A0A023GPV6_DROME Loading...

Uncharacterized protein, isoform J

AlphaFold DB , UniProt , Accession A0A023GPV6, Species DROME (Drosophila melanogaster, Fruit fly), Gene Dmel\CG3632, Length 1,119 aa.

						>A0A023GPV6_DROME|A0A023GPV6|Dmel\CG3632
MSDGSPPPSICFIRAAESYPKSQMEKEDSQLFVPFQELAGESIKYLGRTDDGILALSNYRIFLSKQSTGYETYVPLGLIESVQVRDLFQLIVNCKDASTVRCSFPSAEQCSDWQRRIHLMIGVPESLETLFAFPFYSWTCDVLGSGNGSGIVSAQANGNGLIAKDRCLTLHNGLAKPTANVTASNPLPDPASETISAAMSNRLQRSVRYESDFKNEVARLGFDLKGSWRISTANADFKLCPSYPPKLLVPCCITDEMLHNVANFRGSRRLPAVVWRHQKSGAILARCSQPEVGWLGWRNTRDEQLLKALADACAFDRGEHARHSTCANAKAQPTKGSKETNGQSGLSGKSSPSLDDSSHEELTLDEIKKILIVDARSYTSAVTNRARGGGCECIEYYPCAEIEFMNLGNIHAIRKSFHAVRQLCASSPDDPNWYGQLEKTMWMQHLSGLLGATMTVVHTIEKNGRPVLVHCSDGWDRTPQIVATAQLCLDPYYRTVEGFRVLVEREWLNFGHKFADRSGNGPNSDEVNERCPVFLQWLDLVHQIHRQYPCSFEFSISYLIKLAQHSLSCLFGTFLCNSLRERIENSVFDRTFSVWPFLAETMYRNPLYKHETEKVLWPAHSVRFLYFWSDVYLGSLGNKNGTDLPLLSNERQSGHNGLMAKTRSSEDLTTNELGQSTISRRSSDPNLTVESIVTDCFNANSNSMFDIRSEANNSVSENVQESVKDSKEVELDVTDATEVGPCGRSNNPIPDFHNDQSTASKRDILEVESQTQRRSSLESSQLIPGSVFIFGSSENDKNAVPSESEESLATSQKLNSESGRPFFIFGSSENDQSPVPLKSEDTSDISRALWHGAIETSTDTLIPAEPVQKPNSDNSSRDHITSPTMELVSGDRKLESTSTVQASKISQSYNNLPKVHIRPNAVICPQRVDAFPHHLDLQVPRETTGNPDRCKPEKLAKDANANANANGSLLASDGYNGEESLFISPDLQRFVGQSPFDAPSTGGRIRRNTFGSSYSRDMKFTAENGSAHQFPSSGIISLPPTPFQERAQFTISCPDGLAHGLSEQNIRLHQIVQEHKLREEMLLREIHGMRLALLEKGCPSCNSIVSTNMEHILWRNFLC
					

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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	34.5	Very low	42.1	Very low	252 Å²	252	123.8 Å²	123.8	100%	1.241	78%	0.783	S	S	*	*				0	112.6	0	-73.2	169.4	168.5	0	0	106.7
2	S	36.6	Very low	43.2	Very low	118 Å²	118	128.4 Å²	128.4	83%	0.825	78%	0.783	S	S	*	*			trans	-89.3	130.1	163.2	45.9	0	0	0	0	107.4
3	D	47.3	Very low	45.1	Very low	126 Å²	126	126.8 Å²	126.8	67%	0.674	77%	0.765	S	S	*	*			trans	-70.2	149.3	159.1	68.3	76.9	0	0	0	109.2	S5	D3-S5 PolarHBondContact O-N 3.34Å; D3-S5 WeakPolarHBondContact OD1-CB 3.41Å; D3-S5 PolarHBondContact OD1-N 2.98Å; D3-S5 PolarHBondContact OD1-OG 3.29Å
4	G	44.6	Very low	47.8	Very low	81 Å²	81	129.3 Å²	129.3	84%	0.835	75%	0.754	S	S	*	*			trans	-86.8	31.6	-175.3	0	0	0	0	0	113.4	P6	G4-P6 WeakPolarHBondContact O-CD 3.41Å
5	S	42.4	Very low	50.3	Low	89 Å²	89	120.7 Å²	120.7	62%	0.622	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-60.9	124	-179.8	-66	0	0	0	0	110.3	D3	D3-S5 PolarHBondContact O-N 3.34Å; D3-S5 WeakPolarHBondContact OD1-CB 3.41Å; D3-S5 PolarHBondContact OD1-N 2.98Å; D3-S5 PolarHBondContact OD1-OG 3.29Å
6	P	38.9	Very low	52.6	Low	108 Å²	108	116.2 Å²	116.2	70%	0.701	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-61.7	151.6	166.4	28.5	-33.7	0	0	0	109.1	G4	G4-P6 WeakPolarHBondContact O-CD 3.41Å
7	P	38.1	Very low	54.6	Low	112 Å²	112	116.1 Å²	116.1	73%	0.727	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-55.6	144.8	172.3	26	-34.5	0	0	0	109.5	S9	P7-S9 PolarHBondContact O-N 2.87Å; P7-S9 VanDerWaalsContact O-N 3.15Å
8	P	42.5	Very low	56.3	Low	128 Å²	128	112.9 Å²	112.9	83%	0.831	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-54.4	125.7	-175.1	21.6	-32.9	0	0	0	110	I10	P8-I10 PolarHBondContact O-N 3.23Å
9	S	48.2	Very low	58.2	Low	100 Å²	100	109.4 Å²	109.4	70%	0.699	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-50.7	138.1	178.8	53.1	0	0	0	0	110.3	P7 C11	P7-S9 PolarHBondContact O-N 2.87Å; P7-S9 VanDerWaalsContact O-N 3.15Å; S9-C11 PolarHBondContact O-N 3.34Å
10	I	46.7	Very low	59.8	Low	138 Å²	138	108.6 Å²	108.6	71%	0.708	63%	0.634	S	S	*	*			trans	-35.4	120.9	-178.5	-167.1	169.3	0	0	0	111.5	P8 F12	P8-I10 PolarHBondContact O-N 3.23Å; I10-F12 HydrophobicContact CG2-CE2 4.1Å; I10-F12 HydrophobicContact CG2-CZ 4.42Å; I10-F12 WeakPolarHBondContact O-CD2 3.26Å; I10-F12 PolarHBondContact O-N 3.11Å
11	C	43.1	Very low	61.1	Low	110 Å²	110	107.8 Å²	107.8	74%	0.743	62%	0.623	S	S	*	*			trans	-61.3	108.3	-178.9	-73	0	0	0	0	108.8	S9 I13	S9-C11 PolarHBondContact O-N 3.34Å; C11-I13 PolarHBondContact O-N 3.28Å
12	F	55.8	Low	63.6	Low	179 Å²	179	98.2 Å²	98.2	79%	0.785	58%	0.581	S	S	*	*			trans	-68.3	86.8	167.4	-74.3	-89.4	0	0	0	107.9	I10 R14	I10-F12 HydrophobicContact CG2-CE2 4.1Å; I10-F12 HydrophobicContact CG2-CZ 4.42Å; I10-F12 WeakPolarHBondContact O-CD2 3.26Å; I10-F12 PolarHBondContact O-N 3.11Å; F12-R14 PolarHBondContact O-N 2.87Å
13	I	67.7	Low	66	Low	108 Å²	108	101 Å²	101	55%	0.554	58%	0.581	S	S	*	*			trans	-55.8	120.1	169.6	-53.6	175.9	0	0	0	106.4	C11 E17 S18	C11-I13 PolarHBondContact O-N 3.28Å; I13-E17 WeakPolarHBondContact CA-OE2 3.36Å; I13-E17 HydrophobicContact CG2-CB 3.79Å; I13-S18 WeakPolarHBondContact CG2-OG 3.48Å
14	R	82.9	Confident	68.2	Low	161 Å²	161	98.2 Å²	98.2	61%	0.608	57%	0.565	S	S	*	*			trans	-68.4	154.5	-174	-64.7	179	171	168.7	-3.8	110.4	F12 A16 E17 S18	F12-R14 PolarHBondContact O-N 2.87Å; R14-A16 PolarHBondContact O-N 3.32Å; R14-E17 HydrophobicContact CB-CB 4.45Å; R14-E17 HydrophobicContact CB-CG 4.12Å; R14-E17 WeakPolarHBondContact CD-OE1 3.48Å; R14-E17 PolarHBondContact N-OE2 3.44Å; R14-E17 WeakPolarHBondContact O-CB 3.17Å; R14-E17 PolarHBondContact O-N 2.84Å; R14-S18 PolarHBondContact O-N 3.13Å
15	A	85.7	Confident	70.5	Confident	0 Å²	0	99.7 Å²	99.7	0%	0	55%	0.55	C	S	.	.	H	α-helix	trans	-57.9	-32.7	172.7	0	0	0	0	0	111.8	E17 Y19 S137 W138 D141	A15-E17 VanDerWaalsContact C-N 3.32Å; A15-E17 PolarHBondContact O-N 2.77Å; A15-Y19 CarbonylContact O-C 3.59Å; A15-Y19 WeakPolarHBondContact O-CA 3.45Å; A15-Y19 WeakPolarHBondContact O-CB 3.44Å; A15-Y19 PolarHBondContact O-N 2.62Å; A15-S137 VanDerWaalsContact CB-C 3.48Å; A15-S137 WeakPolarHBondContact CB-O 3.25Å; A15-S137 WeakPolarHBondContact CB-OG 3.27Å; A15-W138 HydrophobicContact CB-CB 4.15Å; A15-W138 HydrophobicContact CB-CD2 3.84Å; A15-W138 HydrophobicContact CB-CE3 4.49Å; A15-W138 HydrophobicContact CB-CG 3.62Å; A15-W138 PolarHBondContact O-NE1 2.82Å; A15-D141 HydrophobicContact CB-CB 4.12Å; A15-D141 VanDerWaalsContact CB-OD2 3.32Å; A15-D141 WeakPolarHBondContact CB-OD2 3.31Å; A15-D141 PolarHBondContact N-OD2 3Å
16	A	85.9	Confident	72.9	Confident	49 Å²	49	99.8 Å²	99.8	41%	0.405	54%	0.539	S	S	.	.	H	α-helix	trans	-70.9	-20.8	174.1	0	0	0	0	0	114.7	R14 P20 W138	R14-A16 PolarHBondContact O-N 3.32Å; A16-P20 WeakPolarHBondContact O-CA 3.45Å; A16-W138 HydrophobicContact CB-CH2 3.73Å; A16-W138 HydrophobicContact CB-CZ2 3.88Å
17	E	87.2	Confident	75.4	Confident	115 Å²	115	98.1 Å²	98.1	54%	0.537	52%	0.522	S	S	.	.	H	α-helix	trans	-89	-39.2	176.8	-68.9	154.9	-163.9	0	0	110.8	I13 R14 A15	I13-E17 WeakPolarHBondContact CA-OE2 3.36Å; I13-E17 HydrophobicContact CG2-CB 3.79Å; R14-E17 HydrophobicContact CB-CB 4.45Å; R14-E17 HydrophobicContact CB-CG 4.12Å; R14-E17 WeakPolarHBondContact CD-OE1 3.48Å; R14-E17 PolarHBondContact N-OE2 3.44Å; R14-E17 WeakPolarHBondContact O-CB 3.17Å; R14-E17 PolarHBondContact O-N 2.84Å; A15-E17 VanDerWaalsContact C-N 3.32Å; A15-E17 PolarHBondContact O-N 2.77Å
18	S	86.2	Confident	77.7	Confident	58 Å²	58	94.6 Å²	94.6	41%	0.406	50%	0.497	S	S	.	.	H	α-helix	trans	-77.2	-36.8	176.4	-58.6	0	0	0	0	113.2	I13 R14	I13-S18 WeakPolarHBondContact CG2-OG 3.48Å; R14-S18 PolarHBondContact O-N 3.13Å
19	Y	91.6	Very high	79.8	Confident	47 Å²	47	93.5 Å²	93.5	18%	0.184	49%	0.493	C	S	.	.	S	Bend	trans	-135.7	67.6	-173	-53.2	-73.3	0	0	0	110.4	A15 K21 E128 P134 W138	A15-Y19 CarbonylContact O-C 3.59Å; A15-Y19 WeakPolarHBondContact O-CA 3.45Å; A15-Y19 WeakPolarHBondContact O-CB 3.44Å; A15-Y19 PolarHBondContact O-N 2.62Å; Y19-K21 PolarHBondContact O-N 3.17Å; Y19-E128 HydrophobicContact CE1-CB 4.39Å; Y19-P134 HydrophobicContact CD1-CB 4.23Å; Y19-P134 HydrophobicContact CD1-CG 3.65Å; Y19-P134 HydrophobicContact CE1-CG 4Å; Y19-P134 HydrophobicContact CG-CB 4.1Å; Y19-P134 HydrophobicContact CG-CG 4.04Å; Y19-W138 WeakPolarHBondContact O-CZ2 3.26Å; Y19-W138 PolarHBondContact O-NE1 2.82Å
20	P	90	Very high	81.7	Confident	92 Å²	92	95.9 Å²	95.9	60%	0.597	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-60.7	131.4	-179.7	25.1	-34.5	0	0	0	111.4	A16 S22	A16-P20 WeakPolarHBondContact O-CA 3.45Å; P20-S22 PolarHBondContact O-N 2.87Å
21	K	87.9	Confident	83.7	Confident	92 Å²	92	89.6 Å²	89.6	40%	0.4	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-62.7	133.2	174.7	-72.5	-156.5	176.5	-155.9	0	110	Y19 E37 E41 W138	Y19-K21 PolarHBondContact O-N 3.17Å; K21-E37 IonicContact NZ-OE2 2.73Å; K21-E37 PolarHBondContact NZ-OE2 3.39Å; K21-E41 WeakPolarHBondContact CE-O 3.29Å; K21-E41 PolarHBondContact NZ-O 3.15Å; K21-W138 HydrophobicContact CG-CH2 4.13Å; K21-W138 HydrophobicContact CG-CZ2 3.88Å
22	S	85.6	Confident	85.9	Confident	52 Å²	52	91 Å²	91	36%	0.364	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-68.3	151.6	173.1	-58.2	0	0	0	0	110.9	P20 S42 K44	P20-S22 PolarHBondContact O-N 2.87Å; S22-S42 PolarHBondContact N-OG 3.4Å; S22-K44 WeakPolarHBondContact OG-CE 3.29Å
23	Q	88.6	Confident	87.4	Confident	177 Å²	177	84.7 Å²	84.7	83%	0.827	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-69.3	135.4	167.2	-177.9	171.3	-12.2	0	0	109.5
24	M	93.4	Very high	88.3	Confident	66 Å²	66	81.8 Å²	81.8	33%	0.325	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-78.6	123.2	175.3	174.7	174.3	38.2	0	0	110.7	K26 V33 I43 L46	M24-K26 HydrophobicContact CG-CG 4.11Å; M24-K26 HydrophobicContact SD-CG 4.21Å; M24-V33 HydrophobicContact CE-CG2 4.24Å; M24-V33 HydrophobicContact SD-CG2 3.98Å; M24-I43 WeakPolarHBondContact CA-O 3.48Å; M24-I43 VanDerWaalsContact CB-O 3.3Å; M24-I43 WeakPolarHBondContact CB-O 3.28Å; M24-I43 HydrophobicContact CG-CG2 4.12Å; M24-I43 HydrophobicContact SD-CB 4.24Å; M24-I43 HydrophobicContact SD-CG2 3.83Å; M24-L46 HydrophobicContact SD-CB 4.11Å; M24-L46 HydrophobicContact SD-CD2 3.96Å
25	E	93.2	Very high	88.6	Confident	112 Å²	112	75 Å²	75	52%	0.523	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	134.6	164.8	-63.1	-179.7	-129.9	0	0	109.7	K44 Y45 L46	E25-K44 PolarHBondContact N-O 2.7Å; E25-Y45 HydrophobicContact CB-CD1 3.91Å; E25-Y45 HydrophobicContact CB-CE1 4.09Å; E25-Y45 HydrophobicContact CG-CE1 4.2Å; E25-Y45 WeakPolarHBondContact O-CA 3.28Å; E25-Y45 WeakPolarHBondContact OE1-CE1 3.34Å; E25-Y45 PolarHBondContact OE1-OH 3.47Å; E25-Y45 WeakPolarHBondContact OE2-CE1 3.42Å; E25-L46 PolarHBondContact O-N 2.93Å
26	K	91.9	Very high	88.9	Confident	92 Å²	92	82.7 Å²	82.7	40%	0.4	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	136.6	175.7	-59.6	-170.9	-176.8	-178.1	0	110.2	M24 D28 L31 L46	M24-K26 HydrophobicContact CG-CG 4.11Å; M24-K26 HydrophobicContact SD-CG 4.21Å; K26-D28 VanDerWaalsContact C-N 3.3Å; K26-L31 WeakPolarHBondContact CE-O 3.14Å; K26-L31 PolarHBondContact NZ-O 3.23Å; K26-L46 WeakPolarHBondContact CA-O 3.42Å; K26-L46 HydrophobicContact CD-CD2 4.28Å; K26-L46 HydrophobicContact CG-CB 4.34Å; K26-L46 HydrophobicContact CG-CD2 4.29Å
27	E	91.1	Very high	89.3	Confident	72 Å²	72	82.9 Å²	82.9	34%	0.336	42%	0.422	S	S	.	.	S	Bend	trans	-72.9	-26.5	172.5	-66.3	173.5	174.3	0	0	112.4	L46 G47 R48 W113 R116	E27-L46 PolarHBondContact N-O 3.12Å; E27-G47 WeakPolarHBondContact OE2-CA 3.34Å; E27-R48 PolarHBondContact OE2-N 3.01Å; E27-R48 VanDerWaalsContact OE2-N 3.16Å; E27-W113 PolarHBondContact OE1-NE1 3Å; E27-R116 IonicContact OE1-CZ 2.72Å; E27-R116 IonicContact OE1-NH1 3.58Å; E27-R116 PolarHBondContact OE1-NH1 2.93Å; E27-R116 IonicContact OE1-NH2 3.4Å; E27-R116 PolarHBondContact OE1-NH2 3.24Å; E27-R116 VanDerWaalsContact OE1-NH2 3.1Å
28	D	86.8	Confident	89.6	Confident	38 Å²	38	80.1 Å²	80.1	20%	0.203	41%	0.411	C	S	.	.	S	Bend	trans	-141.4	129.8	177.8	168.1	16.3	0	0	0	110.1	K26 Q30 L31 R48	K26-D28 VanDerWaalsContact C-N 3.3Å; D28-Q30 PolarHBondContact O-N 2.93Å; D28-Q30 VanDerWaalsContact O-N 3.15Å; D28-Q30 WeakPolarHBondContact OD1-CB 3.47Å; D28-Q30 WeakPolarHBondContact OD1-CG 3.41Å; D28-Q30 PolarHBondContact OD1-N 2.75Å; D28-L31 HydrophobicContact CB-CD1 4.03Å; D28-L31 HydrophobicContact CB-CG 4.02Å; D28-L31 WeakPolarHBondContact O-CB 3.37Å; D28-L31 PolarHBondContact O-N 3.06Å; D28-L31 VanDerWaalsContact O-N 3.09Å; D28-R48 IonicContact OD2-CZ 3.4Å; D28-R48 IonicContact OD2-NE 3.24Å; D28-R48 PolarHBondContact OD2-NE 3.01Å; D28-R48 IonicContact OD2-NH2 2.7Å; D28-R48 PolarHBondContact OD2-NH2 3.48Å
29	S	85.6	Confident	90	Very high	106 Å²	106	78.9 Å²	78.9	74%	0.741	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-31.7	174.6	61.5	0	0	0	0	114.6	L31	S29-L31 VanDerWaalsContact C-N 3.32Å
30	Q	88.7	Confident	90.1	Very high	150 Å²	150	76.9 Å²	76.9	70%	0.701	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-14.9	-177.7	-56.1	-178.3	16.2	0	0	113.2	D28 F32	D28-Q30 PolarHBondContact O-N 2.93Å; D28-Q30 VanDerWaalsContact O-N 3.15Å; D28-Q30 WeakPolarHBondContact OD1-CB 3.47Å; D28-Q30 WeakPolarHBondContact OD1-CG 3.41Å; D28-Q30 PolarHBondContact OD1-N 2.75Å; Q30-F32 PolarHBondContact O-N 3.18Å
31	L	89.4	Confident	90.3	Very high	5 Å²	5	72.5 Å²	72.5	3%	0.026	37%	0.369	C	S	.	.			trans	-68.6	127.2	179.2	-66.8	170.9	0	0	0	110.6	K26 D28 S29 L46 R48 I53	K26-L31 WeakPolarHBondContact CE-O 3.14Å; K26-L31 PolarHBondContact NZ-O 3.23Å; D28-L31 HydrophobicContact CB-CD1 4.03Å; D28-L31 HydrophobicContact CB-CG 4.02Å; D28-L31 WeakPolarHBondContact O-CB 3.37Å; D28-L31 PolarHBondContact O-N 3.06Å; D28-L31 VanDerWaalsContact O-N 3.09Å; S29-L31 VanDerWaalsContact C-N 3.32Å; L31-L46 HydrophobicContact CB-CD2 3.7Å; L31-L46 HydrophobicContact CB-CG 3.94Å; L31-L46 HydrophobicContact CD1-CG 4.26Å; L31-R48 HydrophobicContact CD1-CG 4.21Å; L31-R48 HydrophobicContact CD2-CG 3.89Å; L31-I53 HydrophobicContact CD2-CD1 4.08Å; L31-I53 HydrophobicContact CD2-CG1 4.16Å
32	F	88.4	Confident	90.6	Very high	139 Å²	139	68.2 Å²	68.2	61%	0.61	35%	0.351	S	S	*	.			trans	-108.3	159.7	169.6	63.1	-87.7	0	0	0	110	Q30 P34	Q30-F32 PolarHBondContact O-N 3.18Å; F32-P34 HydrophobicContact CE2-CB 4.27Å; F32-P34 WeakPolarHBondContact O-CD 3.36Å
33	V	87	Confident	91.1	Very high	47 Å²	47	65.9 Å²	65.9	29%	0.285	33%	0.334	S	S	.	.			trans	-80	120.4	174.6	176.8	0	0	0	0	108	M24 F35 I43 L46	M24-V33 HydrophobicContact CE-CG2 4.24Å; M24-V33 HydrophobicContact SD-CG2 3.98Å; V33-F35 HydrophobicContact CG1-CD1 4.27Å; V33-F35 HydrophobicContact CG1-CE1 4.24Å; V33-F35 HydrophobicContact CG1-CG 4.48Å; V33-F35 HydrophobicContact CG1-CZ 4.47Å; V33-F35 VanDerWaalsContact CG1-O 3.29Å; V33-F35 WeakPolarHBondContact CG1-O 3.3Å; V33-I43 HydrophobicContact CB-CD1 4Å; V33-I43 HydrophobicContact CG1-CD1 3.24Å; V33-I43 HydrophobicContact CG2-CD1 3.5Å; V33-I43 VanDerWaalsContact CG2-CD1 3.5Å; V33-L46 HydrophobicContact CG2-CD2 4.25Å
34	P	87	Confident	91.4	Very high	48 Å²	48	60.5 Å²	60.5	31%	0.312	31%	0.308	S	S	.	.			trans	-87.4	-10.7	-174.7	33.4	-34.2	0	0	0	114.1	F32 F62	F32-P34 HydrophobicContact CE2-CB 4.27Å; F32-P34 WeakPolarHBondContact O-CD 3.36Å; P34-F62 HydrophobicContact CB-CE1 4.49Å; P34-F62 HydrophobicContact CB-CZ 4.34Å; P34-F62 HydrophobicContact CG-CD1 4.06Å; P34-F62 HydrophobicContact CG-CE1 3.28Å; P34-F62 HydrophobicContact CG-CE2 4.47Å; P34-F62 HydrophobicContact CG-CZ 3.5Å; P34-F62 VanDerWaalsContact CG-CZ 3.5Å
35	F	90.1	Very high	91.5	Very high	19 Å²	19	59.8 Å²	59.8	8%	0.083	30%	0.302	C	S	.	.	S	Bend	trans	-121.7	158.4	-176.5	65.2	-91.7	0	0	0	112.6	V33 E37 I43 A55 F62 Y73	V33-F35 HydrophobicContact CG1-CD1 4.27Å; V33-F35 HydrophobicContact CG1-CE1 4.24Å; V33-F35 HydrophobicContact CG1-CG 4.48Å; V33-F35 HydrophobicContact CG1-CZ 4.47Å; V33-F35 VanDerWaalsContact CG1-O 3.29Å; V33-F35 WeakPolarHBondContact CG1-O 3.3Å; F35-E37 PolarHBondContact O-N 2.99Å; F35-I43 HydrophobicContact CE1-CD1 4.04Å; F35-I43 HydrophobicContact CE2-CD1 4.06Å; F35-I43 HydrophobicContact CZ-CD1 3.5Å; F35-I43 HydrophobicContact CZ-CG1 3.94Å; F35-A55 HydrophobicContact CE1-CB 3.99Å; F35-A55 HydrophobicContact CZ-CB 4.46Å; F35-F62 HydrophobicContact CD1-CB 3.81Å; F35-F62 AromaticContact CD1-CD1 3.78Å; F35-F62 HydrophobicContact CD1-CD1 3.78Å; F35-F62 AromaticContact CD1-CD2 3.67Å; F35-F62 HydrophobicContact CD1-CD2 3.67Å; F35-F62 HydrophobicContact CD1-CE1 4.27Å; F35-F62 HydrophobicContact CD1-CE2 4.1Å; F35-F62 AromaticContact CD1-CG 3.44Å; F35-F62 HydrophobicContact CD1-CG 3.44Å; F35-F62 VanDerWaalsContact CD1-CG 3.44Å; F35-F62 HydrophobicContact CD1-CZ 4.38Å; F35-F62 HydrophobicContact CE1-CB 3.38Å; F35-F62 AromaticContact CE1-CD1 3.82Å; F35-F62 HydrophobicContact CE1-CD1 3.82Å; F35-F62 HydrophobicContact CE1-CD2 4.17Å; F35-F62 AromaticContact CE1-CG 3.51Å; F35-F62 HydrophobicContact CE1-CG 3.51Å; F35-F62 HydrophobicContact CG-CD2 4.32Å; F35-F62 HydrophobicContact CG-CG 4.45Å; F35-F62 HydrophobicContact CZ-CB 4Å; F35-Y73 HydrophobicContact CB-CE1 3.86Å; F35-Y73 WeakPolarHBondContact CB-OH 3.39Å; F35-Y73 HydrophobicContact CD1-CE1 4.41Å; F35-Y73 HydrophobicContact CD2-CE1 4.32Å; F35-Y73 AromaticContact CG-CE1 3.96Å; F35-Y73 HydrophobicContact CG-CE1 3.96Å
36	Q	91.7	Very high	91.6	Very high	161 Å²	161	54.5 Å²	54.5	75%	0.752	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-77.2	123.2	175	-178.6	53.9	60.7	0	0	111.2	R60	Q36-R60 PolarHBondContact O-NH2 3.49Å
37	E	93.4	Very high	91.8	Very high	52 Å²	52	50.1 Å²	50.1	24%	0.243	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-61.7	139.6	167.5	-70.5	-168.9	146.6	0	0	110.8	K21 F35 E41 S42 I43	K21-E37 IonicContact NZ-OE2 2.73Å; K21-E37 PolarHBondContact NZ-OE2 3.39Å; F35-E37 PolarHBondContact O-N 2.99Å; E37-E41 WeakPolarHBondContact CA-OE2 2.96Å; E37-E41 HydrophobicContact CB-CB 4.18Å; E37-E41 HydrophobicContact CB-CG 4.48Å; E37-S42 VanDerWaalsContact OE1-CA 3.31Å; E37-S42 WeakPolarHBondContact OE1-CA 3.3Å; E37-I43 HydrophobicContact CG-CD1 4.28Å; E37-I43 PolarHBondContact OE1-N 3.1Å
38	L	94.4	Very high	91.9	Very high	58 Å²	58	51.3 Å²	51.3	30%	0.304	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-71	165.8	167	-59.3	178.5	0	0	0	111	G40 E41 Y59 F131 F135 L570	L38-G40 PolarHBondContact O-N 3.04Å; L38-E41 HydrophobicContact CB-CB 4.07Å; L38-E41 PolarHBondContact N-OE2 3.18Å; L38-E41 VanDerWaalsContact O-CB 3.31Å; L38-E41 WeakPolarHBondContact O-CB 3.28Å; L38-E41 PolarHBondContact O-N 3.2Å; L38-Y59 HydrophobicContact CD1-CD1 3.75Å; L38-Y59 HydrophobicContact CD1-CE1 3.64Å; L38-F131 HydrophobicContact CB-CE1 4.38Å; L38-F131 HydrophobicContact CB-CZ 4.22Å; L38-F131 HydrophobicContact CD1-CE1 4.02Å; L38-F135 HydrophobicContact CB-CD2 4.37Å; L38-F135 HydrophobicContact CB-CE2 4.39Å; L38-L570 HydrophobicContact CD1-CD1 3.96Å
39	A	93.7	Very high	92.3	Very high	32 Å²	32	50 Å²	50	26%	0.264	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	131.5	169.3	0	0	0	0	0	110.1	E41 F131 F135 W138 T139	A39-E41 PolarHBondContact O-N 3Å; A39-E41 VanDerWaalsContact O-N 3.11Å; A39-F131 WeakPolarHBondContact O-CZ 3.47Å; A39-F135 HydrophobicContact CB-CD2 4.17Å; A39-F135 HydrophobicContact CB-CE2 4.38Å; A39-F135 WeakPolarHBondContact O-CA 3.27Å; A39-F135 WeakPolarHBondContact O-CD2 3.35Å; A39-W138 HydrophobicContact CB-CB 4.06Å; A39-T139 VanDerWaalsContact CB-OG1 3.27Å; A39-T139 WeakPolarHBondContact CB-OG1 3.24Å
40	G	93.4	Very high	92.6	Very high	4 Å²	4	49.4 Å²	49.4	4%	0.041	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	-4.3	-176.1	0	0	0	0	0	115.7	L38 N58	L38-G40 PolarHBondContact O-N 3.04Å; G40-N58 PolarHBondContact O-ND2 3.21Å
41	E	95.6	Very high	92.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.22	C	C	.	.			trans	-72.9	139.4	170.4	-171.6	172	-160.1	0	0	110.1	K21 E37 L38 A39 S57 N58 R60 F131	K21-E41 WeakPolarHBondContact CE-O 3.29Å; K21-E41 PolarHBondContact NZ-O 3.15Å; E37-E41 WeakPolarHBondContact CA-OE2 2.96Å; E37-E41 HydrophobicContact CB-CB 4.18Å; E37-E41 HydrophobicContact CB-CG 4.48Å; L38-E41 HydrophobicContact CB-CB 4.07Å; L38-E41 PolarHBondContact N-OE2 3.18Å; L38-E41 VanDerWaalsContact O-CB 3.31Å; L38-E41 WeakPolarHBondContact O-CB 3.28Å; L38-E41 PolarHBondContact O-N 3.2Å; A39-E41 PolarHBondContact O-N 3Å; A39-E41 VanDerWaalsContact O-N 3.11Å; E41-S57 VanDerWaalsContact OE1-CB 3.31Å; E41-S57 WeakPolarHBondContact OE1-CB 3.32Å; E41-S57 PolarHBondContact OE1-OG 2.81Å; E41-N58 VanDerWaalsContact CA-OD1 3.25Å; E41-N58 WeakPolarHBondContact CA-OD1 3.44Å; E41-R60 WeakPolarHBondContact OE1-CG 3.48Å; E41-R60 IonicContact OE1-CZ 2.78Å; E41-R60 IonicContact OE1-NE 2.69Å; E41-R60 PolarHBondContact OE1-NE 2.88Å; E41-R60 IonicContact OE1-NH2 3.44Å; E41-R60 IonicContact OE2-CZ 3.37Å; E41-R60 IonicContact OE2-NE 3.64Å; E41-R60 PolarHBondContact OE2-NE 2.99Å; E41-R60 IonicContact OE2-NH2 2.84Å; E41-R60 PolarHBondContact OE2-NH2 3.16Å; E41-F131 HydrophobicContact CB-CE2 4.09Å; E41-F131 HydrophobicContact CB-CZ 3.84Å
42	S	94.3	Very high	92.8	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.021	22%	0.221	C	C	.	.			trans	-140.3	122.7	170.4	65.1	0	0	0	0	109.5	S22 E37 K44 S57 N58	S22-S42 PolarHBondContact N-OG 3.4Å; E37-S42 VanDerWaalsContact OE1-CA 3.31Å; E37-S42 WeakPolarHBondContact OE1-CA 3.3Å; S42-K44 PolarHBondContact O-N 2.93Å; S42-S57 WeakPolarHBondContact O-CA 3.39Å; S42-S57 WeakPolarHBondContact O-CB 3.48Å; S42-N58 PolarHBondContact N-OD1 2.91Å; S42-N58 PolarHBondContact O-N 3.01Å; S42-N58 VanDerWaalsContact O-N 3.14Å; S42-N58 PolarHBondContact O-OD1 3.26Å
43	I	95.1	Very high	93.1	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.015	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	124.6	172.5	-66.6	162.4	0	0	0	109.6	M24 V33 F35 E37 Y45 L46 A55	M24-I43 WeakPolarHBondContact CA-O 3.48Å; M24-I43 VanDerWaalsContact CB-O 3.3Å; M24-I43 WeakPolarHBondContact CB-O 3.28Å; M24-I43 HydrophobicContact CG-CG2 4.12Å; M24-I43 HydrophobicContact SD-CB 4.24Å; M24-I43 HydrophobicContact SD-CG2 3.83Å; V33-I43 HydrophobicContact CB-CD1 4Å; V33-I43 HydrophobicContact CG1-CD1 3.24Å; V33-I43 HydrophobicContact CG2-CD1 3.5Å; V33-I43 VanDerWaalsContact CG2-CD1 3.5Å; F35-I43 HydrophobicContact CE1-CD1 4.04Å; F35-I43 HydrophobicContact CE2-CD1 4.06Å; F35-I43 HydrophobicContact CZ-CD1 3.5Å; F35-I43 HydrophobicContact CZ-CG1 3.94Å; E37-I43 HydrophobicContact CG-CD1 4.28Å; E37-I43 PolarHBondContact OE1-N 3.1Å; I43-Y45 WeakPolarHBondContact CG2-O 3.47Å; I43-L46 HydrophobicContact CG2-CB 4.42Å; I43-A55 HydrophobicContact CG2-CB 4.44Å
44	K	94.8	Very high	93.5	Very high	64 Å²	64	36.6 Å²	36.6	28%	0.278	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-41.5	176.8	-63.3	-159.6	-176.2	-176.4	0	111.8	S22 E25 S42 L56 M120	S22-K44 WeakPolarHBondContact OG-CE 3.29Å; E25-K44 PolarHBondContact N-O 2.7Å; S42-K44 PolarHBondContact O-N 2.93Å; K44-L56 PolarHBondContact N-O 2.91Å; K44-M120 HydrophobicContact CD-CE 3.8Å; K44-M120 HydrophobicContact CD-SD 3.87Å; K44-M120 HydrophobicContact CG-CE 4.4Å
45	Y	95.9	Very high	93.9	Very high	51 Å²	51	34.3 Å²	34.3	20%	0.2	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	137.5	-177.3	-57.8	-81.3	0	0	0	111.3	E25 I43 A55 L56 R116	E25-Y45 HydrophobicContact CB-CD1 3.91Å; E25-Y45 HydrophobicContact CB-CE1 4.09Å; E25-Y45 HydrophobicContact CG-CE1 4.2Å; E25-Y45 WeakPolarHBondContact O-CA 3.28Å; E25-Y45 WeakPolarHBondContact OE1-CE1 3.34Å; E25-Y45 PolarHBondContact OE1-OH 3.47Å; E25-Y45 WeakPolarHBondContact OE2-CE1 3.42Å; I43-Y45 WeakPolarHBondContact CG2-O 3.47Å; Y45-A55 CarbonylContact O-C 3.53Å; Y45-A55 WeakPolarHBondContact O-CA 3.38Å; Y45-L56 HydrophobicContact CD2-CD2 3.87Å; Y45-L56 HydrophobicContact CD2-CG 4.28Å; Y45-L56 PolarHBondContact N-O 2.72Å; Y45-L56 VanDerWaalsContact N-O 3.13Å; Y45-L56 PolarHBondContact O-N 2.64Å; Y45-R116 HydrophobicContact CD1-CG 4.32Å; Y45-R116 HydrophobicContact CD2-CB 4.36Å; Y45-R116 HydrophobicContact CD2-CG 4.38Å; Y45-R116 HydrophobicContact CE1-CG 4.33Å; Y45-R116 HydrophobicContact CE2-CB 4.49Å; Y45-R116 HydrophobicContact CE2-CG 4.38Å; Y45-R116 HydrophobicContact CG-CG 4.37Å
46	L	96	Very high	94.2	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	122.8	176.8	-179	65.5	0	0	0	110.2	M24 E25 K26 E27 L31 V33 I43 I53 A55	M24-L46 HydrophobicContact SD-CB 4.11Å; M24-L46 HydrophobicContact SD-CD2 3.96Å; E25-L46 PolarHBondContact O-N 2.93Å; K26-L46 WeakPolarHBondContact CA-O 3.42Å; K26-L46 HydrophobicContact CD-CD2 4.28Å; K26-L46 HydrophobicContact CG-CB 4.34Å; K26-L46 HydrophobicContact CG-CD2 4.29Å; E27-L46 PolarHBondContact N-O 3.12Å; L31-L46 HydrophobicContact CB-CD2 3.7Å; L31-L46 HydrophobicContact CB-CG 3.94Å; L31-L46 HydrophobicContact CD1-CG 4.26Å; V33-L46 HydrophobicContact CG2-CD2 4.25Å; I43-L46 HydrophobicContact CG2-CB 4.42Å; L46-I53 HydrophobicContact CD1-CG2 3.63Å; L46-A55 HydrophobicContact CD1-CB 3.73Å
47	G	94.9	Very high	94.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	-179.2	-171.3	0	0	0	0	0	114.6	E27 I53 L54	E27-G47 WeakPolarHBondContact OE2-CA 3.34Å; G47-I53 WeakPolarHBondContact O-CA 3.49Å; G47-L54 PolarHBondContact N-O 3.24Å; G47-L54 PolarHBondContact O-N 2.7Å
48	R	94.1	Very high	94.5	Very high	97 Å²	97	25.4 Å²	25.4	37%	0.366	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	145	-178.1	-66.7	179	-176.9	-88.7	5.3	111.4	E27 D28 L31 G52 F104	E27-R48 PolarHBondContact OE2-N 3.01Å; E27-R48 VanDerWaalsContact OE2-N 3.16Å; D28-R48 IonicContact OD2-CZ 3.4Å; D28-R48 IonicContact OD2-NE 3.24Å; D28-R48 PolarHBondContact OD2-NE 3.01Å; D28-R48 IonicContact OD2-NH2 2.7Å; D28-R48 PolarHBondContact OD2-NH2 3.48Å; L31-R48 HydrophobicContact CD1-CG 4.21Å; L31-R48 HydrophobicContact CD2-CG 3.89Å; R48-G52 WeakPolarHBondContact CA-O 3.41Å; R48-F104 WeakPolarHBondContact O-CD1 3.47Å; R48-F104 WeakPolarHBondContact O-CE1 3.42Å
49	T	94	Very high	94.6	Very high	11 Å²	11	23.5 Å²	23.5	7%	0.067	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	168.7	164	55.2	0	0	0	0	108.5	D51 G52 L54 L63 C102 S103 F104	T49-D51 PolarHBondContact O-N 3.18Å; T49-D51 VanDerWaalsContact O-N 3.1Å; T49-G52 PolarHBondContact N-O 3.15Å; T49-G52 PolarHBondContact O-N 3.49Å; T49-G52 WeakPolarHBondContact OG1-CA 3Å; T49-G52 PolarHBondContact OG1-N 3.34Å; T49-G52 PolarHBondContact OG1-O 3.04Å; T49-L54 HydrophobicContact CG2-CB 3.85Å; T49-L63 HydrophobicContact CG2-CD1 4.06Å; T49-C102 HydrophobicContact CG2-CB 4Å; T49-S103 WeakPolarHBondContact CA-O 3.45Å; T49-S103 VanDerWaalsContact CB-O 3.3Å; T49-S103 WeakPolarHBondContact CB-O 3.35Å; T49-F104 HydrophobicContact CG2-CD1 4.4Å; T49-F104 HydrophobicContact CG2-CE1 3.83Å; T49-F104 HydrophobicContact CG2-CE2 4.49Å; T49-F104 HydrophobicContact CG2-CZ 3.9Å
50	D	92.8	Very high	94.7	Very high	93 Å²	93	23.3 Å²	23.3	50%	0.497	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-30.8	176	-70.8	-43.2	0	0	0	112.9	S103 F104 P105	D50-S103 PolarHBondContact N-O 3.27Å; D50-S103 WeakPolarHBondContact OD2-CB 3.42Å; D50-F104 VanDerWaalsContact OD1-C 3.29Å; D50-F104 WeakPolarHBondContact OD2-CA 3.12Å; D50-F104 PolarHBondContact OD2-N 3.15Å; D50-P105 WeakPolarHBondContact OD1-CA 3.38Å; D50-P105 WeakPolarHBondContact OD1-CD 3.46Å; D50-P105 VanDerWaalsContact OD1-CG 3.3Å; D50-P105 WeakPolarHBondContact OD1-CG 3.42Å
51	D	90.3	Very high	94.8	Very high	46 Å²	46	23.3 Å²	23.3	25%	0.246	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.9	21.5	-175.2	-174.1	28.2	0	0	0	112.3	T49 K65 Q66 S67	T49-D51 PolarHBondContact O-N 3.18Å; T49-D51 VanDerWaalsContact O-N 3.1Å; D51-K65 CarbonylContact O-C 3.22Å; D51-K65 VanDerWaalsContact O-CA 3.28Å; D51-K65 WeakPolarHBondContact O-CA 3.45Å; D51-K65 VanDerWaalsContact OD2-CB 3.29Å; D51-K65 WeakPolarHBondContact OD2-CB 3.37Å; D51-K65 WeakPolarHBondContact OD2-CG 3.5Å; D51-Q66 PolarHBondContact O-N 2.8Å; D51-Q66 PolarHBondContact OD1-N 3Å; D51-S67 VanDerWaalsContact CG-OG 3.25Å; D51-S67 WeakPolarHBondContact OD1-CB 3.33Å; D51-S67 PolarHBondContact OD1-N 2.94Å; D51-S67 PolarHBondContact OD1-OG 2.98Å; D51-S67 WeakPolarHBondContact OD2-CB 3.29Å; D51-S67 PolarHBondContact OD2-OG 3.44Å
52	G	93.1	Very high	94.8	Very high	4 Å²	4	23.3 Å²	23.3	4%	0.041	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.8	-131.9	176.3	0	0	0	0	0	117.3	R48 T49	R48-G52 WeakPolarHBondContact CA-O 3.41Å; T49-G52 PolarHBondContact N-O 3.15Å; T49-G52 PolarHBondContact O-N 3.49Å; T49-G52 WeakPolarHBondContact OG1-CA 3Å; T49-G52 PolarHBondContact OG1-N 3.34Å; T49-G52 PolarHBondContact OG1-O 3.04Å
53	I	93.7	Very high	94.8	Very high	18 Å²	18	23.3 Å²	23.3	9%	0.092	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	133.4	-170.4	-60.2	177.8	0	0	0	109.2	L31 L46 G47 L63 S64	L31-I53 HydrophobicContact CD2-CD1 4.08Å; L31-I53 HydrophobicContact CD2-CG1 4.16Å; L46-I53 HydrophobicContact CD1-CG2 3.63Å; G47-I53 WeakPolarHBondContact O-CA 3.49Å; I53-L63 WeakPolarHBondContact O-CA 3.14Å; I53-S64 PolarHBondContact O-N 3.49Å
54	L	95.4	Very high	94.7	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.021	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	133.1	167.6	-179.2	63.4	0	0	0	108.9	G47 T49 I61 F62 L63 L90 F104 W113	G47-L54 PolarHBondContact N-O 3.24Å; G47-L54 PolarHBondContact O-N 2.7Å; T49-L54 HydrophobicContact CG2-CB 3.85Å; L54-I61 HydrophobicContact CD1-CB 4.4Å; L54-F62 WeakPolarHBondContact CA-O 3.45Å; L54-F62 WeakPolarHBondContact CD1-O 3.15Å; L54-L63 HydrophobicContact CD1-CB 4.25Å; L54-L90 HydrophobicContact CD2-CD2 4.4Å; L54-F104 HydrophobicContact CD2-CE1 4.45Å; L54-F104 HydrophobicContact CD2-CZ 3.71Å; L54-W113 HydrophobicContact CB-CH2 4.43Å; L54-W113 HydrophobicContact CD2-CD2 3.63Å; L54-W113 HydrophobicContact CD2-CE3 3.36Å; L54-W113 HydrophobicContact CD2-CG 4.15Å; L54-W113 HydrophobicContact CD2-CH2 4.41Å; L54-W113 HydrophobicContact CD2-CZ3 3.78Å; L54-W113 HydrophobicContact CG-CD2 4.34Å; L54-W113 HydrophobicContact CG-CE3 3.87Å; L54-W113 HydrophobicContact CG-CH2 4.09Å; L54-W113 HydrophobicContact CG-CZ3 3.71Å; L54-W113 WeakPolarHBondContact O-CH2 3.43Å
55	A	96	Very high	94.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	147.1	173.4	0	0	0	0	0	110.4	F35 I43 Y45 L46 I61 F62	F35-A55 HydrophobicContact CE1-CB 3.99Å; F35-A55 HydrophobicContact CZ-CB 4.46Å; I43-A55 HydrophobicContact CG2-CB 4.44Å; Y45-A55 CarbonylContact O-C 3.53Å; Y45-A55 WeakPolarHBondContact O-CA 3.38Å; L46-A55 HydrophobicContact CD1-CB 3.73Å; A55-I61 CarbonylContact O-C 3.55Å; A55-I61 VanDerWaalsContact O-CA 3.27Å; A55-I61 WeakPolarHBondContact O-CA 3.4Å; A55-F62 HydrophobicContact CB-CB 4.34Å; A55-F62 HydrophobicContact CB-CD1 4.38Å; A55-F62 PolarHBondContact N-O 3.37Å; A55-F62 PolarHBondContact O-N 3.14Å
56	L	96.6	Very high	94	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	115.3	179.3	166.1	60.6	0	0	0	109	K44 Y45 I61 L76 W113 R116 I117 M120	K44-L56 PolarHBondContact N-O 2.91Å; Y45-L56 HydrophobicContact CD2-CD2 3.87Å; Y45-L56 HydrophobicContact CD2-CG 4.28Å; Y45-L56 PolarHBondContact N-O 2.72Å; Y45-L56 VanDerWaalsContact N-O 3.13Å; Y45-L56 PolarHBondContact O-N 2.64Å; L56-I61 HydrophobicContact CB-CG2 4.28Å; L56-I61 HydrophobicContact CD1-CG2 3.77Å; L56-L76 HydrophobicContact CD1-CD1 4.37Å; L56-L76 HydrophobicContact CD1-CD2 3.72Å; L56-W113 HydrophobicContact CB-CH2 4.47Å; L56-W113 HydrophobicContact CB-CZ3 3.81Å; L56-R116 HydrophobicContact CD2-CB 4.02Å; L56-I117 HydrophobicContact CD2-CG1 3.94Å; L56-M120 HydrophobicContact CD1-CE 4.32Å; L56-M120 HydrophobicContact CD1-SD 3.88Å; L56-M120 HydrophobicContact CD2-SD 3.74Å; L56-M120 HydrophobicContact CG-SD 3.72Å
57	S	96.3	Very high	93.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	176.4	174.3	75.6	0	0	0	0	112	E41 S42 Y59 R60 L76 M120	E41-S57 VanDerWaalsContact OE1-CB 3.31Å; E41-S57 WeakPolarHBondContact OE1-CB 3.32Å; E41-S57 PolarHBondContact OE1-OG 2.81Å; S42-S57 WeakPolarHBondContact O-CA 3.39Å; S42-S57 WeakPolarHBondContact O-CB 3.48Å; S57-Y59 PolarHBondContact O-N 2.91Å; S57-Y59 PolarHBondContact OG-N 3.09Å; S57-R60 PolarHBondContact N-O 3.06Å; S57-R60 PolarHBondContact OG-N 2.79Å; S57-R60 PolarHBondContact OG-O 2.81Å; S57-L76 WeakPolarHBondContact O-CD1 3.3Å; S57-M120 WeakPolarHBondContact O-CE 3.44Å
58	N	94.6	Very high	93.1	Very high	45 Å²	45	34.1 Å²	34.1	24%	0.241	18%	0.177	C	C	.	.	S	Bend	trans	-66.8	1.2	166.6	65.4	-25.4	0	0	0	114.6	G40 E41 S42	G40-N58 PolarHBondContact O-ND2 3.21Å; E41-N58 VanDerWaalsContact CA-OD1 3.25Å; E41-N58 WeakPolarHBondContact CA-OD1 3.44Å; S42-N58 PolarHBondContact N-OD1 2.91Å; S42-N58 PolarHBondContact O-N 3.01Å; S42-N58 VanDerWaalsContact O-N 3.14Å; S42-N58 PolarHBondContact O-OD1 3.26Å
59	Y	96.1	Very high	92.6	Very high	17 Å²	17	32.5 Å²	32.5	7%	0.067	19%	0.191	C	C	.	.	S	Bend	trans	-123.1	-41.1	177.7	174.1	-128	0	0	0	114	L38 S57 P75 L76 F131 S568 L570	L38-Y59 HydrophobicContact CD1-CD1 3.75Å; L38-Y59 HydrophobicContact CD1-CE1 3.64Å; S57-Y59 PolarHBondContact O-N 2.91Å; S57-Y59 PolarHBondContact OG-N 3.09Å; Y59-P75 HydrophobicContact CE2-CB 3.95Å; Y59-P75 HydrophobicContact CE2-CG 4.43Å; Y59-P75 CarbonylContact O-C 3.59Å; Y59-P75 WeakPolarHBondContact O-CA 3.45Å; Y59-L76 WeakPolarHBondContact O-CG 3.45Å; Y59-L76 PolarHBondContact O-N 2.74Å; Y59-F131 HydrophobicContact CD1-CD1 4.22Å; Y59-F131 HydrophobicContact CD1-CE1 4.08Å; Y59-F131 HydrophobicContact CD2-CB 3.81Å; Y59-F131 AromaticContact CD2-CD1 3.2Å; Y59-F131 HydrophobicContact CD2-CD1 3.2Å; Y59-F131 HydrophobicContact CD2-CD2 4.48Å; Y59-F131 AromaticContact CD2-CE1 3.9Å; Y59-F131 HydrophobicContact CD2-CE1 3.9Å; Y59-F131 AromaticContact CD2-CG 3.56Å; Y59-F131 HydrophobicContact CD2-CG 3.56Å; Y59-F131 AromaticContact CE2-CD1 3.86Å; Y59-F131 HydrophobicContact CE2-CD1 3.86Å; Y59-F131 HydrophobicContact CG-CB 4.5Å; Y59-F131 AromaticContact CG-CD1 3.43Å; Y59-F131 HydrophobicContact CG-CD1 3.43Å; Y59-F131 VanDerWaalsContact CG-CD1 3.43Å; Y59-F131 HydrophobicContact CG-CD2 4.36Å; Y59-F131 AromaticContact CG-CE1 3.66Å; Y59-F131 HydrophobicContact CG-CE1 3.66Å; Y59-F131 AromaticContact CG-CG 3.82Å; Y59-F131 HydrophobicContact CG-CG 3.82Å; Y59-F131 HydrophobicContact CG-CZ 4.24Å; Y59-S568 WeakPolarHBondContact CE2-O 3.3Å; Y59-L570 HydrophobicContact CE2-CB 3.96Å; Y59-L570 HydrophobicContact CE2-CD1 4.25Å
60	R	96.1	Very high	92.2	Very high	28 Å²	28	37.1 Å²	37.1	11%	0.106	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	158.7	-167.5	54	-179.6	164.9	165.6	-4.8	112.4	Q36 E41 S57 Y73 V74	Q36-R60 PolarHBondContact O-NH2 3.49Å; E41-R60 WeakPolarHBondContact OE1-CG 3.48Å; E41-R60 IonicContact OE1-CZ 2.78Å; E41-R60 IonicContact OE1-NE 2.69Å; E41-R60 PolarHBondContact OE1-NE 2.88Å; E41-R60 IonicContact OE1-NH2 3.44Å; E41-R60 IonicContact OE2-CZ 3.37Å; E41-R60 IonicContact OE2-NE 3.64Å; E41-R60 PolarHBondContact OE2-NE 2.99Å; E41-R60 IonicContact OE2-NH2 2.84Å; E41-R60 PolarHBondContact OE2-NH2 3.16Å; S57-R60 PolarHBondContact N-O 3.06Å; S57-R60 PolarHBondContact OG-N 2.79Å; S57-R60 PolarHBondContact OG-O 2.81Å; R60-Y73 VanDerWaalsContact NH1-CE1 3.34Å; R60-V74 CarbonylContact C-O 3.59Å; R60-V74 WeakPolarHBondContact CA-O 3.22Å; R60-V74 VanDerWaalsContact CB-O 3.31Å; R60-V74 WeakPolarHBondContact CB-O 3.39Å
61	I	95.8	Very high	92	Very high	4 Å²	4	37 Å²	37	2%	0.021	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	149	153.9	59.1	170.9	0	0	0	110.4	L54 A55 L56 Y73 V74 L76 I79 V92 I117	L54-I61 HydrophobicContact CD1-CB 4.4Å; A55-I61 CarbonylContact O-C 3.55Å; A55-I61 VanDerWaalsContact O-CA 3.27Å; A55-I61 WeakPolarHBondContact O-CA 3.4Å; L56-I61 HydrophobicContact CB-CG2 4.28Å; L56-I61 HydrophobicContact CD1-CG2 3.77Å; I61-Y73 WeakPolarHBondContact O-CA 3.34Å; I61-V74 HydrophobicContact CD1-CB 4.14Å; I61-V74 HydrophobicContact CD1-CG2 4.33Å; I61-V74 HydrophobicContact CG1-CB 3.71Å; I61-V74 HydrophobicContact CG1-CG2 4.25Å; I61-V74 PolarHBondContact N-O 3.08Å; I61-V74 PolarHBondContact O-N 2.95Å; I61-L76 HydrophobicContact CG2-CD2 4.44Å; I61-I79 HydrophobicContact CD1-CD1 4.19Å; I61-I79 HydrophobicContact CG1-CD1 4.28Å; I61-V92 HydrophobicContact CD1-CB 4.44Å; I61-V92 HydrophobicContact CD1-CG1 4.09Å; I61-V92 HydrophobicContact CD1-CG2 3.98Å; I61-I117 HydrophobicContact CG2-CD1 4.26Å; I61-I117 HydrophobicContact CG2-CG1 4.21Å
62	F	95.5	Very high	92.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	129.4	168.3	164.1	-90.2	0	0	0	109	P34 F35 L54 A55 E71 T72 Y73	P34-F62 HydrophobicContact CB-CE1 4.49Å; P34-F62 HydrophobicContact CB-CZ 4.34Å; P34-F62 HydrophobicContact CG-CD1 4.06Å; P34-F62 HydrophobicContact CG-CE1 3.28Å; P34-F62 HydrophobicContact CG-CE2 4.47Å; P34-F62 HydrophobicContact CG-CZ 3.5Å; P34-F62 VanDerWaalsContact CG-CZ 3.5Å; F35-F62 HydrophobicContact CD1-CB 3.81Å; F35-F62 AromaticContact CD1-CD1 3.78Å; F35-F62 HydrophobicContact CD1-CD1 3.78Å; F35-F62 AromaticContact CD1-CD2 3.67Å; F35-F62 HydrophobicContact CD1-CD2 3.67Å; F35-F62 HydrophobicContact CD1-CE1 4.27Å; F35-F62 HydrophobicContact CD1-CE2 4.1Å; F35-F62 AromaticContact CD1-CG 3.44Å; F35-F62 HydrophobicContact CD1-CG 3.44Å; F35-F62 VanDerWaalsContact CD1-CG 3.44Å; F35-F62 HydrophobicContact CD1-CZ 4.38Å; F35-F62 HydrophobicContact CE1-CB 3.38Å; F35-F62 AromaticContact CE1-CD1 3.82Å; F35-F62 HydrophobicContact CE1-CD1 3.82Å; F35-F62 HydrophobicContact CE1-CD2 4.17Å; F35-F62 AromaticContact CE1-CG 3.51Å; F35-F62 HydrophobicContact CE1-CG 3.51Å; F35-F62 HydrophobicContact CG-CD2 4.32Å; F35-F62 HydrophobicContact CG-CG 4.45Å; F35-F62 HydrophobicContact CZ-CB 4Å; L54-F62 WeakPolarHBondContact CA-O 3.45Å; L54-F62 WeakPolarHBondContact CD1-O 3.15Å; A55-F62 HydrophobicContact CB-CB 4.34Å; A55-F62 HydrophobicContact CB-CD1 4.38Å; A55-F62 PolarHBondContact N-O 3.37Å; A55-F62 PolarHBondContact O-N 3.14Å; F62-E71 HydrophobicContact CE2-CB 3.84Å; F62-E71 HydrophobicContact CE2-CG 3.82Å; F62-E71 HydrophobicContact CZ-CB 4.42Å; F62-E71 HydrophobicContact CZ-CG 3.99Å; F62-T72 CarbonylContact C-O 3.57Å; F62-T72 WeakPolarHBondContact CA-O 3.41Å; F62-Y73 HydrophobicContact CB-CD1 4.38Å; F62-Y73 AromaticContact CD2-CD1 3.73Å; F62-Y73 HydrophobicContact CD2-CD1 3.73Å; F62-Y73 AromaticContact CD2-CE1 3.34Å; F62-Y73 HydrophobicContact CD2-CE1 3.34Å; F62-Y73 HydrophobicContact CD2-CE2 4.14Å; F62-Y73 HydrophobicContact CD2-CG 4.34Å; F62-Y73 AromaticContact CD2-CZ 3.55Å; F62-Y73 AromaticContact CE2-CE1 3.89Å; F62-Y73 HydrophobicContact CE2-CE1 3.89Å; F62-Y73 HydrophobicContact CE2-CE2 4.16Å; F62-Y73 AromaticContact CE2-CZ 3.61Å; F62-Y73 HydrophobicContact CG-CE1 4.35Å
63	L	93.9	Very high	92.1	Very high	4 Å²	4	40 Å²	40	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	126	173.5	173.5	67.7	0	0	0	109.3	T49 I53 L54 E71 T72 V100 C102	T49-L63 HydrophobicContact CG2-CD1 4.06Å; I53-L63 WeakPolarHBondContact O-CA 3.14Å; L54-L63 HydrophobicContact CD1-CB 4.25Å; L63-E71 CarbonylContact O-C 3.51Å; L63-E71 WeakPolarHBondContact O-CA 3.32Å; L63-T72 PolarHBondContact N-O 3.14Å; L63-T72 PolarHBondContact O-N 3.15Å; L63-V100 HydrophobicContact CD2-CG1 3.69Å; L63-C102 HydrophobicContact CD1-CB 3.77Å; L63-C102 HydrophobicContact CD2-CB 3.84Å; L63-C102 HydrophobicContact CG-CB 4.48Å
64	S	92.2	Very high	92.1	Very high	19 Å²	19	39.4 Å²	39.4	13%	0.133	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	145.6	164.9	60.2	0	0	0	0	111.7	I53 Y70	I53-S64 PolarHBondContact O-N 3.49Å; S64-Y70 WeakPolarHBondContact CA-O 3.46Å
65	K	89.6	Confident	92.1	Very high	35 Å²	35	40.1 Å²	40.1	15%	0.152	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	119.7	174.1	-72	-167.5	176.9	-174	0	110.7	D51 T68 G69 Y70 R101 N640	D51-K65 CarbonylContact O-C 3.22Å; D51-K65 VanDerWaalsContact O-CA 3.28Å; D51-K65 WeakPolarHBondContact O-CA 3.45Å; D51-K65 VanDerWaalsContact OD2-CB 3.29Å; D51-K65 WeakPolarHBondContact OD2-CB 3.37Å; D51-K65 WeakPolarHBondContact OD2-CG 3.5Å; K65-T68 WeakPolarHBondContact CB-OG1 3.36Å; K65-G69 VanDerWaalsContact O-CA 3.26Å; K65-G69 WeakPolarHBondContact O-CA 3.45Å; K65-G69 PolarHBondContact O-N 2.87Å; K65-Y70 PolarHBondContact N-O 3.22Å; K65-R101 WeakPolarHBondContact CE-O 3.13Å; K65-R101 PolarHBondContact NZ-O 2.96Å; K65-N640 PolarHBondContact NZ-OD1 3.24Å
66	Q	88	Confident	92.1	Very high	138 Å²	138	41 Å²	41	65%	0.645	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-37.5	-176.4	-67	-175	16	0	0	111.7	D51 T68	D51-Q66 PolarHBondContact O-N 2.8Å; D51-Q66 PolarHBondContact OD1-N 3Å; Q66-T68 PolarHBondContact O-N 3.37Å; Q66-T68 VanDerWaalsContact O-N 3.13Å
67	S	86.4	Confident	91.9	Very high	76 Å²	76	41.7 Å²	41.7	53%	0.531	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50	-32.8	173.9	60.8	0	0	0	0	114.2	D51	D51-S67 VanDerWaalsContact CG-OG 3.25Å; D51-S67 WeakPolarHBondContact OD1-CB 3.33Å; D51-S67 PolarHBondContact OD1-N 2.94Å; D51-S67 PolarHBondContact OD1-OG 2.98Å; D51-S67 WeakPolarHBondContact OD2-CB 3.29Å; D51-S67 PolarHBondContact OD2-OG 3.44Å
68	T	84.9	Confident	91.8	Very high	77 Å²	77	42.1 Å²	42.1	47%	0.472	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132	-11.6	-166.2	47.6	0	0	0	0	114.1	K65 Q66 Y70	K65-T68 WeakPolarHBondContact CB-OG1 3.36Å; Q66-T68 PolarHBondContact O-N 3.37Å; Q66-T68 VanDerWaalsContact O-N 3.13Å; T68-Y70 HydrophobicContact CG2-CD2 4.34Å; T68-Y70 HydrophobicContact CG2-CE2 4.47Å; T68-Y70 PolarHBondContact O-N 3.08Å
69	G	84.2	Confident	91.8	Very high	63 Å²	63	40.1 Å²	40.1	65%	0.649	22%	0.219	S	C	*	.			trans	70.7	7.7	-176.5	0	0	0	0	0	115	K65	K65-G69 VanDerWaalsContact O-CA 3.26Å; K65-G69 WeakPolarHBondContact O-CA 3.45Å; K65-G69 PolarHBondContact O-N 2.87Å
70	Y	84.3	Confident	91.6	Very high	109 Å²	109	42.1 Å²	42.1	43%	0.427	23%	0.229	S	C	.	.			trans	-79.4	137.9	-178.8	-70.8	-62.7	0	0	0	112.5	S64 K65 T68 L636	S64-Y70 WeakPolarHBondContact CA-O 3.46Å; K65-Y70 PolarHBondContact N-O 3.22Å; T68-Y70 HydrophobicContact CG2-CD2 4.34Å; T68-Y70 HydrophobicContact CG2-CE2 4.47Å; T68-Y70 PolarHBondContact O-N 3.08Å; Y70-L636 HydrophobicContact CD1-CD2 3.8Å; Y70-L636 HydrophobicContact CE1-CD2 4.24Å; Y70-L636 HydrophobicContact CG-CD2 4.03Å
71	E	89.7	Confident	91.4	Very high	91 Å²	91	42.2 Å²	42.2	43%	0.425	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	138.2	169.2	-63.5	-167.4	155.1	0	0	110.5	F62 L63 Y73	F62-E71 HydrophobicContact CE2-CB 3.84Å; F62-E71 HydrophobicContact CE2-CG 3.82Å; F62-E71 HydrophobicContact CZ-CB 4.42Å; F62-E71 HydrophobicContact CZ-CG 3.99Å; L63-E71 CarbonylContact O-C 3.51Å; L63-E71 WeakPolarHBondContact O-CA 3.32Å; E71-Y73 HydrophobicContact CB-CE2 3.87Å; E71-Y73 PolarHBondContact OE2-OH 3.41Å
72	T	90.8	Very high	91.3	Very high	20 Å²	20	42.5 Å²	42.5	12%	0.123	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	129.8	178.9	-50.5	0	0	0	0	109.9	F62 L63 V74 V100 L636	F62-T72 CarbonylContact C-O 3.57Å; F62-T72 WeakPolarHBondContact CA-O 3.41Å; L63-T72 PolarHBondContact N-O 3.14Å; L63-T72 PolarHBondContact O-N 3.15Å; T72-V74 HydrophobicContact CG2-CG2 4.19Å; T72-V100 HydrophobicContact CG2-CG1 4.08Å; T72-V100 HydrophobicContact CG2-CG2 3.71Å; T72-L636 HydrophobicContact CG2-CD1 4.31Å; T72-L636 WeakPolarHBondContact OG1-CD1 3.23Å
73	Y	93.2	Very high	91.2	Very high	91 Å²	91	47.2 Å²	47.2	36%	0.357	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	122.1	179.7	-59.5	-97.4	0	0	0	109.3	F35 R60 I61 F62 E71	F35-Y73 HydrophobicContact CB-CE1 3.86Å; F35-Y73 WeakPolarHBondContact CB-OH 3.39Å; F35-Y73 HydrophobicContact CD1-CE1 4.41Å; F35-Y73 HydrophobicContact CD2-CE1 4.32Å; F35-Y73 AromaticContact CG-CE1 3.96Å; F35-Y73 HydrophobicContact CG-CE1 3.96Å; R60-Y73 VanDerWaalsContact NH1-CE1 3.34Å; I61-Y73 WeakPolarHBondContact O-CA 3.34Å; F62-Y73 HydrophobicContact CB-CD1 4.38Å; F62-Y73 AromaticContact CD2-CD1 3.73Å; F62-Y73 HydrophobicContact CD2-CD1 3.73Å; F62-Y73 AromaticContact CD2-CE1 3.34Å; F62-Y73 HydrophobicContact CD2-CE1 3.34Å; F62-Y73 HydrophobicContact CD2-CE2 4.14Å; F62-Y73 HydrophobicContact CD2-CG 4.34Å; F62-Y73 AromaticContact CD2-CZ 3.55Å; F62-Y73 AromaticContact CE2-CE1 3.89Å; F62-Y73 HydrophobicContact CE2-CE1 3.89Å; F62-Y73 HydrophobicContact CE2-CE2 4.16Å; F62-Y73 AromaticContact CE2-CZ 3.61Å; F62-Y73 HydrophobicContact CG-CE1 4.35Å; E71-Y73 HydrophobicContact CB-CE2 3.87Å; E71-Y73 PolarHBondContact OE2-OH 3.41Å
74	V	94.8	Very high	91.1	Very high	6 Å²	6	49.2 Å²	49.2	4%	0.036	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	113.7	179.5	-172.1	0	0	0	0	109.7	R60 I61 T72 L78 I79 V100	R60-V74 CarbonylContact C-O 3.59Å; R60-V74 WeakPolarHBondContact CA-O 3.22Å; R60-V74 VanDerWaalsContact CB-O 3.31Å; R60-V74 WeakPolarHBondContact CB-O 3.39Å; I61-V74 HydrophobicContact CD1-CB 4.14Å; I61-V74 HydrophobicContact CD1-CG2 4.33Å; I61-V74 HydrophobicContact CG1-CB 3.71Å; I61-V74 HydrophobicContact CG1-CG2 4.25Å; I61-V74 PolarHBondContact N-O 3.08Å; I61-V74 PolarHBondContact O-N 2.95Å; T72-V74 HydrophobicContact CG2-CG2 4.19Å; V74-L78 HydrophobicContact CG1-CB 4.34Å; V74-L78 HydrophobicContact CG1-CD2 4.24Å; V74-I79 HydrophobicContact CG1-CD1 4.47Å; V74-I79 HydrophobicContact CG1-CG1 3.8Å; V74-V100 HydrophobicContact CG2-CG2 3.76Å
75	P	95.8	Very high	90.9	Very high	19 Å²	19	54.7 Å²	54.7	12%	0.123	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	143.1	172.8	-23.2	34.5	0	0	0	111.9	Y59 G77 L78	Y59-P75 HydrophobicContact CE2-CB 3.95Å; Y59-P75 HydrophobicContact CE2-CG 4.43Å; Y59-P75 CarbonylContact O-C 3.59Å; Y59-P75 WeakPolarHBondContact O-CA 3.45Å; P75-G77 VanDerWaalsContact C-N 3.33Å; P75-G77 PolarHBondContact O-N 3.01Å; P75-L78 HydrophobicContact CB-CB 4.33Å; P75-L78 WeakPolarHBondContact O-CA 3.34Å; P75-L78 VanDerWaalsContact O-CB 3.25Å; P75-L78 WeakPolarHBondContact O-CB 3.34Å; P75-L78 PolarHBondContact O-N 3.12Å
76	L	95.4	Very high	90.9	Very high	19 Å²	19	58.4 Å²	58.4	10%	0.099	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-62	-38.7	-176.9	-65.3	175.4	0	0	0	112.7	L56 S57 Y59 I61 L78 I79 M120 I121	L56-L76 HydrophobicContact CD1-CD1 4.37Å; L56-L76 HydrophobicContact CD1-CD2 3.72Å; S57-L76 WeakPolarHBondContact O-CD1 3.3Å; Y59-L76 WeakPolarHBondContact O-CG 3.45Å; Y59-L76 PolarHBondContact O-N 2.74Å; I61-L76 HydrophobicContact CG2-CD2 4.44Å; L76-L78 PolarHBondContact O-N 2.73Å; L76-L78 VanDerWaalsContact O-N 3.14Å; L76-I79 HydrophobicContact CD2-CD1 3.93Å; L76-I79 PolarHBondContact O-N 2.91Å; L76-M120 HydrophobicContact CD1-CB 4.15Å; L76-M120 HydrophobicContact CD1-CE 3.94Å; L76-I121 HydrophobicContact CB-CG2 4.4Å; L76-I121 HydrophobicContact CD2-CG2 4.06Å
77	G	93.3	Very high	91	Very high	14 Å²	14	57.4 Å²	57.4	14%	0.144	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-64.2	-13.8	174.2	0	0	0	0	0	114.7	P75 K95 N520 L567	P75-G77 VanDerWaalsContact C-N 3.33Å; P75-G77 PolarHBondContact O-N 3.01Å; G77-K95 WeakPolarHBondContact O-CD 3.43Å; G77-K95 WeakPolarHBondContact O-CE 3.39Å; G77-K95 PolarHBondContact O-NZ 2.86Å; G77-N520 PolarHBondContact O-ND2 2.75Å; G77-N520 VanDerWaalsContact O-ND2 3.12Å; G77-N520 PolarHBondContact O-OD1 3.14Å; G77-N520 VanDerWaalsContact O-OD1 3.12Å; G77-L567 CarbonylContact C-O 3.53Å; G77-L567 WeakPolarHBondContact CA-O 3.15Å; G77-L567 VanDerWaalsContact O-O 3.1Å
78	L	94.4	Very high	91.3	Very high	9 Å²	9	58.4 Å²	58.4	5%	0.047	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-90	-16.7	173.9	-168.3	66.2	0	0	0	112.3	V74 P75 L76 C94 K95 D96 L567	V74-L78 HydrophobicContact CG1-CB 4.34Å; V74-L78 HydrophobicContact CG1-CD2 4.24Å; P75-L78 HydrophobicContact CB-CB 4.33Å; P75-L78 WeakPolarHBondContact O-CA 3.34Å; P75-L78 VanDerWaalsContact O-CB 3.25Å; P75-L78 WeakPolarHBondContact O-CB 3.34Å; P75-L78 PolarHBondContact O-N 3.12Å; L76-L78 PolarHBondContact O-N 2.73Å; L76-L78 VanDerWaalsContact O-N 3.14Å; L78-C94 HydrophobicContact CG-CB 4.25Å; L78-C94 CarbonylContact O-C 3.6Å; L78-C94 VanDerWaalsContact O-CA 3.28Å; L78-C94 WeakPolarHBondContact O-CA 3.48Å; L78-C94 WeakPolarHBondContact O-CB 3.48Å; L78-K95 PolarHBondContact O-N 3.38Å; L78-D96 HydrophobicContact CD1-CB 4.07Å; L78-L567 HydrophobicContact CD1-CB 3.61Å; L78-L567 HydrophobicContact CD1-CD1 3.69Å; L78-L567 HydrophobicContact CD1-CG 4.3Å
79	I	94.4	Very high	91.7	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.021	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	132.4	178.4	-57.8	178.5	0	0	0	109.8	I61 V74 L76 V82 V92 K95 I117 I121	I61-I79 HydrophobicContact CD1-CD1 4.19Å; I61-I79 HydrophobicContact CG1-CD1 4.28Å; V74-I79 HydrophobicContact CG1-CD1 4.47Å; V74-I79 HydrophobicContact CG1-CG1 3.8Å; L76-I79 HydrophobicContact CD2-CD1 3.93Å; L76-I79 PolarHBondContact O-N 2.91Å; I79-V82 HydrophobicContact CG2-CG2 3.92Å; I79-V92 HydrophobicContact CB-CG1 4.46Å; I79-V92 HydrophobicContact CD1-CG1 3.95Å; I79-V92 HydrophobicContact CG1-CG1 3.89Å; I79-V92 HydrophobicContact CG2-CG1 3.87Å; I79-K95 WeakPolarHBondContact O-CE 3.22Å; I79-I117 HydrophobicContact CD1-CG2 4Å; I79-I121 HydrophobicContact CB-CG2 3.91Å; I79-I121 HydrophobicContact CD1-CG2 4.1Å; I79-I121 HydrophobicContact CG2-CD1 3.77Å; I79-I121 HydrophobicContact CG2-CG2 4.06Å
80	E	91.8	Very high	92.2	Very high	58 Å²	58	54.2 Å²	54.2	27%	0.271	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-36.6	-179.7	169.4	70.7	166.7	0	0	111.7	N93 K95 R421	E80-N93 WeakPolarHBondContact CB-O 3.46Å; E80-N93 PolarHBondContact N-O 2.64Å; E80-K95 HydrophobicContact CB-CG 3.7Å; E80-R421 VanDerWaalsContact CG-NH1 3.29Å; E80-R421 IonicContact OE1-CZ 2.99Å; E80-R421 IonicContact OE1-NH1 3.4Å; E80-R421 IonicContact OE1-NH2 2.73Å; E80-R421 PolarHBondContact OE1-NH2 3.44Å
81	S	91.7	Very high	92.5	Very high	31 Å²	31	49.6 Å²	49.6	22%	0.217	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	156.3	172.5	50.4	0	0	0	0	111.5	N93	S81-N93 PolarHBondContact N-O 2.97Å; S81-N93 PolarHBondContact O-N 2.69Å; S81-N93 PolarHBondContact OG-ND2 2.78Å
82	V	93.8	Very high	92.7	Very high	9 Å²	9	45.4 Å²	45.4	6%	0.055	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	127.1	172.7	-170.9	0	0	0	0	108.9	I79 L90 I91 V92 Q114 I117 I121	I79-V82 HydrophobicContact CG2-CG2 3.92Å; V82-L90 HydrophobicContact CG1-CD1 3.49Å; V82-L90 VanDerWaalsContact CG1-CD1 3.49Å; V82-L90 HydrophobicContact CG1-CD2 4.33Å; V82-L90 HydrophobicContact CG1-CG 3.86Å; V82-I91 WeakPolarHBondContact CA-O 3.36Å; V82-V92 HydrophobicContact CG1-CG2 4.14Å; V82-V92 HydrophobicContact CG2-CG1 4.44Å; V82-V92 HydrophobicContact CG2-CG2 4.27Å; V82-Q114 HydrophobicContact CB-CG 4.36Å; V82-Q114 HydrophobicContact CG1-CG 4.07Å; V82-Q114 PolarHBondContact O-NE2 2.93Å; V82-I117 HydrophobicContact CG2-CB 4.24Å; V82-I117 HydrophobicContact CG2-CG2 3.7Å; V82-I121 HydrophobicContact CG2-CD1 4.18Å
83	Q	91.9	Very high	92.7	Very high	100 Å²	100	45.2 Å²	45.2	47%	0.467	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	147	-174.3	-63.6	175.5	-3.8	0	0	109.7	I91	Q83-I91 PolarHBondContact N-O 3.41Å; Q83-I91 PolarHBondContact O-N 2.87Å
84	V	92.3	Very high	92.8	Very high	45 Å²	45	41 Å²	41	27%	0.273	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	133.8	168.4	174	0	0	0	0	108.6	Q89 L90 Q114	V84-Q89 CarbonylContact C-O 3.56Å; V84-Q89 WeakPolarHBondContact CA-O 3.39Å; V84-L90 HydrophobicContact CG2-CD1 3.92Å; V84-Q114 HydrophobicContact CG2-CB 3.89Å; V84-Q114 HydrophobicContact CG2-CG 4.15Å
85	R	89.2	Confident	92.8	Very high	134 Å²	134	41.9 Å²	41.9	51%	0.506	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	142.6	178.8	-172.9	-168.2	158.1	145.1	3	108.9	L87 F88 Q89 I91	R85-L87 PolarHBondContact O-N 3.31Å; R85-F88 PolarHBondContact O-N 2.93Å; R85-Q89 HydrophobicContact CB-CB 4.42Å; R85-Q89 PolarHBondContact N-O 3.45Å; R85-Q89 WeakPolarHBondContact O-CB 3.48Å; R85-Q89 PolarHBondContact O-N 3.29Å; R85-I91 HydrophobicContact CB-CD1 3.78Å; R85-I91 HydrophobicContact CB-CG1 4.42Å; R85-I91 HydrophobicContact CG-CD1 4.39Å
86	D	89.3	Confident	92.6	Very high	113 Å²	113	41.1 Å²	41.1	60%	0.604	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	32.5	174.6	-53.4	-31.7	0	0	0	113	F88	D86-F88 WeakPolarHBondContact O-CD2 3.46Å; D86-F88 PolarHBondContact O-N 3.44Å
87	L	88.9	Confident	92.6	Very high	117 Å²	117	40.2 Å²	40.2	61%	0.613	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.7	-31.2	-173.3	-58.3	177.1	0	0	0	117.1	R85 A107	R85-L87 PolarHBondContact O-N 3.31Å; L87-A107 HydrophobicContact CB-CB 3.94Å; L87-A107 WeakPolarHBondContact O-CA 3.37Å
88	F	93.6	Very high	92.5	Very high	98 Å²	98	40.3 Å²	40.3	43%	0.43	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-18.3	-170.9	-53.5	-77	0	0	0	114.4	R85 D86 S103 F104 A107 C110	R85-F88 PolarHBondContact O-N 2.93Å; D86-F88 WeakPolarHBondContact O-CD2 3.46Å; D86-F88 PolarHBondContact O-N 3.44Å; F88-S103 CarbonylContact O-C 3.57Å; F88-S103 VanDerWaalsContact O-CA 3.3Å; F88-S103 WeakPolarHBondContact O-CA 3.43Å; F88-F104 PolarHBondContact O-N 3.33Å; F88-A107 HydrophobicContact CD1-CB 4.43Å; F88-A107 HydrophobicContact CE1-CB 4.16Å; F88-C110 VanDerWaalsContact C-SG 3.6Å; F88-C110 PolarHBondContact O-SG 2.88Å
89	Q	93.3	Very high	92.2	Very high	51 Å²	51	40.8 Å²	40.8	24%	0.238	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	126.3	-176.7	-177.8	175.4	102.8	0	0	111.8	V84 R85 I91 C102	V84-Q89 CarbonylContact C-O 3.56Å; V84-Q89 WeakPolarHBondContact CA-O 3.39Å; R85-Q89 HydrophobicContact CB-CB 4.42Å; R85-Q89 PolarHBondContact N-O 3.45Å; R85-Q89 WeakPolarHBondContact O-CB 3.48Å; R85-Q89 PolarHBondContact O-N 3.29Å; Q89-I91 HydrophobicContact CG-CG1 4.14Å; Q89-C102 CarbonylContact C-O 3.46Å; Q89-C102 WeakPolarHBondContact CA-O 3.46Å
90	L	93.8	Very high	92	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	127.6	172.3	-168.3	74.3	0	0	0	110	L54 V82 V84 R101 C102 F104 W113 Q114 I117	L54-L90 HydrophobicContact CD2-CD2 4.4Å; V82-L90 HydrophobicContact CG1-CD1 3.49Å; V82-L90 VanDerWaalsContact CG1-CD1 3.49Å; V82-L90 HydrophobicContact CG1-CD2 4.33Å; V82-L90 HydrophobicContact CG1-CG 3.86Å; V84-L90 HydrophobicContact CG2-CD1 3.92Å; L90-R101 WeakPolarHBondContact O-CA 3.34Å; L90-C102 PolarHBondContact N-O 2.69Å; L90-C102 PolarHBondContact O-N 3.35Å; L90-C102 VanDerWaalsContact O-N 3.14Å; L90-F104 HydrophobicContact CB-CD2 4.36Å; L90-F104 HydrophobicContact CB-CE2 3.75Å; L90-F104 HydrophobicContact CD2-CE2 3.9Å; L90-F104 HydrophobicContact CD2-CZ 4.27Å; L90-F104 HydrophobicContact CG-CE2 4.42Å; L90-W113 HydrophobicContact CD2-CB 4.26Å; L90-Q114 HydrophobicContact CD1-CB 3.75Å; L90-Q114 HydrophobicContact CD1-CG 4.26Å; L90-I117 HydrophobicContact CD2-CD1 3.98Å
91	I	91.9	Very high	91.9	Very high	11 Å²	11	39.8 Å²	39.8	6%	0.056	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	115.1	-179.7	-54.7	-179.5	0	0	0	108.7	V82 Q83 R85 Q89 N93 T99 R101	V82-I91 WeakPolarHBondContact CA-O 3.36Å; Q83-I91 PolarHBondContact N-O 3.41Å; Q83-I91 PolarHBondContact O-N 2.87Å; R85-I91 HydrophobicContact CB-CD1 3.78Å; R85-I91 HydrophobicContact CB-CG1 4.42Å; R85-I91 HydrophobicContact CG-CD1 4.39Å; Q89-I91 HydrophobicContact CG-CG1 4.14Å; I91-N93 WeakPolarHBondContact CG2-OD1 3.49Å; I91-T99 HydrophobicContact CG2-CG2 3.64Å; I91-R101 HydrophobicContact CG1-CG 4.36Å; I91-R101 HydrophobicContact CG2-CG 4.42Å
92	V	92.9	Very high	91.9	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.024	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	111.4	174.8	-178.4	0	0	0	0	108.2	I61 I79 V82 T99 V100	I61-V92 HydrophobicContact CD1-CB 4.44Å; I61-V92 HydrophobicContact CD1-CG1 4.09Å; I61-V92 HydrophobicContact CD1-CG2 3.98Å; I79-V92 HydrophobicContact CB-CG1 4.46Å; I79-V92 HydrophobicContact CD1-CG1 3.95Å; I79-V92 HydrophobicContact CG1-CG1 3.89Å; I79-V92 HydrophobicContact CG2-CG1 3.87Å; V82-V92 HydrophobicContact CG1-CG2 4.14Å; V82-V92 HydrophobicContact CG2-CG1 4.44Å; V82-V92 HydrophobicContact CG2-CG2 4.27Å; V92-T99 WeakPolarHBondContact O-CA 3.27Å; V92-V100 HydrophobicContact CB-CB 4.36Å; V92-V100 PolarHBondContact N-O 2.86Å; V92-V100 PolarHBondContact O-N 2.77Å
93	N	92.1	Very high	91.9	Very high	16 Å²	16	40.5 Å²	40.5	9%	0.086	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	130.6	178.4	-57.7	-52.8	0	0	0	109.6	E80 S81 I91	E80-N93 WeakPolarHBondContact CB-O 3.46Å; E80-N93 PolarHBondContact N-O 2.64Å; S81-N93 PolarHBondContact N-O 2.97Å; S81-N93 PolarHBondContact O-N 2.69Å; S81-N93 PolarHBondContact OG-ND2 2.78Å; I91-N93 WeakPolarHBondContact CG2-OD1 3.49Å
94	C	94.2	Very high	92.1	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.007	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	159	-175	-57.2	0	0	0	0	113.5	L78 D96 A97 S98 R421	L78-C94 HydrophobicContact CG-CB 4.25Å; L78-C94 CarbonylContact O-C 3.6Å; L78-C94 VanDerWaalsContact O-CA 3.28Å; L78-C94 WeakPolarHBondContact O-CA 3.48Å; L78-C94 WeakPolarHBondContact O-CB 3.48Å; C94-D96 WeakPolarHBondContact CB-OD1 3.47Å; C94-D96 PolarHBondContact O-N 2.84Å; C94-A97 PolarHBondContact O-N 2.9Å; C94-A97 VanDerWaalsContact O-N 3.16Å; C94-S98 WeakPolarHBondContact CB-O 3.38Å; C94-S98 WeakPolarHBondContact CB-OG 3.39Å; C94-S98 PolarHBondContact N-O 2.94Å; C94-S98 PolarHBondContact SG-O 2.83Å; C94-R421 WeakPolarHBondContact O-CD 3.49Å
95	K	94	Very high	92.1	Very high	25 Å²	25	37.6 Å²	37.6	11%	0.109	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-17.6	176.8	-66	-177.7	-168.8	-178	0	112.9	G77 L78 I79 E80 F417 S518 N520 L567	G77-K95 WeakPolarHBondContact O-CD 3.43Å; G77-K95 WeakPolarHBondContact O-CE 3.39Å; G77-K95 PolarHBondContact O-NZ 2.86Å; L78-K95 PolarHBondContact O-N 3.38Å; I79-K95 WeakPolarHBondContact O-CE 3.22Å; E80-K95 HydrophobicContact CB-CG 3.7Å; K95-F417 WeakPolarHBondContact O-CE1 3.43Å; K95-S518 WeakPolarHBondContact CE-O 3.41Å; K95-S518 PolarHBondContact NZ-O 2.67Å; K95-N520 PolarHBondContact NZ-OD1 2.93Å; K95-L567 HydrophobicContact CB-CD1 3.91Å; K95-L567 HydrophobicContact CB-CD2 4.47Å; K95-L567 HydrophobicContact CD-CD2 4.4Å
96	D	93.5	Very high	92.4	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.016	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	17.4	172.3	69.2	-4.4	0	0	0	113.6	L78 C94 S98 L535 V631 Y632	L78-D96 HydrophobicContact CD1-CB 4.07Å; C94-D96 WeakPolarHBondContact CB-OD1 3.47Å; C94-D96 PolarHBondContact O-N 2.84Å; D96-S98 PolarHBondContact O-N 3.2Å; D96-S98 VanDerWaalsContact O-N 3.13Å; D96-S98 WeakPolarHBondContact OD1-CB 3.36Å; D96-S98 PolarHBondContact OD1-N 3.44Å; D96-S98 VanDerWaalsContact OD1-N 3.14Å; D96-S98 PolarHBondContact OD1-OG 2.84Å; D96-L535 HydrophobicContact CB-CD2 4.34Å; D96-V631 HydrophobicContact CB-CG1 3.94Å; D96-Y632 WeakPolarHBondContact O-CD1 3.37Å
97	A	93.8	Very high	92.6	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.008	16%	0.162	C	C	.	.	S	Bend	trans	67	-9.7	-175	0	0	0	0	0	117.5	C94 F417 V420 R421 C424 Y632	C94-A97 PolarHBondContact O-N 2.9Å; C94-A97 VanDerWaalsContact O-N 3.16Å; A97-F417 HydrophobicContact CB-CE1 4.17Å; A97-F417 HydrophobicContact CB-CE2 4.18Å; A97-F417 HydrophobicContact CB-CZ 3.64Å; A97-V420 HydrophobicContact CB-CG1 4.34Å; A97-R421 HydrophobicContact CB-CG 3.7Å; A97-C424 WeakPolarHBondContact O-CB 3.34Å; A97-Y632 CarbonylContact C-O 3.35Å; A97-Y632 HydrophobicContact CB-CD1 4.12Å
98	S	91.1	Very high	92.9	Very high	15 Å²	15	30.8 Å²	30.8	11%	0.105	17%	0.168	C	C	.	.			trans	-62	149.5	173.5	72.4	0	0	0	0	111.7	C94 D96 Y632	C94-S98 WeakPolarHBondContact CB-O 3.38Å; C94-S98 WeakPolarHBondContact CB-OG 3.39Å; C94-S98 PolarHBondContact N-O 2.94Å; C94-S98 PolarHBondContact SG-O 2.83Å; D96-S98 PolarHBondContact O-N 3.2Å; D96-S98 VanDerWaalsContact O-N 3.13Å; D96-S98 WeakPolarHBondContact OD1-CB 3.36Å; D96-S98 PolarHBondContact OD1-N 3.44Å; D96-S98 VanDerWaalsContact OD1-N 3.14Å; D96-S98 PolarHBondContact OD1-OG 2.84Å; S98-Y632 PolarHBondContact N-O 2.94Å
99	T	89.3	Confident	92.9	Very high	19 Å²	19	29.4 Å²	29.4	12%	0.117	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	126.6	-176.6	-59	0	0	0	0	110.3	I91 V92 R101 A425	I91-T99 HydrophobicContact CG2-CG2 3.64Å; V92-T99 WeakPolarHBondContact O-CA 3.27Å; T99-R101 HydrophobicContact CG2-CG 4.18Å; T99-A425 HydrophobicContact CG2-CB 4.4Å
100	V	89.3	Confident	93.1	Very high	14 Å²	14	27 Å²	27	9%	0.085	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	134.9	177.9	-177.9	0	0	0	0	109.3	L63 T72 V74 V92	L63-V100 HydrophobicContact CD2-CG1 3.69Å; T72-V100 HydrophobicContact CG2-CG1 4.08Å; T72-V100 HydrophobicContact CG2-CG2 3.71Å; V74-V100 HydrophobicContact CG2-CG2 3.76Å; V92-V100 HydrophobicContact CB-CB 4.36Å; V92-V100 PolarHBondContact N-O 2.86Å; V92-V100 PolarHBondContact O-N 2.77Å
101	R	89.4	Confident	93.1	Very high	28 Å²	28	29.9 Å²	29.9	11%	0.106	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	133.5	-176.4	-50.2	-173.9	-134.7	-121.9	8.2	111.7	K65 L90 I91 T99 A425 S426	K65-R101 WeakPolarHBondContact CE-O 3.13Å; K65-R101 PolarHBondContact NZ-O 2.96Å; L90-R101 WeakPolarHBondContact O-CA 3.34Å; I91-R101 HydrophobicContact CG1-CG 4.36Å; I91-R101 HydrophobicContact CG2-CG 4.42Å; T99-R101 HydrophobicContact CG2-CG 4.18Å; R101-A425 PolarHBondContact NH1-O 3.11Å; R101-A425 PolarHBondContact NH2-O 3.25Å; R101-S426 PolarHBondContact NH2-O 3.47Å
102	C	92.4	Very high	93.3	Very high	12 Å²	12	31.9 Å²	31.9	8%	0.081	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	164.8	170.5	58.7	0	0	0	0	110.2	T49 L63 Q89 L90	T49-C102 HydrophobicContact CG2-CB 4Å; L63-C102 HydrophobicContact CD1-CB 3.77Å; L63-C102 HydrophobicContact CD2-CB 3.84Å; L63-C102 HydrophobicContact CG-CB 4.48Å; Q89-C102 CarbonylContact C-O 3.46Å; Q89-C102 WeakPolarHBondContact CA-O 3.46Å; L90-C102 PolarHBondContact N-O 2.69Å; L90-C102 PolarHBondContact O-N 3.35Å; L90-C102 VanDerWaalsContact O-N 3.14Å
103	S	94.2	Very high	93.4	Very high	42 Å²	42	31.7 Å²	31.7	29%	0.294	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	157.9	179.3	-55.9	0	0	0	0	110.6	T49 D50 F88	T49-S103 WeakPolarHBondContact CA-O 3.45Å; T49-S103 VanDerWaalsContact CB-O 3.3Å; T49-S103 WeakPolarHBondContact CB-O 3.35Å; D50-S103 PolarHBondContact N-O 3.27Å; D50-S103 WeakPolarHBondContact OD2-CB 3.42Å; F88-S103 CarbonylContact O-C 3.57Å; F88-S103 VanDerWaalsContact O-CA 3.3Å; F88-S103 WeakPolarHBondContact O-CA 3.43Å
104	F	95.6	Very high	93.6	Very high	1 Å²	1	33.9 Å²	33.9	0%	0.004	19%	0.191	C	C	.	.			trans	-128.2	146.4	-178.8	-66.7	-92.6	0	0	0	113.2	R48 T49 D50 L54 F88 L90 S106 Q109 C110 W113	R48-F104 WeakPolarHBondContact O-CD1 3.47Å; R48-F104 WeakPolarHBondContact O-CE1 3.42Å; T49-F104 HydrophobicContact CG2-CD1 4.4Å; T49-F104 HydrophobicContact CG2-CE1 3.83Å; T49-F104 HydrophobicContact CG2-CE2 4.49Å; T49-F104 HydrophobicContact CG2-CZ 3.9Å; D50-F104 VanDerWaalsContact OD1-C 3.29Å; D50-F104 WeakPolarHBondContact OD2-CA 3.12Å; D50-F104 PolarHBondContact OD2-N 3.15Å; L54-F104 HydrophobicContact CD2-CE1 4.45Å; L54-F104 HydrophobicContact CD2-CZ 3.71Å; F88-F104 PolarHBondContact O-N 3.33Å; L90-F104 HydrophobicContact CB-CD2 4.36Å; L90-F104 HydrophobicContact CB-CE2 3.75Å; L90-F104 HydrophobicContact CD2-CE2 3.9Å; L90-F104 HydrophobicContact CD2-CZ 4.27Å; L90-F104 HydrophobicContact CG-CE2 4.42Å; F104-S106 PolarHBondContact O-N 2.8Å; F104-Q109 HydrophobicContact CB-CB 4.11Å; F104-Q109 HydrophobicContact CD1-CB 4.04Å; F104-Q109 HydrophobicContact CG-CB 4.33Å; F104-C110 HydrophobicContact CB-CB 4.07Å; F104-C110 HydrophobicContact CD2-CB 3.81Å; F104-C110 HydrophobicContact CG-CB 4.18Å; F104-W113 HydrophobicContact CE1-CB 4.2Å; F104-W113 AromaticContact CE1-CD1 3.25Å; F104-W113 HydrophobicContact CE1-CD2 4.4Å; F104-W113 AromaticContact CE1-CG 3.69Å; F104-W113 HydrophobicContact CE1-CG 3.69Å; F104-W113 AromaticContact CE1-NE1 3.75Å; F104-W113 HydrophobicContact CE2-CB 4.27Å; F104-W113 HydrophobicContact CZ-CB 3.71Å; F104-W113 AromaticContact CZ-CD1 3.68Å; F104-W113 HydrophobicContact CZ-CD2 4.33Å; F104-W113 AromaticContact CZ-CG 3.6Å; F104-W113 HydrophobicContact CZ-CG 3.6Å
105	P	92.9	Very high	93.7	Very high	83 Å²	83	41.8 Å²	41.8	54%	0.539	22%	0.221	S	C	.	.	S	Bend	trans	-59.4	-17.8	178.2	-26.7	32.9	0	0	0	115.5	D50	D50-P105 WeakPolarHBondContact OD1-CA 3.38Å; D50-P105 WeakPolarHBondContact OD1-CD 3.46Å; D50-P105 VanDerWaalsContact OD1-CG 3.3Å; D50-P105 WeakPolarHBondContact OD1-CG 3.42Å
106	S	94.4	Very high	93.7	Very high	33 Å²	33	42.4 Å²	42.4	23%	0.231	22%	0.223	C	C	.	.	S	Bend	trans	-142.7	150	174	85	0	0	0	0	112.8	F104 E108 Q109 C110	F104-S106 PolarHBondContact O-N 2.8Å; S106-E108 PolarHBondContact O-N 2.99Å; S106-Q109 PolarHBondContact O-N 3.27Å; S106-Q109 PolarHBondContact OG-N 2.79Å; S106-Q109 VanDerWaalsContact OG-N 3.15Å; S106-C110 PolarHBondContact O-N 3.08Å; S106-C110 VanDerWaalsContact O-N 3.07Å
107	A	95.1	Very high	93.9	Very high	29 Å²	29	42.3 Å²	42.3	24%	0.24	22%	0.222	C	C	.	.	H	α-helix	trans	-63.4	-26.9	175	0	0	0	0	0	112.6	L87 F88 S111	L87-A107 HydrophobicContact CB-CB 3.94Å; L87-A107 WeakPolarHBondContact O-CA 3.37Å; F88-A107 HydrophobicContact CD1-CB 4.43Å; F88-A107 HydrophobicContact CE1-CB 4.16Å; A107-S111 VanDerWaalsContact O-CB 3.27Å; A107-S111 WeakPolarHBondContact O-CB 3.26Å; A107-S111 PolarHBondContact O-N 2.83Å; A107-S111 PolarHBondContact O-OG 2.71Å
108	E	94.4	Very high	93.8	Very high	160 Å²	160	48.1 Å²	48.1	75%	0.748	25%	0.249	S	C	*	.	H	α-helix	trans	-67	-47.2	174.5	-176	174.5	-155.8	0	0	111.1	S106 S111 D112	S106-E108 PolarHBondContact O-N 2.99Å; E108-S111 PolarHBondContact O-N 3.05Å; E108-D112 PolarHBondContact O-N 3.09Å
109	Q	94.1	Very high	93.9	Very high	69 Å²	69	53.7 Å²	53.7	32%	0.322	28%	0.276	S	S	.	.	H	α-helix	trans	-62.1	-45.1	174.6	-73.1	175.7	1.6	0	0	111.5	F104 S106 S111 D112 W113	F104-Q109 HydrophobicContact CB-CB 4.11Å; F104-Q109 HydrophobicContact CD1-CB 4.04Å; F104-Q109 HydrophobicContact CG-CB 4.33Å; S106-Q109 PolarHBondContact O-N 3.27Å; S106-Q109 PolarHBondContact OG-N 2.79Å; S106-Q109 VanDerWaalsContact OG-N 3.15Å; Q109-S111 VanDerWaalsContact C-N 3.32Å; Q109-S111 PolarHBondContact O-N 3.33Å; Q109-D112 PolarHBondContact O-N 3.02Å; Q109-W113 WeakPolarHBondContact O-CB 3.47Å; Q109-W113 PolarHBondContact O-N 3.01Å
110	C	95.9	Very high	93.9	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59.1	-43.1	176.9	-166.4	0	0	0	0	112.1	F88 F104 S106 Q114	F88-C110 VanDerWaalsContact C-SG 3.6Å; F88-C110 PolarHBondContact O-SG 2.88Å; F104-C110 HydrophobicContact CB-CB 4.07Å; F104-C110 HydrophobicContact CD2-CB 3.81Å; F104-C110 HydrophobicContact CG-CB 4.18Å; S106-C110 PolarHBondContact O-N 3.08Å; S106-C110 VanDerWaalsContact O-N 3.07Å; C110-Q114 PolarHBondContact O-N 2.87Å
111	S	95.3	Very high	93.9	Very high	61 Å²	61	55.9 Å²	55.9	43%	0.427	29%	0.286	S	S	.	.	H	α-helix	trans	-69.1	-40	178.8	-58.4	0	0	0	0	112.7	A107 E108 Q109 Q114 R115	A107-S111 VanDerWaalsContact O-CB 3.27Å; A107-S111 WeakPolarHBondContact O-CB 3.26Å; A107-S111 PolarHBondContact O-N 2.83Å; A107-S111 PolarHBondContact O-OG 2.71Å; E108-S111 PolarHBondContact O-N 3.05Å; Q109-S111 VanDerWaalsContact C-N 3.32Å; Q109-S111 PolarHBondContact O-N 3.33Å; S111-Q114 WeakPolarHBondContact O-CB 3.42Å; S111-Q114 PolarHBondContact O-N 2.88Å; S111-R115 WeakPolarHBondContact O-CB 3.42Å; S111-R115 PolarHBondContact O-N 3.01Å
112	D	95.1	Very high	93.6	Very high	54 Å²	54	57.2 Å²	57.2	29%	0.289	31%	0.308	S	S	.	.	H	α-helix	trans	-71.3	-37.6	177.6	-164.8	51.5	0	0	0	111.5	E108 Q109 Q114 R115 R116	E108-D112 PolarHBondContact O-N 3.09Å; Q109-D112 PolarHBondContact O-N 3.02Å; D112-Q114 PolarHBondContact O-N 2.9Å; D112-R115 WeakPolarHBondContact O-CB 3.35Å; D112-R115 PolarHBondContact O-N 3.05Å; D112-R115 VanDerWaalsContact O-N 3.17Å; D112-R116 WeakPolarHBondContact O-CB 3.4Å; D112-R116 VanDerWaalsContact O-CG 3.26Å; D112-R116 WeakPolarHBondContact O-CG 3.42Å; D112-R116 PolarHBondContact O-N 2.98Å; D112-R116 IonicContact OD2-CZ 3.36Å; D112-R116 IonicContact OD2-NE 3.83Å; D112-R116 PolarHBondContact OD2-NE 3.43Å; D112-R116 IonicContact OD2-NH2 3.1Å; D112-R116 PolarHBondContact OD2-NH2 3.34Å
113	W	96.2	Very high	93.2	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-64.2	-38.5	170.9	-86.4	98.7	0	0	0	113.1	E27 L54 L56 L90 F104 Q109 R115 I117	E27-W113 PolarHBondContact OE1-NE1 3Å; L54-W113 HydrophobicContact CB-CH2 4.43Å; L54-W113 HydrophobicContact CD2-CD2 3.63Å; L54-W113 HydrophobicContact CD2-CE3 3.36Å; L54-W113 HydrophobicContact CD2-CG 4.15Å; L54-W113 HydrophobicContact CD2-CH2 4.41Å; L54-W113 HydrophobicContact CD2-CZ3 3.78Å; L54-W113 HydrophobicContact CG-CD2 4.34Å; L54-W113 HydrophobicContact CG-CE3 3.87Å; L54-W113 HydrophobicContact CG-CH2 4.09Å; L54-W113 HydrophobicContact CG-CZ3 3.71Å; L54-W113 WeakPolarHBondContact O-CH2 3.43Å; L56-W113 HydrophobicContact CB-CH2 4.47Å; L56-W113 HydrophobicContact CB-CZ3 3.81Å; L90-W113 HydrophobicContact CD2-CB 4.26Å; F104-W113 HydrophobicContact CE1-CB 4.2Å; F104-W113 AromaticContact CE1-CD1 3.25Å; F104-W113 HydrophobicContact CE1-CD2 4.4Å; F104-W113 AromaticContact CE1-CG 3.69Å; F104-W113 HydrophobicContact CE1-CG 3.69Å; F104-W113 AromaticContact CE1-NE1 3.75Å; F104-W113 HydrophobicContact CE2-CB 4.27Å; F104-W113 HydrophobicContact CZ-CB 3.71Å; F104-W113 AromaticContact CZ-CD1 3.68Å; F104-W113 HydrophobicContact CZ-CD2 4.33Å; F104-W113 AromaticContact CZ-CG 3.6Å; F104-W113 HydrophobicContact CZ-CG 3.6Å; Q109-W113 WeakPolarHBondContact O-CB 3.47Å; Q109-W113 PolarHBondContact O-N 3.01Å; W113-R115 VanDerWaalsContact C-N 3.33Å; W113-R115 PolarHBondContact O-N 3.13Å; W113-I117 WeakPolarHBondContact O-CG1 3.29Å; W113-I117 PolarHBondContact O-N 3.15Å; W113-I117 VanDerWaalsContact O-N 3.13Å
114	Q	96.1	Very high	92.9	Very high	62 Å²	62	57.3 Å²	57.3	29%	0.29	31%	0.307	S	S	.	.	H	α-helix	trans	-57.1	-48.1	169.4	-170.3	-170.2	20	0	0	110.8	V82 V84 L90 C110 S111 D112 I117 H118	V82-Q114 HydrophobicContact CB-CG 4.36Å; V82-Q114 HydrophobicContact CG1-CG 4.07Å; V82-Q114 PolarHBondContact O-NE2 2.93Å; V84-Q114 HydrophobicContact CG2-CB 3.89Å; V84-Q114 HydrophobicContact CG2-CG 4.15Å; L90-Q114 HydrophobicContact CD1-CB 3.75Å; L90-Q114 HydrophobicContact CD1-CG 4.26Å; C110-Q114 PolarHBondContact O-N 2.87Å; S111-Q114 WeakPolarHBondContact O-CB 3.42Å; S111-Q114 PolarHBondContact O-N 2.88Å; D112-Q114 PolarHBondContact O-N 2.9Å; Q114-I117 PolarHBondContact O-N 3.38Å; Q114-H118 VanDerWaalsContact O-CB 3.27Å; Q114-H118 WeakPolarHBondContact O-CB 3.47Å; Q114-H118 PolarHBondContact O-N 2.73Å
115	R	95.3	Very high	92.4	Very high	167 Å²	167	66.2 Å²	66.2	63%	0.63	35%	0.349	S	S	*	.	H	α-helix	trans	-62.4	-48.2	-179.9	-174.5	-174.7	-178.9	-162.7	1	112.4	S111 D112 W113 I117 H118 L119	S111-R115 WeakPolarHBondContact O-CB 3.42Å; S111-R115 PolarHBondContact O-N 3.01Å; D112-R115 WeakPolarHBondContact O-CB 3.35Å; D112-R115 PolarHBondContact O-N 3.05Å; D112-R115 VanDerWaalsContact O-N 3.17Å; W113-R115 VanDerWaalsContact C-N 3.33Å; W113-R115 PolarHBondContact O-N 3.13Å; R115-I117 PolarHBondContact O-N 3.43Å; R115-H118 PolarHBondContact O-N 3.1Å; R115-L119 HydrophobicContact CG-CD1 4.12Å; R115-L119 WeakPolarHBondContact O-CG 3.45Å; R115-L119 PolarHBondContact O-N 2.99Å
116	R	95.4	Very high	92.4	Very high	38 Å²	38	64.3 Å²	64.3	14%	0.143	34%	0.337	C	S	.	.	H	α-helix	trans	-56.5	-46.7	178.3	-71.1	171.6	-164	175.2	10	111.5	E27 Y45 L56 D112	E27-R116 IonicContact OE1-CZ 2.72Å; E27-R116 IonicContact OE1-NH1 3.58Å; E27-R116 PolarHBondContact OE1-NH1 2.93Å; E27-R116 IonicContact OE1-NH2 3.4Å; E27-R116 PolarHBondContact OE1-NH2 3.24Å; E27-R116 VanDerWaalsContact OE1-NH2 3.1Å; Y45-R116 HydrophobicContact CD1-CG 4.32Å; Y45-R116 HydrophobicContact CD2-CB 4.36Å; Y45-R116 HydrophobicContact CD2-CG 4.38Å; Y45-R116 HydrophobicContact CE1-CG 4.33Å; Y45-R116 HydrophobicContact CE2-CB 4.49Å; Y45-R116 HydrophobicContact CE2-CG 4.38Å; Y45-R116 HydrophobicContact CG-CG 4.37Å; L56-R116 HydrophobicContact CD2-CB 4.02Å; D112-R116 WeakPolarHBondContact O-CB 3.4Å; D112-R116 VanDerWaalsContact O-CG 3.26Å; D112-R116 WeakPolarHBondContact O-CG 3.42Å; D112-R116 PolarHBondContact O-N 2.98Å; D112-R116 IonicContact OD2-CZ 3.36Å; D112-R116 IonicContact OD2-NE 3.83Å; D112-R116 PolarHBondContact OD2-NE 3.43Å; D112-R116 IonicContact OD2-NH2 3.1Å; D112-R116 PolarHBondContact OD2-NH2 3.34Å
117	I	95.9	Very high	92.4	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-70.3	-41.5	178.2	-57.5	162.9	0	0	0	110.5	L56 I61 I79 V82 L90 W113 Q114 R115 L119 M120 I121	L56-I117 HydrophobicContact CD2-CG1 3.94Å; I61-I117 HydrophobicContact CG2-CD1 4.26Å; I61-I117 HydrophobicContact CG2-CG1 4.21Å; I79-I117 HydrophobicContact CD1-CG2 4Å; V82-I117 HydrophobicContact CG2-CB 4.24Å; V82-I117 HydrophobicContact CG2-CG2 3.7Å; L90-I117 HydrophobicContact CD2-CD1 3.98Å; W113-I117 WeakPolarHBondContact O-CG1 3.29Å; W113-I117 PolarHBondContact O-N 3.15Å; W113-I117 VanDerWaalsContact O-N 3.13Å; Q114-I117 PolarHBondContact O-N 3.38Å; R115-I117 PolarHBondContact O-N 3.43Å; I117-L119 VanDerWaalsContact C-N 3.28Å; I117-L119 PolarHBondContact O-N 2.76Å; I117-M120 PolarHBondContact O-N 3.35Å; I117-I121 HydrophobicContact CG2-CG2 4.07Å; I117-I121 PolarHBondContact O-N 2.99Å
118	H	93.3	Very high	92.2	Very high	124 Å²	124	64.8 Å²	64.8	57%	0.574	33%	0.331	S	S	*	.	H	α-helix	trans	-59.7	-38.3	-179.9	-165.4	67.9	0	0	0	112.6	Q114 R115 M120	Q114-H118 VanDerWaalsContact O-CB 3.27Å; Q114-H118 WeakPolarHBondContact O-CB 3.47Å; Q114-H118 PolarHBondContact O-N 2.73Å; R115-H118 PolarHBondContact O-N 3.1Å; H118-M120 PolarHBondContact O-N 3.21Å
119	L	91.6	Very high	92.1	Very high	131 Å²	131	61.1 Å²	61.1	69%	0.686	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-9.4	173.7	-70.4	169.4	0	0	0	114.4	R115 I117	R115-L119 HydrophobicContact CG-CD1 4.12Å; R115-L119 WeakPolarHBondContact O-CG 3.45Å; R115-L119 PolarHBondContact O-N 2.99Å; I117-L119 VanDerWaalsContact C-N 3.28Å; I117-L119 PolarHBondContact O-N 2.76Å
120	M	90.3	Very high	92.1	Very high	39 Å²	39	58.7 Å²	58.7	19%	0.192	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-1.5	-177.4	-66.2	-165.9	62.8	0	0	114.6	K44 L56 S57 L76 I117 H118	K44-M120 HydrophobicContact CD-CE 3.8Å; K44-M120 HydrophobicContact CD-SD 3.87Å; K44-M120 HydrophobicContact CG-CE 4.4Å; L56-M120 HydrophobicContact CD1-CE 4.32Å; L56-M120 HydrophobicContact CD1-SD 3.88Å; L56-M120 HydrophobicContact CD2-SD 3.74Å; L56-M120 HydrophobicContact CG-SD 3.72Å; S57-M120 WeakPolarHBondContact O-CE 3.44Å; L76-M120 HydrophobicContact CD1-CB 4.15Å; L76-M120 HydrophobicContact CD1-CE 3.94Å; I117-M120 PolarHBondContact O-N 3.35Å; H118-M120 PolarHBondContact O-N 3.21Å
121	I	90.1	Very high	92.1	Very high	41 Å²	41	59.2 Å²	59.2	21%	0.21	31%	0.311	C	S	.	.	S	Bend	trans	-112.1	17.3	177.7	65.1	173.5	0	0	0	112.8	L76 I79 V82 I117	L76-I121 HydrophobicContact CB-CG2 4.4Å; L76-I121 HydrophobicContact CD2-CG2 4.06Å; I79-I121 HydrophobicContact CB-CG2 3.91Å; I79-I121 HydrophobicContact CD1-CG2 4.1Å; I79-I121 HydrophobicContact CG2-CD1 3.77Å; I79-I121 HydrophobicContact CG2-CG2 4.06Å; V82-I121 HydrophobicContact CG2-CD1 4.18Å; I117-I121 HydrophobicContact CG2-CG2 4.07Å; I117-I121 PolarHBondContact O-N 2.99Å
122	G	83.1	Confident	92.2	Very high	56 Å²	56	56.3 Å²	56.3	58%	0.577	29%	0.291	S	S	*	.	S	Bend	trans	-67.1	167.9	174.2	0	0	0	0	0	113
123	V	82.9	Confident	92.2	Very high	40 Å²	40	53.8 Å²	53.8	24%	0.242	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-69	133.1	173.1	179.5	0	0	0	0	108.8	G521 D525 R530	V123-G521 WeakPolarHBondContact CG1-O 3.33Å; V123-D525 WeakPolarHBondContact CB-OD1 3.47Å; V123-D525 WeakPolarHBondContact CG2-OD1 3.38Å; V123-R530 VanDerWaalsContact CG2-NH2 3.32Å
124	P	87.1	Confident	92.1	Very high	16 Å²	16	54.2 Å²	54.2	10%	0.104	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-69.1	133.1	-177.6	28.3	-37.5	0	0	0	112.2	S126 T129 L130 P522	P124-S126 PolarHBondContact O-N 2.92Å; P124-T129 WeakPolarHBondContact CB-OG1 3.47Å; P124-L130 HydrophobicContact CB-CD2 4.08Å; P124-L130 HydrophobicContact CB-CG 4.22Å; P124-L130 HydrophobicContact CG-CD1 4.49Å; P124-L130 HydrophobicContact CG-CD2 3.91Å; P124-L130 HydrophobicContact CG-CG 4.2Å; P124-P522 HydrophobicContact CG-CG 4.43Å; P124-P522 VanDerWaalsContact O-CA 3.24Å; P124-P522 WeakPolarHBondContact O-CA 3.32Å
125	E	86.8	Confident	92.1	Very high	188 Å²	188	52 Å²	52	88%	0.879	27%	0.27	S	S	*	.	S	Bend	trans	-66.4	-36.6	176.8	-64.2	-179	174.9	0	0	112.5
126	S	93	Very high	92	Very high	43 Å²	43	45.6 Å²	45.6	30%	0.301	25%	0.246	S	C	.	.	S	Bend	trans	-141.2	162.1	173.8	95.1	0	0	0	0	111.3	P124 E128 T129	P124-S126 PolarHBondContact O-N 2.92Å; S126-E128 WeakPolarHBondContact CB-OE2 3.45Å; S126-E128 PolarHBondContact O-N 2.92Å; S126-E128 PolarHBondContact OG-N 3.34Å; S126-E128 PolarHBondContact OG-OE2 3Å; S126-T129 PolarHBondContact O-N 3.16Å; S126-T129 VanDerWaalsContact O-N 3.16Å; S126-T129 PolarHBondContact O-OG1 3.39Å
127	L	92.8	Very high	91.9	Very high	13 Å²	13	44.9 Å²	44.9	7%	0.068	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-60.9	-33.3	-179.5	-73.4	170	0	0	0	112.3	T129 L130 F133 P522 N585	L127-T129 PolarHBondContact O-N 3.11Å; L127-L130 HydrophobicContact CD2-CD1 4.07Å; L127-L130 VanDerWaalsContact O-CB 3.28Å; L127-L130 WeakPolarHBondContact O-CB 3.3Å; L127-L130 PolarHBondContact O-N 3.16Å; L127-F133 HydrophobicContact CB-CE2 3.85Å; L127-F133 HydrophobicContact CB-CZ 3.9Å; L127-F133 WeakPolarHBondContact O-CD2 3.5Å; L127-F133 VanDerWaalsContact O-CE2 3.23Å; L127-F133 WeakPolarHBondContact O-CE2 3.46Å; L127-P522 HydrophobicContact CD2-CG 4.27Å; L127-P522 HydrophobicContact CG-CG 4.12Å; L127-N585 HydrophobicContact CD1-CB 3.53Å; L127-N585 VanDerWaalsContact CD1-CG 3.47Å
128	E	92	Very high	91.8	Very high	58 Å²	58	47.3 Å²	47.3	27%	0.271	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-59.7	-24.7	178	-67.6	69.7	-156	0	0	113.5	Y19 S126 L130 R590	Y19-E128 HydrophobicContact CE1-CB 4.39Å; S126-E128 WeakPolarHBondContact CB-OE2 3.45Å; S126-E128 PolarHBondContact O-N 2.92Å; S126-E128 PolarHBondContact OG-N 3.34Å; S126-E128 PolarHBondContact OG-OE2 3Å; E128-L130 PolarHBondContact O-N 2.94Å; E128-R590 VanDerWaalsContact CG-NH2 3.27Å; E128-R590 IonicContact OE1-CZ 2.75Å; E128-R590 IonicContact OE1-NH1 3.71Å; E128-R590 PolarHBondContact OE1-NH1 2.86Å; E128-R590 IonicContact OE1-NH2 3.27Å; E128-R590 PolarHBondContact OE1-NH2 2.79Å
129	T	91.5	Very high	91.7	Very high	83 Å²	83	42 Å²	42	51%	0.509	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-73.2	-17.9	176.1	69.3	0	0	0	0	112.7	P124 S126 L127	P124-T129 WeakPolarHBondContact CB-OG1 3.47Å; S126-T129 PolarHBondContact O-N 3.16Å; S126-T129 VanDerWaalsContact O-N 3.16Å; S126-T129 PolarHBondContact O-OG1 3.39Å; L127-T129 PolarHBondContact O-N 3.11Å
130	L	94.6	Very high	91.4	Very high	19 Å²	19	38.1 Å²	38.1	10%	0.099	22%	0.215	C	C	.	.	S	Bend	trans	-77	133.7	176.9	-65.3	173.6	0	0	0	111.4	P124 L127 E128 A132 F133 P134 N520 C569 L575	P124-L130 HydrophobicContact CB-CD2 4.08Å; P124-L130 HydrophobicContact CB-CG 4.22Å; P124-L130 HydrophobicContact CG-CD1 4.49Å; P124-L130 HydrophobicContact CG-CD2 3.91Å; P124-L130 HydrophobicContact CG-CG 4.2Å; L127-L130 HydrophobicContact CD2-CD1 4.07Å; L127-L130 VanDerWaalsContact O-CB 3.28Å; L127-L130 WeakPolarHBondContact O-CB 3.3Å; L127-L130 PolarHBondContact O-N 3.16Å; E128-L130 PolarHBondContact O-N 2.94Å; L130-A132 PolarHBondContact O-N 3.49Å; L130-F133 HydrophobicContact CB-CD2 4.5Å; L130-F133 PolarHBondContact O-N 3.39Å; L130-P134 WeakPolarHBondContact O-CD 3.36Å; L130-N520 WeakPolarHBondContact CD1-O 3.4Å; L130-N520 WeakPolarHBondContact CD2-O 3.49Å; L130-C569 HydrophobicContact CD2-CB 4.18Å; L130-L575 HydrophobicContact CD1-CD1 4.26Å; L130-L575 HydrophobicContact CD1-CD2 3.83Å
131	F	96.1	Very high	91.2	Very high	10 Å²	10	38.8 Å²	38.8	4%	0.044	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-27.3	-168.6	-171.9	-107.2	0	0	0	115.7	L38 A39 E41 Y59 F133 P134 F135 L570	L38-F131 HydrophobicContact CB-CE1 4.38Å; L38-F131 HydrophobicContact CB-CZ 4.22Å; L38-F131 HydrophobicContact CD1-CE1 4.02Å; A39-F131 WeakPolarHBondContact O-CZ 3.47Å; E41-F131 HydrophobicContact CB-CE2 4.09Å; E41-F131 HydrophobicContact CB-CZ 3.84Å; Y59-F131 HydrophobicContact CD1-CD1 4.22Å; Y59-F131 HydrophobicContact CD1-CE1 4.08Å; Y59-F131 HydrophobicContact CD2-CB 3.81Å; Y59-F131 AromaticContact CD2-CD1 3.2Å; Y59-F131 HydrophobicContact CD2-CD1 3.2Å; Y59-F131 HydrophobicContact CD2-CD2 4.48Å; Y59-F131 AromaticContact CD2-CE1 3.9Å; Y59-F131 HydrophobicContact CD2-CE1 3.9Å; Y59-F131 AromaticContact CD2-CG 3.56Å; Y59-F131 HydrophobicContact CD2-CG 3.56Å; Y59-F131 AromaticContact CE2-CD1 3.86Å; Y59-F131 HydrophobicContact CE2-CD1 3.86Å; Y59-F131 HydrophobicContact CG-CB 4.5Å; Y59-F131 AromaticContact CG-CD1 3.43Å; Y59-F131 HydrophobicContact CG-CD1 3.43Å; Y59-F131 VanDerWaalsContact CG-CD1 3.43Å; Y59-F131 HydrophobicContact CG-CD2 4.36Å; Y59-F131 AromaticContact CG-CE1 3.66Å; Y59-F131 HydrophobicContact CG-CE1 3.66Å; Y59-F131 AromaticContact CG-CG 3.82Å; Y59-F131 HydrophobicContact CG-CG 3.82Å; Y59-F131 HydrophobicContact CG-CZ 4.24Å; F131-F133 PolarHBondContact O-N 2.64Å; F131-F133 VanDerWaalsContact O-N 3.14Å; F131-P134 HydrophobicContact CD2-CB 4.41Å; F131-P134 HydrophobicContact CE2-CB 4.49Å; F131-P134 WeakPolarHBondContact O-CD 3.44Å; F131-F135 HydrophobicContact CD1-CB 4.03Å; F131-F135 HydrophobicContact CE1-CB 3.7Å; F131-F135 HydrophobicContact CE1-CD2 4.21Å; F131-F135 HydrophobicContact CE1-CG 4.1Å; F131-F135 HydrophobicContact CZ-CB 4.08Å; F131-F135 WeakPolarHBondContact O-CB 3.49Å; F131-F135 PolarHBondContact O-N 3.07Å; F131-L570 HydrophobicContact CD1-CD1 3.72Å; F131-L570 HydrophobicContact CE1-CD1 3.67Å
132	A	96.3	Very high	90.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-51.2	-33.2	173.3	0	0	0	0	0	114.2	L130 Y136 C569 L575 T591	L130-A132 PolarHBondContact O-N 3.49Å; A132-Y136 WeakPolarHBondContact O-CB 3.4Å; A132-Y136 PolarHBondContact O-N 3.4Å; A132-Y136 VanDerWaalsContact O-N 3.13Å; A132-C569 WeakPolarHBondContact CB-O 3.31Å; A132-C569 PolarHBondContact N-O 3.33Å; A132-L575 HydrophobicContact CB-CD1 4.47Å; A132-T591 HydrophobicContact CB-CG2 3.82Å
133	F	95.3	Very high	90.5	Very high	1 Å²	1	41 Å²	41	0%	0.004	22%	0.222	C	C	.	.	H	α-helix	trans	-79.4	-51.6	-179.4	-68.1	-98.8	0	0	0	112.7	L127 L130 F131 F135 Y136 S137 L575 V587 R590 T591	L127-F133 HydrophobicContact CB-CE2 3.85Å; L127-F133 HydrophobicContact CB-CZ 3.9Å; L127-F133 WeakPolarHBondContact O-CD2 3.5Å; L127-F133 VanDerWaalsContact O-CE2 3.23Å; L127-F133 WeakPolarHBondContact O-CE2 3.46Å; L130-F133 HydrophobicContact CB-CD2 4.5Å; L130-F133 PolarHBondContact O-N 3.39Å; F131-F133 PolarHBondContact O-N 2.64Å; F131-F133 VanDerWaalsContact O-N 3.14Å; F133-F135 VanDerWaalsContact C-N 3.32Å; F133-F135 PolarHBondContact O-N 3.35Å; F133-Y136 PolarHBondContact O-N 3.25Å; F133-S137 WeakPolarHBondContact O-CB 3.33Å; F133-S137 PolarHBondContact O-N 2.9Å; F133-L575 HydrophobicContact CE2-CD1 3.87Å; F133-V587 HydrophobicContact CZ-CG2 4.36Å; F133-R590 HydrophobicContact CD1-CB 3.73Å; F133-R590 HydrophobicContact CE1-CB 3.68Å; F133-T591 HydrophobicContact CD1-CG2 4.05Å; F133-T591 HydrophobicContact CD2-CG2 3.91Å; F133-T591 HydrophobicContact CE1-CG2 3.96Å; F133-T591 HydrophobicContact CE2-CG2 3.8Å; F133-T591 HydrophobicContact CG-CG2 4.04Å; F133-T591 HydrophobicContact CZ-CG2 3.83Å
134	P	94.8	Very high	89.6	Confident	9 Å²	9	41.5 Å²	41.5	6%	0.058	24%	0.235	C	C	.	.	H	α-helix	trans	-52.3	-46	166.3	-26.4	30.8	0	0	0	113.3	Y19 L130 F131 Y136 S137 W138	Y19-P134 HydrophobicContact CD1-CB 4.23Å; Y19-P134 HydrophobicContact CD1-CG 3.65Å; Y19-P134 HydrophobicContact CE1-CG 4Å; Y19-P134 HydrophobicContact CG-CB 4.1Å; Y19-P134 HydrophobicContact CG-CG 4.04Å; L130-P134 WeakPolarHBondContact O-CD 3.36Å; F131-P134 HydrophobicContact CD2-CB 4.41Å; F131-P134 HydrophobicContact CE2-CB 4.49Å; F131-P134 WeakPolarHBondContact O-CD 3.44Å; P134-Y136 PolarHBondContact O-N 2.94Å; P134-S137 PolarHBondContact O-N 2.85Å; P134-W138 WeakPolarHBondContact O-CB 3.33Å; P134-W138 VanDerWaalsContact O-CD1 3.31Å; P134-W138 PolarHBondContact O-N 3.08Å
135	F	95.6	Very high	88.2	Confident	16 Å²	16	45.2 Å²	45.2	7%	0.07	26%	0.261	C	S	.	.	H	α-helix	trans	-58.9	-47.9	-178.8	176.6	-125.4	0	0	0	111.9	L38 A39 F131 F133 T139 L203 L570 F592	L38-F135 HydrophobicContact CB-CD2 4.37Å; L38-F135 HydrophobicContact CB-CE2 4.39Å; A39-F135 HydrophobicContact CB-CD2 4.17Å; A39-F135 HydrophobicContact CB-CE2 4.38Å; A39-F135 WeakPolarHBondContact O-CA 3.27Å; A39-F135 WeakPolarHBondContact O-CD2 3.35Å; F131-F135 HydrophobicContact CD1-CB 4.03Å; F131-F135 HydrophobicContact CE1-CB 3.7Å; F131-F135 HydrophobicContact CE1-CD2 4.21Å; F131-F135 HydrophobicContact CE1-CG 4.1Å; F131-F135 HydrophobicContact CZ-CB 4.08Å; F131-F135 WeakPolarHBondContact O-CB 3.49Å; F131-F135 PolarHBondContact O-N 3.07Å; F133-F135 VanDerWaalsContact C-N 3.32Å; F133-F135 PolarHBondContact O-N 3.35Å; F135-T139 VanDerWaalsContact O-CB 3.29Å; F135-T139 WeakPolarHBondContact O-CB 3.33Å; F135-T139 PolarHBondContact O-N 2.91Å; F135-T139 PolarHBondContact O-OG1 2.96Å; F135-L203 HydrophobicContact CE1-CD2 4.12Å; F135-L203 HydrophobicContact CZ-CD1 3.96Å; F135-L203 HydrophobicContact CZ-CD2 4.12Å; F135-L570 HydrophobicContact CB-CD1 4.42Å; F135-L570 HydrophobicContact CD1-CD1 3.57Å; F135-L570 HydrophobicContact CD1-CG 4.24Å; F135-L570 HydrophobicContact CD2-CD1 4.25Å; F135-L570 HydrophobicContact CE1-CD1 3.8Å; F135-L570 HydrophobicContact CE1-CG 4.2Å; F135-L570 HydrophobicContact CE2-CD1 4.47Å; F135-L570 HydrophobicContact CG-CD1 3.83Å; F135-L570 HydrophobicContact CZ-CD1 4.26Å; F135-F592 AromaticContact CD1-CD2 3.91Å; F135-F592 HydrophobicContact CD1-CD2 3.91Å; F135-F592 HydrophobicContact CD1-CE2 4.46Å; F135-F592 AromaticContact CE1-CD2 3.69Å; F135-F592 HydrophobicContact CE1-CD2 3.69Å; F135-F592 HydrophobicContact CE1-CE2 4.27Å; F135-F592 HydrophobicContact CZ-CD2 4.43Å
136	Y	93.8	Very high	86.1	Confident	32 Å²	32	39.3 Å²	39.3	13%	0.125	25%	0.251	C	S	.	.	H	α-helix	trans	-63.8	-49.4	175.7	173.8	-96.2	0	0	0	112.3	A132 F133 P134 W138 T139 C140 R205 D589 R590 F592	A132-Y136 WeakPolarHBondContact O-CB 3.4Å; A132-Y136 PolarHBondContact O-N 3.4Å; A132-Y136 VanDerWaalsContact O-N 3.13Å; F133-Y136 PolarHBondContact O-N 3.25Å; P134-Y136 PolarHBondContact O-N 2.94Å; Y136-W138 PolarHBondContact O-N 3.11Å; Y136-T139 PolarHBondContact O-N 3.31Å; Y136-C140 WeakPolarHBondContact O-CB 3.46Å; Y136-C140 PolarHBondContact O-N 3.13Å; Y136-C140 PolarHBondContact O-SG 3.19Å; Y136-R205 HydrophobicContact CE2-CG 4.06Å; Y136-R205 WeakPolarHBondContact OH-CD 3.22Å; Y136-D589 VanDerWaalsContact CE1-O 3.28Å; Y136-D589 WeakPolarHBondContact CE1-O 3.37Å; Y136-D589 VanDerWaalsContact CZ-O 3.25Å; Y136-D589 PolarHBondContact OH-O 3.15Å; Y136-R590 WeakPolarHBondContact CB-O 3.49Å; Y136-R590 WeakPolarHBondContact CD1-O 3.34Å; Y136-R590 VanDerWaalsContact CG-C 3.47Å; Y136-F592 AromaticContact CD2-CD1 3.83Å; Y136-F592 HydrophobicContact CD2-CD1 3.83Å; Y136-F592 HydrophobicContact CD2-CD2 4.09Å; Y136-F592 AromaticContact CD2-CE1 3.6Å; Y136-F592 HydrophobicContact CD2-CE1 3.6Å; Y136-F592 AromaticContact CD2-CE2 3.89Å; Y136-F592 HydrophobicContact CD2-CE2 3.89Å; Y136-F592 HydrophobicContact CD2-CG 4.07Å; Y136-F592 AromaticContact CD2-CZ 3.63Å; Y136-F592 HydrophobicContact CD2-CZ 3.63Å; Y136-F592 HydrophobicContact CE2-CD1 4.24Å; Y136-F592 AromaticContact CE2-CE1 3.87Å; Y136-F592 HydrophobicContact CE2-CE1 3.87Å; Y136-F592 HydrophobicContact CE2-CZ 4.22Å; Y136-F592 HydrophobicContact CG-CE2 4.48Å
137	S	92.5	Very high	83.6	Confident	23 Å²	23	44.6 Å²	44.6	16%	0.161	28%	0.276	C	S	.	.	H	α-helix	trans	-58.8	-50.2	-177.6	-163	0	0	0	0	111.7	A15 F133 P134 T139 C140 D141	A15-S137 VanDerWaalsContact CB-C 3.48Å; A15-S137 WeakPolarHBondContact CB-O 3.25Å; A15-S137 WeakPolarHBondContact CB-OG 3.27Å; F133-S137 WeakPolarHBondContact O-CB 3.33Å; F133-S137 PolarHBondContact O-N 2.9Å; P134-S137 PolarHBondContact O-N 2.85Å; S137-T139 PolarHBondContact O-N 3.32Å; S137-C140 PolarHBondContact O-N 2.88Å; S137-D141 PolarHBondContact O-N 3.39Å; S137-D141 VanDerWaalsContact O-N 3.09Å
138	W	93.3	Very high	80.8	Confident	52 Å²	52	46.6 Å²	46.6	20%	0.197	30%	0.299	C	S	.	.	H	α-helix	trans	-69	-31.3	-180	-81	88.6	0	0	0	112.8	A15 A16 Y19 K21 A39 P134 Y136 V142	A15-W138 HydrophobicContact CB-CB 4.15Å; A15-W138 HydrophobicContact CB-CD2 3.84Å; A15-W138 HydrophobicContact CB-CE3 4.49Å; A15-W138 HydrophobicContact CB-CG 3.62Å; A15-W138 PolarHBondContact O-NE1 2.82Å; A16-W138 HydrophobicContact CB-CH2 3.73Å; A16-W138 HydrophobicContact CB-CZ2 3.88Å; Y19-W138 WeakPolarHBondContact O-CZ2 3.26Å; Y19-W138 PolarHBondContact O-NE1 2.82Å; K21-W138 HydrophobicContact CG-CH2 4.13Å; K21-W138 HydrophobicContact CG-CZ2 3.88Å; A39-W138 HydrophobicContact CB-CB 4.06Å; P134-W138 WeakPolarHBondContact O-CB 3.33Å; P134-W138 VanDerWaalsContact O-CD1 3.31Å; P134-W138 PolarHBondContact O-N 3.08Å; Y136-W138 PolarHBondContact O-N 3.11Å; W138-V142 VanDerWaalsContact O-CG2 3.31Å; W138-V142 WeakPolarHBondContact O-CG2 3.27Å; W138-V142 PolarHBondContact O-N 3.34Å
139	T	91.2	Very high	78.1	Confident	13 Å²	13	50 Å²	50	8%	0.08	33%	0.33	C	S	.	.	H	α-helix	trans	-66.9	-41.8	173.4	-57.4	0	0	0	0	111	A39 F135 Y136 S137 V142 L143 L203 F592	A39-T139 VanDerWaalsContact CB-OG1 3.27Å; A39-T139 WeakPolarHBondContact CB-OG1 3.24Å; F135-T139 VanDerWaalsContact O-CB 3.29Å; F135-T139 WeakPolarHBondContact O-CB 3.33Å; F135-T139 PolarHBondContact O-N 2.91Å; F135-T139 PolarHBondContact O-OG1 2.96Å; Y136-T139 PolarHBondContact O-N 3.31Å; S137-T139 PolarHBondContact O-N 3.32Å; T139-V142 PolarHBondContact O-N 2.69Å; T139-L143 HydrophobicContact CG2-CD1 3.97Å; T139-L143 HydrophobicContact CG2-CG 4.39Å; T139-L143 WeakPolarHBondContact O-CG 3.11Å; T139-L143 PolarHBondContact O-N 2.87Å; T139-L203 HydrophobicContact CG2-CD1 4.08Å; T139-F592 HydrophobicContact CG2-CE2 3.84Å; T139-F592 HydrophobicContact CG2-CZ 3.73Å
140	C	86.3	Confident	75.2	Confident	49 Å²	49	49 Å²	49	33%	0.331	34%	0.337	S	S	.	.	H	α-helix	trans	-62.6	-43.1	176.8	-70.7	0	0	0	0	112.4	Y136 S137 V142 L143 G144	Y136-C140 WeakPolarHBondContact O-CB 3.46Å; Y136-C140 PolarHBondContact O-N 3.13Å; Y136-C140 PolarHBondContact O-SG 3.19Å; S137-C140 PolarHBondContact O-N 2.88Å; C140-V142 PolarHBondContact O-N 2.95Å; C140-L143 PolarHBondContact O-N 2.98Å; C140-G144 PolarHBondContact O-N 3.26Å
141	D	86.1	Confident	71.9	Confident	52 Å²	52	56 Å²	56	28%	0.278	37%	0.372	S	S	.	.	H	α-helix	trans	-60.4	-42.4	175.2	-88.3	26.5	0	0	0	112.2	A15 S137 S145	A15-D141 HydrophobicContact CB-CB 4.12Å; A15-D141 VanDerWaalsContact CB-OD2 3.32Å; A15-D141 WeakPolarHBondContact CB-OD2 3.31Å; A15-D141 PolarHBondContact N-OD2 3Å; S137-D141 PolarHBondContact O-N 3.39Å; S137-D141 VanDerWaalsContact O-N 3.09Å; D141-S145 VanDerWaalsContact O-CB 3.28Å; D141-S145 WeakPolarHBondContact O-CB 3.29Å; D141-S145 PolarHBondContact O-N 3.4Å; D141-S145 PolarHBondContact O-OG 3Å
142	V	81.6	Confident	68.7	Low	99 Å²	99	61.8 Å²	61.8	60%	0.6	41%	0.408	S	S	*	.	H	α-helix	trans	-65.6	-45.7	178.6	169.4	0	0	0	0	111.5	W138 T139 C140	W138-V142 VanDerWaalsContact O-CG2 3.31Å; W138-V142 WeakPolarHBondContact O-CG2 3.27Å; W138-V142 PolarHBondContact O-N 3.34Å; T139-V142 PolarHBondContact O-N 2.69Å; C140-V142 PolarHBondContact O-N 2.95Å
143	L	77.6	Confident	65.4	Low	45 Å²	45	67.4 Å²	67.4	24%	0.236	45%	0.448	C	S	.	.	H	α-helix	trans	-68.4	-41.6	178.1	-67.1	174.5	0	0	0	112	T139 C140 G146 S196	T139-L143 HydrophobicContact CG2-CD1 3.97Å; T139-L143 HydrophobicContact CG2-CG 4.39Å; T139-L143 WeakPolarHBondContact O-CG 3.11Å; T139-L143 PolarHBondContact O-N 2.87Å; C140-L143 PolarHBondContact O-N 2.98Å; L143-G146 PolarHBondContact O-N 2.94Å; L143-S196 WeakPolarHBondContact CD2-OG 3.5Å
144	G	64.3	Low	62.1	Low	50 Å²	50	71.4 Å²	71.4	52%	0.515	48%	0.481	S	S	.	.	H	α-helix	trans	-65.4	-39.1	179	0	0	0	0	0	113	C140 G146 N147	C140-G144 PolarHBondContact O-N 3.26Å; G144-G146 PolarHBondContact O-N 2.79Å; G144-N147 PolarHBondContact O-N 3.41Å
145	S	56.5	Low	58.8	Low	95 Å²	95	80.6 Å²	80.6	66%	0.664	52%	0.523	S	S	*	.	H	α-helix	trans	-64.3	-23.7	177.7	-60.8	0	0	0	0	113.4	D141 N147	D141-S145 VanDerWaalsContact O-CB 3.28Å; D141-S145 WeakPolarHBondContact O-CB 3.29Å; D141-S145 PolarHBondContact O-N 3.4Å; D141-S145 PolarHBondContact O-OG 3Å; S145-N147 PolarHBondContact O-N 3.29Å
146	G	44.1	Very low	55.6	Low	64 Å²	64	84 Å²	84	66%	0.66	55%	0.554	S	S	*	*	H	α-helix	trans	-69.7	-26.2	179.2	0	0	0	0	0	114.8	L143 G144	L143-G146 PolarHBondContact O-N 2.94Å; G144-G146 PolarHBondContact O-N 2.79Å
147	N	38.9	Very low	52.4	Low	153 Å²	153	90.5 Å²	90.5	82%	0.818	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	4.3	-173.9	-72	-19.5	0	0	0	114.1	G144 S145	G144-N147 PolarHBondContact O-N 3.41Å; S145-N147 PolarHBondContact O-N 3.29Å
148	G	35.3	Very low	49.1	Very low	55 Å²	55	92.4 Å²	92.4	57%	0.567	61%	0.614	S	S	*	*			trans	-99.3	79.1	-171.3	0	0	0	0	0	115.2	G150	G148-G150 PolarHBondContact O-N 3.4Å
149	S	34.9	Very low	46	Very low	129 Å²	129	97.9 Å²	97.9	90%	0.902	65%	0.647	S	S	*	*			trans	-76.8	82.6	174.2	65.2	0	0	0	0	112.5
150	G	29.5	Very low	42.8	Very low	64 Å²	64	100.5 Å²	100.5	66%	0.66	68%	0.677	S	S	*	*			trans	92.2	153.2	-177.4	0	0	0	0	0	112.8	G148	G148-G150 PolarHBondContact O-N 3.4Å
151	I	26.2	Very low	39.9	Very low	165 Å²	165	105.8 Å²	105.8	85%	0.846	70%	0.701	S	S	*	*			cis	-122.2	139.5	13.2	-68.3	169.2	0	0	0	110.7
152	V	29.4	Very low	37	Very low	132 Å²	132	110 Å²	110	80%	0.8	72%	0.722	S	S	*	*			trans	-93.4	110.9	167.8	175.5	0	0	0	0	109.6	A154	V152-A154 HydrophobicContact CG1-CB 3.96Å
153	S	25.6	Very low	34.3	Very low	118 Å²	118	110.4 Å²	110.4	83%	0.825	74%	0.735	S	S	*	*			trans	-99.5	78.1	164.9	60.4	0	0	0	0	109.9
154	A	27.2	Very low	31.8	Very low	85 Å²	85	116.7 Å²	116.7	70%	0.702	76%	0.761	S	S	*	*			trans	-79.7	123.1	175	0	0	0	0	0	110.8	V152	V152-A154 HydrophobicContact CG1-CB 3.96Å
155	Q	25.3	Very low	30	Very low	202 Å²	202	119.1 Å²	119.1	94%	0.944	76%	0.762	S	S	*	*			trans	-124.5	143.7	149.5	-82.4	-167.4	-24.7	0	0	108.5
156	A	27.6	Very low	28.6	Very low	88 Å²	88	123.6 Å²	123.6	73%	0.727	76%	0.764	S	S	*	*			trans	-130.6	147.9	-163.5	0	0	0	0	0	112.2
157	N	27.3	Very low	27.8	Very low	168 Å²	168	126.4 Å²	126.4	90%	0.898	77%	0.773	S	S	*	*			trans	-154.6	128.2	141.5	-82.5	-41.1	0	0	0	103.5
158	G	24	Very low	27.1	Very low	63 Å²	63	126 Å²	126	65%	0.649	77%	0.77	S	S	*	*			cis	101.7	108.2	38.5	0	0	0	0	0	106.1
159	N	27.5	Very low	26.7	Very low	167 Å²	167	129.8 Å²	129.8	89%	0.893	78%	0.782	S	S	*	*			cis	-122.6	166.6	24.1	-55	-54.2	0	0	0	110.8
160	G	23.7	Very low	26.2	Very low	67 Å²	67	131.1 Å²	131.1	69%	0.691	78%	0.778	S	S	*	*				78	115.6	50.4	0	0	0	0	0	109.3
161	L	25.8	Very low	26.1	Very low	160 Å²	160	136.6 Å²	136.6	84%	0.838	79%	0.786	S	S	*	*			cis	-147	131.5	41.2	-78.6	152.9	0	0	0	115.3
162	I	24.4	Very low	26.3	Very low	142 Å²	142	136.6 Å²	136.6	73%	0.728	79%	0.788	S	S	*	*			trans	31.7	113.9	135.9	-50.1	175.3	0	0	0	119
163	A	24.9	Very low	26.1	Very low	106 Å²	106	133.9 Å²	133.9	88%	0.876	79%	0.786	S	S	*	*			trans	-130.6	107.8	139.7	0	0	0	0	0	109.9
164	K	25.8	Very low	26.2	Very low	178 Å²	178	136.8 Å²	136.8	77%	0.774	79%	0.792	S	S	*	*			trans	-92.6	160.6	160.6	-75	-174.6	178	-179.2	0	107.5
165	D	26.3	Very low	26.1	Very low	101 Å²	101	137.6 Å²	137.6	54%	0.54	80%	0.798	S	S	.	*			cis	-158.5	168.3	16.1	-136.9	-1.3	0	0	0	110.6
166	R	27.8	Very low	26.1	Very low	189 Å²	189	137.6 Å²	137.6	71%	0.713	80%	0.796	S	S	*	*			trans	63.1	116.8	147.6	-71	166.5	-143.8	-110.2	-14.3	122.1	L168	R166-L168 HydrophobicContact CB-CG 4.48Å
167	C	25.8	Very low	26.9	Very low	123 Å²	123	138.3 Å²	138.3	83%	0.831	79%	0.793	S	S	*	*			trans	-55.2	144.2	133.8	174.6	0	0	0	0	111.1
168	L	24.9	Very low	26.8	Very low	144 Å²	144	137 Å²	137	75%	0.754	79%	0.791	S	S	*	*			trans	-130.8	121.1	172.8	-75.1	174.9	0	0	0	111.6	R166	R166-L168 HydrophobicContact CB-CG 4.48Å
169	T	27	Very low	27	Very low	135 Å²	135	138 Å²	138	83%	0.828	79%	0.793	S	S	*	*			trans	-86.2	145	160.8	29.3	0	0	0	0	110.5
170	L	24.5	Very low	26.9	Very low	157 Å²	157	137.3 Å²	137.3	82%	0.822	79%	0.789	S	S	*	*			trans	-79.1	134.1	170.9	-79.5	85.4	0	0	0	110.9
171	H	27.3	Very low	27.3	Very low	178 Å²	178	140.3 Å²	140.3	82%	0.824	79%	0.794	S	S	*	*				-172.5	172.8	105.4	-113.2	10.1	0	0	0	113.7
172	N	29.3	Very low	27.3	Very low	165 Å²	165	139.6 Å²	139.6	88%	0.882	80%	0.796	S	S	*	*			trans	-78.8	161.5	-175.6	-69.8	-31.9	0	0	0	113.6
173	G	25.5	Very low	27.8	Very low	75 Å²	75	137.8 Å²	137.8	77%	0.773	80%	0.803	S	S	*	*			trans	125.3	64.7	143	0	0	0	0	0	119.9
174	L	27.2	Very low	28	Very low	179 Å²	179	138 Å²	138	94%	0.937	80%	0.797	S	S	*	*			trans	36.9	99.9	139.3	-170.8	75.4	0	0	0	120
175	A	25.5	Very low	28.3	Very low	102 Å²	102	136.7 Å²	136.7	84%	0.843	80%	0.799	S	S	*	*			trans	-164.2	153.1	144.4	0	0	0	0	0	113.6
176	K	26.7	Very low	28.8	Very low	203 Å²	203	137.7 Å²	137.7	88%	0.883	81%	0.811	S	S	*	*			trans	-166.7	165	169.3	-115.2	-175	-179.4	179.6	0	108.3
177	P	44	Very low	29.1	Very low	103 Å²	103	136.1 Å²	136.1	67%	0.669	82%	0.816	S	S	*	*			cis	-131.4	174.4	-12.4	38.6	-22.6	0	0	0	114
178	T	25.1	Very low	29.7	Very low	139 Å²	139	134.7 Å²	134.7	85%	0.853	81%	0.805	S	S	*	*				169	154.6	122.7	33.5	0	0	0	0	115.2
179	A	27.8	Very low	30.5	Very low	84 Å²	84	132.7 Å²	132.7	69%	0.694	80%	0.795	S	S	*	*			trans	59.4	105.6	149.7	0	0	0	0	0	123.6
180	N	26.6	Very low	31	Very low	154 Å²	154	130.5 Å²	130.5	82%	0.824	78%	0.783	S	S	*	*				59.8	113.3	123.7	-62.9	3.5	0	0	0	124.8
181	V	30.5	Very low	31.7	Very low	130 Å²	130	125.4 Å²	125.4	79%	0.788	76%	0.764	S	S	*	*				53.5	107.4	124.8	-171	0	0	0	0	119.8
182	T	27.2	Very low	32.3	Very low	144 Å²	144	120.7 Å²	120.7	88%	0.883	75%	0.751	S	S	*	*				-159.9	157.5	112.3	6.4	0	0	0	0	109.9
183	A	34.5	Very low	32.9	Very low	105 Å²	105	118.5 Å²	118.5	87%	0.868	74%	0.736	S	S	*	*			trans	-103.7	128.9	-179.9	0	0	0	0	0	111
184	S	29.3	Very low	34	Very low	109 Å²	109	119.4 Å²	119.4	76%	0.762	73%	0.726	S	S	*	*			trans	-137.4	135.1	171	56.3	0	0	0	0	109
185	N	31	Very low	35	Very low	151 Å²	151	115.7 Å²	115.7	81%	0.807	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-59.6	137.5	178.5	-64.4	-19.9	0	0	0	110.4
186	P	36.5	Very low	36.2	Very low	123 Å²	123	113.2 Å²	113.2	80%	0.799	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-66.1	136.2	168.9	28.8	-32.8	0	0	0	109.6
187	L	34.3	Very low	37.4	Very low	156 Å²	156	106 Å²	106	82%	0.817	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-68.8	155.3	162.9	-77.6	96.2	0	0	0	109.6
188	P	39.9	Very low	37.8	Very low	92 Å²	92	103.5 Å²	103.5	60%	0.597	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-57.9	143.1	167.5	26.5	-34.6	0	0	0	110.5	P190	P188-P190 WeakPolarHBondContact O-CD 3.34Å
189	D	40.5	Very low	39.2	Very low	103 Å²	103	101.8 Å²	101.8	55%	0.551	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-76.2	117.8	178.8	-175.3	-16.2	0	0	0	109.8	A191 S192 E193	D189-A191 PolarHBondContact O-N 2.83Å; D189-A191 VanDerWaalsContact O-N 3.12Å; D189-A191 VanDerWaalsContact OD1-CB 3.28Å; D189-A191 WeakPolarHBondContact OD1-CB 3.34Å; D189-A191 PolarHBondContact OD1-N 3.32Å; D189-S192 VanDerWaalsContact O-CB 3.32Å; D189-S192 WeakPolarHBondContact O-CB 3.47Å; D189-S192 PolarHBondContact O-N 3.21Å; D189-E193 PolarHBondContact O-N 3.27Å
190	P	38.1	Very low	40.6	Very low	88 Å²	88	100.7 Å²	100.7	57%	0.571	62%	0.619	S	S	*	*	H	α-helix	trans	-62.6	-18.7	-179.5	26.4	-35.3	0	0	0	113.3	P188 S192 T194	P188-P190 WeakPolarHBondContact O-CD 3.34Å; P190-S192 VanDerWaalsContact C-N 3.33Å; P190-T194 VanDerWaalsContact O-CB 3.3Å; P190-T194 WeakPolarHBondContact O-CB 3.47Å; P190-T194 PolarHBondContact O-N 2.81Å; P190-T194 PolarHBondContact O-OG1 3Å
191	A	39.1	Very low	42.1	Very low	50 Å²	50	98.5 Å²	98.5	41%	0.413	61%	0.608	S	S	.	*	H	α-helix	trans	-65.3	-37.1	171	0	0	0	0	0	111.8	D189 T194 I195	D189-A191 PolarHBondContact O-N 2.83Å; D189-A191 VanDerWaalsContact O-N 3.12Å; D189-A191 VanDerWaalsContact OD1-CB 3.28Å; D189-A191 WeakPolarHBondContact OD1-CB 3.34Å; D189-A191 PolarHBondContact OD1-N 3.32Å; A191-T194 PolarHBondContact O-N 3.45Å; A191-I195 WeakPolarHBondContact O-CD1 3.34Å; A191-I195 VanDerWaalsContact O-CG1 3.28Å; A191-I195 WeakPolarHBondContact O-CG1 3.33Å; A191-I195 PolarHBondContact O-N 3.08Å
192	S	40.8	Very low	43.5	Very low	79 Å²	79	97.1 Å²	97.1	55%	0.552	59%	0.588	S	S	*	*	H	α-helix	trans	-67.8	-47.1	178.3	-170.2	0	0	0	0	111.5	D189 P190 T194 I195 S196	D189-S192 VanDerWaalsContact O-CB 3.32Å; D189-S192 WeakPolarHBondContact O-CB 3.47Å; D189-S192 PolarHBondContact O-N 3.21Å; P190-S192 VanDerWaalsContact C-N 3.33Å; S192-T194 VanDerWaalsContact C-N 3.33Å; S192-T194 PolarHBondContact O-N 3.19Å; S192-I195 PolarHBondContact O-N 3.09Å; S192-S196 WeakPolarHBondContact O-CB 3.3Å; S192-S196 PolarHBondContact O-N 3.46Å
193	E	41.1	Very low	45.5	Very low	120 Å²	120	91.6 Å²	91.6	56%	0.561	55%	0.553	S	S	*	*	H	α-helix	trans	-61.4	-41.1	175.3	-66.8	-176.2	174.7	0	0	111.6	D189 S196 A197	D189-E193 PolarHBondContact O-N 3.27Å; E193-S196 PolarHBondContact O-N 2.67Å; E193-A197 WeakPolarHBondContact O-CB 3.31Å; E193-A197 PolarHBondContact O-N 3.35Å
194	T	48.7	Very low	47.2	Very low	93 Å²	93	89.9 Å²	89.9	57%	0.571	53%	0.527	S	S	*	.	H	α-helix	trans	-63.2	-42.7	177.3	-58.3	0	0	0	0	112	P190 A191 S192 A198	P190-T194 VanDerWaalsContact O-CB 3.3Å; P190-T194 WeakPolarHBondContact O-CB 3.47Å; P190-T194 PolarHBondContact O-N 2.81Å; P190-T194 PolarHBondContact O-OG1 3Å; A191-T194 PolarHBondContact O-N 3.45Å; S192-T194 VanDerWaalsContact C-N 3.33Å; S192-T194 PolarHBondContact O-N 3.19Å; T194-A198 VanDerWaalsContact O-CB 3.29Å; T194-A198 WeakPolarHBondContact O-CB 3.32Å; T194-A198 PolarHBondContact O-N 2.88Å
195	I	48.1	Very low	49.3	Very low	102 Å²	102	91 Å²	91	52%	0.523	52%	0.515	S	S	.	.	H	α-helix	trans	-68.7	-41.7	177.3	-69.3	164.5	0	0	0	111	A191 S192 A198 M199	A191-I195 WeakPolarHBondContact O-CD1 3.34Å; A191-I195 VanDerWaalsContact O-CG1 3.28Å; A191-I195 WeakPolarHBondContact O-CG1 3.33Å; A191-I195 PolarHBondContact O-N 3.08Å; S192-I195 PolarHBondContact O-N 3.09Å; I195-A198 PolarHBondContact O-N 2.73Å; I195-M199 HydrophobicContact CG2-CE 4.23Å; I195-M199 HydrophobicContact CG2-SD 4.4Å; I195-M199 WeakPolarHBondContact O-CG 3.49Å; I195-M199 PolarHBondContact O-N 3.34Å
196	S	51.5	Low	50.8	Low	50 Å²	50	84.5 Å²	84.5	35%	0.35	48%	0.481	S	S	.	.	H	α-helix	trans	-59.5	-48.8	175.5	-177.3	0	0	0	0	111.6	L143 S192 E193 A198 M199 S200	L143-S196 WeakPolarHBondContact CD2-OG 3.5Å; S192-S196 WeakPolarHBondContact O-CB 3.3Å; S192-S196 PolarHBondContact O-N 3.46Å; E193-S196 PolarHBondContact O-N 2.67Å; S196-A198 PolarHBondContact O-N 3.37Å; S196-M199 PolarHBondContact O-N 3.4Å; S196-S200 WeakPolarHBondContact O-CB 3.21Å; S196-S200 PolarHBondContact O-N 2.9Å
197	A	50	Low	52.2	Low	51 Å²	51	82.9 Å²	82.9	42%	0.421	47%	0.469	S	S	.	.	H	α-helix	trans	-63.4	-38.9	175.9	0	0	0	0	0	112.4	E193 N201	E193-A197 WeakPolarHBondContact O-CB 3.31Å; E193-A197 PolarHBondContact O-N 3.35Å; A197-N201 PolarHBondContact O-N 3.4Å; A197-N201 VanDerWaalsContact O-N 3.08Å; A197-N201 PolarHBondContact O-ND2 3.37Å
198	A	52.9	Low	54.3	Low	50 Å²	50	80.7 Å²	80.7	41%	0.413	45%	0.45	S	S	.	.	H	α-helix	trans	-65	-45	175.5	0	0	0	0	0	112	T194 I195 S196 N201 R202	T194-A198 VanDerWaalsContact O-CB 3.29Å; T194-A198 WeakPolarHBondContact O-CB 3.32Å; T194-A198 PolarHBondContact O-N 2.88Å; I195-A198 PolarHBondContact O-N 2.73Å; S196-A198 PolarHBondContact O-N 3.37Å; A198-N201 PolarHBondContact O-N 3.09Å; A198-R202 VanDerWaalsContact O-CG 3.26Å; A198-R202 WeakPolarHBondContact O-CG 3.31Å; A198-R202 PolarHBondContact O-N 2.74Å
199	M	54.5	Low	56.6	Low	103 Å²	103	77.6 Å²	77.6	51%	0.507	43%	0.427	S	S	.	.	H	α-helix	trans	-64.5	-44	176.1	-74.1	-171.7	172	0	0	112.1	I195 S196 N201 R202 L203	I195-M199 HydrophobicContact CG2-CE 4.23Å; I195-M199 HydrophobicContact CG2-SD 4.4Å; I195-M199 WeakPolarHBondContact O-CG 3.49Å; I195-M199 PolarHBondContact O-N 3.34Å; S196-M199 PolarHBondContact O-N 3.4Å; M199-N201 VanDerWaalsContact C-N 3.29Å; M199-N201 PolarHBondContact O-N 3.27Å; M199-R202 PolarHBondContact O-N 3.45Å; M199-R202 VanDerWaalsContact O-N 3.09Å; M199-L203 WeakPolarHBondContact O-CB 3.25Å; M199-L203 PolarHBondContact O-N 3.42Å
200	S	56.9	Low	58.8	Low	61 Å²	61	76.1 Å²	76.1	43%	0.427	42%	0.416	S	S	.	.	H	α-helix	trans	-63.5	-32.5	179.2	-172	0	0	0	0	112.8	S196	S196-S200 WeakPolarHBondContact O-CB 3.21Å; S196-S200 PolarHBondContact O-N 2.9Å
201	N	57.8	Low	61.4	Low	108 Å²	108	74.5 Å²	74.5	58%	0.578	41%	0.407	S	S	*	.	H	α-helix	trans	-71.9	-33.9	172	-81.4	-70.3	0	0	0	113.5	A197 A198 M199 Q204	A197-N201 PolarHBondContact O-N 3.4Å; A197-N201 VanDerWaalsContact O-N 3.08Å; A197-N201 PolarHBondContact O-ND2 3.37Å; A198-N201 PolarHBondContact O-N 3.09Å; M199-N201 VanDerWaalsContact C-N 3.29Å; M199-N201 PolarHBondContact O-N 3.27Å; N201-Q204 PolarHBondContact O-NE2 2.83Å
202	R	60.3	Low	63.9	Low	101 Å²	101	73 Å²	73	38%	0.381	39%	0.392	S	S	.	.	H	α-helix	trans	-78.4	-19.1	178.7	-66.8	171.9	77.4	179.6	16.5	114	A198 M199 E600	A198-R202 VanDerWaalsContact O-CG 3.26Å; A198-R202 WeakPolarHBondContact O-CG 3.31Å; A198-R202 PolarHBondContact O-N 2.74Å; M199-R202 PolarHBondContact O-N 3.45Å; M199-R202 VanDerWaalsContact O-N 3.09Å; R202-E600 IonicContact CZ-OE1 3.37Å; R202-E600 IonicContact CZ-OE2 2.69Å; R202-E600 VanDerWaalsContact NE-CD 3.3Å; R202-E600 IonicContact NE-OE1 3.41Å; R202-E600 PolarHBondContact NE-OE1 3.42Å; R202-E600 IonicContact NE-OE2 3.58Å; R202-E600 PolarHBondContact NE-OE2 3.02Å; R202-E600 IonicContact NH2-OE1 2.75Å; R202-E600 PolarHBondContact NH2-OE1 3.25Å; R202-E600 IonicContact NH2-OE2 3.2Å; R202-E600 PolarHBondContact NH2-OE2 2.85Å
203	L	69.4	Low	66.4	Low	29 Å²	29	70.8 Å²	70.8	15%	0.152	37%	0.373	C	S	.	.	S	Bend	trans	-120.7	83.8	-174.4	-65.1	177.7	0	0	0	110.6	F135 T139 M199 F571 F592	F135-L203 HydrophobicContact CE1-CD2 4.12Å; F135-L203 HydrophobicContact CZ-CD1 3.96Å; F135-L203 HydrophobicContact CZ-CD2 4.12Å; T139-L203 HydrophobicContact CG2-CD1 4.08Å; M199-L203 WeakPolarHBondContact O-CB 3.25Å; M199-L203 PolarHBondContact O-N 3.42Å; L203-F571 HydrophobicContact CD2-CE1 4.13Å; L203-F592 HydrophobicContact CB-CD1 3.74Å; L203-F592 HydrophobicContact CB-CD2 4.14Å; L203-F592 HydrophobicContact CB-CE1 3.74Å; L203-F592 HydrophobicContact CB-CE2 4.13Å; L203-F592 HydrophobicContact CB-CG 3.95Å; L203-F592 HydrophobicContact CB-CZ 3.94Å; L203-F592 HydrophobicContact CD1-CD2 4.29Å; L203-F592 HydrophobicContact CD1-CE2 4.01Å; L203-F592 HydrophobicContact CD1-CZ 4.39Å; L203-F592 HydrophobicContact CD2-CB 4.33Å; L203-F592 HydrophobicContact CD2-CD2 4.07Å; L203-F592 HydrophobicContact CD2-CG 4.17Å; L203-F592 HydrophobicContact CG-CD2 4.41Å; L203-F592 HydrophobicContact CG-CE2 4.48Å; L203-F592 WeakPolarHBondContact O-CD1 3.24Å; L203-F592 VanDerWaalsContact O-CE1 3.29Å; L203-F592 WeakPolarHBondContact O-CE1 3.33Å
204	Q	70.2	Confident	69	Low	69 Å²	69	70.6 Å²	70.6	32%	0.322	37%	0.37	S	S	.	.			trans	-108.2	146.3	-179.6	-51.3	-176	6	0	0	112.1	N201 S593 P596	N201-Q204 PolarHBondContact O-NE2 2.83Å; Q204-S593 PolarHBondContact O-N 3.11Å; Q204-S593 VanDerWaalsContact O-N 3.08Å; Q204-P596 HydrophobicContact CB-CG 3.77Å; Q204-P596 HydrophobicContact CG-CB 4.26Å; Q204-P596 HydrophobicContact CG-CG 4Å
205	R	72.6	Confident	71.2	Confident	131 Å²	131	71.4 Å²	71.4	49%	0.494	37%	0.371	S	S	.	.			trans	-71.6	145.3	159.9	-68	163.9	66.6	175.7	-6.2	108.7	Y136 F588 D589	Y136-R205 HydrophobicContact CE2-CG 4.06Å; Y136-R205 WeakPolarHBondContact OH-CD 3.22Å; R205-F588 WeakPolarHBondContact CG-O 3.42Å; R205-F588 PolarHBondContact NE-O 2.81Å; R205-D589 IonicContact CZ-OD1 2.72Å; R205-D589 IonicContact NE-OD1 3.79Å; R205-D589 VanDerWaalsContact NH2-CG 3.34Å; R205-D589 IonicContact NH2-OD1 3.46Å; R205-D589 PolarHBondContact NH2-OD1 2.91Å
206	S	63.5	Low	73.5	Confident	15 Å²	15	66.9 Å²	66.9	11%	0.105	35%	0.347	C	S	.	.			trans	-148.2	98.5	-179.2	-179.3	0	0	0	0	112.3	F588	S206-F588 WeakPolarHBondContact O-CD1 3.39Å
207	V	66.3	Low	75.6	Confident	90 Å²	90	65 Å²	65	55%	0.545	33%	0.334	S	S	.	.			trans	-106.5	103.2	151.4	-175.3	0	0	0	0	107	F588	V207-F588 HydrophobicContact CG2-CB 3.36Å; V207-F588 HydrophobicContact CG2-CD1 3.79Å; V207-F588 HydrophobicContact CG2-CD2 3.68Å; V207-F588 HydrophobicContact CG2-CE1 4.42Å; V207-F588 HydrophobicContact CG2-CE2 4.34Å; V207-F588 HydrophobicContact CG2-CG 3.36Å
208	R	78.8	Confident	77.7	Confident	109 Å²	109	66.2 Å²	66.2	41%	0.411	34%	0.344	S	S	.	.			trans	-112.4	3	175.5	-66.5	-173.5	-175.1	-155.4	1	113.5	E210 S211 D212	R208-E210 VanDerWaalsContact C-N 3.31Å; R208-E210 PolarHBondContact O-N 2.57Å; R208-E210 VanDerWaalsContact O-N 3.11Å; R208-S211 PolarHBondContact O-N 2.95Å; R208-S211 PolarHBondContact O-OG 2.61Å; R208-D212 VanDerWaalsContact CB-OD2 3.31Å; R208-D212 WeakPolarHBondContact CB-OD2 3.31Å; R208-D212 WeakPolarHBondContact O-CB 3.48Å; R208-D212 PolarHBondContact O-N 3.18Å
209	Y	86.9	Confident	79.8	Confident	28 Å²	28	66.7 Å²	66.7	11%	0.11	34%	0.335	C	S	.	.	H	α-helix	trans	-44.1	-49.4	-175.7	171.3	-93.5	0	0	0	114.3	D212 F213 P244 P245 K246 L579	Y209-D212 PolarHBondContact O-N 3.07Å; Y209-F213 HydrophobicContact CE2-CB 4.48Å; Y209-F213 WeakPolarHBondContact O-CB 3.3Å; Y209-F213 PolarHBondContact O-N 3.01Å; Y209-P244 HydrophobicContact CE2-CB 3.71Å; Y209-P245 HydrophobicContact CD1-CG 4.21Å; Y209-P245 HydrophobicContact CE1-CG 3.49Å; Y209-P245 VanDerWaalsContact CE1-CG 3.49Å; Y209-K246 WeakPolarHBondContact OH-CB 3.36Å; Y209-K246 PolarHBondContact OH-N 3.39Å; Y209-K246 VanDerWaalsContact OH-N 3.16Å; Y209-L579 HydrophobicContact CD2-CD2 4.1Å; Y209-L579 HydrophobicContact CE2-CD2 4.42Å; Y209-L579 HydrophobicContact CG-CD2 4.36Å
210	E	87.9	Confident	81.8	Confident	71 Å²	71	62 Å²	62	33%	0.332	31%	0.311	S	S	.	.	H	α-helix	trans	-68.6	-37.9	-175.2	177.8	60.4	-166.8	0	0	112.8	R208 K214 K246	R208-E210 VanDerWaalsContact C-N 3.31Å; R208-E210 PolarHBondContact O-N 2.57Å; R208-E210 VanDerWaalsContact O-N 3.11Å; E210-K214 WeakPolarHBondContact O-CD 3.2Å; E210-K214 WeakPolarHBondContact O-CG 3.4Å; E210-K214 PolarHBondContact O-N 3.41Å; E210-K214 WeakPolarHBondContact OE1-CE 3.22Å; E210-K214 IonicContact OE1-NZ 2.81Å; E210-K214 PolarHBondContact OE1-NZ 2.81Å; E210-K246 IonicContact OE1-NZ 2.66Å; E210-K246 PolarHBondContact OE1-NZ 3.48Å; E210-K246 WeakPolarHBondContact OE2-CE 3.39Å; E210-K246 IonicContact OE2-NZ 3.6Å; E210-K246 PolarHBondContact OE2-NZ 3.47Å
211	S	91.3	Very high	83.6	Confident	54 Å²	54	60.2 Å²	60.2	38%	0.378	30%	0.303	S	S	.	.	H	α-helix	trans	-75.1	-43.5	173.9	43.6	0	0	0	0	111.7	R208 F213 K214 N215	R208-S211 PolarHBondContact O-N 2.95Å; R208-S211 PolarHBondContact O-OG 2.61Å; S211-F213 PolarHBondContact O-N 3.16Å; S211-K214 PolarHBondContact O-N 3.15Å; S211-N215 VanDerWaalsContact O-CB 3.25Å; S211-N215 WeakPolarHBondContact O-CB 3.32Å; S211-N215 PolarHBondContact O-N 2.76Å; S211-N215 PolarHBondContact O-ND2 2.89Å; S211-N215 PolarHBondContact O-OD1 3.34Å
212	D	92.7	Very high	85.3	Confident	19 Å²	19	55.9 Å²	55.9	10%	0.102	28%	0.279	C	S	.	.	H	α-helix	trans	-59.8	-50	179.6	-69.4	-15.2	0	0	0	109.7	R208 Y209 K214 N215 E216 R500	R208-D212 VanDerWaalsContact CB-OD2 3.31Å; R208-D212 WeakPolarHBondContact CB-OD2 3.31Å; R208-D212 WeakPolarHBondContact O-CB 3.48Å; R208-D212 PolarHBondContact O-N 3.18Å; Y209-D212 PolarHBondContact O-N 3.07Å; D212-K214 PolarHBondContact O-N 3.14Å; D212-N215 PolarHBondContact O-N 2.87Å; D212-E216 WeakPolarHBondContact O-CB 3.41Å; D212-E216 PolarHBondContact O-N 3.49Å; D212-R500 IonicContact OD1-CZ 2.78Å; D212-R500 IonicContact OD1-NH1 3.52Å; D212-R500 IonicContact OD1-NH2 3.62Å; D212-R500 PolarHBondContact OD1-NH2 2.75Å; D212-R500 IonicContact OD2-CZ 2.73Å; D212-R500 IonicContact OD2-NH1 2.78Å; D212-R500 PolarHBondContact OD2-NH1 3.27Å; D212-R500 IonicContact OD2-NH2 3.63Å; D212-R500 PolarHBondContact OD2-NH2 2.72Å
213	F	93.9	Very high	86.8	Confident	32 Å²	32	52.3 Å²	52.3	14%	0.14	27%	0.268	C	S	.	.	H	α-helix	trans	-58	-45.4	177.5	-177.5	-88.5	0	0	0	112.4	Y209 S211 V217 I230 K246	Y209-F213 HydrophobicContact CE2-CB 4.48Å; Y209-F213 WeakPolarHBondContact O-CB 3.3Å; Y209-F213 PolarHBondContact O-N 3.01Å; S211-F213 PolarHBondContact O-N 3.16Å; F213-V217 HydrophobicContact CD1-CG2 4.35Å; F213-V217 HydrophobicContact CE1-CG2 4.02Å; F213-V217 HydrophobicContact CE2-CG2 4.46Å; F213-V217 HydrophobicContact CZ-CG2 4.08Å; F213-V217 WeakPolarHBondContact O-CB 3.31Å; F213-V217 VanDerWaalsContact O-CG2 3.28Å; F213-V217 WeakPolarHBondContact O-CG2 3.21Å; F213-V217 PolarHBondContact O-N 3.02Å; F213-I230 HydrophobicContact CE1-CD1 3.96Å; F213-I230 HydrophobicContact CE1-CG1 3.99Å; F213-I230 HydrophobicContact CE1-CG2 3.78Å; F213-I230 HydrophobicContact CZ-CG1 4.35Å; F213-I230 HydrophobicContact CZ-CG2 4.05Å; F213-K246 HydrophobicContact CD1-CB 4.36Å; F213-K246 HydrophobicContact CD1-CD 4.16Å; F213-K246 HydrophobicContact CD2-CB 4.45Å; F213-K246 HydrophobicContact CE1-CB 3.85Å; F213-K246 HydrophobicContact CE1-CD 4.1Å; F213-K246 HydrophobicContact CE2-CB 3.95Å; F213-K246 HydrophobicContact CZ-CB 3.63Å
214	K	94.1	Very high	87.8	Confident	117 Å²	117	54.8 Å²	54.8	51%	0.509	28%	0.281	S	S	.	.	H	α-helix	trans	-65.3	-50.1	178.4	-82.7	169.7	165.5	156.2	0	112.4	E210 S211 D212 E216 A218	E210-K214 WeakPolarHBondContact O-CD 3.2Å; E210-K214 WeakPolarHBondContact O-CG 3.4Å; E210-K214 PolarHBondContact O-N 3.41Å; E210-K214 WeakPolarHBondContact OE1-CE 3.22Å; E210-K214 IonicContact OE1-NZ 2.81Å; E210-K214 PolarHBondContact OE1-NZ 2.81Å; S211-K214 PolarHBondContact O-N 3.15Å; D212-K214 PolarHBondContact O-N 3.14Å; K214-E216 PolarHBondContact O-N 3.41Å; K214-A218 WeakPolarHBondContact O-CB 3.19Å; K214-A218 PolarHBondContact O-N 2.83Å; K214-A218 VanDerWaalsContact O-N 3.11Å
215	N	95.4	Very high	88.6	Confident	109 Å²	109	61.1 Å²	61.1	58%	0.583	31%	0.307	S	S	*	.	H	α-helix	trans	-59.7	-40.5	179.7	-68.7	-12.1	0	0	0	110.8	S211 D212 A218 R219	S211-N215 VanDerWaalsContact O-CB 3.25Å; S211-N215 WeakPolarHBondContact O-CB 3.32Å; S211-N215 PolarHBondContact O-N 2.76Å; S211-N215 PolarHBondContact O-ND2 2.89Å; S211-N215 PolarHBondContact O-OD1 3.34Å; D212-N215 PolarHBondContact O-N 2.87Å; N215-A218 PolarHBondContact O-N 3.43Å; N215-R219 VanDerWaalsContact O-CB 3.29Å; N215-R219 WeakPolarHBondContact O-CB 3.46Å; N215-R219 PolarHBondContact O-N 3.4Å
216	E	95.9	Very high	89.3	Confident	7 Å²	7	56.7 Å²	56.7	3%	0.033	30%	0.303	C	S	.	.	H	α-helix	trans	-76.1	-40.2	-175.2	-178.9	57.9	-167.1	0	0	112.9	D212 K214 A218 R219 L220 Y493 V501 R505	D212-E216 WeakPolarHBondContact O-CB 3.41Å; D212-E216 PolarHBondContact O-N 3.49Å; K214-E216 PolarHBondContact O-N 3.41Å; E216-A218 VanDerWaalsContact C-N 3.28Å; E216-A218 PolarHBondContact O-N 2.86Å; E216-R219 PolarHBondContact O-N 2.9Å; E216-R219 IonicContact OE1-CZ 2.72Å; E216-R219 IonicContact OE1-NE 2.57Å; E216-R219 IonicContact OE1-NH2 3.7Å; E216-R219 PolarHBondContact OE1-NH2 3.13Å; E216-R219 IonicContact OE2-CZ 3.14Å; E216-R219 IonicContact OE2-NE 3.13Å; E216-R219 PolarHBondContact OE2-NE 2.91Å; E216-R219 IonicContact OE2-NH2 3.22Å; E216-R219 PolarHBondContact OE2-NH2 3.31Å; E216-L220 HydrophobicContact CG-CD1 4.2Å; E216-L220 WeakPolarHBondContact O-CB 3.38Å; E216-L220 VanDerWaalsContact O-CG 3.28Å; E216-L220 WeakPolarHBondContact O-CG 3.38Å; E216-L220 PolarHBondContact O-N 3.48Å; E216-L220 WeakPolarHBondContact OE1-CD1 3.48Å; E216-Y493 PolarHBondContact OE1-OH 2.67Å; E216-V501 HydrophobicContact CG-CG1 4.47Å; E216-R505 VanDerWaalsContact CD-NH1 3.33Å; E216-R505 IonicContact OE1-CZ 3.81Å; E216-R505 IonicContact OE1-NH1 3.07Å; E216-R505 PolarHBondContact OE1-NH1 2.83Å; E216-R505 IonicContact OE1-NH2 2.91Å
217	V	95.4	Very high	90.7	Very high	12 Å²	12	56.3 Å²	56.3	7%	0.073	30%	0.3	C	S	.	.	H	α-helix	trans	-61.4	-39.3	170.4	170.6	0	0	0	0	110.8	F213 G221 F222 L224 L248	F213-V217 HydrophobicContact CD1-CG2 4.35Å; F213-V217 HydrophobicContact CE1-CG2 4.02Å; F213-V217 HydrophobicContact CE2-CG2 4.46Å; F213-V217 HydrophobicContact CZ-CG2 4.08Å; F213-V217 WeakPolarHBondContact O-CB 3.31Å; F213-V217 VanDerWaalsContact O-CG2 3.28Å; F213-V217 WeakPolarHBondContact O-CG2 3.21Å; F213-V217 PolarHBondContact O-N 3.02Å; V217-G221 PolarHBondContact O-N 2.87Å; V217-F222 HydrophobicContact CG1-CB 4.21Å; V217-F222 HydrophobicContact CG1-CD2 4.17Å; V217-F222 PolarHBondContact O-N 2.96Å; V217-L224 HydrophobicContact CG1-CD1 3.95Å; V217-L224 HydrophobicContact CG1-CD2 4.14Å; V217-L224 HydrophobicContact CG1-CG 4.3Å; V217-L248 HydrophobicContact CG1-CD1 4.36Å
218	A	95.6	Very high	92.1	Very high	75 Å²	75	52.1 Å²	52.1	62%	0.62	27%	0.274	S	S	*	.	H	α-helix	trans	-67.7	-43.8	174.8	0	0	0	0	0	112.6	K214 N215 E216 L220 G221	K214-A218 WeakPolarHBondContact O-CB 3.19Å; K214-A218 PolarHBondContact O-N 2.83Å; K214-A218 VanDerWaalsContact O-N 3.11Å; N215-A218 PolarHBondContact O-N 3.43Å; E216-A218 VanDerWaalsContact C-N 3.28Å; E216-A218 PolarHBondContact O-N 2.86Å; A218-L220 VanDerWaalsContact C-N 3.33Å; A218-L220 PolarHBondContact O-N 3.4Å; A218-G221 WeakPolarHBondContact O-CA 3.33Å; A218-G221 PolarHBondContact O-N 2.96Å
219	R	96.6	Very high	92.9	Very high	61 Å²	61	49.2 Å²	49.2	23%	0.23	26%	0.263	C	S	.	.	H	α-helix	trans	-62.1	-38.5	178.4	-170.4	-167	68.6	81.4	-1.2	112.3	N215 E216 G221 Q278 D490 Y492 Y493	N215-R219 VanDerWaalsContact O-CB 3.29Å; N215-R219 WeakPolarHBondContact O-CB 3.46Å; N215-R219 PolarHBondContact O-N 3.4Å; E216-R219 PolarHBondContact O-N 2.9Å; E216-R219 IonicContact OE1-CZ 2.72Å; E216-R219 IonicContact OE1-NE 2.57Å; E216-R219 IonicContact OE1-NH2 3.7Å; E216-R219 PolarHBondContact OE1-NH2 3.13Å; E216-R219 IonicContact OE2-CZ 3.14Å; E216-R219 IonicContact OE2-NE 3.13Å; E216-R219 PolarHBondContact OE2-NE 2.91Å; E216-R219 IonicContact OE2-NH2 3.22Å; E216-R219 PolarHBondContact OE2-NH2 3.31Å; R219-G221 PolarHBondContact O-N 2.91Å; R219-Q278 PolarHBondContact O-NE2 2.92Å; R219-D490 IonicContact CZ-OD2 2.82Å; R219-D490 VanDerWaalsContact CZ-OD2 3.27Å; R219-D490 VanDerWaalsContact NH1-CG 3.32Å; R219-D490 IonicContact NH1-OD1 3.79Å; R219-D490 PolarHBondContact NH1-OD1 3.15Å; R219-D490 VanDerWaalsContact NH1-OD1 3.07Å; R219-D490 IonicContact NH1-OD2 4Å; R219-D490 PolarHBondContact NH1-OD2 3.18Å; R219-D490 IonicContact NH2-OD2 2.73Å; R219-D490 PolarHBondContact NH2-OD2 3.11Å; R219-Y492 VanDerWaalsContact NH1-CB 3.33Å; R219-Y493 VanDerWaalsContact NH2-CZ 3.31Å; R219-Y493 PolarHBondContact NH2-OH 3.27Å
220	L	96.1	Very high	93.4	Very high	3 Å²	3	50.8 Å²	50.8	2%	0.016	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-6.7	175.8	-67.1	172	0	0	0	113.6	E216 A218 F222 W275 R276	E216-L220 HydrophobicContact CG-CD1 4.2Å; E216-L220 WeakPolarHBondContact O-CB 3.38Å; E216-L220 VanDerWaalsContact O-CG 3.28Å; E216-L220 WeakPolarHBondContact O-CG 3.38Å; E216-L220 PolarHBondContact O-N 3.48Å; E216-L220 WeakPolarHBondContact OE1-CD1 3.48Å; A218-L220 VanDerWaalsContact C-N 3.33Å; A218-L220 PolarHBondContact O-N 3.4Å; L220-F222 VanDerWaalsContact C-N 3.34Å; L220-F222 HydrophobicContact CB-CD2 3.71Å; L220-F222 HydrophobicContact CB-CE2 3.54Å; L220-F222 HydrophobicContact CD1-CE2 3.75Å; L220-F222 HydrophobicContact CG-CE2 4.3Å; L220-F222 PolarHBondContact O-N 3.44Å; L220-W275 HydrophobicContact CD2-CG 4.13Å; L220-R276 PolarHBondContact O-NH1 2.86Å
221	G	94.5	Very high	93.9	Very high	25 Å²	25	47.4 Å²	47.4	26%	0.258	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	32.3	171.6	0	0	0	0	0	113.7	V217 A218 R219 D223 R276	V217-G221 PolarHBondContact O-N 2.87Å; A218-G221 WeakPolarHBondContact O-CA 3.33Å; A218-G221 PolarHBondContact O-N 2.96Å; R219-G221 PolarHBondContact O-N 2.91Å; G221-D223 PolarHBondContact O-N 3.13Å; G221-R276 PolarHBondContact O-NH1 3.3Å; G221-R276 PolarHBondContact O-NH2 3.35Å
222	F	93.2	Very high	94.2	Very high	17 Å²	17	48.6 Å²	48.6	8%	0.075	26%	0.262	C	S	.	.			trans	-65.7	126.7	175.1	-71.7	-80.7	0	0	0	110.8	V217 L220 L224 W228 L248 V273 R276 I283	V217-F222 HydrophobicContact CG1-CB 4.21Å; V217-F222 HydrophobicContact CG1-CD2 4.17Å; V217-F222 PolarHBondContact O-N 2.96Å; L220-F222 VanDerWaalsContact C-N 3.34Å; L220-F222 HydrophobicContact CB-CD2 3.71Å; L220-F222 HydrophobicContact CB-CE2 3.54Å; L220-F222 HydrophobicContact CD1-CE2 3.75Å; L220-F222 HydrophobicContact CG-CE2 4.3Å; L220-F222 PolarHBondContact O-N 3.44Å; F222-L224 PolarHBondContact O-N 3.5Å; F222-L224 VanDerWaalsContact O-N 3.13Å; F222-W228 HydrophobicContact CB-CG 4.48Å; F222-W228 AromaticContact CD1-CD1 3.71Å; F222-W228 HydrophobicContact CD1-CD2 4.01Å; F222-W228 AromaticContact CD1-CE2 3.96Å; F222-W228 AromaticContact CD1-CG 3.9Å; F222-W228 HydrophobicContact CD1-CG 3.9Å; F222-W228 AromaticContact CD1-NE1 3.72Å; F222-W228 HydrophobicContact CE1-CD2 4.37Å; F222-L248 HydrophobicContact CB-CD2 4.42Å; F222-L248 HydrophobicContact CD1-CD2 3.5Å; F222-L248 HydrophobicContact CD2-CD2 3.53Å; F222-L248 HydrophobicContact CE1-CD2 3.37Å; F222-L248 HydrophobicContact CE2-CD2 3.41Å; F222-L248 VanDerWaalsContact CE2-CD2 3.41Å; F222-L248 HydrophobicContact CG-CD2 3.57Å; F222-L248 HydrophobicContact CZ-CD2 3.33Å; F222-V273 HydrophobicContact CE1-CG1 3.86Å; F222-V273 HydrophobicContact CZ-CG1 3.73Å; F222-R276 HydrophobicContact CD1-CB 4.22Å; F222-R276 HydrophobicContact CD1-CG 4.41Å; F222-R276 HydrophobicContact CE1-CB 3.52Å; F222-R276 VanDerWaalsContact CE1-CD 3.48Å; F222-R276 HydrophobicContact CE1-CG 4.09Å; F222-R276 HydrophobicContact CE2-CB 4.04Å; F222-R276 HydrophobicContact CZ-CB 3.41Å; F222-R276 VanDerWaalsContact CZ-CB 3.41Å; F222-R276 HydrophobicContact CZ-CG 4.42Å; F222-I283 HydrophobicContact CE1-CG2 4.12Å
223	D	91.4	Very high	94.4	Very high	25 Å²	25	48.6 Å²	48.6	13%	0.134	27%	0.265	C	S	.	.			trans	-68.7	106	167.9	165.3	38.1	0	0	0	110.7	G221 K225 G226 S227 W228	G221-D223 PolarHBondContact O-N 3.13Å; D223-K225 VanDerWaalsContact C-N 3.34Å; D223-K225 WeakPolarHBondContact OD1-CA 3.48Å; D223-K225 WeakPolarHBondContact OD1-CB 3.34Å; D223-K225 PolarHBondContact OD1-N 2.78Å; D223-G226 PolarHBondContact OD1-N 3.19Å; D223-G226 WeakPolarHBondContact OD2-CA 3.34Å; D223-G226 PolarHBondContact OD2-N 3.48Å; D223-S227 WeakPolarHBondContact OD2-CB 3.25Å; D223-S227 PolarHBondContact OD2-N 3.21Å; D223-S227 PolarHBondContact OD2-OG 3.04Å; D223-W228 WeakPolarHBondContact O-CB 3.27Å; D223-W228 PolarHBondContact O-N 2.73Å
224	L	92.3	Very high	94.6	Very high	81 Å²	81	47 Å²	47	42%	0.424	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	12.2	175.2	-61.2	-179.5	0	0	0	113.8	V217 F222 W228 I230 L248	V217-L224 HydrophobicContact CG1-CD1 3.95Å; V217-L224 HydrophobicContact CG1-CD2 4.14Å; V217-L224 HydrophobicContact CG1-CG 4.3Å; F222-L224 PolarHBondContact O-N 3.5Å; F222-L224 VanDerWaalsContact O-N 3.13Å; L224-W228 WeakPolarHBondContact CA-O 3.49Å; L224-W228 HydrophobicContact CD2-CB 4.21Å; L224-I230 HydrophobicContact CD1-CD1 3.83Å; L224-I230 HydrophobicContact CD1-CG1 4.4Å; L224-I230 HydrophobicContact CD2-CD1 4.45Å; L224-I230 HydrophobicContact CD2-CG1 4.12Å; L224-L248 HydrophobicContact CD2-CD1 3.86Å
225	K	86.9	Confident	94.8	Very high	202 Å²	202	44.4 Å²	44.4	88%	0.878	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	-29	-178.4	-64.6	-178.7	-179.9	176.5	0	113.6	D223	D223-K225 VanDerWaalsContact C-N 3.34Å; D223-K225 WeakPolarHBondContact OD1-CA 3.48Å; D223-K225 WeakPolarHBondContact OD1-CB 3.34Å; D223-K225 PolarHBondContact OD1-N 2.78Å
226	G	87.1	Confident	94.8	Very high	39 Å²	39	43 Å²	43	40%	0.402	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.8	-52	173.5	0	0	0	0	0	113.9	D223 C251	D223-G226 PolarHBondContact OD1-N 3.19Å; D223-G226 WeakPolarHBondContact OD2-CA 3.34Å; D223-G226 PolarHBondContact OD2-N 3.48Å; G226-C251 WeakPolarHBondContact O-CB 3.26Å
227	S	91.6	Very high	94.8	Very high	7 Å²	7	43.6 Å²	43.6	5%	0.049	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-45.6	-163.3	-49.8	0	0	0	0	113.1	D223 C251	D223-S227 WeakPolarHBondContact OD2-CB 3.25Å; D223-S227 PolarHBondContact OD2-N 3.21Å; D223-S227 PolarHBondContact OD2-OG 3.04Å; S227-C251 PolarHBondContact O-N 3.33Å
228	W	96.3	Very high	94.9	Very high	1 Å²	1	49.8 Å²	49.8	0%	0.004	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	158.7	-171.6	-57.4	95	0	0	0	111.9	F222 D223 L224 L248 P250 V273 I283 L309 A312 D316	F222-W228 HydrophobicContact CB-CG 4.48Å; F222-W228 AromaticContact CD1-CD1 3.71Å; F222-W228 HydrophobicContact CD1-CD2 4.01Å; F222-W228 AromaticContact CD1-CE2 3.96Å; F222-W228 AromaticContact CD1-CG 3.9Å; F222-W228 HydrophobicContact CD1-CG 3.9Å; F222-W228 AromaticContact CD1-NE1 3.72Å; F222-W228 HydrophobicContact CE1-CD2 4.37Å; D223-W228 WeakPolarHBondContact O-CB 3.27Å; D223-W228 PolarHBondContact O-N 2.73Å; L224-W228 WeakPolarHBondContact CA-O 3.49Å; L224-W228 HydrophobicContact CD2-CB 4.21Å; W228-L248 HydrophobicContact CB-CD1 4.35Å; W228-L248 HydrophobicContact CE3-CG 4.48Å; W228-P250 HydrophobicContact CE3-CG 4.5Å; W228-P250 HydrophobicContact CZ3-CG 3.96Å; W228-V273 HydrophobicContact CH2-CG2 4.12Å; W228-V273 HydrophobicContact CZ3-CG2 3.69Å; W228-I283 HydrophobicContact CH2-CG1 4.24Å; W228-I283 HydrophobicContact CH2-CG2 3.84Å; W228-I283 HydrophobicContact CZ2-CG2 3.61Å; W228-L309 HydrophobicContact CH2-CD2 4.05Å; W228-L309 HydrophobicContact CZ3-CD2 3.84Å; W228-A312 HydrophobicContact CH2-CB 3.78Å; W228-A312 HydrophobicContact CZ2-CB 3.68Å; W228-A312 HydrophobicContact CZ3-CB 4.27Å; W228-D316 PolarHBondContact NE1-OD2 3Å
229	R	96.5	Very high	95	Very high	49 Å²	49	46.3 Å²	46.3	19%	0.185	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	154.5	165.5	71.1	178	-172.8	86.1	8.5	111.2	V249 I253 D255	R229-V249 HydrophobicContact CG-CG2 3.73Å; R229-V249 PolarHBondContact N-O 2.77Å; R229-V249 PolarHBondContact O-N 2.64Å; R229-V249 VanDerWaalsContact O-N 3.08Å; R229-I253 PolarHBondContact NE-O 2.76Å; R229-I253 PolarHBondContact NH2-O 2.95Å; R229-D255 IonicContact CZ-OD1 3.2Å; R229-D255 VanDerWaalsContact CZ-OD1 3.23Å; R229-D255 IonicContact NH1-OD1 3.77Å; R229-D255 PolarHBondContact NH1-OD1 3.33Å; R229-D255 IonicContact NH1-OD2 2.85Å; R229-D255 PolarHBondContact NH1-OD2 2.84Å; R229-D255 IonicContact NH2-OD1 3.72Å; R229-D255 PolarHBondContact NH2-OD1 3.04Å
230	I	97.6	Very high	95.1	Very high	60 Å²	60	43.4 Å²	43.4	31%	0.308	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	117.5	166.7	-62.5	162.3	0	0	0	107.4	F213 L224 K246 L248	F213-I230 HydrophobicContact CE1-CD1 3.96Å; F213-I230 HydrophobicContact CE1-CG1 3.99Å; F213-I230 HydrophobicContact CE1-CG2 3.78Å; F213-I230 HydrophobicContact CZ-CG1 4.35Å; F213-I230 HydrophobicContact CZ-CG2 4.05Å; L224-I230 HydrophobicContact CD1-CD1 3.83Å; L224-I230 HydrophobicContact CD1-CG1 4.4Å; L224-I230 HydrophobicContact CD2-CD1 4.45Å; L224-I230 HydrophobicContact CD2-CG1 4.12Å; I230-K246 HydrophobicContact CG2-CB 4.04Å; I230-K246 HydrophobicContact CG2-CD 4.2Å; I230-K246 HydrophobicContact CG2-CG 4.34Å; I230-L248 HydrophobicContact CG1-CD1 4.03Å
231	S	97.8	Very high	95.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	137.3	168.2	175.3	0	0	0	0	110.5	A233 K246 L247 D255 L258	S231-A233 VanDerWaalsContact OG-CB 3.24Å; S231-A233 WeakPolarHBondContact OG-CB 3.37Å; S231-A233 PolarHBondContact OG-N 3.13Å; S231-A233 VanDerWaalsContact OG-N 3.07Å; S231-K246 WeakPolarHBondContact O-CA 3.46Å; S231-L247 PolarHBondContact N-O 3.48Å; S231-L247 PolarHBondContact O-N 2.91Å; S231-L247 VanDerWaalsContact O-N 3.11Å; S231-D255 WeakPolarHBondContact CB-OD1 3.48Å; S231-D255 PolarHBondContact OG-OD1 2.97Å; S231-L258 WeakPolarHBondContact OG-CD1 3.29Å
232	T	97.1	Very high	95.4	Very high	80 Å²	80	45.6 Å²	45.6	49%	0.491	25%	0.249	S	C	.	.			trans	-105.3	16	169	52.1	0	0	0	0	112.1	N234 A235 K246	T232-N234 PolarHBondContact O-N 3.14Å; T232-N234 VanDerWaalsContact O-N 3.08Å; T232-A235 WeakPolarHBondContact O-CB 3.41Å; T232-A235 PolarHBondContact O-N 2.9Å; T232-K246 HydrophobicContact CG2-CG 4.47Å
233	A	97.6	Very high	95.6	Very high	18 Å²	18	44.8 Å²	44.8	15%	0.149	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-16.5	-178.1	0	0	0	0	0	114.4	S231 L239 D255 L258	S231-A233 VanDerWaalsContact OG-CB 3.24Å; S231-A233 WeakPolarHBondContact OG-CB 3.37Å; S231-A233 PolarHBondContact OG-N 3.13Å; S231-A233 VanDerWaalsContact OG-N 3.07Å; A233-L239 HydrophobicContact CB-CD2 3.77Å; A233-L239 WeakPolarHBondContact O-CB 3.37Å; A233-D255 HydrophobicContact CB-CB 3.85Å; A233-L258 HydrophobicContact CB-CD1 4.36Å
234	N	98.1	Very high	95.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107	15.1	175.5	-157.2	39.6	0	0	0	113.2	T232 D236 F237 L239 C240 Y243 P244 P245 L247	T232-N234 PolarHBondContact O-N 3.14Å; T232-N234 VanDerWaalsContact O-N 3.08Å; N234-D236 PolarHBondContact O-N 3.21Å; N234-F237 WeakPolarHBondContact O-CA 3.44Å; N234-F237 PolarHBondContact O-N 3.48Å; N234-F237 WeakPolarHBondContact OD1-CA 3.39Å; N234-L239 HydrophobicContact CB-CB 4.12Å; N234-L239 HydrophobicContact CB-CD2 4.4Å; N234-L239 WeakPolarHBondContact OD1-CB 3.48Å; N234-L239 PolarHBondContact OD1-N 3.35Å; N234-C240 PolarHBondContact ND2-O 3.16Å; N234-C240 PolarHBondContact OD1-N 3.49Å; N234-C240 PolarHBondContact OD1-O 2.93Å; N234-Y243 PolarHBondContact ND2-O 3.31Å; N234-P244 PolarHBondContact ND2-O 2.87Å; N234-P245 CarbonylContact C-O 3.41Å; N234-P245 VanDerWaalsContact C-O 3.29Å; N234-P245 VanDerWaalsContact O-CA 3.28Å; N234-P245 WeakPolarHBondContact O-CA 3.17Å; N234-L247 HydrophobicContact CB-CD1 4.43Å
235	A	96.7	Very high	96.1	Very high	62 Å²	62	41 Å²	41	51%	0.512	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-24.1	-171	0	0	0	0	0	114.6	T232 P245	T232-A235 WeakPolarHBondContact O-CB 3.41Å; T232-A235 PolarHBondContact O-N 2.9Å; A235-P245 WeakPolarHBondContact CA-O 3.43Å; A235-P245 PolarHBondContact N-O 2.92Å
236	D	95.9	Very high	96.6	Very high	79 Å²	79	33.4 Å²	33.4	42%	0.422	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	15.9	175.6	66.3	0.7	0	0	0	113.3	N234 K238	N234-D236 PolarHBondContact O-N 3.21Å; D236-K238 PolarHBondContact O-N 3.17Å; D236-K238 WeakPolarHBondContact OD1-CB 3.5Å; D236-K238 WeakPolarHBondContact OD1-CG 3.46Å; D236-K238 PolarHBondContact OD1-N 2.98Å; D236-K238 VanDerWaalsContact OD1-N 3.14Å; D236-K238 WeakPolarHBondContact OD2-CD 3.3Å; D236-K238 WeakPolarHBondContact OD2-CE 3.33Å; D236-K238 IonicContact OD2-NZ 3.14Å; D236-K238 PolarHBondContact OD2-NZ 2.9Å
237	F	97.4	Very high	97	Very high	20 Å²	20	31.7 Å²	31.7	9%	0.088	18%	0.176	C	C	.	.	S	Bend	trans	59.7	16.2	-179.4	-55.2	-87.1	0	0	0	115.8	N234 C240 P241 Y243 P245 L579 R580 I583	N234-F237 WeakPolarHBondContact O-CA 3.44Å; N234-F237 PolarHBondContact O-N 3.48Å; N234-F237 WeakPolarHBondContact OD1-CA 3.39Å; F237-C240 CarbonylContact O-C 3.55Å; F237-P241 VanDerWaalsContact O-CA 3.27Å; F237-P241 WeakPolarHBondContact O-CA 3.13Å; F237-P241 WeakPolarHBondContact O-CG 3.22Å; F237-Y243 WeakPolarHBondContact CD1-O 3.39Å; F237-Y243 WeakPolarHBondContact CE1-O 3.39Å; F237-P245 HydrophobicContact CE1-CB 4.3Å; F237-P245 HydrophobicContact CE1-CG 4.38Å; F237-P245 HydrophobicContact CZ-CB 4.12Å; F237-P245 HydrophobicContact CZ-CG 4.08Å; F237-L579 HydrophobicContact CE1-CD2 4.28Å; F237-L579 HydrophobicContact CE1-CG 4.37Å; F237-L579 HydrophobicContact CZ-CD2 4.22Å; F237-L579 HydrophobicContact CZ-CG 4.21Å; F237-R580 HydrophobicContact CB-CB 4.31Å; F237-R580 HydrophobicContact CB-CG 3.89Å; F237-R580 HydrophobicContact CD1-CB 3.79Å; F237-R580 HydrophobicContact CD1-CG 4.23Å; F237-R580 HydrophobicContact CD2-CB 4.16Å; F237-R580 HydrophobicContact CD2-CG 3.85Å; F237-R580 HydrophobicContact CE1-CB 4.06Å; F237-R580 HydrophobicContact CE2-CB 4.43Å; F237-R580 HydrophobicContact CE2-CG 4.42Å; F237-R580 HydrophobicContact CG-CB 3.84Å; F237-R580 HydrophobicContact CG-CG 3.74Å; F237-R580 HydrophobicContact CZ-CB 4.38Å; F237-I583 HydrophobicContact CE2-CD1 4.08Å; F237-I583 HydrophobicContact CZ-CD1 3.87Å
238	K	97.3	Very high	97.3	Very high	141 Å²	141	31.7 Å²	31.7	61%	0.613	18%	0.175	S	C	*	.			trans	-79.3	-32.5	179.7	-68.3	180	-167.8	136.8	0	114.5	D236	D236-K238 PolarHBondContact O-N 3.17Å; D236-K238 WeakPolarHBondContact OD1-CB 3.5Å; D236-K238 WeakPolarHBondContact OD1-CG 3.46Å; D236-K238 PolarHBondContact OD1-N 2.98Å; D236-K238 VanDerWaalsContact OD1-N 3.14Å; D236-K238 WeakPolarHBondContact OD2-CD 3.3Å; D236-K238 WeakPolarHBondContact OD2-CE 3.33Å; D236-K238 IonicContact OD2-NZ 3.14Å; D236-K238 PolarHBondContact OD2-NZ 2.9Å
239	L	97.7	Very high	97.3	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.016	18%	0.175	C	C	.	.	S	Bend	trans	-65.4	-49.8	178.8	176	66.5	0	0	0	110.4	A233 N234 L247 L258 H259 A262 R268 L270	A233-L239 HydrophobicContact CB-CD2 3.77Å; A233-L239 WeakPolarHBondContact O-CB 3.37Å; N234-L239 HydrophobicContact CB-CB 4.12Å; N234-L239 HydrophobicContact CB-CD2 4.4Å; N234-L239 WeakPolarHBondContact OD1-CB 3.48Å; N234-L239 PolarHBondContact OD1-N 3.35Å; L239-L247 HydrophobicContact CD2-CD1 4.18Å; L239-L258 HydrophobicContact CD2-CB 4.15Å; L239-H259 HydrophobicContact CD1-CB 4.27Å; L239-A262 HydrophobicContact CD1-CB 3.47Å; L239-A262 VanDerWaalsContact CD1-CB 3.47Å; L239-A262 HydrophobicContact CG-CB 4.21Å; L239-R268 VanDerWaalsContact O-CB 3.31Å; L239-R268 WeakPolarHBondContact O-CB 3.48Å; L239-R268 WeakPolarHBondContact O-CD 3.44Å; L239-L270 HydrophobicContact CD2-CD1 4.33Å; L239-L270 HydrophobicContact CD2-CD2 4.39Å
240	C	98.4	Very high	97.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.167	C	C	.	.			trans	-147	107.1	172.5	-179.2	0	0	0	0	110.3	N234 F237 S242 Y243 R268 R269 L270	N234-C240 PolarHBondContact ND2-O 3.16Å; N234-C240 PolarHBondContact OD1-N 3.49Å; N234-C240 PolarHBondContact OD1-O 2.93Å; F237-C240 CarbonylContact O-C 3.55Å; C240-S242 PolarHBondContact O-N 3.41Å; C240-S242 VanDerWaalsContact O-N 3.11Å; C240-Y243 HydrophobicContact CB-CD2 4.28Å; C240-Y243 HydrophobicContact CB-CG 4.11Å; C240-Y243 PolarHBondContact O-N 3.31Å; C240-R268 HydrophobicContact CB-CB 4.16Å; C240-R268 WeakPolarHBondContact CB-O 3.48Å; C240-R268 PolarHBondContact SG-O 3.5Å; C240-R269 WeakPolarHBondContact SG-CG 3.48Å; C240-L270 HydrophobicContact CB-CD2 4.36Å
241	P	98.1	Very high	97.3	Very high	53 Å²	53	29.4 Å²	29.4	34%	0.344	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-21.8	-175.9	-28.1	35.6	0	0	0	116.2	F237	F237-P241 VanDerWaalsContact O-CA 3.27Å; F237-P241 WeakPolarHBondContact O-CA 3.13Å; F237-P241 WeakPolarHBondContact O-CG 3.22Å
242	S	98	Very high	97.2	Very high	20 Å²	20	34.1 Å²	34.1	14%	0.14	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	11.4	-177.1	59	0	0	0	0	113.7	C240 R269 F510 G511	C240-S242 PolarHBondContact O-N 3.41Å; C240-S242 VanDerWaalsContact O-N 3.11Å; S242-R269 VanDerWaalsContact CB-NH1 3.32Å; S242-R269 PolarHBondContact O-NH1 2.97Å; S242-R269 WeakPolarHBondContact OG-CD 3.49Å; S242-R269 PolarHBondContact OG-NH1 3.31Å; S242-F510 CarbonylContact O-C 3.13Å; S242-G511 PolarHBondContact O-N 3.35Å
243	Y	98.3	Very high	97.2	Very high	1 Å²	1	30.6 Å²	30.6	0%	0.004	18%	0.181	C	C	.	.	S	Bend	trans	-110	161	177.5	-96.4	22.9	0	0	0	111.7	N234 F237 C240 L247 R269 L270 A272 R286 N509 F510	N234-Y243 PolarHBondContact ND2-O 3.31Å; F237-Y243 WeakPolarHBondContact CD1-O 3.39Å; F237-Y243 WeakPolarHBondContact CE1-O 3.39Å; C240-Y243 HydrophobicContact CB-CD2 4.28Å; C240-Y243 HydrophobicContact CB-CG 4.11Å; C240-Y243 PolarHBondContact O-N 3.31Å; Y243-L247 HydrophobicContact CD2-CD1 4.2Å; Y243-L247 HydrophobicContact CD2-CD2 3.67Å; Y243-L247 HydrophobicContact CE2-CD2 4.32Å; Y243-L247 HydrophobicContact CG-CD2 4.44Å; Y243-R269 HydrophobicContact CD1-CB 4.35Å; Y243-R269 HydrophobicContact CD1-CG 3.97Å; Y243-R269 HydrophobicContact CE1-CB 3.62Å; Y243-R269 HydrophobicContact CE1-CG 3.69Å; Y243-R269 PolarHBondContact OH-O 3.33Å; Y243-L270 HydrophobicContact CD2-CD2 3.92Å; Y243-L270 HydrophobicContact CE2-CD2 3.84Å; Y243-L270 HydrophobicContact CE2-CG 4.42Å; Y243-L270 WeakPolarHBondContact CE2-O 3.38Å; Y243-L270 PolarHBondContact OH-O 3.48Å; Y243-A272 HydrophobicContact CE2-CB 3.8Å; Y243-R286 PolarHBondContact OH-O 3.25Å; Y243-N509 CarbonylContact C-O 3.42Å; Y243-F510 AromaticContact CD1-CD1 3.63Å; Y243-F510 HydrophobicContact CD1-CD1 3.63Å; Y243-F510 HydrophobicContact CD1-CE1 4.03Å; Y243-F510 HydrophobicContact CD2-CE1 4.08Å; Y243-F510 AromaticContact CE1-CD1 3.57Å; Y243-F510 HydrophobicContact CE1-CD1 3.57Å; Y243-F510 AromaticContact CE1-CE1 3.91Å; Y243-F510 HydrophobicContact CE1-CE1 3.91Å; Y243-F510 HydrophobicContact CE2-CD1 4.47Å; Y243-F510 AromaticContact CE2-CE1 3.98Å; Y243-F510 HydrophobicContact CE2-CE1 3.98Å; Y243-F510 HydrophobicContact CG-CD1 4.1Å; Y243-F510 HydrophobicContact CG-CE1 4.09Å; Y243-F510 AromaticContact CZ-CE1 3.88Å
244	P	97.1	Very high	97.2	Very high	6 Å²	6	33.2 Å²	33.2	4%	0.039	20%	0.196	C	C	.	.			trans	-63.7	156.9	171.6	27.8	-34.5	0	0	0	111.8	Y209 N234 K246 L247 N509 F510	Y209-P244 HydrophobicContact CE2-CB 3.71Å; N234-P244 PolarHBondContact ND2-O 2.87Å; P244-K246 PolarHBondContact O-N 2.59Å; P244-L247 HydrophobicContact CG-CD2 4.09Å; P244-N509 HydrophobicContact CB-CB 4.46Å; P244-N509 WeakPolarHBondContact CD-O 3.22Å; P244-F510 HydrophobicContact CG-CD1 4.36Å; P244-F510 HydrophobicContact CG-CD2 4.42Å; P244-F510 HydrophobicContact CG-CE1 3.98Å; P244-F510 HydrophobicContact CG-CE2 4.03Å; P244-F510 HydrophobicContact CG-CZ 3.8Å
245	P	96.5	Very high	97.2	Very high	19 Å²	19	35.6 Å²	35.6	12%	0.123	21%	0.209	C	C	.	.	S	Bend	trans	-71.7	-13.6	-176.1	26.9	-35	0	0	0	114.6	Y209 N234 A235 F237	Y209-P245 HydrophobicContact CD1-CG 4.21Å; Y209-P245 HydrophobicContact CE1-CG 3.49Å; Y209-P245 VanDerWaalsContact CE1-CG 3.49Å; N234-P245 CarbonylContact C-O 3.41Å; N234-P245 VanDerWaalsContact C-O 3.29Å; N234-P245 VanDerWaalsContact O-CA 3.28Å; N234-P245 WeakPolarHBondContact O-CA 3.17Å; A235-P245 WeakPolarHBondContact CA-O 3.43Å; A235-P245 PolarHBondContact N-O 2.92Å; F237-P245 HydrophobicContact CE1-CB 4.3Å; F237-P245 HydrophobicContact CE1-CG 4.38Å; F237-P245 HydrophobicContact CZ-CB 4.12Å; F237-P245 HydrophobicContact CZ-CG 4.08Å
246	K	96.8	Very high	97.2	Very high	43 Å²	43	39.1 Å²	39.1	19%	0.187	21%	0.214	C	C	.	.			trans	-123.2	137.1	173.8	-61.2	177.5	175.6	174.8	0	110.8	Y209 E210 F213 I230 S231 T232 P244	Y209-K246 WeakPolarHBondContact OH-CB 3.36Å; Y209-K246 PolarHBondContact OH-N 3.39Å; Y209-K246 VanDerWaalsContact OH-N 3.16Å; E210-K246 IonicContact OE1-NZ 2.66Å; E210-K246 PolarHBondContact OE1-NZ 3.48Å; E210-K246 WeakPolarHBondContact OE2-CE 3.39Å; E210-K246 IonicContact OE2-NZ 3.6Å; E210-K246 PolarHBondContact OE2-NZ 3.47Å; F213-K246 HydrophobicContact CD1-CB 4.36Å; F213-K246 HydrophobicContact CD1-CD 4.16Å; F213-K246 HydrophobicContact CD2-CB 4.45Å; F213-K246 HydrophobicContact CE1-CB 3.85Å; F213-K246 HydrophobicContact CE1-CD 4.1Å; F213-K246 HydrophobicContact CE2-CB 3.95Å; F213-K246 HydrophobicContact CZ-CB 3.63Å; I230-K246 HydrophobicContact CG2-CB 4.04Å; I230-K246 HydrophobicContact CG2-CD 4.2Å; I230-K246 HydrophobicContact CG2-CG 4.34Å; S231-K246 WeakPolarHBondContact O-CA 3.46Å; T232-K246 HydrophobicContact CG2-CG 4.47Å; P244-K246 PolarHBondContact O-N 2.59Å
247	L	97.2	Very high	97.3	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.021	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	140.8	-178.3	-57.6	175.7	0	0	0	109.5	S231 N234 L239 Y243 P244 L270 A272	S231-L247 PolarHBondContact N-O 3.48Å; S231-L247 PolarHBondContact O-N 2.91Å; S231-L247 VanDerWaalsContact O-N 3.11Å; N234-L247 HydrophobicContact CB-CD1 4.43Å; L239-L247 HydrophobicContact CD2-CD1 4.18Å; Y243-L247 HydrophobicContact CD2-CD1 4.2Å; Y243-L247 HydrophobicContact CD2-CD2 3.67Å; Y243-L247 HydrophobicContact CE2-CD2 4.32Å; Y243-L247 HydrophobicContact CG-CD2 4.44Å; P244-L247 HydrophobicContact CG-CD2 4.09Å; L247-L270 HydrophobicContact CD1-CD2 3.99Å; L247-L270 HydrophobicContact CD1-CG 4.5Å; L247-A272 HydrophobicContact CD2-CB 4.14Å
248	L	96.9	Very high	97.3	Very high	6 Å²	6	35.3 Å²	35.3	3%	0.031	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	125.4	176.5	-168.1	75.9	0	0	0	109.9	V217 F222 L224 W228 I230 V273	V217-L248 HydrophobicContact CG1-CD1 4.36Å; F222-L248 HydrophobicContact CB-CD2 4.42Å; F222-L248 HydrophobicContact CD1-CD2 3.5Å; F222-L248 HydrophobicContact CD2-CD2 3.53Å; F222-L248 HydrophobicContact CE1-CD2 3.37Å; F222-L248 HydrophobicContact CE2-CD2 3.41Å; F222-L248 VanDerWaalsContact CE2-CD2 3.41Å; F222-L248 HydrophobicContact CG-CD2 3.57Å; F222-L248 HydrophobicContact CZ-CD2 3.33Å; L224-L248 HydrophobicContact CD2-CD1 3.86Å; W228-L248 HydrophobicContact CB-CD1 4.35Å; W228-L248 HydrophobicContact CE3-CG 4.48Å; I230-L248 HydrophobicContact CG1-CD1 4.03Å; L248-V273 HydrophobicContact CB-CB 4.41Å; L248-V273 HydrophobicContact CD2-CB 4.41Å; L248-V273 HydrophobicContact CD2-CG1 4.29Å; L248-V273 PolarHBondContact O-N 3.15Å
249	V	97.1	Very high	97.3	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.012	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	157.8	-171.5	-59	0	0	0	0	111	R229 L258	R229-V249 HydrophobicContact CG-CG2 3.73Å; R229-V249 PolarHBondContact N-O 2.77Å; R229-V249 PolarHBondContact O-N 2.64Å; R229-V249 VanDerWaalsContact O-N 3.08Å; V249-L258 HydrophobicContact CG1-CD1 4.11Å; V249-L258 HydrophobicContact CG1-CD2 3.97Å; V249-L258 HydrophobicContact CG2-CD1 4.48Å
250	P	97.1	Very high	97.3	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	143.9	173.8	-24.8	34.7	0	0	0	112	W228 C252 I253 A308 L309 A312	W228-P250 HydrophobicContact CE3-CG 4.5Å; W228-P250 HydrophobicContact CZ3-CG 3.96Å; P250-C252 PolarHBondContact O-N 3.06Å; P250-C252 VanDerWaalsContact O-N 3.15Å; P250-I253 HydrophobicContact CB-CG1 4.02Å; P250-I253 HydrophobicContact CG-CG1 4.18Å; P250-I253 PolarHBondContact O-N 3.42Å; P250-I253 VanDerWaalsContact O-N 3.12Å; P250-A308 HydrophobicContact CB-CB 4.12Å; P250-A308 HydrophobicContact CG-CB 4.04Å; P250-L309 HydrophobicContact CG-CD2 3.85Å; P250-L309 HydrophobicContact CG-CG 4.12Å; P250-A312 HydrophobicContact CB-CB 4.08Å; P250-A312 HydrophobicContact CG-CB 4.21Å
251	C	95.9	Very high	97.3	Very high	59 Å²	59	35.8 Å²	35.8	40%	0.399	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-28.6	-173.5	-168.2	0	0	0	0	113.6	G226 S227	G226-C251 WeakPolarHBondContact O-CB 3.26Å; S227-C251 PolarHBondContact O-N 3.33Å
252	C	95.5	Very high	97.3	Very high	99 Å²	99	33.3 Å²	33.3	67%	0.669	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-13.3	179.4	58.5	0	0	0	0	115.1	P250	P250-C252 PolarHBondContact O-N 3.06Å; P250-C252 VanDerWaalsContact O-N 3.15Å
253	I	97.6	Very high	97.3	Very high	6 Å²	6	37 Å²	37	3%	0.031	20%	0.203	C	C	.	.			trans	-83.5	130.2	-179.5	-61.9	-68.1	0	0	0	109.4	R229 P250 M257 L258 L305 A308	R229-I253 PolarHBondContact NE-O 2.76Å; R229-I253 PolarHBondContact NH2-O 2.95Å; P250-I253 HydrophobicContact CB-CG1 4.02Å; P250-I253 HydrophobicContact CG-CG1 4.18Å; P250-I253 PolarHBondContact O-N 3.42Å; P250-I253 VanDerWaalsContact O-N 3.12Å; I253-M257 HydrophobicContact CD1-CE 3.37Å; I253-M257 HydrophobicContact CD1-SD 3.51Å; I253-M257 VanDerWaalsContact CD1-SD 3.51Å; I253-M257 HydrophobicContact CG2-CB 4.3Å; I253-M257 HydrophobicContact CG2-CG 4.35Å; I253-M257 HydrophobicContact CG2-SD 4.11Å; I253-L258 HydrophobicContact CG2-CD2 3.62Å; I253-L258 HydrophobicContact CG2-CG 4.08Å; I253-L305 HydrophobicContact CD1-CB 4.4Å; I253-L305 HydrophobicContact CD1-CD1 3.94Å; I253-L305 HydrophobicContact CG1-CD1 3.81Å; I253-L305 HydrophobicContact CG2-CD1 4.22Å; I253-A308 HydrophobicContact CD1-CB 3.69Å; I253-A308 HydrophobicContact CG1-CB 3.97Å
254	T	97.6	Very high	97.3	Very high	74 Å²	74	37.6 Å²	37.6	45%	0.454	21%	0.206	S	C	.	.			trans	-89.2	159.2	177.6	68.1	0	0	0	0	112.7	E256 M257 L258	T254-E256 VanDerWaalsContact C-N 3.29Å; T254-E256 PolarHBondContact O-N 3.36Å; T254-M257 WeakPolarHBondContact O-CB 3.43Å; T254-M257 PolarHBondContact O-N 2.98Å; T254-M257 VanDerWaalsContact O-N 3.13Å; T254-M257 WeakPolarHBondContact OG1-CB 3.46Å; T254-M257 PolarHBondContact OG1-N 3.27Å; T254-M257 VanDerWaalsContact OG1-N 3.17Å; T254-L258 PolarHBondContact O-N 3.46Å; T254-L258 VanDerWaalsContact O-N 3.1Å
255	D	97.8	Very high	97.3	Very high	50 Å²	50	37.4 Å²	37.4	27%	0.267	20%	0.204	S	C	.	.	H	α-helix	trans	-69	-26.4	177.1	-72.7	-20.4	0	0	0	112.8	R229 S231 A233 L258 H259	R229-D255 IonicContact CZ-OD1 3.2Å; R229-D255 VanDerWaalsContact CZ-OD1 3.23Å; R229-D255 IonicContact NH1-OD1 3.77Å; R229-D255 PolarHBondContact NH1-OD1 3.33Å; R229-D255 IonicContact NH1-OD2 2.85Å; R229-D255 PolarHBondContact NH1-OD2 2.84Å; R229-D255 IonicContact NH2-OD1 3.72Å; R229-D255 PolarHBondContact NH2-OD1 3.04Å; S231-D255 WeakPolarHBondContact CB-OD1 3.48Å; S231-D255 PolarHBondContact OG-OD1 2.97Å; A233-D255 HydrophobicContact CB-CB 3.85Å; D255-L258 PolarHBondContact O-N 3.29Å; D255-H259 PolarHBondContact O-N 3.41Å; D255-H259 PolarHBondContact O-ND1 3.13Å
256	E	97.1	Very high	97.4	Very high	136 Å²	136	36.8 Å²	36.8	64%	0.636	20%	0.201	S	C	*	.	H	α-helix	trans	-63.7	-41.6	167.6	-174	-158.9	155.9	0	0	111.5	T254 L258 H259 N260	T254-E256 VanDerWaalsContact C-N 3.29Å; T254-E256 PolarHBondContact O-N 3.36Å; E256-L258 VanDerWaalsContact C-N 3.32Å; E256-L258 PolarHBondContact O-N 3.12Å; E256-H259 WeakPolarHBondContact O-CB 3.28Å; E256-H259 PolarHBondContact O-N 2.98Å; E256-N260 PolarHBondContact O-N 3.26Å; E256-N260 VanDerWaalsContact O-N 3.14Å; E256-N260 PolarHBondContact O-ND2 2.7Å
257	M	97.7	Very high	97.4	Very high	18 Å²	18	37.5 Å²	37.5	9%	0.089	21%	0.212	C	C	.	.	H	α-helix	trans	-64.2	-38.3	176.5	-172	174.9	169.6	0	0	111.2	I253 T254 H259 N260 V261 R301 Q304 L305	I253-M257 HydrophobicContact CD1-CE 3.37Å; I253-M257 HydrophobicContact CD1-SD 3.51Å; I253-M257 VanDerWaalsContact CD1-SD 3.51Å; I253-M257 HydrophobicContact CG2-CB 4.3Å; I253-M257 HydrophobicContact CG2-CG 4.35Å; I253-M257 HydrophobicContact CG2-SD 4.11Å; T254-M257 WeakPolarHBondContact O-CB 3.43Å; T254-M257 PolarHBondContact O-N 2.98Å; T254-M257 VanDerWaalsContact O-N 3.13Å; T254-M257 WeakPolarHBondContact OG1-CB 3.46Å; T254-M257 PolarHBondContact OG1-N 3.27Å; T254-M257 VanDerWaalsContact OG1-N 3.17Å; M257-H259 VanDerWaalsContact C-N 3.33Å; M257-H259 PolarHBondContact O-N 3.49Å; M257-N260 WeakPolarHBondContact O-CB 3.37Å; M257-N260 PolarHBondContact O-N 3.05Å; M257-V261 WeakPolarHBondContact O-CG2 3.29Å; M257-V261 PolarHBondContact O-N 3.23Å; M257-R301 HydrophobicContact CE-CB 4.21Å; M257-R301 WeakPolarHBondContact CE-O 3.37Å; M257-R301 HydrophobicContact CG-CB 3.89Å; M257-R301 HydrophobicContact CG-CG 4.23Å; M257-Q304 HydrophobicContact CE-CB 3.36Å; M257-L305 HydrophobicContact CE-CB 4.42Å
258	L	98.3	Very high	97.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.5	-37.3	172.9	-60.2	179.8	0	0	0	112.7	S231 A233 L239 V249 I253 T254 D255 E256 V261 A262 L270	S231-L258 WeakPolarHBondContact OG-CD1 3.29Å; A233-L258 HydrophobicContact CB-CD1 4.36Å; L239-L258 HydrophobicContact CD2-CB 4.15Å; V249-L258 HydrophobicContact CG1-CD1 4.11Å; V249-L258 HydrophobicContact CG1-CD2 3.97Å; V249-L258 HydrophobicContact CG2-CD1 4.48Å; I253-L258 HydrophobicContact CG2-CD2 3.62Å; I253-L258 HydrophobicContact CG2-CG 4.08Å; T254-L258 PolarHBondContact O-N 3.46Å; T254-L258 VanDerWaalsContact O-N 3.1Å; D255-L258 PolarHBondContact O-N 3.29Å; E256-L258 VanDerWaalsContact C-N 3.32Å; E256-L258 PolarHBondContact O-N 3.12Å; L258-V261 PolarHBondContact O-N 3.19Å; L258-A262 VanDerWaalsContact O-CB 3.28Å; L258-A262 WeakPolarHBondContact O-CB 3.42Å; L258-A262 PolarHBondContact O-N 3.15Å; L258-L270 HydrophobicContact CB-CD1 3.87Å; L258-L270 HydrophobicContact CD2-CD1 3.82Å; L258-L270 HydrophobicContact CG-CD1 4.32Å
259	H	97.6	Very high	97.5	Very high	87 Å²	87	42.5 Å²	42.5	40%	0.403	23%	0.23	S	C	.	.	H	α-helix	trans	-63.5	-40.8	173.5	-76.8	77.2	0	0	0	112.3	L239 D255 E256 M257 A262 N263	L239-H259 HydrophobicContact CD1-CB 4.27Å; D255-H259 PolarHBondContact O-N 3.41Å; D255-H259 PolarHBondContact O-ND1 3.13Å; E256-H259 WeakPolarHBondContact O-CB 3.28Å; E256-H259 PolarHBondContact O-N 2.98Å; M257-H259 VanDerWaalsContact C-N 3.33Å; M257-H259 PolarHBondContact O-N 3.49Å; H259-A262 PolarHBondContact O-N 3.01Å; H259-N263 PolarHBondContact O-N 3.3Å; H259-N263 PolarHBondContact O-ND2 3.35Å
260	N	97.5	Very high	97.6	Very high	67 Å²	67	42.4 Å²	42.4	36%	0.358	23%	0.229	S	C	.	.	H	α-helix	trans	-65.6	-37.8	176.1	-77.6	-92.1	0	0	0	112.2	E256 M257 N299 R301	E256-N260 PolarHBondContact O-N 3.26Å; E256-N260 VanDerWaalsContact O-N 3.14Å; E256-N260 PolarHBondContact O-ND2 2.7Å; M257-N260 WeakPolarHBondContact O-CB 3.37Å; M257-N260 PolarHBondContact O-N 3.05Å; N260-N299 PolarHBondContact O-ND2 2.84Å; N260-R301 HydrophobicContact CB-CB 4.13Å; N260-R301 HydrophobicContact CB-CG 3.82Å
261	V	98.4	Very high	97.6	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.006	23%	0.23	C	C	.	.	H	α-helix	trans	-69.5	-44.6	175.2	173.2	0	0	0	0	111.6	M257 L258 N263 F264 R265 L270 R301 D302 L305	M257-V261 WeakPolarHBondContact O-CG2 3.29Å; M257-V261 PolarHBondContact O-N 3.23Å; L258-V261 PolarHBondContact O-N 3.19Å; V261-N263 VanDerWaalsContact C-N 3.27Å; V261-N263 PolarHBondContact O-N 2.99Å; V261-F264 PolarHBondContact O-N 3.02Å; V261-R265 HydrophobicContact CG1-CG 4.3Å; V261-R265 PolarHBondContact O-N 3.42Å; V261-L270 HydrophobicContact CG1-CB 3.73Å; V261-R301 HydrophobicContact CG2-CB 3.87Å; V261-R301 WeakPolarHBondContact CG2-O 3.34Å; V261-D302 HydrophobicContact CG1-CB 4.41Å; V261-D302 WeakPolarHBondContact CG1-OD1 3.42Å; V261-D302 HydrophobicContact CG2-CB 4.39Å; V261-L305 HydrophobicContact CB-CD2 4.46Å; V261-L305 HydrophobicContact CG1-CD2 3.85Å; V261-L305 HydrophobicContact CG2-CB 4.34Å; V261-L305 HydrophobicContact CG2-CD2 4.13Å
262	A	98.3	Very high	97.7	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.008	21%	0.211	C	C	.	.	H	α-helix	trans	-57.7	-40	179.9	0	0	0	0	0	111.9	L239 L258 H259 F264 R265 R268	L239-A262 HydrophobicContact CD1-CB 3.47Å; L239-A262 VanDerWaalsContact CD1-CB 3.47Å; L239-A262 HydrophobicContact CG-CB 4.21Å; L258-A262 VanDerWaalsContact O-CB 3.28Å; L258-A262 WeakPolarHBondContact O-CB 3.42Å; L258-A262 PolarHBondContact O-N 3.15Å; H259-A262 PolarHBondContact O-N 3.01Å; A262-F264 PolarHBondContact O-N 3.47Å; A262-F264 VanDerWaalsContact O-N 3.09Å; A262-R265 PolarHBondContact O-N 2.95Å; A262-R268 HydrophobicContact CB-CB 4.15Å; A262-R268 HydrophobicContact CB-CG 4.49Å; A262-R268 WeakPolarHBondContact O-CA 3.39Å
263	N	96.9	Very high	97.8	Very high	98 Å²	98	35.5 Å²	35.5	52%	0.524	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	4.4	175.6	-70.8	-32	0	0	0	115.2	H259 V261 R268	H259-N263 PolarHBondContact O-N 3.3Å; H259-N263 PolarHBondContact O-ND2 3.35Å; V261-N263 VanDerWaalsContact C-N 3.27Å; V261-N263 PolarHBondContact O-N 2.99Å; N263-R268 PolarHBondContact OD1-NE 3.06Å; N263-R268 VanDerWaalsContact OD1-NE 3.14Å; N263-R268 PolarHBondContact OD1-NH2 3.25Å
264	F	97.8	Very high	97.9	Very high	13 Å²	13	35.6 Å²	35.6	6%	0.057	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.4	3.4	174.7	176.3	-105.6	0	0	0	112.9	V261 A262 P290 E291 V292 W297 N299 D302	V261-F264 PolarHBondContact O-N 3.02Å; A262-F264 PolarHBondContact O-N 3.47Å; A262-F264 VanDerWaalsContact O-N 3.09Å; F264-P290 HydrophobicContact CD1-CB 4.18Å; F264-P290 HydrophobicContact CE1-CB 3.49Å; F264-P290 VanDerWaalsContact CE1-CB 3.49Å; F264-P290 HydrophobicContact CZ-CB 3.81Å; F264-P290 CarbonylContact O-C 3.58Å; F264-P290 WeakPolarHBondContact O-CA 3.38Å; F264-E291 HydrophobicContact CD2-CB 4.43Å; F264-E291 WeakPolarHBondContact CE2-O 3.44Å; F264-E291 PolarHBondContact O-N 3.34Å; F264-V292 HydrophobicContact CE2-CG2 4.48Å; F264-V292 HydrophobicContact CZ-CG2 3.93Å; F264-W297 HydrophobicContact CE2-CB 4.48Å; F264-N299 HydrophobicContact CB-CB 3.79Å; F264-N299 VanDerWaalsContact CB-ND2 3.27Å; F264-N299 WeakPolarHBondContact CB-ND2 3.46Å; F264-N299 HydrophobicContact CD1-CB 3.36Å; F264-N299 HydrophobicContact CD2-CB 3.84Å; F264-N299 HydrophobicContact CE1-CB 3.8Å; F264-N299 HydrophobicContact CE2-CB 4.23Å; F264-N299 HydrophobicContact CG-CB 3.37Å; F264-N299 HydrophobicContact CZ-CB 4.2Å; F264-D302 HydrophobicContact CD1-CB 3.92Å; F264-D302 HydrophobicContact CE1-CB 4.21Å
265	R	98.3	Very high	97.9	Very high	1 Å²	1	32.4 Å²	32.4	0%	0.004	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-115.2	130.1	179.3	-74.9	-82.7	-178.3	-177.3	-7.5	108.9	V261 A262 S267 R268 C287 S288 D302 E392	V261-R265 HydrophobicContact CG1-CG 4.3Å; V261-R265 PolarHBondContact O-N 3.42Å; A262-R265 PolarHBondContact O-N 2.95Å; R265-S267 PolarHBondContact O-N 3.19Å; R265-R268 WeakPolarHBondContact O-CA 3.39Å; R265-R268 PolarHBondContact O-N 3.09Å; R265-C287 PolarHBondContact NH1-SG 2.86Å; R265-S288 WeakPolarHBondContact CD-O 3.46Å; R265-S288 PolarHBondContact NH1-O 2.86Å; R265-D302 IonicContact CZ-OD1 3.28Å; R265-D302 IonicContact CZ-OD2 2.69Å; R265-D302 IonicContact NE-OD1 2.9Å; R265-D302 PolarHBondContact NE-OD1 3.2Å; R265-D302 IonicContact NE-OD2 2.83Å; R265-D302 IonicContact NH2-OD1 2.82Å; R265-D302 PolarHBondContact NH2-OD1 3.29Å; R265-D302 IonicContact NH2-OD2 3.85Å; R265-D302 PolarHBondContact NH2-OD2 2.96Å; R265-E392 IonicContact CZ-OE1 2.63Å; R265-E392 IonicContact NH1-OE1 2.73Å; R265-E392 PolarHBondContact NH1-OE1 3.41Å; R265-E392 IonicContact NH2-OE1 3.62Å; R265-E392 PolarHBondContact NH2-OE1 2.62Å
266	G	97.4	Very high	97.8	Very high	6 Å²	6	30.1 Å²	30.1	6%	0.062	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-46.3	130.3	-175.9	0	0	0	0	0	113.1	R268 R269 S288 Q289 E291	G266-R268 PolarHBondContact O-N 2.66Å; G266-R268 VanDerWaalsContact O-N 3.09Å; G266-R269 PolarHBondContact O-N 2.93Å; G266-R269 VanDerWaalsContact O-N 3.15Å; G266-S288 PolarHBondContact N-OG 2.92Å; G266-S288 WeakPolarHBondContact O-CB 3.4Å; G266-S288 PolarHBondContact O-OG 2.92Å; G266-Q289 PolarHBondContact N-O 3.49Å; G266-E291 WeakPolarHBondContact CA-OE1 3.32Å
267	S	97	Very high	97.7	Very high	58 Å²	58	24.9 Å²	24.9	41%	0.406	13%	0.126	S	C	.	.	G	3₁₀ helix	trans	55.6	23.4	-175.5	-63.4	0	0	0	0	114.7	R265 R269	R265-S267 PolarHBondContact O-N 3.19Å; S267-R269 VanDerWaalsContact C-N 3.28Å; S267-R269 PolarHBondContact O-N 3.45Å
268	R	98.2	Very high	97.4	Very high	115 Å²	115	29.3 Å²	29.3	43%	0.434	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	63.1	16	-173.7	-61.2	-168.1	176	155.2	2.6	117	L239 C240 A262 N263 R265 G266 L270	L239-R268 VanDerWaalsContact O-CB 3.31Å; L239-R268 WeakPolarHBondContact O-CB 3.48Å; L239-R268 WeakPolarHBondContact O-CD 3.44Å; C240-R268 HydrophobicContact CB-CB 4.16Å; C240-R268 WeakPolarHBondContact CB-O 3.48Å; C240-R268 PolarHBondContact SG-O 3.5Å; A262-R268 HydrophobicContact CB-CB 4.15Å; A262-R268 HydrophobicContact CB-CG 4.49Å; A262-R268 WeakPolarHBondContact O-CA 3.39Å; N263-R268 PolarHBondContact OD1-NE 3.06Å; N263-R268 VanDerWaalsContact OD1-NE 3.14Å; N263-R268 PolarHBondContact OD1-NH2 3.25Å; R265-R268 WeakPolarHBondContact O-CA 3.39Å; R265-R268 PolarHBondContact O-N 3.09Å; G266-R268 PolarHBondContact O-N 2.66Å; G266-R268 VanDerWaalsContact O-N 3.09Å; R268-L270 VanDerWaalsContact C-N 3.31Å; R268-L270 WeakPolarHBondContact O-CD2 3.48Å; R268-L270 PolarHBondContact O-N 2.91Å
269	R	98.6	Very high	96.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.181	C	C	.	.			trans	-84.1	69.5	-171.6	-66.7	166.2	67.3	78.7	2.3	112.2	C240 S242 Y243 G266 S267 C287 S288 D473 G474 F510	C240-R269 WeakPolarHBondContact SG-CG 3.48Å; S242-R269 VanDerWaalsContact CB-NH1 3.32Å; S242-R269 PolarHBondContact O-NH1 2.97Å; S242-R269 WeakPolarHBondContact OG-CD 3.49Å; S242-R269 PolarHBondContact OG-NH1 3.31Å; Y243-R269 HydrophobicContact CD1-CB 4.35Å; Y243-R269 HydrophobicContact CD1-CG 3.97Å; Y243-R269 HydrophobicContact CE1-CB 3.62Å; Y243-R269 HydrophobicContact CE1-CG 3.69Å; Y243-R269 PolarHBondContact OH-O 3.33Å; G266-R269 PolarHBondContact O-N 2.93Å; G266-R269 VanDerWaalsContact O-N 3.15Å; S267-R269 VanDerWaalsContact C-N 3.28Å; S267-R269 PolarHBondContact O-N 3.45Å; R269-C287 CarbonylContact O-C 3.07Å; R269-C287 VanDerWaalsContact O-CA 3.25Å; R269-C287 WeakPolarHBondContact O-CA 3.45Å; R269-C287 VanDerWaalsContact O-CB 3.24Å; R269-C287 WeakPolarHBondContact O-CB 3.34Å; R269-S288 PolarHBondContact O-N 3.46Å; R269-S288 PolarHBondContact O-OG 3.32Å; R269-D473 WeakPolarHBondContact CD-O 3.15Å; R269-D473 PolarHBondContact NE-O 2.98Å; R269-G474 PolarHBondContact NH2-O 3.3Å; R269-F510 VanDerWaalsContact CZ-O 3.32Å; R269-F510 PolarHBondContact NH1-O 3.16Å; R269-F510 PolarHBondContact NH2-O 3.37Å
270	L	98.3	Very high	96.5	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	17%	0.166	C	C	.	.			trans	-57.2	160.3	-179.5	70	167.8	0	0	0	115.1	L239 C240 Y243 L247 L258 V261 R268 A272	L239-L270 HydrophobicContact CD2-CD1 4.33Å; L239-L270 HydrophobicContact CD2-CD2 4.39Å; C240-L270 HydrophobicContact CB-CD2 4.36Å; Y243-L270 HydrophobicContact CD2-CD2 3.92Å; Y243-L270 HydrophobicContact CE2-CD2 3.84Å; Y243-L270 HydrophobicContact CE2-CG 4.42Å; Y243-L270 WeakPolarHBondContact CE2-O 3.38Å; Y243-L270 PolarHBondContact OH-O 3.48Å; L247-L270 HydrophobicContact CD1-CD2 3.99Å; L247-L270 HydrophobicContact CD1-CG 4.5Å; L258-L270 HydrophobicContact CB-CD1 3.87Å; L258-L270 HydrophobicContact CD2-CD1 3.82Å; L258-L270 HydrophobicContact CG-CD1 4.32Å; V261-L270 HydrophobicContact CG1-CB 3.73Å; R268-L270 VanDerWaalsContact C-N 3.31Å; R268-L270 WeakPolarHBondContact O-CD2 3.48Å; R268-L270 PolarHBondContact O-N 2.91Å; L270-A272 PolarHBondContact O-N 2.63Å; L270-A272 VanDerWaalsContact O-N 3.08Å
271	P	98.5	Very high	96.3	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.019	15%	0.149	C	C	.	.			trans	-54.1	111.8	172.7	-27.1	35.7	0	0	0	112.9	R286 C287 L305 L306 L309 L468	P271-R286 WeakPolarHBondContact CA-O 3.21Å; P271-C287 HydrophobicContact CB-CB 4.5Å; P271-C287 HydrophobicContact CG-CB 4.11Å; P271-L305 HydrophobicContact CB-CD2 3.95Å; P271-L305 HydrophobicContact CG-CD2 3.99Å; P271-L306 HydrophobicContact CB-CD1 4.38Å; P271-L306 HydrophobicContact CG-CD1 3.79Å; P271-L309 HydrophobicContact CB-CD1 4.13Å; P271-L468 HydrophobicContact CB-CD1 4Å; P271-L468 HydrophobicContact CG-CD1 4.47Å; P271-L468 HydrophobicContact CG-CD2 4.38Å
272	A	97.9	Very high	96.1	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.008	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	130.6	176.4	0	0	0	0	0	110.2	Y243 L247 L270 A285 R286 F510	Y243-A272 HydrophobicContact CE2-CB 3.8Å; L247-A272 HydrophobicContact CD2-CB 4.14Å; L270-A272 PolarHBondContact O-N 2.63Å; L270-A272 VanDerWaalsContact O-N 3.08Å; A272-A285 CarbonylContact O-C 3.57Å; A272-A285 WeakPolarHBondContact O-CA 3.47Å; A272-A285 WeakPolarHBondContact O-CB 3.47Å; A272-R286 PolarHBondContact N-O 2.78Å; A272-R286 PolarHBondContact O-N 3.02Å; A272-F510 HydrophobicContact CB-CE1 3.88Å; A272-F510 HydrophobicContact CB-CZ 4Å
273	V	98.3	Very high	96.1	Very high	10 Å²	10	30.6 Å²	30.6	6%	0.061	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	134.4	175.9	-177.5	0	0	0	0	110	F222 W228 L248 I283 A285 L309	F222-V273 HydrophobicContact CE1-CG1 3.86Å; F222-V273 HydrophobicContact CZ-CG1 3.73Å; W228-V273 HydrophobicContact CH2-CG2 4.12Å; W228-V273 HydrophobicContact CZ3-CG2 3.69Å; L248-V273 HydrophobicContact CB-CB 4.41Å; L248-V273 HydrophobicContact CD2-CB 4.41Å; L248-V273 HydrophobicContact CD2-CG1 4.29Å; L248-V273 PolarHBondContact O-N 3.15Å; V273-I283 HydrophobicContact CG1-CB 3.88Å; V273-I283 HydrophobicContact CG1-CD1 4.44Å; V273-I283 HydrophobicContact CG1-CG1 4.42Å; V273-I283 HydrophobicContact CG1-CG2 4.03Å; V273-I283 HydrophobicContact CG2-CD1 4.1Å; V273-I283 HydrophobicContact CG2-CG1 4.44Å; V273-A285 HydrophobicContact CG2-CB 4.36Å; V273-L309 HydrophobicContact CG2-CD2 3.44Å; V273-L309 VanDerWaalsContact CG2-CD2 3.44Å
274	V	98	Very high	96.2	Very high	7 Å²	7	25.9 Å²	25.9	4%	0.042	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	-25.2	-178.4	-66.6	0	0	0	0	114.2	L284 R286 V482 R505 E506 F510	V274-L284 HydrophobicContact CG2-CG 4.34Å; V274-L284 VanDerWaalsContact CG2-O 3.32Å; V274-L284 WeakPolarHBondContact CG2-O 3.41Å; V274-L284 PolarHBondContact N-O 3.08Å; V274-R286 HydrophobicContact CG1-CG 3.97Å; V274-V482 HydrophobicContact CG2-CG1 3.77Å; V274-R505 PolarHBondContact O-NH1 3.42Å; V274-R505 VanDerWaalsContact O-NH1 3.13Å; V274-R505 PolarHBondContact O-NH2 3.48Å; V274-E506 WeakPolarHBondContact CB-OE1 3.41Å; V274-F510 HydrophobicContact CG1-CD2 4.26Å; V274-F510 HydrophobicContact CG1-CE2 3.42Å; V274-F510 VanDerWaalsContact CG1-CE2 3.42Å; V274-F510 HydrophobicContact CG1-CZ 3.64Å
275	W	98.5	Very high	96.3	Very high	8 Å²	8	25.3 Å²	25.3	3%	0.03	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	157.9	-179.9	-175.8	83.9	0	0	0	112.3	L220 H277 I283 L284 I460 Q486 L489 D490 Y493	L220-W275 HydrophobicContact CD2-CG 4.13Å; W275-H277 VanDerWaalsContact CH2-CA 3.48Å; W275-H277 HydrophobicContact CH2-CB 3.56Å; W275-H277 AromaticContact CH2-CD2 3.99Å; W275-H277 HydrophobicContact CZ3-CB 3.62Å; W275-I283 CarbonylContact O-C 3.38Å; W275-I283 VanDerWaalsContact O-CA 3.31Å; W275-I283 WeakPolarHBondContact O-CA 3.45Å; W275-L284 HydrophobicContact CB-CB 4.2Å; W275-L284 HydrophobicContact CE3-CB 4.34Å; W275-L284 PolarHBondContact N-O 3.06Å; W275-L284 PolarHBondContact O-N 3.41Å; W275-I460 HydrophobicContact CH2-CG2 3.98Å; W275-I460 HydrophobicContact CZ3-CD1 4.36Å; W275-I460 HydrophobicContact CZ3-CG2 3.48Å; W275-I460 VanDerWaalsContact CZ3-CG2 3.48Å; W275-Q486 HydrophobicContact CB-CG 3.92Å; W275-Q486 HydrophobicContact CG-CG 4Å; W275-L489 HydrophobicContact CE3-CD1 4.32Å; W275-L489 HydrophobicContact CH2-CB 3.92Å; W275-L489 HydrophobicContact CH2-CD1 3.98Å; W275-L489 HydrophobicContact CH2-CD2 4.38Å; W275-L489 HydrophobicContact CH2-CG 4.32Å; W275-L489 HydrophobicContact CZ2-CB 3.83Å; W275-L489 HydrophobicContact CZ3-CD1 3.92Å; W275-D490 HydrophobicContact CZ2-CB 4.22Å; W275-D490 PolarHBondContact NE1-OD2 3.25Å; W275-Y493 AromaticContact CD1-CE2 3.83Å; W275-Y493 AromaticContact NE1-CE2 3.94Å
276	R	96.2	Very high	96.3	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.008	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	134.3	-177.8	171.3	178.1	176	-85.4	9	112.3	L220 G221 F222 Q278 I283 D316 H320	L220-R276 PolarHBondContact O-NH1 2.86Å; G221-R276 PolarHBondContact O-NH1 3.3Å; G221-R276 PolarHBondContact O-NH2 3.35Å; F222-R276 HydrophobicContact CD1-CB 4.22Å; F222-R276 HydrophobicContact CD1-CG 4.41Å; F222-R276 HydrophobicContact CE1-CB 3.52Å; F222-R276 VanDerWaalsContact CE1-CD 3.48Å; F222-R276 HydrophobicContact CE1-CG 4.09Å; F222-R276 HydrophobicContact CE2-CB 4.04Å; F222-R276 HydrophobicContact CZ-CB 3.41Å; F222-R276 VanDerWaalsContact CZ-CB 3.41Å; F222-R276 HydrophobicContact CZ-CG 4.42Å; R276-Q278 PolarHBondContact O-N 3.44Å; R276-I283 HydrophobicContact CB-CG2 4.19Å; R276-I283 HydrophobicContact CG-CG2 4.36Å; R276-D316 IonicContact CZ-OD1 2.7Å; R276-D316 IonicContact CZ-OD2 3.8Å; R276-D316 IonicContact NE-OD1 2.74Å; R276-D316 IonicContact NE-OD2 3.18Å; R276-D316 PolarHBondContact NE-OD2 3.03Å; R276-D316 IonicContact NH2-OD1 2.77Å; R276-D316 PolarHBondContact NH2-OD1 3.31Å; R276-D316 IonicContact NH2-OD2 2.92Å; R276-D316 PolarHBondContact NH2-OD2 3.42Å; R276-H320 PolarHBondContact NH2-CD2 3.25Å; R276-H320 PolarHBondContact NH2-NE2 3.29Å
277	H	95.2	Very high	96.3	Very high	26 Å²	26	25 Å²	25	12%	0.12	12%	0.119	C	C	.	.			trans	-82.1	106.1	172.6	-176.6	-112.5	0	0	0	111	W275 K279 S280 G281 A282 I460 E461	W275-H277 VanDerWaalsContact CH2-CA 3.48Å; W275-H277 HydrophobicContact CH2-CB 3.56Å; W275-H277 AromaticContact CH2-CD2 3.99Å; W275-H277 HydrophobicContact CZ3-CB 3.62Å; H277-K279 PolarHBondContact O-N 3.43Å; H277-S280 PolarHBondContact ND1-N 3.09Å; H277-S280 PolarHBondContact ND1-OG 3.41Å; H277-S280 PolarHBondContact O-N 3.12Å; H277-S280 VanDerWaalsContact O-N 3.13Å; H277-G281 PolarHBondContact O-N 3.36Å; H277-A282 PolarHBondContact N-O 3.41Å; H277-I460 HydrophobicContact CB-CG2 4.05Å; H277-E461 IonicContact NE2-OE2 3.51Å
278	Q	90.4	Very high	96.4	Very high	110 Å²	110	22.3 Å²	22.3	51%	0.514	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-27.4	-171.9	-69	178.3	-16.3	0	0	115.8	R219 R276	R219-Q278 PolarHBondContact O-NE2 2.92Å; R276-Q278 PolarHBondContact O-N 3.44Å
279	K	87.5	Confident	96.4	Very high	166 Å²	166	17.4 Å²	17.4	72%	0.722	8%	0.082	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-29.5	-179	-51.5	176.1	-174.2	165.6	0	114.5	H277	H277-K279 PolarHBondContact O-N 3.43Å
280	S	90.2	Very high	96.4	Very high	14 Å²	14	17.4 Å²	17.4	10%	0.098	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-7.4	-170.2	67.5	0	0	0	0	113.9	H277 A282 R317	H277-S280 PolarHBondContact ND1-N 3.09Å; H277-S280 PolarHBondContact ND1-OG 3.41Å; H277-S280 PolarHBondContact O-N 3.12Å; H277-S280 VanDerWaalsContact O-N 3.13Å; S280-A282 PolarHBondContact O-N 3.09Å; S280-A282 VanDerWaalsContact O-N 3.16Å; S280-A282 WeakPolarHBondContact OG-CB 3.27Å; S280-A282 PolarHBondContact OG-N 2.86Å; S280-R317 PolarHBondContact O-NE 3.12Å; S280-R317 PolarHBondContact O-NH2 3.14Å
281	G	92.1	Very high	96.3	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.01	10%	0.1	C	C	.	.			trans	70.4	-3.3	-172.7	0	0	0	0	0	114	H277 I283 C313	H277-G281 PolarHBondContact O-N 3.36Å; G281-I283 PolarHBondContact O-N 3.04Å; G281-C313 WeakPolarHBondContact O-CB 3.28Å; G281-C313 PolarHBondContact O-SG 3.31Å; G281-C313 VanDerWaalsContact O-SG 3.37Å
282	A	95.5	Very high	96	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.102	C	C	.	.			trans	-67.2	125.4	-176.6	0	0	0	0	0	111.2	H277 S280	H277-A282 PolarHBondContact N-O 3.41Å; S280-A282 PolarHBondContact O-N 3.09Å; S280-A282 VanDerWaalsContact O-N 3.16Å; S280-A282 WeakPolarHBondContact OG-CB 3.27Å; S280-A282 PolarHBondContact OG-N 2.86Å
283	I	97.9	Very high	95.7	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.01	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	159.4	-179	65.3	85.1	0	0	0	113.3	F222 W228 V273 W275 R276 G281 A285 C313 P466 V467	F222-I283 HydrophobicContact CE1-CG2 4.12Å; W228-I283 HydrophobicContact CH2-CG1 4.24Å; W228-I283 HydrophobicContact CH2-CG2 3.84Å; W228-I283 HydrophobicContact CZ2-CG2 3.61Å; V273-I283 HydrophobicContact CG1-CB 3.88Å; V273-I283 HydrophobicContact CG1-CD1 4.44Å; V273-I283 HydrophobicContact CG1-CG1 4.42Å; V273-I283 HydrophobicContact CG1-CG2 4.03Å; V273-I283 HydrophobicContact CG2-CD1 4.1Å; V273-I283 HydrophobicContact CG2-CG1 4.44Å; W275-I283 CarbonylContact O-C 3.38Å; W275-I283 VanDerWaalsContact O-CA 3.31Å; W275-I283 WeakPolarHBondContact O-CA 3.45Å; R276-I283 HydrophobicContact CB-CG2 4.19Å; R276-I283 HydrophobicContact CG-CG2 4.36Å; G281-I283 PolarHBondContact O-N 3.04Å; I283-A285 HydrophobicContact CD1-CB 3.66Å; I283-C313 WeakPolarHBondContact CG1-SG 3.37Å; I283-P466 HydrophobicContact CD1-CB 4.4Å; I283-P466 HydrophobicContact CG1-CB 4.1Å; I283-P466 WeakPolarHBondContact O-CA 3.41Å; I283-V467 PolarHBondContact O-N 3.2Å
284	L	98.8	Very high	95.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	123.2	162	-179.1	59.7	0	0	0	108.4	V274 W275 V456 I460 V467 V469 V482 A485 Q486	V274-L284 HydrophobicContact CG2-CG 4.34Å; V274-L284 VanDerWaalsContact CG2-O 3.32Å; V274-L284 WeakPolarHBondContact CG2-O 3.41Å; V274-L284 PolarHBondContact N-O 3.08Å; W275-L284 HydrophobicContact CB-CB 4.2Å; W275-L284 HydrophobicContact CE3-CB 4.34Å; W275-L284 PolarHBondContact N-O 3.06Å; W275-L284 PolarHBondContact O-N 3.41Å; L284-V456 HydrophobicContact CD1-CG1 3.77Å; L284-V456 HydrophobicContact CD2-CG1 4.5Å; L284-I460 HydrophobicContact CB-CD1 3.91Å; L284-I460 HydrophobicContact CD1-CD1 4.26Å; L284-I460 HydrophobicContact CG-CD1 4.47Å; L284-V467 WeakPolarHBondContact CA-O 3.37Å; L284-V467 HydrophobicContact CD1-CB 4.06Å; L284-V467 HydrophobicContact CD1-CG1 4.15Å; L284-V469 HydrophobicContact CD1-CG2 3.73Å; L284-V482 HydrophobicContact CD2-CG1 4.02Å; L284-V482 HydrophobicContact CG-CG1 4.41Å; L284-A485 HydrophobicContact CD2-CB 4.18Å; L284-Q486 HydrophobicContact CD2-CG 3.99Å
285	A	98.8	Very high	94.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	163	175.7	0	0	0	0	0	111.6	A272 V273 I283 V467 L468 V469	A272-A285 CarbonylContact O-C 3.57Å; A272-A285 WeakPolarHBondContact O-CA 3.47Å; A272-A285 WeakPolarHBondContact O-CB 3.47Å; V273-A285 HydrophobicContact CG2-CB 4.36Å; I283-A285 HydrophobicContact CD1-CB 3.66Å; A285-V467 PolarHBondContact N-O 3.48Å; A285-L468 HydrophobicContact CB-CD1 3.59Å; A285-V469 PolarHBondContact O-N 3.21Å
286	R	98.8	Very high	94.2	Very high	1 Å²	1	37.1 Å²	37.1	0%	0.004	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	148.9	177.8	61.8	-176.3	-64.6	178.4	-7.8	112.9	Y243 P271 A272 V274 V469 G474 T478 V482 E506 F510	Y243-R286 PolarHBondContact OH-O 3.25Å; P271-R286 WeakPolarHBondContact CA-O 3.21Å; A272-R286 PolarHBondContact N-O 2.78Å; A272-R286 PolarHBondContact O-N 3.02Å; V274-R286 HydrophobicContact CG1-CG 3.97Å; R286-V469 VanDerWaalsContact CA-O 3.29Å; R286-V469 WeakPolarHBondContact CA-O 3.27Å; R286-G474 PolarHBondContact NH2-O 3.12Å; R286-T478 HydrophobicContact CB-CG2 3.79Å; R286-V482 HydrophobicContact CB-CG2 4.28Å; R286-E506 IonicContact CZ-OE2 3.69Å; R286-E506 PolarHBondContact NH1-O 2.71Å; R286-E506 IonicContact NH1-OE2 2.68Å; R286-E506 PolarHBondContact NH1-OE2 3.47Å; R286-F510 HydrophobicContact CG-CE1 4.39Å
287	C	98.8	Very high	93.9	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.007	20%	0.204	C	C	.	.			trans	-155.3	-178.6	174	54.6	0	0	0	0	112.3	R265 R269 P271 L468 V469 H470 G474	R265-C287 PolarHBondContact NH1-SG 2.86Å; R269-C287 CarbonylContact O-C 3.07Å; R269-C287 VanDerWaalsContact O-CA 3.25Å; R269-C287 WeakPolarHBondContact O-CA 3.45Å; R269-C287 VanDerWaalsContact O-CB 3.24Å; R269-C287 WeakPolarHBondContact O-CB 3.34Å; P271-C287 HydrophobicContact CB-CB 4.5Å; P271-C287 HydrophobicContact CG-CB 4.11Å; C287-L468 HydrophobicContact CB-CD1 4.42Å; C287-V469 PolarHBondContact N-O 3.19Å; C287-V469 VanDerWaalsContact N-O 3.14Å; C287-H470 WeakPolarHBondContact O-CA 3.35Å; C287-H470 WeakPolarHBondContact O-CB 3.24Å; C287-G474 VanDerWaalsContact O-CA 3.26Å; C287-G474 WeakPolarHBondContact O-CA 3.28Å
288	S	98.7	Very high	93.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	22%	0.219	C	C	.	.			trans	-89.1	174.7	156.4	55.7	0	0	0	0	112.1	R265 G266 R269 S472	R265-S288 WeakPolarHBondContact CD-O 3.46Å; R265-S288 PolarHBondContact NH1-O 2.86Å; G266-S288 PolarHBondContact N-OG 2.92Å; G266-S288 WeakPolarHBondContact O-CB 3.4Å; G266-S288 PolarHBondContact O-OG 2.92Å; R269-S288 PolarHBondContact O-N 3.46Å; R269-S288 PolarHBondContact O-OG 3.32Å; S288-S472 WeakPolarHBondContact CA-O 3.48Å; S288-S472 VanDerWaalsContact CB-O 3.26Å; S288-S472 WeakPolarHBondContact CB-O 3.23Å
289	Q	98.3	Very high	94.2	Very high	12 Å²	12	45.3 Å²	45.3	6%	0.056	20%	0.202	C	C	.	.			trans	-57.9	150.6	171.4	67.5	-173.5	-32.7	0	0	113	G266 N384 G390 C471 S472	G266-Q289 PolarHBondContact N-O 3.49Å; Q289-N384 PolarHBondContact NE2-OD1 3.48Å; Q289-N384 VanDerWaalsContact NE2-OD1 3.14Å; Q289-G390 WeakPolarHBondContact CB-O 3.41Å; Q289-G390 PolarHBondContact OE1-O 3.43Å; Q289-C471 WeakPolarHBondContact CB-O 3.26Å; Q289-C471 PolarHBondContact N-O 3.38Å; Q289-S472 WeakPolarHBondContact CG-O 3.28Å; Q289-S472 PolarHBondContact N-O 3.11Å
290	P	97.8	Very high	94.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-74	145.4	166.2	33.4	-35.1	0	0	0	111.3	F264 V292 G389 G390 E392	F264-P290 HydrophobicContact CD1-CB 4.18Å; F264-P290 HydrophobicContact CE1-CB 3.49Å; F264-P290 VanDerWaalsContact CE1-CB 3.49Å; F264-P290 HydrophobicContact CZ-CB 3.81Å; F264-P290 CarbonylContact O-C 3.58Å; F264-P290 WeakPolarHBondContact O-CA 3.38Å; P290-V292 HydrophobicContact CB-CG2 3.97Å; P290-V292 HydrophobicContact CG-CG2 3.9Å; P290-V292 PolarHBondContact O-N 3.01Å; P290-G389 CarbonylContact O-C 3.22Å; P290-G390 PolarHBondContact O-N 3.39Å; P290-E392 WeakPolarHBondContact CD-OE2 3.43Å; P290-E392 HydrophobicContact CG-CG 4.2Å
291	E	96	Very high	95	Very high	85 Å²	85	45.2 Å²	45.2	40%	0.397	20%	0.204	S	C	.	.			trans	-85.9	59.5	178.7	-64.7	-173.2	177.7	0	0	111.2	F264 G266 G388	F264-E291 HydrophobicContact CD2-CB 4.43Å; F264-E291 WeakPolarHBondContact CE2-O 3.44Å; F264-E291 PolarHBondContact O-N 3.34Å; G266-E291 WeakPolarHBondContact CA-OE1 3.32Å; E291-G388 CarbonylContact C-O 3.58Å; E291-G388 WeakPolarHBondContact CA-O 3.28Å
292	V	93.3	Very high	95.3	Very high	8 Å²	8	45.2 Å²	45.2	5%	0.048	20%	0.203	C	C	.	.			trans	-69.7	-37.7	-179.5	174.8	0	0	0	0	111.4	F264 P290 G296 W297 G389	F264-V292 HydrophobicContact CE2-CG2 4.48Å; F264-V292 HydrophobicContact CZ-CG2 3.93Å; P290-V292 HydrophobicContact CB-CG2 3.97Å; P290-V292 HydrophobicContact CG-CG2 3.9Å; P290-V292 PolarHBondContact O-N 3.01Å; V292-G296 CarbonylContact O-C 3.55Å; V292-G296 PolarHBondContact O-N 3.31Å; V292-W297 WeakPolarHBondContact O-CB 3.47Å; V292-W297 PolarHBondContact O-N 3.23Å; V292-G389 PolarHBondContact N-O 2.98Å
293	G	90.4	Very high	95.4	Very high	4 Å²	4	46.4 Å²	46.4	4%	0.041	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	-178.3	-179.3	0	0	0	0	0	115	L295 G296 R385 G388 G389	G293-L295 VanDerWaalsContact C-N 3.29Å; G293-L295 PolarHBondContact O-N 3.27Å; G293-G296 PolarHBondContact O-N 3.08Å; G293-R385 CarbonylContact C-O 3.57Å; G293-R385 VanDerWaalsContact CA-O 3.23Å; G293-R385 WeakPolarHBondContact CA-O 3.5Å; G293-R385 WeakPolarHBondContact O-CG 3.32Å; G293-R385 PolarHBondContact O-NE 2.96Å; G293-G388 WeakPolarHBondContact CA-O 3.22Å; G293-G388 PolarHBondContact N-O 2.86Å; G293-G388 VanDerWaalsContact N-O 3.07Å; G293-G389 PolarHBondContact N-O 3.35Å
294	W	87.3	Confident	95.4	Very high	201 Å²	201	50.3 Å²	50.3	76%	0.761	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-43.4	177.7	-174.1	-100.6	0	0	0	112	G296 R385 A386	W294-G296 PolarHBondContact O-N 3.34Å; W294-R385 PolarHBondContact N-O 2.91Å; W294-R385 VanDerWaalsContact N-O 3.08Å; W294-A386 HydrophobicContact CE3-CB 4.29Å
295	L	87.9	Confident	95.4	Very high	128 Å²	128	50.4 Å²	50.4	67%	0.67	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-9.7	-175.8	-63.4	175.3	0	0	0	114.7	G293 W297	G293-L295 VanDerWaalsContact C-N 3.29Å; G293-L295 PolarHBondContact O-N 3.27Å; L295-W297 HydrophobicContact CB-CD2 4.41Å; L295-W297 HydrophobicContact CB-CZ2 4.33Å; L295-W297 HydrophobicContact CD1-CH2 4.33Å; L295-W297 HydrophobicContact CD1-CZ2 3.49Å; L295-W297 VanDerWaalsContact CD1-CZ2 3.49Å
296	G	87.9	Confident	95.3	Very high	19 Å²	19	50.4 Å²	50.4	20%	0.196	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	37.8	179.2	0	0	0	0	0	113.4	V292 G293 W294	V292-G296 CarbonylContact O-C 3.55Å; V292-G296 PolarHBondContact O-N 3.31Å; G293-G296 PolarHBondContact O-N 3.08Å; W294-G296 PolarHBondContact O-N 3.34Å
297	W	90.7	Very high	95.2	Very high	164 Å²	164	54.5 Å²	54.5	62%	0.621	25%	0.245	S	C	*	.			trans	-55.7	149.9	175	-62.9	126.6	0	0	0	111.9	F264 V292 L295	F264-W297 HydrophobicContact CE2-CB 4.48Å; V292-W297 WeakPolarHBondContact O-CB 3.47Å; V292-W297 PolarHBondContact O-N 3.23Å; L295-W297 HydrophobicContact CB-CD2 4.41Å; L295-W297 HydrophobicContact CB-CZ2 4.33Å; L295-W297 HydrophobicContact CD1-CH2 4.33Å; L295-W297 HydrophobicContact CD1-CZ2 3.49Å; L295-W297 VanDerWaalsContact CD1-CZ2 3.49Å
298	R	94.9	Very high	95.1	Very high	118 Å²	118	54.9 Å²	54.9	45%	0.445	25%	0.248	S	C	.	.			trans	-133.5	152	-174.3	-63.3	-177	62.7	172.7	-6.2	110.1	E303 Y396	R298-E303 IonicContact CZ-OE1 3.86Å; R298-E303 VanDerWaalsContact CZ-OE1 3.28Å; R298-E303 IonicContact CZ-OE2 2.74Å; R298-E303 IonicContact NE-OE1 2.83Å; R298-E303 PolarHBondContact NE-OE1 3.16Å; R298-E303 IonicContact NH2-OE1 2.99Å; R298-E303 PolarHBondContact NH2-OE1 3.43Å; R298-E303 IonicContact NH2-OE2 2.73Å; R298-E303 PolarHBondContact NH2-OE2 2.91Å; R298-Y396 HydrophobicContact CG-CD2 3.68Å; R298-Y396 HydrophobicContact CG-CE2 3.64Å; R298-Y396 VanDerWaalsContact NH1-CE1 3.27Å
299	N	97	Very high	95	Very high	27 Å²	27	55 Å²	55	14%	0.144	25%	0.249	C	C	.	.			trans	-133.2	106.2	170.9	-170.3	-46.7	0	0	0	109.5	N260 F264 R301 D302 E303	N260-N299 PolarHBondContact O-ND2 2.84Å; F264-N299 HydrophobicContact CB-CB 3.79Å; F264-N299 VanDerWaalsContact CB-ND2 3.27Å; F264-N299 WeakPolarHBondContact CB-ND2 3.46Å; F264-N299 HydrophobicContact CD1-CB 3.36Å; F264-N299 HydrophobicContact CD2-CB 3.84Å; F264-N299 HydrophobicContact CE1-CB 3.8Å; F264-N299 HydrophobicContact CE2-CB 4.23Å; F264-N299 HydrophobicContact CG-CB 3.37Å; F264-N299 HydrophobicContact CZ-CB 4.2Å; N299-R301 PolarHBondContact O-N 2.83Å; N299-R301 VanDerWaalsContact O-N 3.11Å; N299-R301 WeakPolarHBondContact OD1-CA 3.43Å; N299-R301 VanDerWaalsContact OD1-CB 3.23Å; N299-R301 WeakPolarHBondContact OD1-CB 3.37Å; N299-R301 PolarHBondContact OD1-N 3.3Å; N299-D302 HydrophobicContact CB-CB 4.14Å; N299-D302 PolarHBondContact O-N 2.96Å; N299-D302 PolarHBondContact OD1-N 2.9Å; N299-E303 WeakPolarHBondContact O-CG 3.43Å; N299-E303 PolarHBondContact O-N 3.28Å; N299-E303 VanDerWaalsContact O-N 3.08Å
300	T	97.1	Very high	94.8	Very high	79 Å²	79	54.5 Å²	54.5	49%	0.485	25%	0.247	S	C	.	.	H	α-helix	trans	-63.7	-16.8	-179.3	54	0	0	0	0	113	Q304	T300-Q304 VanDerWaalsContact O-CB 3.23Å; T300-Q304 WeakPolarHBondContact O-CB 3.47Å; T300-Q304 WeakPolarHBondContact O-CG 3.49Å; T300-Q304 PolarHBondContact O-N 3.27Å
301	R	97.9	Very high	94.5	Very high	100 Å²	100	57 Å²	57	38%	0.377	26%	0.26	S	S	.	.	H	α-helix	trans	-80.5	-31	172.7	-53.7	-48.9	-165.9	171.2	5.9	112.5	M257 N260 V261 N299 Q304 L305	M257-R301 HydrophobicContact CE-CB 4.21Å; M257-R301 WeakPolarHBondContact CE-O 3.37Å; M257-R301 HydrophobicContact CG-CB 3.89Å; M257-R301 HydrophobicContact CG-CG 4.23Å; N260-R301 HydrophobicContact CB-CB 4.13Å; N260-R301 HydrophobicContact CB-CG 3.82Å; V261-R301 HydrophobicContact CG2-CB 3.87Å; V261-R301 WeakPolarHBondContact CG2-O 3.34Å; N299-R301 PolarHBondContact O-N 2.83Å; N299-R301 VanDerWaalsContact O-N 3.11Å; N299-R301 WeakPolarHBondContact OD1-CA 3.43Å; N299-R301 VanDerWaalsContact OD1-CB 3.23Å; N299-R301 WeakPolarHBondContact OD1-CB 3.37Å; N299-R301 PolarHBondContact OD1-N 3.3Å; R301-Q304 VanDerWaalsContact CD-OE1 3.29Å; R301-L305 VanDerWaalsContact O-CB 3.3Å; R301-L305 WeakPolarHBondContact O-CB 3.31Å; R301-L305 PolarHBondContact O-N 3.48Å
302	D	98.2	Very high	94.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-71.8	-45	171.9	-165.9	99.9	0	0	0	110.1	V261 F264 R265 N299 Q304 L305 L306 Y397	V261-D302 HydrophobicContact CG1-CB 4.41Å; V261-D302 WeakPolarHBondContact CG1-OD1 3.42Å; V261-D302 HydrophobicContact CG2-CB 4.39Å; F264-D302 HydrophobicContact CD1-CB 3.92Å; F264-D302 HydrophobicContact CE1-CB 4.21Å; R265-D302 IonicContact CZ-OD1 3.28Å; R265-D302 IonicContact CZ-OD2 2.69Å; R265-D302 IonicContact NE-OD1 2.9Å; R265-D302 PolarHBondContact NE-OD1 3.2Å; R265-D302 IonicContact NE-OD2 2.83Å; R265-D302 IonicContact NH2-OD1 2.82Å; R265-D302 PolarHBondContact NH2-OD1 3.29Å; R265-D302 IonicContact NH2-OD2 3.85Å; R265-D302 PolarHBondContact NH2-OD2 2.96Å; N299-D302 HydrophobicContact CB-CB 4.14Å; N299-D302 PolarHBondContact O-N 2.96Å; N299-D302 PolarHBondContact OD1-N 2.9Å; D302-Q304 VanDerWaalsContact C-N 3.32Å; D302-Q304 PolarHBondContact O-N 3.11Å; D302-L305 PolarHBondContact O-N 2.76Å; D302-L305 VanDerWaalsContact O-N 3.1Å; D302-L306 PolarHBondContact O-N 3.17Å; D302-Y397 WeakPolarHBondContact OD2-CE1 3.29Å; D302-Y397 PolarHBondContact OD2-OH 2.89Å
303	E	97.8	Very high	94.3	Very high	25 Å²	25	53.2 Å²	53.2	12%	0.117	24%	0.244	C	C	.	.	H	α-helix	trans	-54.1	-45.5	171.5	-63.6	168.6	-169.4	0	0	111.7	R298 N299 K307 Y397	R298-E303 IonicContact CZ-OE1 3.86Å; R298-E303 VanDerWaalsContact CZ-OE1 3.28Å; R298-E303 IonicContact CZ-OE2 2.74Å; R298-E303 IonicContact NE-OE1 2.83Å; R298-E303 PolarHBondContact NE-OE1 3.16Å; R298-E303 IonicContact NH2-OE1 2.99Å; R298-E303 PolarHBondContact NH2-OE1 3.43Å; R298-E303 IonicContact NH2-OE2 2.73Å; R298-E303 PolarHBondContact NH2-OE2 2.91Å; N299-E303 WeakPolarHBondContact O-CG 3.43Å; N299-E303 PolarHBondContact O-N 3.28Å; N299-E303 VanDerWaalsContact O-N 3.08Å; E303-K307 PolarHBondContact O-N 3Å; E303-K307 VanDerWaalsContact O-N 3.16Å; E303-Y397 HydrophobicContact CB-CD1 4.43Å; E303-Y397 HydrophobicContact CB-CE1 4.16Å; E303-Y397 HydrophobicContact CG-CD1 4.12Å; E303-Y397 HydrophobicContact CG-CE1 3.66Å; E303-Y397 HydrophobicContact CG-CE2 4.16Å
304	Q	97.8	Very high	94.1	Very high	85 Å²	85	54.6 Å²	54.6	40%	0.397	26%	0.255	S	S	.	.	H	α-helix	trans	-69.9	-35.3	175.4	-75.8	164.1	5	0	0	113.4	M257 T300 R301 D302 K307 A308	M257-Q304 HydrophobicContact CE-CB 3.36Å; T300-Q304 VanDerWaalsContact O-CB 3.23Å; T300-Q304 WeakPolarHBondContact O-CB 3.47Å; T300-Q304 WeakPolarHBondContact O-CG 3.49Å; T300-Q304 PolarHBondContact O-N 3.27Å; R301-Q304 VanDerWaalsContact CD-OE1 3.29Å; D302-Q304 VanDerWaalsContact C-N 3.32Å; D302-Q304 PolarHBondContact O-N 3.11Å; Q304-K307 PolarHBondContact O-N 2.78Å; Q304-A308 WeakPolarHBondContact O-CB 3.4Å; Q304-A308 PolarHBondContact O-N 3.12Å
305	L	98	Very high	93.8	Very high	1 Å²	1	50 Å²	50	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-65.3	-45.2	176.3	174.5	60.7	0	0	0	111.3	I253 M257 V261 P271 R301 D302 K307 A308 L309	I253-L305 HydrophobicContact CD1-CB 4.4Å; I253-L305 HydrophobicContact CD1-CD1 3.94Å; I253-L305 HydrophobicContact CG1-CD1 3.81Å; I253-L305 HydrophobicContact CG2-CD1 4.22Å; M257-L305 HydrophobicContact CE-CB 4.42Å; V261-L305 HydrophobicContact CB-CD2 4.46Å; V261-L305 HydrophobicContact CG1-CD2 3.85Å; V261-L305 HydrophobicContact CG2-CB 4.34Å; V261-L305 HydrophobicContact CG2-CD2 4.13Å; P271-L305 HydrophobicContact CB-CD2 3.95Å; P271-L305 HydrophobicContact CG-CD2 3.99Å; R301-L305 VanDerWaalsContact O-CB 3.3Å; R301-L305 WeakPolarHBondContact O-CB 3.31Å; R301-L305 PolarHBondContact O-N 3.48Å; D302-L305 PolarHBondContact O-N 2.76Å; D302-L305 VanDerWaalsContact O-N 3.1Å; L305-K307 VanDerWaalsContact C-N 3.33Å; L305-K307 PolarHBondContact O-N 3.14Å; L305-A308 PolarHBondContact O-N 3.33Å; L305-L309 HydrophobicContact CD1-CD1 4.42Å; L305-L309 HydrophobicContact CD1-CG 4.33Å; L305-L309 HydrophobicContact CG-CD1 4.27Å; L305-L309 WeakPolarHBondContact O-CG 3.27Å; L305-L309 PolarHBondContact O-N 2.92Å
306	L	97.5	Very high	93.4	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-63.3	-39.5	176.1	-92.1	61.3	0	0	0	111.3	P271 D302 L309 A310 I370 I372 Y397 L468	P271-L306 HydrophobicContact CB-CD1 4.38Å; P271-L306 HydrophobicContact CG-CD1 3.79Å; D302-L306 PolarHBondContact O-N 3.17Å; L306-L309 PolarHBondContact O-N 3.19Å; L306-A310 PolarHBondContact O-N 3.32Å; L306-I370 HydrophobicContact CB-CD1 4.26Å; L306-I370 HydrophobicContact CG-CD1 4.3Å; L306-I370 WeakPolarHBondContact O-CD1 3.48Å; L306-I372 HydrophobicContact CD2-CD1 3.84Å; L306-Y397 HydrophobicContact CB-CD1 4.33Å; L306-Y397 HydrophobicContact CD2-CD1 3.6Å; L306-Y397 HydrophobicContact CD2-CE1 3.91Å; L306-L468 HydrophobicContact CD1-CD2 4.05Å; L306-L468 HydrophobicContact CD2-CD2 3.99Å; L306-L468 HydrophobicContact CG-CD2 4.11Å
307	K	96.1	Very high	92.5	Very high	87 Å²	87	45.6 Å²	45.6	38%	0.378	21%	0.21	S	C	.	.	H	α-helix	trans	-60.9	-48	172.3	-177.4	59.1	169.3	71.9	0	112	E303 Q304 L305 L309 A310 D311 C399	E303-K307 PolarHBondContact O-N 3Å; E303-K307 VanDerWaalsContact O-N 3.16Å; Q304-K307 PolarHBondContact O-N 2.78Å; L305-K307 VanDerWaalsContact C-N 3.33Å; L305-K307 PolarHBondContact O-N 3.14Å; K307-L309 VanDerWaalsContact C-N 3.3Å; K307-L309 PolarHBondContact O-N 3.12Å; K307-A310 WeakPolarHBondContact O-CB 3.41Å; K307-A310 PolarHBondContact O-N 3Å; K307-A310 VanDerWaalsContact O-N 3.17Å; K307-D311 IonicContact NZ-OD1 3.23Å; K307-D311 PolarHBondContact NZ-OD1 3.07Å; K307-D311 IonicContact NZ-OD2 2.66Å; K307-D311 PolarHBondContact NZ-OD2 3.43Å; K307-D311 PolarHBondContact O-N 2.81Å; K307-C399 HydrophobicContact CD-CB 3.79Å
308	A	96.8	Very high	90.9	Very high	9 Å²	9	38.9 Å²	38.9	7%	0.074	19%	0.191	C	C	.	.	H	α-helix	trans	-64.4	-31.7	179.6	0	0	0	0	0	113.4	P250 I253 Q304 L305 D311 A312	P250-A308 HydrophobicContact CB-CB 4.12Å; P250-A308 HydrophobicContact CG-CB 4.04Å; I253-A308 HydrophobicContact CD1-CB 3.69Å; I253-A308 HydrophobicContact CG1-CB 3.97Å; Q304-A308 WeakPolarHBondContact O-CB 3.4Å; Q304-A308 PolarHBondContact O-N 3.12Å; L305-A308 PolarHBondContact O-N 3.33Å; A308-D311 PolarHBondContact O-N 3.26Å; A308-A312 VanDerWaalsContact O-CB 3.3Å; A308-A312 WeakPolarHBondContact O-CB 3.49Å; A308-A312 PolarHBondContact O-N 3.28Å
309	L	96.8	Very high	89.1	Confident	2 Å²	2	36.4 Å²	36.4	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-64.5	-41.8	173	-77.4	168.9	0	0	0	111.7	W228 P250 P271 V273 L305 L306 K307 C313 I370	W228-L309 HydrophobicContact CH2-CD2 4.05Å; W228-L309 HydrophobicContact CZ3-CD2 3.84Å; P250-L309 HydrophobicContact CG-CD2 3.85Å; P250-L309 HydrophobicContact CG-CG 4.12Å; P271-L309 HydrophobicContact CB-CD1 4.13Å; V273-L309 HydrophobicContact CG2-CD2 3.44Å; V273-L309 VanDerWaalsContact CG2-CD2 3.44Å; L305-L309 HydrophobicContact CD1-CD1 4.42Å; L305-L309 HydrophobicContact CD1-CG 4.33Å; L305-L309 HydrophobicContact CG-CD1 4.27Å; L305-L309 WeakPolarHBondContact O-CG 3.27Å; L305-L309 PolarHBondContact O-N 2.92Å; L306-L309 PolarHBondContact O-N 3.19Å; K307-L309 VanDerWaalsContact C-N 3.3Å; K307-L309 PolarHBondContact O-N 3.12Å; L309-C313 PolarHBondContact O-N 2.86Å; L309-C313 PolarHBondContact O-SG 2.91Å; L309-I370 HydrophobicContact CB-CD1 3.81Å
310	A	93.9	Very high	87.2	Confident	2 Å²	2	38.8 Å²	38.8	2%	0.017	20%	0.195	C	C	.	.	H	α-helix	trans	-65.6	-43.5	174.2	0	0	0	0	0	111.9	L306 K307 C313 A314 I367 I370	L306-A310 PolarHBondContact O-N 3.32Å; K307-A310 WeakPolarHBondContact O-CB 3.41Å; K307-A310 PolarHBondContact O-N 3Å; K307-A310 VanDerWaalsContact O-N 3.17Å; A310-C313 WeakPolarHBondContact O-CB 3.46Å; A310-C313 PolarHBondContact O-N 3.24Å; A310-A314 PolarHBondContact O-N 3.31Å; A310-I367 HydrophobicContact CB-CG2 4.17Å; A310-I370 HydrophobicContact CB-CD1 4.48Å; A310-I370 HydrophobicContact CB-CG1 4.24Å
311	D	92.4	Very high	85.2	Confident	52 Å²	52	37.7 Å²	37.7	28%	0.278	19%	0.194	S	C	.	.	H	α-helix	trans	-66.9	-40.9	-178.2	-63.9	-18.4	0	0	0	112.3	K307 A308 C313 A314 F315	K307-D311 IonicContact NZ-OD1 3.23Å; K307-D311 PolarHBondContact NZ-OD1 3.07Å; K307-D311 IonicContact NZ-OD2 2.66Å; K307-D311 PolarHBondContact NZ-OD2 3.43Å; K307-D311 PolarHBondContact O-N 2.81Å; A308-D311 PolarHBondContact O-N 3.26Å; D311-C313 VanDerWaalsContact C-N 3.32Å; D311-C313 PolarHBondContact O-N 2.91Å; D311-A314 PolarHBondContact O-N 3.45Å; D311-A314 VanDerWaalsContact O-N 3.15Å; D311-F315 PolarHBondContact O-N 2.88Å
312	A	92.6	Very high	83	Confident	9 Å²	9	38.3 Å²	38.3	7%	0.074	20%	0.196	C	C	.	.	H	α-helix	trans	-60	-41.6	174.5	0	0	0	0	0	111.7	W228 P250 A308 A314 F315 D316	W228-A312 HydrophobicContact CH2-CB 3.78Å; W228-A312 HydrophobicContact CZ2-CB 3.68Å; W228-A312 HydrophobicContact CZ3-CB 4.27Å; P250-A312 HydrophobicContact CB-CB 4.08Å; P250-A312 HydrophobicContact CG-CB 4.21Å; A308-A312 VanDerWaalsContact O-CB 3.3Å; A308-A312 WeakPolarHBondContact O-CB 3.49Å; A308-A312 PolarHBondContact O-N 3.28Å; A312-A314 VanDerWaalsContact C-N 3.26Å; A312-A314 PolarHBondContact O-N 3.48Å; A312-F315 PolarHBondContact O-N 3.45Å; A312-D316 WeakPolarHBondContact O-CB 3.46Å; A312-D316 PolarHBondContact O-N 2.87Å
313	C	91.6	Very high	80.9	Confident	6 Å²	6	44.1 Å²	44.1	4%	0.041	22%	0.223	C	C	.	.	H	α-helix	trans	-62.4	-32.7	176.2	-63.7	0	0	0	0	113	G281 I283 L309 A310 D311	G281-C313 WeakPolarHBondContact O-CB 3.28Å; G281-C313 PolarHBondContact O-SG 3.31Å; G281-C313 VanDerWaalsContact O-SG 3.37Å; I283-C313 WeakPolarHBondContact CG1-SG 3.37Å; L309-C313 PolarHBondContact O-N 2.86Å; L309-C313 PolarHBondContact O-SG 2.91Å; A310-C313 WeakPolarHBondContact O-CB 3.46Å; A310-C313 PolarHBondContact O-N 3.24Å; D311-C313 VanDerWaalsContact C-N 3.32Å; D311-C313 PolarHBondContact O-N 2.91Å
314	A	85.4	Confident	78.6	Confident	33 Å²	33	46.6 Å²	46.6	27%	0.273	24%	0.243	S	C	.	.	H	α-helix	trans	-75.6	-42.7	177.5	0	0	0	0	0	111.9	A310 D311 A312 I367	A310-A314 PolarHBondContact O-N 3.31Å; D311-A314 PolarHBondContact O-N 3.45Å; D311-A314 VanDerWaalsContact O-N 3.15Å; A312-A314 VanDerWaalsContact C-N 3.26Å; A312-A314 PolarHBondContact O-N 3.48Å; A314-I367 HydrophobicContact CB-CG1 4.28Å
315	F	82.5	Confident	76.2	Confident	105 Å²	105	47.2 Å²	47.2	46%	0.461	25%	0.253	S	S	.	.	H	α-helix	trans	-67.7	-47.9	179.5	-169.5	-82.6	0	0	0	112.3	D311 A312 R317 G318	D311-F315 PolarHBondContact O-N 2.88Å; A312-F315 PolarHBondContact O-N 3.45Å; F315-R317 PolarHBondContact O-N 2.86Å; F315-G318 WeakPolarHBondContact O-CA 3.33Å; F315-G318 PolarHBondContact O-N 2.95Å
316	D	78.2	Confident	73.6	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-59.8	-31.1	-177.4	-172.4	7.9	0	0	0	112.7	W228 R276 A312 G318	W228-D316 PolarHBondContact NE1-OD2 3Å; R276-D316 IonicContact CZ-OD1 2.7Å; R276-D316 IonicContact CZ-OD2 3.8Å; R276-D316 IonicContact NE-OD1 2.74Å; R276-D316 IonicContact NE-OD2 3.18Å; R276-D316 PolarHBondContact NE-OD2 3.03Å; R276-D316 IonicContact NH2-OD1 2.77Å; R276-D316 PolarHBondContact NH2-OD1 3.31Å; R276-D316 IonicContact NH2-OD2 2.92Å; R276-D316 PolarHBondContact NH2-OD2 3.42Å; A312-D316 WeakPolarHBondContact O-CB 3.46Å; A312-D316 PolarHBondContact O-N 2.87Å; D316-G318 VanDerWaalsContact C-N 3.34Å; D316-G318 PolarHBondContact O-N 3.13Å
317	R	69.8	Low	71.1	Confident	54 Å²	54	53.4 Å²	53.4	20%	0.204	30%	0.299	C	S	.	.	H	α-helix	trans	-60.3	-41.1	170.2	-178.8	-175.2	-62	-179.6	5.4	112.4	S280 F315 A321 D365 G464	S280-R317 PolarHBondContact O-NE 3.12Å; S280-R317 PolarHBondContact O-NH2 3.14Å; F315-R317 PolarHBondContact O-N 2.86Å; R317-A321 PolarHBondContact O-N 3.4Å; R317-D365 IonicContact NH1-OD2 3.56Å; R317-D365 PolarHBondContact NH1-OD2 2.81Å; R317-G464 PolarHBondContact NH2-O 2.72Å
318	G	56.7	Low	68.5	Low	23 Å²	23	55.9 Å²	55.9	24%	0.237	32%	0.317	C	S	.	.	H	α-helix	trans	-66.5	-37.4	-174.9	0	0	0	0	0	113.4	F315 D316 A321 R322	F315-G318 WeakPolarHBondContact O-CA 3.33Å; F315-G318 PolarHBondContact O-N 2.95Å; D316-G318 VanDerWaalsContact C-N 3.34Å; D316-G318 PolarHBondContact O-N 3.13Å; G318-A321 PolarHBondContact O-N 3.35Å; G318-R322 VanDerWaalsContact O-CG 3.28Å; G318-R322 WeakPolarHBondContact O-CG 3.18Å; G318-R322 PolarHBondContact O-N 2.62Å
319	E	57.6	Low	66	Low	65 Å²	65	59.4 Å²	59.4	30%	0.304	35%	0.346	S	S	.	.	H	α-helix	trans	-64.3	-44.7	179.7	-158.7	92.7	168	0	0	111.3	A321 R322 H323	E319-A321 PolarHBondContact O-N 2.95Å; E319-R322 PolarHBondContact O-N 3.5Å; E319-R322 IonicContact OE2-NH1 3.24Å; E319-H323 PolarHBondContact O-CD2 3.39Å; E319-H323 PolarHBondContact O-N 3.1Å
320	H	56.1	Low	63.4	Low	78 Å²	78	68.5 Å²	68.5	36%	0.361	39%	0.385	S	S	.	.	H	α-helix	trans	-64.9	-37.7	176.1	-82.3	-80.4	0	0	0	113.2	R276 H323 S324	R276-H320 PolarHBondContact NH2-CD2 3.25Å; R276-H320 PolarHBondContact NH2-NE2 3.29Å; H320-H323 PolarHBondContact O-N 3.34Å; H320-S324 WeakPolarHBondContact O-CB 3.27Å; H320-S324 PolarHBondContact O-N 2.9Å; H320-S324 PolarHBondContact O-OG 3.37Å
321	A	54.8	Low	60.9	Low	56 Å²	56	72.4 Å²	72.4	46%	0.463	42%	0.418	S	S	.	.	H	α-helix	trans	-64.5	-42.7	175.5	0	0	0	0	0	111.7	R317 G318 E319 S324 T325	R317-A321 PolarHBondContact O-N 3.4Å; G318-A321 PolarHBondContact O-N 3.35Å; E319-A321 PolarHBondContact O-N 2.95Å; A321-S324 PolarHBondContact O-N 3.17Å; A321-T325 PolarHBondContact O-N 3.25Å; A321-T325 VanDerWaalsContact O-N 3.07Å; A321-T325 PolarHBondContact O-OG1 3.12Å
322	R	52.8	Low	58.1	Low	113 Å²	113	77.8 Å²	77.8	43%	0.426	44%	0.441	S	S	.	.	H	α-helix	trans	-62.8	-45.2	174.5	-70.7	165.9	-179.1	153.1	0.8	112.4	G318 E319 T325 C326	G318-R322 VanDerWaalsContact O-CG 3.28Å; G318-R322 WeakPolarHBondContact O-CG 3.18Å; G318-R322 PolarHBondContact O-N 2.62Å; E319-R322 PolarHBondContact O-N 3.5Å; E319-R322 IonicContact OE2-NH1 3.24Å; R322-T325 WeakPolarHBondContact CA-OG1 3.38Å; R322-T325 PolarHBondContact O-N 2.88Å; R322-T325 PolarHBondContact O-OG1 2.94Å; R322-T325 VanDerWaalsContact O-OG1 3.04Å; R322-C326 PolarHBondContact O-N 3.41Å; R322-C326 PolarHBondContact O-SG 3.04Å
323	H	53.3	Low	55.6	Low	121 Å²	121	83.3 Å²	83.3	56%	0.56	48%	0.476	S	S	*	.	H	α-helix	trans	-66.2	-37	177.4	-86.8	-64.7	0	0	0	113.1	E319 H320 A327	E319-H323 PolarHBondContact O-CD2 3.39Å; E319-H323 PolarHBondContact O-N 3.1Å; H320-H323 PolarHBondContact O-N 3.34Å; H323-A327 WeakPolarHBondContact O-CB 3.47Å; H323-A327 PolarHBondContact O-N 3.37Å
324	S	50.8	Low	53	Low	78 Å²	78	88.8 Å²	88.8	55%	0.545	51%	0.51	S	S	.	.	H	α-helix	trans	-67.9	-38.1	177.6	-56.3	0	0	0	0	112.3	H320 A321	H320-S324 WeakPolarHBondContact O-CB 3.27Å; H320-S324 PolarHBondContact O-N 2.9Å; H320-S324 PolarHBondContact O-OG 3.37Å; A321-S324 PolarHBondContact O-N 3.17Å
325	T	47.4	Very low	50.7	Low	97 Å²	97	97.3 Å²	97.3	60%	0.595	54%	0.541	S	S	*	.	H	α-helix	trans	-74.7	-42.2	179.9	42.2	0	0	0	0	112.5	A321 R322 A327 N328 A329	A321-T325 PolarHBondContact O-N 3.25Å; A321-T325 VanDerWaalsContact O-N 3.07Å; A321-T325 PolarHBondContact O-OG1 3.12Å; R322-T325 WeakPolarHBondContact CA-OG1 3.38Å; R322-T325 PolarHBondContact O-N 2.88Å; R322-T325 PolarHBondContact O-OG1 2.94Å; R322-T325 VanDerWaalsContact O-OG1 3.04Å; T325-A327 VanDerWaalsContact C-N 3.3Å; T325-A327 PolarHBondContact O-N 3.44Å; T325-N328 PolarHBondContact O-N 2.82Å; T325-A329 PolarHBondContact O-N 3.47Å
326	C	43.7	Very low	48.4	Very low	68 Å²	68	96 Å²	96	46%	0.459	56%	0.556	S	S	.	*	H	α-helix	trans	-74.3	-17.5	178	74.1	0	0	0	0	114	R322	R322-C326 PolarHBondContact O-N 3.41Å; R322-C326 PolarHBondContact O-SG 3.04Å
327	A	43.1	Very low	46.2	Very low	63 Å²	63	101.8 Å²	101.8	52%	0.521	60%	0.597	S	S	.	*	H	α-helix	trans	-66.7	-46.6	169.6	0	0	0	0	0	112	H323 T325 A329 K330	H323-A327 WeakPolarHBondContact O-CB 3.47Å; H323-A327 PolarHBondContact O-N 3.37Å; T325-A327 VanDerWaalsContact C-N 3.3Å; T325-A327 PolarHBondContact O-N 3.44Å; A327-A329 PolarHBondContact O-N 3.28Å; A327-K330 PolarHBondContact O-N 2.79Å
328	N	41.9	Very low	44.7	Very low	139 Å²	139	107 Å²	107	74%	0.743	62%	0.621	S	S	*	*	H	α-helix	trans	-65.5	-24.1	176.5	-82.6	-7.1	0	0	0	113.2	T325 K330	T325-N328 PolarHBondContact O-N 2.82Å; N328-K330 PolarHBondContact O-N 2.99Å
329	A	45.5	Very low	43.7	Very low	84 Å²	84	112.5 Å²	112.5	69%	0.694	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	-4	178.8	0	0	0	0	0	115	T325 A327	T325-A329 PolarHBondContact O-N 3.47Å; A327-A329 PolarHBondContact O-N 3.28Å
330	K	40.8	Very low	42.6	Very low	192 Å²	192	114.6 Å²	114.6	84%	0.835	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.1	11.8	-178	-74	-172.5	174.3	179.5	0	115.3	A327 N328	A327-K330 PolarHBondContact O-N 2.79Å; N328-K330 PolarHBondContact O-N 2.99Å
331	A	43.1	Very low	41.6	Very low	84 Å²	84	118.5 Å²	118.5	69%	0.694	68%	0.681	S	S	*	*			trans	-111.9	43	-171	0	0	0	0	0	115.3
332	Q	32.5	Very low	40.4	Very low	165 Å²	165	119 Å²	119	77%	0.771	69%	0.693	S	S	*	*			trans	-150.8	113.3	169.1	-134.3	179.8	22.2	0	0	114.4
333	P	41.1	Very low	39.5	Very low	125 Å²	125	122.9 Å²	122.9	81%	0.812	72%	0.716	S	S	*	*			trans	-102.7	91.3	172	35.1	-28.3	0	0	0	111.6
334	T	36.8	Very low	38.6	Very low	121 Å²	121	122.1 Å²	122.1	74%	0.742	72%	0.724	S	S	*	*			trans	-86.4	122.5	177.8	42.4	0	0	0	0	112.3	G336	T334-G336 PolarHBondContact O-N 3.2Å
335	K	37.4	Very low	37.6	Very low	213 Å²	213	122 Å²	122	93%	0.926	73%	0.734	S	S	*	*			trans	-89.8	99.3	177.7	-79.8	-175.3	175.7	178	0	112.2
336	G	32.9	Very low	37	Very low	76 Å²	76	126 Å²	126	78%	0.784	75%	0.752	S	S	*	*			trans	53.2	135.8	136	0	0	0	0	0	122.7	T334	T334-G336 PolarHBondContact O-N 3.2Å
337	S	33.1	Very low	36.7	Very low	123 Å²	123	128.4 Å²	128.4	86%	0.86	77%	0.769	S	S	*	*			trans	-152.7	143.9	134.6	60.7	0	0	0	0	112.5
338	K	37.7	Very low	36.1	Very low	162 Å²	162	129.1 Å²	129.1	70%	0.704	78%	0.782	S	S	*	*			trans	-57.9	164.5	163.8	-70.9	166.5	146.7	-75.3	0	111.4
339	E	35	Very low	36	Very low	139 Å²	139	132.7 Å²	132.7	65%	0.65	79%	0.791	S	S	*	*			cis	-165.7	-170.6	-11	-103.4	158	177.1	0	0	105.9
340	T	34.8	Very low	35.3	Very low	109 Å²	109	134.4 Å²	134.4	67%	0.669	80%	0.798	S	S	*	*			cis	-164.2	168	20.5	-21.5	0	0	0	0	110.4
341	N	34.8	Very low	34.9	Very low	160 Å²	160	130.5 Å²	130.5	86%	0.856	80%	0.795	S	S	*	*			trans	62.3	130.7	151.5	-69.5	-16.3	0	0	0	122.5
342	G	30.8	Very low	34.6	Very low	68 Å²	68	132.6 Å²	132.6	70%	0.701	80%	0.802	S	S	*	*				141.8	77.3	124.7	0	0	0	0	0	121.1
343	Q	33.9	Very low	34.5	Very low	194 Å²	194	130 Å²	130	91%	0.907	80%	0.801	S	S	*	*			trans	60.6	166.9	149.7	-67.3	174.9	-9.8	0	0	118.9
344	S	33.6	Very low	34.6	Very low	104 Å²	104	131 Å²	131	73%	0.727	80%	0.8	S	S	*	*			cis	-162	118.5	-44.6	56	0	0	0	0	111.4
345	G	30.2	Very low	34.5	Very low	75 Å²	75	133 Å²	133	77%	0.773	81%	0.805	S	S	*	*			trans	64.1	129.1	151.5	0	0	0	0	0	120.8
346	L	35.3	Very low	34.3	Very low	183 Å²	183	129.9 Å²	129.9	96%	0.958	80%	0.799	S	S	*	*				-172.9	157.1	119.3	-101.2	162.9	0	0	0	110.8
347	S	35.8	Very low	34.5	Very low	117 Å²	117	130.4 Å²	130.4	82%	0.818	79%	0.791	S	S	*	*			trans	-104.1	131	-176.8	60.6	0	0	0	0	112.5
348	G	32.2	Very low	34.6	Very low	78 Å²	78	129.5 Å²	129.5	80%	0.804	78%	0.784	S	S	*	*			trans	-126	132.8	166.4	0	0	0	0	0	110.7
349	K	38.1	Very low	34.5	Very low	215 Å²	215	129.8 Å²	129.8	94%	0.935	79%	0.788	S	S	*	*			trans	-104.6	128.5	171.9	-67.1	179.5	-179.2	178.1	0	109.5
350	S	31.3	Very low	34.5	Very low	120 Å²	120	131.3 Å²	131.3	84%	0.839	80%	0.795	S	S	*	*			trans	-153.1	137	157.6	49.1	0	0	0	0	109.6
351	S	32.6	Very low	34.7	Very low	109 Å²	109	134.6 Å²	134.6	76%	0.762	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-64.6	157.1	173.4	-54.1	0	0	0	0	110.9	S353	S351-S353 PolarHBondContact O-N 2.92Å; S351-S353 VanDerWaalsContact O-N 3.16Å
352	P	35.8	Very low	35	Very low	129 Å²	129	131.5 Å²	131.5	84%	0.838	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-64.9	116.6	169.4	28	-33.3	0	0	0	109.3
353	S	31.9	Very low	35.6	Very low	109 Å²	109	135 Å²	135	76%	0.762	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-69.5	152.8	155.4	53.7	0	0	0	0	108.9	S351	S351-S353 PolarHBondContact O-N 2.92Å; S351-S353 VanDerWaalsContact O-N 3.16Å
354	L	42.3	Very low	36.3	Very low	148 Å²	148	131.4 Å²	131.4	78%	0.775	78%	0.78	S	S	*	*			trans	-71.7	-170.8	159.9	-64.9	163.6	0	0	0	108.7
355	D	35.5	Very low	37.3	Very low	161 Å²	161	131.8 Å²	131.8	86%	0.861	77%	0.774	S	S	*	*			trans	70.8	68.6	163.6	-40.1	-23.1	0	0	0	116
356	D	31.9	Very low	39.1	Very low	148 Å²	148	136.3 Å²	136.3	79%	0.791	78%	0.775	S	S	*	*				-154.4	116.4	110.1	-165.8	5	0	0	0	110.7	S358	D356-S358 PolarHBondContact O-N 3.4Å
357	S	37.5	Very low	41.4	Very low	88 Å²	88	130.9 Å²	130.9	62%	0.615	75%	0.746	S	S	*	*			trans	-84.6	88.8	172.4	54	0	0	0	0	108.7	H359	S357-H359 PolarHBondContact O-N 3.29Å
358	S	36.7	Very low	43.9	Very low	104 Å²	104	129.5 Å²	129.5	73%	0.727	73%	0.725	S	S	*	*			trans	-64.8	83.2	168.4	63.9	0	0	0	0	109.8	D356 E360	D356-S358 PolarHBondContact O-N 3.4Å; S358-E360 PolarHBondContact O-N 2.72Å
359	H	34.7	Very low	46.9	Very low	167 Å²	167	129.9 Å²	129.9	77%	0.773	71%	0.705	S	S	*	*			trans	-58	94	156.9	-81	-102.6	0	0	0	106.7	S357 E361	S357-H359 PolarHBondContact O-N 3.29Å; H359-E361 PolarHBondContact O-N 3.08Å
360	E	35.8	Very low	49.7	Very low	172 Å²	172	119.7 Å²	119.7	80%	0.804	66%	0.661	S	S	*	*			trans	-61.2	90.6	150.4	-73.6	-167.3	158.4	0	0	105.9	S358 L362	S358-E360 PolarHBondContact O-N 2.72Å; E360-L362 PolarHBondContact O-N 3.46Å
361	E	39.1	Very low	52.9	Low	177 Å²	177	114.4 Å²	114.4	83%	0.827	62%	0.623	S	S	*	*			trans	-56.9	96.1	167.5	-177.6	172.3	-158.3	0	0	106.4	H359 T363	H359-E361 PolarHBondContact O-N 3.08Å; E361-T363 PolarHBondContact O-N 3.41Å
362	L	40.1	Very low	56.1	Low	96 Å²	96	109.2 Å²	109.2	50%	0.503	59%	0.586	S	S	.	*			trans	-49.5	121.5	173.8	-63.6	174.4	0	0	0	106.2	E360 L364	E360-L362 PolarHBondContact O-N 3.46Å; L362-L364 WeakPolarHBondContact O-CG 3.35Å; L362-L364 PolarHBondContact O-N 3.13Å
363	T	42.9	Very low	59.1	Low	140 Å²	140	103 Å²	103	86%	0.859	55%	0.547	S	S	*	.			trans	-61.9	94.6	173.9	51.5	0	0	0	0	107.2	E361 D365	E361-T363 PolarHBondContact O-N 3.41Å; T363-D365 PolarHBondContact O-N 2.97Å
364	L	49.8	Very low	62.3	Low	120 Å²	120	97.9 Å²	97.9	63%	0.628	51%	0.51	S	S	*	.			trans	-68.4	96.1	-172.7	-73.3	175.4	0	0	0	108.4	L362 E366 I367	L362-L364 WeakPolarHBondContact O-CG 3.35Å; L362-L364 PolarHBondContact O-N 3.13Å; L364-E366 WeakPolarHBondContact O-CA 3.34Å; L364-E366 PolarHBondContact O-N 3.48Å; L364-I367 HydrophobicContact CD1-CD1 4.45Å
365	D	53.7	Low	65	Low	112 Å²	112	90.8 Å²	90.8	60%	0.599	47%	0.473	S	S	*	.			trans	-34.6	108	153.4	-129.3	34.9	0	0	0	107.4	R317 T363 I367	R317-D365 IonicContact NH1-OD2 3.56Å; R317-D365 PolarHBondContact NH1-OD2 2.81Å; T363-D365 PolarHBondContact O-N 2.97Å; D365-I367 PolarHBondContact O-N 3.41Å
366	E	69.2	Low	68	Low	169 Å²	169	83.1 Å²	83.1	79%	0.79	43%	0.432	S	S	*	.			trans	-46.5	125.1	-158.1	-69.7	-174.4	123.7	0	0	112.1	L364 K368	L364-E366 WeakPolarHBondContact O-CA 3.34Å; L364-E366 PolarHBondContact O-N 3.48Å; E366-K368 VanDerWaalsContact O-CG 3.23Å; E366-K368 WeakPolarHBondContact O-CG 3.3Å; E366-K368 PolarHBondContact O-N 2.87Å
367	I	81.6	Confident	71.1	Confident	69 Å²	69	76.7 Å²	76.7	35%	0.354	40%	0.399	S	S	.	.			trans	-60.4	101.6	-176	-59.7	177.1	0	0	0	108.9	A310 A314 L364 D365 K369	A310-I367 HydrophobicContact CB-CG2 4.17Å; A314-I367 HydrophobicContact CB-CG1 4.28Å; L364-I367 HydrophobicContact CD1-CD1 4.45Å; D365-I367 PolarHBondContact O-N 3.41Å; I367-K369 PolarHBondContact O-N 2.74Å
368	K	90.1	Very high	73.9	Confident	89 Å²	89	79.4 Å²	79.4	39%	0.387	40%	0.397	S	S	.	.			trans	-69.9	115.9	-171.5	-63.8	-169.2	169.4	179.5	0	109.6	E366 N463 R465	E366-K368 VanDerWaalsContact O-CG 3.23Å; E366-K368 WeakPolarHBondContact O-CG 3.3Å; E366-K368 PolarHBondContact O-N 2.87Å; K368-N463 WeakPolarHBondContact CD-O 3.28Å; K368-N463 PolarHBondContact NZ-O 2.88Å; K368-R465 HydrophobicContact CB-CB 4.42Å; K368-R465 HydrophobicContact CB-CG 4.36Å
369	K	94.5	Very high	76.7	Confident	85 Å²	85	79 Å²	79	37%	0.37	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-47.6	147.4	175.5	-64.8	-175.3	-170.6	171.7	0	111.6	I367 C399 E401 R465	I367-K369 PolarHBondContact O-N 2.74Å; K369-C399 CarbonylContact C-O 3.51Å; K369-C399 WeakPolarHBondContact CA-O 3.43Å; K369-C399 VanDerWaalsContact CB-O 3.27Å; K369-C399 WeakPolarHBondContact CB-O 3.32Å; K369-E401 HydrophobicContact CD-CG 3.66Å; K369-E401 WeakPolarHBondContact CD-OE1 3.46Å; K369-E401 IonicContact NZ-OE1 3.71Å; K369-E401 PolarHBondContact NZ-OE1 3.25Å; K369-R465 WeakPolarHBondContact O-CD 3.37Å; K369-R465 WeakPolarHBondContact O-CG 3.23Å; K369-R465 PolarHBondContact O-NE 3.34Å
370	I	97.5	Very high	79.6	Confident	2 Å²	2	72.7 Å²	72.7	1%	0.01	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	140.7	168.8	-68.3	172.6	0	0	0	109.6	L306 L309 A310 I372 C399 A400 E401 R465 P466 L468	L306-I370 HydrophobicContact CB-CD1 4.26Å; L306-I370 HydrophobicContact CG-CD1 4.3Å; L306-I370 WeakPolarHBondContact O-CD1 3.48Å; L309-I370 HydrophobicContact CB-CD1 3.81Å; A310-I370 HydrophobicContact CB-CD1 4.48Å; A310-I370 HydrophobicContact CB-CG1 4.24Å; I370-I372 HydrophobicContact CG2-CG1 4.05Å; I370-C399 PolarHBondContact N-O 3.5Å; I370-A400 HydrophobicContact CB-CB 4.42Å; I370-A400 CarbonylContact O-C 3.58Å; I370-A400 VanDerWaalsContact O-CA 3.31Å; I370-A400 WeakPolarHBondContact O-CA 3.4Å; I370-E401 PolarHBondContact O-N 3.29Å; I370-R465 PolarHBondContact O-NH2 3.35Å; I370-P466 WeakPolarHBondContact CA-O 3.42Å; I370-P466 HydrophobicContact CG1-CB 4.22Å; I370-P466 HydrophobicContact CG1-CG 3.87Å; I370-L468 HydrophobicContact CG2-CB 3.78Å
371	L	98.6	Very high	82.4	Confident	8 Å²	8	64.5 Å²	64.5	4%	0.042	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	118.7	159.2	-175.9	66.2	0	0	0	108.4	V373 E403 T455 T459 P466 V467 L468	L371-V373 HydrophobicContact CD2-CG2 3.87Å; L371-V373 HydrophobicContact CG-CG2 3.94Å; L371-E403 HydrophobicContact CD1-CB 4.21Å; L371-T455 HydrophobicContact CD2-CG2 3.98Å; L371-T459 HydrophobicContact CB-CG2 4.01Å; L371-T459 HydrophobicContact CD2-CG2 3.88Å; L371-T459 WeakPolarHBondContact CD2-OG1 3.42Å; L371-P466 PolarHBondContact N-O 3.31Å; L371-V467 HydrophobicContact CB-CG2 4.37Å; L371-V467 CarbonylContact O-C 3.16Å; L371-V467 WeakPolarHBondContact O-CA 3.43Å; L371-L468 PolarHBondContact O-N 3.12Å
372	I	98.8	Very high	85	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	115.7	171.7	-57.9	179.1	0	0	0	107.2	L306 I370 E392 A400 E401 I402 E403 L468 H470	L306-I372 HydrophobicContact CD2-CD1 3.84Å; I370-I372 HydrophobicContact CG2-CG1 4.05Å; I372-E392 HydrophobicContact CD1-CB 3.96Å; I372-E392 HydrophobicContact CD1-CG 3.76Å; I372-A400 HydrophobicContact CD1-CB 3.7Å; I372-A400 HydrophobicContact CG1-CB 4.05Å; I372-E401 PolarHBondContact N-O 2.81Å; I372-I402 HydrophobicContact CB-CG1 4.17Å; I372-I402 HydrophobicContact CB-CG2 4.44Å; I372-I402 HydrophobicContact CD1-CG1 4.34Å; I372-I402 HydrophobicContact CG2-CG2 4.38Å; I372-I402 CarbonylContact O-C 3.5Å; I372-I402 WeakPolarHBondContact O-CA 3.49Å; I372-E403 PolarHBondContact O-N 2.75Å; I372-L468 CarbonylContact C-O 3.54Å; I372-L468 WeakPolarHBondContact CA-O 3.31Å; I372-L468 HydrophobicContact CG1-CD2 4.46Å; I372-H470 WeakPolarHBondContact CG2-NE2 3.48Å
373	V	98.8	Very high	87.6	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	97.5	177.6	176.3	0	0	0	0	107.6	L371 M405 V456 V467 L468 V469 H470	L371-V373 HydrophobicContact CD2-CG2 3.87Å; L371-V373 HydrophobicContact CG-CG2 3.94Å; V373-M405 HydrophobicContact CG1-CE 4.07Å; V373-M405 HydrophobicContact CG1-CG 3.47Å; V373-M405 VanDerWaalsContact CG1-CG 3.47Å; V373-M405 HydrophobicContact CG1-SD 3.67Å; V373-V456 HydrophobicContact CG1-CG2 4.4Å; V373-V456 HydrophobicContact CG2-CG2 4.14Å; V373-V467 HydrophobicContact CG2-CG1 3.89Å; V373-L468 PolarHBondContact N-O 3.44Å; V373-V469 HydrophobicContact CB-CG1 4.47Å; V373-V469 HydrophobicContact CB-CG2 4.28Å; V373-V469 HydrophobicContact CG1-CG1 4.38Å; V373-V469 WeakPolarHBondContact O-CA 3.37Å; V373-H470 PolarHBondContact O-N 3.14Å
374	D	98.8	Very high	89.9	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	116.8	168.6	-170.5	-20.5	0	0	0	107.9	R376 E403 F404 M405 H470	D374-R376 PolarHBondContact O-N 2.74Å; D374-R376 VanDerWaalsContact O-N 3.09Å; D374-R376 VanDerWaalsContact OD1-CB 3.24Å; D374-R376 WeakPolarHBondContact OD1-CB 3.19Å; D374-R376 VanDerWaalsContact OD1-CG 3.3Å; D374-R376 WeakPolarHBondContact OD1-CG 3.28Å; D374-R376 IonicContact OD1-CZ 2.69Å; D374-R376 PolarHBondContact OD1-N 2.94Å; D374-R376 IonicContact OD1-NE 2.86Å; D374-R376 PolarHBondContact OD1-NE 2.65Å; D374-R376 IonicContact OD1-NH2 3.48Å; D374-R376 IonicContact OD2-CZ 3.45Å; D374-R376 VanDerWaalsContact OD2-CZ 3.3Å; D374-R376 IonicContact OD2-NE 2.85Å; D374-R376 PolarHBondContact OD2-NE 3.14Å; D374-R376 IonicContact OD2-NH2 3.3Å; D374-R376 PolarHBondContact OD2-NH2 3.05Å; D374-E403 PolarHBondContact N-O 2.86Å; D374-F404 HydrophobicContact CB-CD1 3.73Å; D374-F404 HydrophobicContact CB-CE1 3.81Å; D374-F404 WeakPolarHBondContact O-CA 3.45Å; D374-M405 PolarHBondContact O-N 3.28Å; D374-H470 VanDerWaalsContact CG-CE1 3.42Å; D374-H470 IonicContact OD1-CE1 3.3Å; D374-H470 IonicContact OD2-CE1 3.73Å; D374-H470 PolarHBondContact OD2-CE1 2.88Å
375	A	98.7	Very high	92	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.244	C	C	.	.	S	Bend	trans	-64.6	-14	-179.6	0	0	0	0	0	113.6	L407 H470 C471 R477 I481	A375-L407 HydrophobicContact CB-CD1 4.36Å; A375-L407 WeakPolarHBondContact O-CA 3.43Å; A375-L407 WeakPolarHBondContact O-CB 3.46Å; A375-L407 WeakPolarHBondContact O-CG 3.41Å; A375-L407 PolarHBondContact O-N 3.01Å; A375-H470 WeakPolarHBondContact CB-O 3.39Å; A375-H470 PolarHBondContact N-O 3.38Å; A375-C471 HydrophobicContact CB-CB 4Å; A375-R477 HydrophobicContact CB-CB 3.57Å; A375-R477 HydrophobicContact CB-CG 4.39Å; A375-I481 HydrophobicContact CB-CD1 3.72Å
376	R	98.5	Very high	93.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.24	C	C	.	.	S	Bend	trans	-81.8	174	-177	-61.8	174.8	-67.2	-177	8.2	112.4	D374 N384 G390 F404 M405 N406 C471 S472	D374-R376 PolarHBondContact O-N 2.74Å; D374-R376 VanDerWaalsContact O-N 3.09Å; D374-R376 VanDerWaalsContact OD1-CB 3.24Å; D374-R376 WeakPolarHBondContact OD1-CB 3.19Å; D374-R376 VanDerWaalsContact OD1-CG 3.3Å; D374-R376 WeakPolarHBondContact OD1-CG 3.28Å; D374-R376 IonicContact OD1-CZ 2.69Å; D374-R376 PolarHBondContact OD1-N 2.94Å; D374-R376 IonicContact OD1-NE 2.86Å; D374-R376 PolarHBondContact OD1-NE 2.65Å; D374-R376 IonicContact OD1-NH2 3.48Å; D374-R376 IonicContact OD2-CZ 3.45Å; D374-R376 VanDerWaalsContact OD2-CZ 3.3Å; D374-R376 IonicContact OD2-NE 2.85Å; D374-R376 PolarHBondContact OD2-NE 3.14Å; D374-R376 IonicContact OD2-NH2 3.3Å; D374-R376 PolarHBondContact OD2-NH2 3.05Å; R376-N384 PolarHBondContact NH1-OD1 3.19Å; R376-G390 PolarHBondContact NH2-O 2.88Å; R376-F404 CarbonylContact O-C 3.38Å; R376-M405 PolarHBondContact O-N 3.46Å; R376-N406 PolarHBondContact O-N 3.46Å; R376-C471 HydrophobicContact CG-CB 4.26Å; R376-S472 WeakPolarHBondContact CD-OG 3.19Å; R376-S472 PolarHBondContact NH1-OG 2.78Å
377	S	97.5	Very high	94.7	Very high	12 Å²	12	43.5 Å²	43.5	8%	0.084	22%	0.22	C	C	.	.			trans	-74	156.1	157.7	73.4	0	0	0	0	110	T379 S380 A381 N406	S377-T379 PolarHBondContact O-N 2.81Å; S377-T379 PolarHBondContact OG-N 2.9Å; S377-T379 PolarHBondContact OG-OG1 2.85Å; S377-S380 PolarHBondContact O-N 3.44Å; S377-S380 WeakPolarHBondContact OG-CB 3.33Å; S377-S380 PolarHBondContact OG-N 2.82Å; S377-S380 PolarHBondContact OG-OG 2.85Å; S377-A381 PolarHBondContact O-N 2.82Å; S377-N406 WeakPolarHBondContact CB-OD1 3.4Å
378	Y	96.4	Very high	95.1	Very high	146 Å²	146	41.8 Å²	41.8	57%	0.573	22%	0.22	S	C	*	.	H	α-helix	trans	-55.9	-39.4	169.4	174.7	-106.1	0	0	0	111.7	A381 V382 F404	Y378-A381 PolarHBondContact O-N 3.25Å; Y378-V382 HydrophobicContact CD1-CG2 4.37Å; Y378-V382 HydrophobicContact CD2-CG2 4.36Å; Y378-V382 HydrophobicContact CE1-CG2 3.91Å; Y378-V382 HydrophobicContact CE2-CG2 3.9Å; Y378-V382 WeakPolarHBondContact O-CG2 3.4Å; Y378-V382 PolarHBondContact O-N 2.8Å; Y378-F404 HydrophobicContact CD2-CD2 4.29Å; Y378-F404 HydrophobicContact CD2-CE1 4.46Å; Y378-F404 AromaticContact CD2-CE2 3.78Å; Y378-F404 HydrophobicContact CD2-CE2 3.78Å; Y378-F404 AromaticContact CD2-CZ 3.88Å; Y378-F404 HydrophobicContact CD2-CZ 3.88Å
379	T	95.8	Very high	95.2	Very high	96 Å²	96	37.9 Å²	37.9	59%	0.589	21%	0.205	S	C	*	.	H	α-helix	trans	-62.4	-46.1	178.1	49.6	0	0	0	0	112.3	S377 A381 V382 T383	S377-T379 PolarHBondContact O-N 2.81Å; S377-T379 PolarHBondContact OG-N 2.9Å; S377-T379 PolarHBondContact OG-OG1 2.85Å; T379-A381 VanDerWaalsContact C-N 3.34Å; T379-A381 PolarHBondContact O-N 3.15Å; T379-V382 PolarHBondContact O-N 2.95Å; T379-T383 PolarHBondContact O-N 3.45Å; T379-T383 PolarHBondContact O-OG1 3.07Å; T379-T383 VanDerWaalsContact O-OG1 3.07Å
380	S	95.8	Very high	95.2	Very high	33 Å²	33	33.8 Å²	33.8	23%	0.231	19%	0.187	C	C	.	.	H	α-helix	trans	-65	-35.6	175.9	-67.5	0	0	0	0	112.4	S377 T383 N384	S377-S380 PolarHBondContact O-N 3.44Å; S377-S380 WeakPolarHBondContact OG-CB 3.33Å; S377-S380 PolarHBondContact OG-N 2.82Å; S377-S380 PolarHBondContact OG-OG 2.85Å; S380-T383 PolarHBondContact O-N 3.19Å; S380-N384 WeakPolarHBondContact O-CB 3.42Å; S380-N384 PolarHBondContact O-N 2.86Å; S380-N384 PolarHBondContact O-ND2 3.35Å
381	A	95.1	Very high	95.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-64.6	-39.8	173.6	0	0	0	0	0	112	S377 Y378 T379 N384 R385 C391 F404	S377-A381 PolarHBondContact O-N 2.82Å; Y378-A381 PolarHBondContact O-N 3.25Å; T379-A381 VanDerWaalsContact C-N 3.34Å; T379-A381 PolarHBondContact O-N 3.15Å; A381-N384 PolarHBondContact O-N 3.37Å; A381-R385 PolarHBondContact O-N 2.93Å; A381-C391 HydrophobicContact CB-CB 4.37Å; A381-F404 HydrophobicContact CB-CD1 4.4Å; A381-F404 HydrophobicContact CB-CE1 3.69Å
382	V	93.3	Very high	95	Very high	66 Å²	66	34.5 Å²	34.5	40%	0.4	19%	0.192	S	C	.	.	H	α-helix	trans	-67.7	-40.7	173.4	172.9	0	0	0	0	111.9	Y378 T379 N384 R385 A386	Y378-V382 HydrophobicContact CD1-CG2 4.37Å; Y378-V382 HydrophobicContact CD2-CG2 4.36Å; Y378-V382 HydrophobicContact CE1-CG2 3.91Å; Y378-V382 HydrophobicContact CE2-CG2 3.9Å; Y378-V382 WeakPolarHBondContact O-CG2 3.4Å; Y378-V382 PolarHBondContact O-N 2.8Å; T379-V382 PolarHBondContact O-N 2.95Å; V382-N384 VanDerWaalsContact C-N 3.34Å; V382-N384 PolarHBondContact O-N 2.98Å; V382-R385 WeakPolarHBondContact O-CB 3.5Å; V382-R385 PolarHBondContact O-N 2.94Å; V382-R385 VanDerWaalsContact O-N 3.12Å; V382-A386 PolarHBondContact O-N 3.09Å; V382-A386 VanDerWaalsContact O-N 3.14Å
383	T	93.6	Very high	94.7	Very high	62 Å²	62	36.2 Å²	36.2	38%	0.38	20%	0.203	S	C	.	.	H	α-helix	trans	-62.6	-40.6	173.1	-53.6	0	0	0	0	111.8	T379 S380 R385 A386 R387	T379-T383 PolarHBondContact O-N 3.45Å; T379-T383 PolarHBondContact O-OG1 3.07Å; T379-T383 VanDerWaalsContact O-OG1 3.07Å; S380-T383 PolarHBondContact O-N 3.19Å; T383-R385 VanDerWaalsContact C-N 3.29Å; T383-R385 PolarHBondContact O-N 3.31Å; T383-A386 WeakPolarHBondContact O-CB 3.45Å; T383-A386 PolarHBondContact O-N 3.46Å; T383-R387 PolarHBondContact O-N 2.88Å
384	N	92.7	Very high	94.3	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-64.7	-33.6	173.5	-87.1	-110.6	0	0	0	111.7	Q289 R376 S380 A381 V382 A386 R387 G388 G389 S472 T858 D859	Q289-N384 PolarHBondContact NE2-OD1 3.48Å; Q289-N384 VanDerWaalsContact NE2-OD1 3.14Å; R376-N384 PolarHBondContact NH1-OD1 3.19Å; S380-N384 WeakPolarHBondContact O-CB 3.42Å; S380-N384 PolarHBondContact O-N 2.86Å; S380-N384 PolarHBondContact O-ND2 3.35Å; A381-N384 PolarHBondContact O-N 3.37Å; V382-N384 VanDerWaalsContact C-N 3.34Å; V382-N384 PolarHBondContact O-N 2.98Å; N384-A386 VanDerWaalsContact C-N 3.35Å; N384-A386 PolarHBondContact O-N 3.19Å; N384-R387 CarbonylContact O-C 3.55Å; N384-R387 WeakPolarHBondContact O-CA 3.42Å; N384-R387 PolarHBondContact O-N 2.61Å; N384-G388 PolarHBondContact O-N 3.31Å; N384-G389 WeakPolarHBondContact O-CA 3.35Å; N384-G389 PolarHBondContact O-N 3.48Å; N384-S472 PolarHBondContact OD1-OG 2.59Å; N384-T858 PolarHBondContact OD1-OG1 2.66Å; N384-D859 PolarHBondContact ND2-OD1 3.43Å
385	R	92.4	Very high	93.9	Very high	81 Å²	81	45 Å²	45	31%	0.306	25%	0.246	S	C	.	.	H	α-helix	trans	-62.3	-38.2	173.2	-170.2	174.6	169.6	177.3	-8.6	112.8	G293 W294 A381 V382 T383 R387 G388 G389	G293-R385 CarbonylContact C-O 3.57Å; G293-R385 VanDerWaalsContact CA-O 3.23Å; G293-R385 WeakPolarHBondContact CA-O 3.5Å; G293-R385 WeakPolarHBondContact O-CG 3.32Å; G293-R385 PolarHBondContact O-NE 2.96Å; W294-R385 PolarHBondContact N-O 2.91Å; W294-R385 VanDerWaalsContact N-O 3.08Å; A381-R385 PolarHBondContact O-N 2.93Å; V382-R385 WeakPolarHBondContact O-CB 3.5Å; V382-R385 PolarHBondContact O-N 2.94Å; V382-R385 VanDerWaalsContact O-N 3.12Å; T383-R385 VanDerWaalsContact C-N 3.29Å; T383-R385 PolarHBondContact O-N 3.31Å; R385-R387 PolarHBondContact O-N 3.09Å; R385-G388 PolarHBondContact O-N 3.11Å; R385-G389 WeakPolarHBondContact CA-O 3.33Å
386	A	90.4	Very high	93.6	Very high	62 Å²	62	49 Å²	49	51%	0.512	26%	0.262	S	S	.	.	H	α-helix	trans	-63.8	-24.4	172.2	0	0	0	0	0	113	W294 V382 T383 N384	W294-A386 HydrophobicContact CE3-CB 4.29Å; V382-A386 PolarHBondContact O-N 3.09Å; V382-A386 VanDerWaalsContact O-N 3.14Å; T383-A386 WeakPolarHBondContact O-CB 3.45Å; T383-A386 PolarHBondContact O-N 3.46Å; N384-A386 VanDerWaalsContact C-N 3.35Å; N384-A386 PolarHBondContact O-N 3.19Å
387	R	89.7	Confident	93.5	Very high	101 Å²	101	49.3 Å²	49.3	38%	0.381	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	13	176.7	-70	176.6	163	134.9	3.2	114.4	T383 N384 R385 T858 T860	T383-R387 PolarHBondContact O-N 2.88Å; N384-R387 CarbonylContact O-C 3.55Å; N384-R387 WeakPolarHBondContact O-CA 3.42Å; N384-R387 PolarHBondContact O-N 2.61Å; R385-R387 PolarHBondContact O-N 3.09Å; R387-T858 WeakPolarHBondContact CD-O 3.38Å; R387-T858 PolarHBondContact NH1-O 3.48Å; R387-T860 PolarHBondContact NH2-O 3.1Å
388	G	89.8	Confident	93.3	Very high	33 Å²	33	53.2 Å²	53.2	34%	0.34	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	97	-19.3	178.8	0	0	0	0	0	115.1	E291 G293 N384 R385	E291-G388 CarbonylContact C-O 3.58Å; E291-G388 WeakPolarHBondContact CA-O 3.28Å; G293-G388 WeakPolarHBondContact CA-O 3.22Å; G293-G388 PolarHBondContact N-O 2.86Å; G293-G388 VanDerWaalsContact N-O 3.07Å; N384-G388 PolarHBondContact O-N 3.31Å; R385-G388 PolarHBondContact O-N 3.11Å
389	G	93.5	Very high	93.1	Very high	7 Å²	7	47.1 Å²	47.1	7%	0.072	27%	0.267	C	S	.	.			trans	-78.7	-137.6	174.1	0	0	0	0	0	112.8	P290 V292 G293 N384 R385	P290-G389 CarbonylContact O-C 3.22Å; V292-G389 PolarHBondContact N-O 2.98Å; G293-G389 PolarHBondContact N-O 3.35Å; N384-G389 WeakPolarHBondContact O-CA 3.35Å; N384-G389 PolarHBondContact O-N 3.48Å; R385-G389 WeakPolarHBondContact CA-O 3.33Å
390	G	93.6	Very high	93.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.241	C	C	.	.			trans	136.5	-146.2	172	0	0	0	0	0	113.6	Q289 P290 R376	Q289-G390 WeakPolarHBondContact CB-O 3.41Å; Q289-G390 PolarHBondContact OE1-O 3.43Å; P290-G390 PolarHBondContact O-N 3.39Å; R376-G390 PolarHBondContact NH2-O 2.88Å
391	C	95.6	Very high	93.2	Very high	18 Å²	18	44.9 Å²	44.9	12%	0.122	25%	0.246	C	C	.	.			trans	-145.4	162.4	175.1	56.5	0	0	0	0	109.2	A381 F404	A381-C391 HydrophobicContact CB-CB 4.37Å; C391-F404 HydrophobicContact CB-CE1 4.34Å; C391-F404 HydrophobicContact CB-CZ 4.2Å
392	E	96.1	Very high	93.3	Very high	6 Å²	6	46.9 Å²	46.9	3%	0.028	26%	0.257	C	S	.	.			trans	-58.3	149.8	178.5	-72	84.7	157.9	0	0	111.7	R265 P290 I372 Y397 I402 H470	R265-E392 IonicContact CZ-OE1 2.63Å; R265-E392 IonicContact NH1-OE1 2.73Å; R265-E392 PolarHBondContact NH1-OE1 3.41Å; R265-E392 IonicContact NH2-OE1 3.62Å; R265-E392 PolarHBondContact NH2-OE1 2.62Å; P290-E392 WeakPolarHBondContact CD-OE2 3.43Å; P290-E392 HydrophobicContact CG-CG 4.2Å; I372-E392 HydrophobicContact CD1-CB 3.96Å; I372-E392 HydrophobicContact CD1-CG 3.76Å; E392-Y397 HydrophobicContact CB-CD2 3.67Å; E392-Y397 HydrophobicContact CB-CE2 3.85Å; E392-Y397 HydrophobicContact CB-CG 4.19Å; E392-Y397 HydrophobicContact CG-CD1 4.35Å; E392-Y397 HydrophobicContact CG-CD2 3.96Å; E392-Y397 HydrophobicContact CG-CE1 4.18Å; E392-Y397 HydrophobicContact CG-CE2 3.81Å; E392-Y397 HydrophobicContact CG-CG 4.25Å; E392-I402 HydrophobicContact CB-CD1 3.78Å; E392-I402 WeakPolarHBondContact O-CD1 3.36Å; E392-H470 IonicContact OE2-CE1 3.75Å; E392-H470 IonicContact OE2-NE2 3.82Å
393	C	92.6	Very high	93.6	Very high	36 Å²	36	47.4 Å²	47.4	24%	0.243	26%	0.255	C	S	.	.			trans	-109.1	118.6	179.8	-150.6	0	0	0	0	108.9	E395 Y396 Y397	C393-E395 PolarHBondContact O-N 3.5Å; C393-E395 VanDerWaalsContact O-N 3.09Å; C393-E395 PolarHBondContact SG-OE2 2.82Å; C393-Y396 HydrophobicContact CB-CD2 3.54Å; C393-Y396 HydrophobicContact CB-CE2 3.98Å; C393-Y396 HydrophobicContact CB-CG 4.06Å; C393-Y396 WeakPolarHBondContact O-CA 3.41Å; C393-Y396 WeakPolarHBondContact O-CB 3.34Å; C393-Y396 PolarHBondContact O-N 2.68Å; C393-Y397 WeakPolarHBondContact O-CD2 3.47Å; C393-Y397 PolarHBondContact O-N 3.28Å
394	I	90.6	Very high	93.8	Very high	72 Å²	72	47.3 Å²	47.3	37%	0.369	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-25.8	-167.1	59.6	174.3	0	0	0	114	Y396 Y397 I402 V915	I394-Y396 PolarHBondContact O-N 2.92Å; I394-Y397 CarbonylContact O-C 3.54Å; I394-I402 HydrophobicContact CG2-CD1 4.02Å; I394-I402 HydrophobicContact CG2-CG1 4.19Å; I394-V915 HydrophobicContact CD1-CG2 4.41Å
395	E	91.1	Very high	94.1	Very high	113 Å²	113	48.5 Å²	48.5	53%	0.528	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-25.4	173.1	-59.7	73.4	-163	0	0	112.7	C393	C393-E395 PolarHBondContact O-N 3.5Å; C393-E395 VanDerWaalsContact O-N 3.09Å; C393-E395 PolarHBondContact SG-OE2 2.82Å
396	Y	92.8	Very high	94.4	Very high	85 Å²	85	50.5 Å²	50.5	33%	0.333	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-24.6	-177.6	-53.8	-19.1	0	0	0	111.8	R298 C393 I394 P398	R298-Y396 HydrophobicContact CG-CD2 3.68Å; R298-Y396 HydrophobicContact CG-CE2 3.64Å; R298-Y396 VanDerWaalsContact NH1-CE1 3.27Å; C393-Y396 HydrophobicContact CB-CD2 3.54Å; C393-Y396 HydrophobicContact CB-CE2 3.98Å; C393-Y396 HydrophobicContact CB-CG 4.06Å; C393-Y396 WeakPolarHBondContact O-CA 3.41Å; C393-Y396 WeakPolarHBondContact O-CB 3.34Å; C393-Y396 PolarHBondContact O-N 2.68Å; I394-Y396 PolarHBondContact O-N 2.92Å; Y396-P398 WeakPolarHBondContact O-CD 3.49Å
397	Y	95.6	Very high	94.7	Very high	5 Å²	5	48.5 Å²	48.5	2%	0.02	25%	0.253	C	S	.	.			trans	-114.9	62.9	174.3	-58.7	-94.6	0	0	0	110.7	D302 E303 L306 E392 C393 I394 C399 A400	D302-Y397 WeakPolarHBondContact OD2-CE1 3.29Å; D302-Y397 PolarHBondContact OD2-OH 2.89Å; E303-Y397 HydrophobicContact CB-CD1 4.43Å; E303-Y397 HydrophobicContact CB-CE1 4.16Å; E303-Y397 HydrophobicContact CG-CD1 4.12Å; E303-Y397 HydrophobicContact CG-CE1 3.66Å; E303-Y397 HydrophobicContact CG-CE2 4.16Å; L306-Y397 HydrophobicContact CB-CD1 4.33Å; L306-Y397 HydrophobicContact CD2-CD1 3.6Å; L306-Y397 HydrophobicContact CD2-CE1 3.91Å; E392-Y397 HydrophobicContact CB-CD2 3.67Å; E392-Y397 HydrophobicContact CB-CE2 3.85Å; E392-Y397 HydrophobicContact CB-CG 4.19Å; E392-Y397 HydrophobicContact CG-CD1 4.35Å; E392-Y397 HydrophobicContact CG-CD2 3.96Å; E392-Y397 HydrophobicContact CG-CE1 4.18Å; E392-Y397 HydrophobicContact CG-CE2 3.81Å; E392-Y397 HydrophobicContact CG-CG 4.25Å; C393-Y397 WeakPolarHBondContact O-CD2 3.47Å; C393-Y397 PolarHBondContact O-N 3.28Å; I394-Y397 CarbonylContact O-C 3.54Å; Y397-C399 PolarHBondContact O-N 3.43Å; Y397-C399 VanDerWaalsContact O-N 3.07Å; Y397-A400 PolarHBondContact O-N 3.03Å
398	P	93.4	Very high	95	Very high	95 Å²	95	44.8 Å²	44.8	62%	0.617	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-15.8	-176.1	28.2	-37	0	0	0	113.8	Y396	Y396-P398 WeakPolarHBondContact O-CD 3.49Å
399	C	92.8	Very high	95.4	Very high	18 Å²	18	44.7 Å²	44.7	12%	0.122	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	7.6	170.8	63	0	0	0	0	113.8	K307 K369 I370 Y397	K307-C399 HydrophobicContact CD-CB 3.79Å; K369-C399 CarbonylContact C-O 3.51Å; K369-C399 WeakPolarHBondContact CA-O 3.43Å; K369-C399 VanDerWaalsContact CB-O 3.27Å; K369-C399 WeakPolarHBondContact CB-O 3.32Å; I370-C399 PolarHBondContact N-O 3.5Å; Y397-C399 PolarHBondContact O-N 3.43Å; Y397-C399 VanDerWaalsContact O-N 3.07Å
400	A	96.4	Very high	95.5	Very high	5 Å²	5	45.2 Å²	45.2	4%	0.041	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	164.8	-177.9	0	0	0	0	0	112.5	I370 I372 Y397	I370-A400 HydrophobicContact CB-CB 4.42Å; I370-A400 CarbonylContact O-C 3.58Å; I370-A400 VanDerWaalsContact O-CA 3.31Å; I370-A400 WeakPolarHBondContact O-CA 3.4Å; I372-A400 HydrophobicContact CD1-CB 3.7Å; I372-A400 HydrophobicContact CG1-CB 4.05Å; Y397-A400 PolarHBondContact O-N 3.03Å
401	E	96.9	Very high	95.7	Very high	76 Å²	76	47 Å²	47	36%	0.355	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	152.8	167.1	-54.4	169.9	159.4	0	0	107.4	K369 I370 I372 R465	K369-E401 HydrophobicContact CD-CG 3.66Å; K369-E401 WeakPolarHBondContact CD-OE1 3.46Å; K369-E401 IonicContact NZ-OE1 3.71Å; K369-E401 PolarHBondContact NZ-OE1 3.25Å; I370-E401 PolarHBondContact O-N 3.29Å; I372-E401 PolarHBondContact N-O 2.81Å; E401-R465 IonicContact OE2-CZ 2.8Å; E401-R465 VanDerWaalsContact OE2-CZ 3.22Å; E401-R465 IonicContact OE2-NH1 3.73Å; E401-R465 PolarHBondContact OE2-NH1 2.89Å; E401-R465 IonicContact OE2-NH2 3.07Å; E401-R465 PolarHBondContact OE2-NH2 3.3Å
402	I	97.4	Very high	95.8	Very high	42 Å²	42	47.8 Å²	47.8	22%	0.215	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	134.6	-169	-48.6	172.8	0	0	0	110.2	I372 E392 I394 F404	I372-I402 HydrophobicContact CB-CG1 4.17Å; I372-I402 HydrophobicContact CB-CG2 4.44Å; I372-I402 HydrophobicContact CD1-CG1 4.34Å; I372-I402 HydrophobicContact CG2-CG2 4.38Å; I372-I402 CarbonylContact O-C 3.5Å; I372-I402 WeakPolarHBondContact O-CA 3.49Å; E392-I402 HydrophobicContact CB-CD1 3.78Å; E392-I402 WeakPolarHBondContact O-CD1 3.36Å; I394-I402 HydrophobicContact CG2-CD1 4.02Å; I394-I402 HydrophobicContact CG2-CG1 4.19Å; I402-F404 HydrophobicContact CG2-CD2 4.37Å; I402-F404 HydrophobicContact CG2-CE1 4.43Å; I402-F404 HydrophobicContact CG2-CE2 3.78Å; I402-F404 HydrophobicContact CG2-CZ 3.81Å
403	E	98.3	Very high	95.9	Very high	78 Å²	78	48 Å²	48	36%	0.364	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	130.9	174.5	-157.2	-178.4	136.3	0	0	110	L371 I372 D374 M405 T455	L371-E403 HydrophobicContact CD1-CB 4.21Å; I372-E403 PolarHBondContact O-N 2.75Å; D374-E403 PolarHBondContact N-O 2.86Å; E403-M405 HydrophobicContact CB-CE 3.73Å; E403-M405 HydrophobicContact CG-CE 3.48Å; E403-M405 VanDerWaalsContact CG-CE 3.48Å; E403-M405 WeakPolarHBondContact OE1-CE 3.2Å; E403-T455 WeakPolarHBondContact OE1-CG2 3.49Å; E403-T455 WeakPolarHBondContact OE2-CG2 3.28Å
404	F	98.5	Very high	96.1	Very high	60 Å²	60	48.7 Å²	48.7	26%	0.263	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	118.1	-175.6	-69.4	-83.4	0	0	0	110.9	D374 R376 Y378 A381 C391 I402 N406	D374-F404 HydrophobicContact CB-CD1 3.73Å; D374-F404 HydrophobicContact CB-CE1 3.81Å; D374-F404 WeakPolarHBondContact O-CA 3.45Å; R376-F404 CarbonylContact O-C 3.38Å; Y378-F404 HydrophobicContact CD2-CD2 4.29Å; Y378-F404 HydrophobicContact CD2-CE1 4.46Å; Y378-F404 AromaticContact CD2-CE2 3.78Å; Y378-F404 HydrophobicContact CD2-CE2 3.78Å; Y378-F404 AromaticContact CD2-CZ 3.88Å; Y378-F404 HydrophobicContact CD2-CZ 3.88Å; A381-F404 HydrophobicContact CB-CD1 4.4Å; A381-F404 HydrophobicContact CB-CE1 3.69Å; C391-F404 HydrophobicContact CB-CE1 4.34Å; C391-F404 HydrophobicContact CB-CZ 4.2Å; I402-F404 HydrophobicContact CG2-CD2 4.37Å; I402-F404 HydrophobicContact CG2-CE1 4.43Å; I402-F404 HydrophobicContact CG2-CE2 3.78Å; I402-F404 HydrophobicContact CG2-CZ 3.81Å; F404-N406 PolarHBondContact O-N 2.93Å
405	M	98.5	Very high	96.4	Very high	26 Å²	26	53.4 Å²	53.4	13%	0.128	27%	0.271	C	S	.	.			trans	-82.9	-9	-171.2	-55.4	-67.5	97.6	0	0	114.8	V373 D374 R376 E403 L407 A452 T455 I481	V373-M405 HydrophobicContact CG1-CE 4.07Å; V373-M405 HydrophobicContact CG1-CG 3.47Å; V373-M405 VanDerWaalsContact CG1-CG 3.47Å; V373-M405 HydrophobicContact CG1-SD 3.67Å; D374-M405 PolarHBondContact O-N 3.28Å; R376-M405 PolarHBondContact O-N 3.46Å; E403-M405 HydrophobicContact CB-CE 3.73Å; E403-M405 HydrophobicContact CG-CE 3.48Å; E403-M405 VanDerWaalsContact CG-CE 3.48Å; E403-M405 WeakPolarHBondContact OE1-CE 3.2Å; M405-L407 VanDerWaalsContact C-N 3.26Å; M405-L407 HydrophobicContact CB-CD1 4.38Å; M405-L407 HydrophobicContact CB-CD2 4.43Å; M405-L407 HydrophobicContact CB-CG 3.9Å; M405-L407 PolarHBondContact O-N 3.44Å; M405-A452 HydrophobicContact CB-CB 3.9Å; M405-A452 HydrophobicContact CG-CB 3.72Å; M405-A452 VanDerWaalsContact SD-CA 3.57Å; M405-A452 HydrophobicContact SD-CB 3.46Å; M405-A452 WeakPolarHBondContact SD-CB 3.49Å; M405-T455 HydrophobicContact CE-CG2 4.49Å; M405-I481 HydrophobicContact CG-CD1 4.46Å
406	N	97.9	Very high	96.7	Very high	122 Å²	122	48.3 Å²	48.3	65%	0.652	25%	0.248	S	C	*	.			trans	58.3	28.9	178.8	-163.7	46.4	0	0	0	114.8	R376 S377 F404	R376-N406 PolarHBondContact O-N 3.46Å; S377-N406 WeakPolarHBondContact CB-OD1 3.4Å; F404-N406 PolarHBondContact O-N 2.93Å
407	L	98.3	Very high	97	Very high	21 Å²	21	44.6 Å²	44.6	11%	0.11	23%	0.233	C	C	.	.			trans	-81.3	132.4	-179.4	-50.3	-176.8	0	0	0	111.8	A375 M405 G448 L449 A452 R477 I481	A375-L407 HydrophobicContact CB-CD1 4.36Å; A375-L407 WeakPolarHBondContact O-CA 3.43Å; A375-L407 WeakPolarHBondContact O-CB 3.46Å; A375-L407 WeakPolarHBondContact O-CG 3.41Å; A375-L407 PolarHBondContact O-N 3.01Å; M405-L407 VanDerWaalsContact C-N 3.26Å; M405-L407 HydrophobicContact CB-CD1 4.38Å; M405-L407 HydrophobicContact CB-CD2 4.43Å; M405-L407 HydrophobicContact CB-CG 3.9Å; M405-L407 PolarHBondContact O-N 3.44Å; L407-G448 VanDerWaalsContact CD2-C 3.49Å; L407-L449 HydrophobicContact CD1-CB 4.43Å; L407-L449 HydrophobicContact CD1-CD1 3.73Å; L407-A452 HydrophobicContact CD1-CB 4.19Å; L407-R477 PolarHBondContact O-NH1 3.03Å; L407-I481 HydrophobicContact CD1-CD1 3.95Å; L407-I481 HydrophobicContact CD1-CG1 4.3Å
408	G	96.3	Very high	96.9	Very high	23 Å²	23	48.3 Å²	48.3	24%	0.237	25%	0.251	C	S	.	.			trans	-56.8	149.7	178.1	0	0	0	0	0	113.4	R477	G408-R477 WeakPolarHBondContact O-CD 3.03Å
409	N	96.7	Very high	97.1	Very high	31 Å²	31	45.1 Å²	45.1	17%	0.166	23%	0.232	C	C	.	.			trans	-81.7	179	176.9	66	16.5	0	0	0	112.5	H411 A412 I413 D859	N409-H411 PolarHBondContact O-N 2.76Å; N409-H411 VanDerWaalsContact O-N 3.09Å; N409-H411 WeakPolarHBondContact OD1-CB 3.44Å; N409-H411 PolarHBondContact OD1-N 3.14Å; N409-A412 WeakPolarHBondContact O-CB 3.13Å; N409-A412 PolarHBondContact O-N 3.49Å; N409-A412 PolarHBondContact OD1-N 2.99Å; N409-I413 WeakPolarHBondContact O-CG1 3.4Å; N409-I413 PolarHBondContact O-N 2.91Å; N409-D859 WeakPolarHBondContact CB-OD2 3.33Å; N409-D859 WeakPolarHBondContact ND2-CB 3.36Å; N409-D859 PolarHBondContact ND2-OD2 3.13Å
410	I	96.9	Very high	97.2	Very high	17 Å²	17	44.2 Å²	44.2	9%	0.087	23%	0.226	C	C	.	.	H	α-helix	trans	-57.3	-28.2	-177.8	62.1	170	0	0	0	113.3	R414 D476 C531 V533	I410-R414 VanDerWaalsContact O-CB 3.24Å; I410-R414 WeakPolarHBondContact O-CB 3.28Å; I410-R414 PolarHBondContact O-N 3.26Å; I410-D476 HydrophobicContact CG2-CB 4.38Å; I410-D476 WeakPolarHBondContact CG2-OD2 3.23Å; I410-C531 VanDerWaalsContact CA-SG 3.6Å; I410-C531 HydrophobicContact CB-CB 3.85Å; I410-C531 HydrophobicContact CG2-CB 4.19Å; I410-C531 PolarHBondContact O-SG 3.29Å; I410-V533 HydrophobicContact CG2-CG2 4.15Å
411	H	96.3	Very high	97.1	Very high	39 Å²	39	45.7 Å²	45.7	18%	0.181	23%	0.231	C	C	.	.	H	α-helix	trans	-75.4	-40.7	177.2	-54.2	-35.3	0	0	0	111.9	N409 R414 K415 N528 S857	N409-H411 PolarHBondContact O-N 2.76Å; N409-H411 VanDerWaalsContact O-N 3.09Å; N409-H411 WeakPolarHBondContact OD1-CB 3.44Å; N409-H411 PolarHBondContact OD1-N 3.14Å; H411-R414 PolarHBondContact ND1-NH2 3.37Å; H411-R414 VanDerWaalsContact ND1-NH2 3.15Å; H411-R414 PolarHBondContact O-N 3.06Å; H411-K415 WeakPolarHBondContact O-CB 3.5Å; H411-K415 PolarHBondContact O-N 3.16Å; H411-N528 PolarHBondContact CE1-O 2.88Å; H411-N528 VanDerWaalsContact CE1-O 3.31Å; H411-S857 PolarHBondContact NE2-OG 3.41Å
412	A	97.6	Very high	96.8	Very high	34 Å²	34	47.8 Å²	47.8	28%	0.281	24%	0.241	S	C	.	.	H	α-helix	trans	-62	-47.3	172.3	0	0	0	0	0	111.3	N409 K415 S416	N409-A412 WeakPolarHBondContact O-CB 3.13Å; N409-A412 PolarHBondContact O-N 3.49Å; N409-A412 PolarHBondContact OD1-N 2.99Å; A412-K415 PolarHBondContact O-N 2.79Å; A412-S416 WeakPolarHBondContact O-CB 3.44Å; A412-S416 PolarHBondContact O-N 2.86Å
413	I	98.3	Very high	96.5	Very high	10 Å²	10	46 Å²	46	5%	0.051	23%	0.232	C	C	.	.	H	α-helix	trans	-66.5	-39	178.6	-57.1	-46.5	0	0	0	111.6	N409 S416 F417 W442 H445 P532	N409-I413 WeakPolarHBondContact O-CG1 3.4Å; N409-I413 PolarHBondContact O-N 2.91Å; I413-S416 PolarHBondContact O-N 3.44Å; I413-F417 WeakPolarHBondContact O-CB 3.28Å; I413-F417 PolarHBondContact O-N 3.34Å; I413-W442 HydrophobicContact CG2-CZ3 3.99Å; I413-H445 HydrophobicContact CD1-CB 3.94Å; I413-P532 HydrophobicContact CG2-CG 4.33Å
414	R	96.9	Very high	96.1	Very high	51 Å²	51	42.5 Å²	42.5	19%	0.192	22%	0.216	C	C	.	.	H	α-helix	trans	-60.5	-45.3	171.7	174.6	169.4	61.7	-110.8	10.6	111.6	I410 H411 F417 H418 N528 R530	I410-R414 VanDerWaalsContact O-CB 3.24Å; I410-R414 WeakPolarHBondContact O-CB 3.28Å; I410-R414 PolarHBondContact O-N 3.26Å; H411-R414 PolarHBondContact ND1-NH2 3.37Å; H411-R414 VanDerWaalsContact ND1-NH2 3.15Å; H411-R414 PolarHBondContact O-N 3.06Å; R414-F417 PolarHBondContact O-N 3.05Å; R414-H418 WeakPolarHBondContact O-CB 3.36Å; R414-H418 PolarHBondContact O-N 3.49Å; R414-N528 PolarHBondContact NH1-O 2.79Å; R414-N528 PolarHBondContact NH2-O 2.88Å; R414-N528 VanDerWaalsContact NH2-O 3.07Å; R414-N528 PolarHBondContact NH2-OD1 3.27Å; R414-N528 VanDerWaalsContact NH2-OD1 3.11Å; R414-R530 WeakPolarHBondContact CD-O 3.32Å; R414-R530 PolarHBondContact NH1-O 2.9Å
415	K	97.3	Very high	95.5	Very high	170 Å²	170	40.9 Å²	40.9	74%	0.739	21%	0.213	S	C	*	.	H	α-helix	trans	-62.8	-46.4	178.8	-175.8	-177.5	177.1	-175	0	111.4	H411 A412 H418 A419	H411-K415 WeakPolarHBondContact O-CB 3.5Å; H411-K415 PolarHBondContact O-N 3.16Å; A412-K415 PolarHBondContact O-N 2.79Å; K415-H418 PolarHBondContact O-N 3.37Å; K415-A419 PolarHBondContact O-N 2.95Å
416	S	98.6	Very high	94.8	Very high	7 Å²	7	40.9 Å²	40.9	5%	0.049	22%	0.216	C	C	.	.	H	α-helix	trans	-57.5	-52.5	175.9	173.8	0	0	0	0	111.5	A412 I413 H418 A419 V420 T440 W442 H445	A412-S416 WeakPolarHBondContact O-CB 3.44Å; A412-S416 PolarHBondContact O-N 2.86Å; I413-S416 PolarHBondContact O-N 3.44Å; S416-H418 VanDerWaalsContact C-N 3.34Å; S416-H418 PolarHBondContact O-N 2.86Å; S416-A419 WeakPolarHBondContact O-CB 3.44Å; S416-A419 PolarHBondContact O-N 3.36Å; S416-A419 VanDerWaalsContact O-N 3.1Å; S416-V420 PolarHBondContact O-N 3.25Å; S416-T440 VanDerWaalsContact CA-O 3.28Å; S416-T440 WeakPolarHBondContact CA-O 3.47Å; S416-T440 WeakPolarHBondContact CB-O 3.38Å; S416-T440 PolarHBondContact OG-O 3.38Å; S416-W442 WeakPolarHBondContact OG-CA 3.46Å; S416-W442 PolarHBondContact OG-N 2.96Å; S416-H445 PolarHBondContact OG-CD2 3.36Å
417	F	97.3	Very high	93.8	Very high	6 Å²	6	38.1 Å²	38.1	3%	0.026	21%	0.206	C	C	.	.	H	α-helix	trans	-67.9	-31.5	-179.6	-165.7	-107.6	0	0	0	113	K95 A97 I413 R414 A419 V420 R421 W442 P532 L535 Y632	K95-F417 WeakPolarHBondContact O-CE1 3.43Å; A97-F417 HydrophobicContact CB-CE1 4.17Å; A97-F417 HydrophobicContact CB-CE2 4.18Å; A97-F417 HydrophobicContact CB-CZ 3.64Å; I413-F417 WeakPolarHBondContact O-CB 3.28Å; I413-F417 PolarHBondContact O-N 3.34Å; R414-F417 PolarHBondContact O-N 3.05Å; F417-A419 VanDerWaalsContact C-N 3.28Å; F417-A419 PolarHBondContact O-N 2.88Å; F417-V420 HydrophobicContact CD2-CB 4.25Å; F417-V420 HydrophobicContact CE2-CG1 4.48Å; F417-V420 CarbonylContact O-C 3.56Å; F417-V420 WeakPolarHBondContact O-CA 3.38Å; F417-V420 WeakPolarHBondContact O-CB 3.49Å; F417-V420 PolarHBondContact O-N 3.15Å; F417-V420 VanDerWaalsContact O-N 3.12Å; F417-R421 HydrophobicContact CD1-CG 4.09Å; F417-R421 HydrophobicContact CE1-CG 3.96Å; F417-R421 WeakPolarHBondContact O-CG 3.39Å; F417-R421 PolarHBondContact O-N 2.89Å; F417-W442 HydrophobicContact CB-CE3 4.23Å; F417-W442 HydrophobicContact CB-CH2 4.48Å; F417-W442 HydrophobicContact CB-CZ3 3.79Å; F417-W442 HydrophobicContact CD2-CD2 4.39Å; F417-W442 HydrophobicContact CD2-CE3 4.01Å; F417-W442 AromaticContact CD2-CH2 3.59Å; F417-W442 HydrophobicContact CD2-CH2 3.59Å; F417-W442 HydrophobicContact CD2-CZ2 4.02Å; F417-W442 AromaticContact CD2-CZ3 3.61Å; F417-W442 HydrophobicContact CD2-CZ3 3.61Å; F417-W442 HydrophobicContact CE2-CH2 4.22Å; F417-W442 HydrophobicContact CE2-CZ2 4.32Å; F417-W442 HydrophobicContact CG-CH2 4.37Å; F417-W442 HydrophobicContact CG-CZ3 4.12Å; F417-P532 HydrophobicContact CB-CG 3.7Å; F417-P532 HydrophobicContact CD1-CB 4.16Å; F417-P532 HydrophobicContact CD1-CG 3.74Å; F417-P532 HydrophobicContact CD2-CG 4.17Å; F417-P532 HydrophobicContact CE1-CB 4.32Å; F417-P532 HydrophobicContact CE1-CG 4.38Å; F417-P532 HydrophobicContact CG-CB 4.33Å; F417-P532 HydrophobicContact CG-CG 3.61Å; F417-L535 HydrophobicContact CE1-CD2 4.44Å; F417-L535 HydrophobicContact CE2-CD2 4.12Å; F417-L535 HydrophobicContact CZ-CD2 3.66Å; F417-Y632 HydrophobicContact CE2-CD1 4.19Å; F417-Y632 AromaticContact CE2-CE1 3.74Å; F417-Y632 HydrophobicContact CE2-CE1 3.74Å; F417-Y632 HydrophobicContact CZ-CD1 4.46Å; F417-Y632 HydrophobicContact CZ-CE1 4.22Å
418	H	95.3	Very high	92.6	Very high	83 Å²	83	39.9 Å²	39.9	38%	0.384	22%	0.219	S	C	.	.	H	α-helix	trans	-62	-37.2	172	-173.5	80.7	0	0	0	111.8	R414 K415 S416 R421 Q422	R414-H418 WeakPolarHBondContact O-CB 3.36Å; R414-H418 PolarHBondContact O-N 3.49Å; K415-H418 PolarHBondContact O-N 3.37Å; S416-H418 VanDerWaalsContact C-N 3.34Å; S416-H418 PolarHBondContact O-N 2.86Å; H418-R421 PolarHBondContact O-N 2.95Å; H418-Q422 PolarHBondContact CD2-NE2 2.92Å; H418-Q422 VanDerWaalsContact CD2-NE2 3.25Å; H418-Q422 PolarHBondContact NE2-NE2 3.46Å; H418-Q422 WeakPolarHBondContact O-CG 3.38Å; H418-Q422 PolarHBondContact O-N 2.86Å
419	A	96.6	Very high	91.9	Very high	28 Å²	28	44.5 Å²	44.5	23%	0.231	24%	0.238	C	C	.	.	H	α-helix	trans	-67	-37	171.2	0	0	0	0	0	112.2	K415 S416 F417 R421 Q422 L423 T440	K415-A419 PolarHBondContact O-N 2.95Å; S416-A419 WeakPolarHBondContact O-CB 3.44Å; S416-A419 PolarHBondContact O-N 3.36Å; S416-A419 VanDerWaalsContact O-N 3.1Å; F417-A419 VanDerWaalsContact C-N 3.28Å; F417-A419 PolarHBondContact O-N 2.88Å; A419-R421 VanDerWaalsContact C-N 3.32Å; A419-R421 PolarHBondContact O-N 2.99Å; A419-Q422 PolarHBondContact O-N 3.29Å; A419-L423 WeakPolarHBondContact O-CB 3.24Å; A419-L423 PolarHBondContact O-N 2.91Å; A419-T440 HydrophobicContact CB-CG2 3.92Å
420	V	95.9	Very high	91.2	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.3	-42.1	169.8	178.7	0	0	0	0	111.2	A97 S416 F417 L423 C424 T440 W442 F627	A97-V420 HydrophobicContact CB-CG1 4.34Å; S416-V420 PolarHBondContact O-N 3.25Å; F417-V420 HydrophobicContact CD2-CB 4.25Å; F417-V420 HydrophobicContact CE2-CG1 4.48Å; F417-V420 CarbonylContact O-C 3.56Å; F417-V420 WeakPolarHBondContact O-CA 3.38Å; F417-V420 WeakPolarHBondContact O-CB 3.49Å; F417-V420 PolarHBondContact O-N 3.15Å; F417-V420 VanDerWaalsContact O-N 3.12Å; V420-L423 WeakPolarHBondContact O-CB 3.36Å; V420-L423 PolarHBondContact O-N 3.21Å; V420-C424 WeakPolarHBondContact O-CB 3.4Å; V420-C424 PolarHBondContact O-N 3.29Å; V420-C424 PolarHBondContact O-SG 3.42Å; V420-T440 HydrophobicContact CG2-CG2 3.94Å; V420-W442 HydrophobicContact CG2-CB 3.63Å; V420-W442 HydrophobicContact CG2-CD2 4.23Å; V420-W442 HydrophobicContact CG2-CE3 4.5Å; V420-W442 HydrophobicContact CG2-CG 3.87Å; V420-F627 HydrophobicContact CG1-CE2 3.87Å; V420-F627 HydrophobicContact CG1-CZ 3.95Å
421	R	92.4	Very high	90.9	Very high	36 Å²	36	50.7 Å²	50.7	14%	0.136	28%	0.279	C	S	.	.	H	α-helix	trans	-63.2	-45.7	176	-66.1	-160.6	-84	137.1	-24.4	112.6	E80 C94 A97 F417 H418 A419 L423 C424 A425	E80-R421 VanDerWaalsContact CG-NH1 3.29Å; E80-R421 IonicContact OE1-CZ 2.99Å; E80-R421 IonicContact OE1-NH1 3.4Å; E80-R421 IonicContact OE1-NH2 2.73Å; E80-R421 PolarHBondContact OE1-NH2 3.44Å; C94-R421 WeakPolarHBondContact O-CD 3.49Å; A97-R421 HydrophobicContact CB-CG 3.7Å; F417-R421 HydrophobicContact CD1-CG 4.09Å; F417-R421 HydrophobicContact CE1-CG 3.96Å; F417-R421 WeakPolarHBondContact O-CG 3.39Å; F417-R421 PolarHBondContact O-N 2.89Å; H418-R421 PolarHBondContact O-N 2.95Å; A419-R421 VanDerWaalsContact C-N 3.32Å; A419-R421 PolarHBondContact O-N 2.99Å; R421-L423 VanDerWaalsContact C-N 3.28Å; R421-L423 PolarHBondContact O-N 3.35Å; R421-C424 PolarHBondContact O-N 2.86Å; R421-A425 WeakPolarHBondContact O-CB 3.36Å; R421-A425 PolarHBondContact O-N 3.07Å
422	Q	90.9	Very high	90.7	Very high	120 Å²	120	52.8 Å²	52.8	56%	0.561	29%	0.291	S	S	*	.	H	α-helix	trans	-59.8	-40.4	175.5	-71.1	179.5	-2.1	0	0	111.8	H418 A419 A425 S426	H418-Q422 PolarHBondContact CD2-NE2 2.92Å; H418-Q422 VanDerWaalsContact CD2-NE2 3.25Å; H418-Q422 PolarHBondContact NE2-NE2 3.46Å; H418-Q422 WeakPolarHBondContact O-CG 3.38Å; H418-Q422 PolarHBondContact O-N 2.86Å; A419-Q422 PolarHBondContact O-N 3.29Å; Q422-A425 PolarHBondContact O-N 3.18Å; Q422-S426 PolarHBondContact O-N 3.19Å
423	L	91.9	Very high	90.4	Very high	5 Å²	5	53 Å²	53	3%	0.026	29%	0.285	C	S	.	.	H	α-helix	trans	-65.1	-48.9	175.6	-178	59.1	0	0	0	111.7	A419 V420 R421 A425 S426 W433 Q436 L437 T440	A419-L423 WeakPolarHBondContact O-CB 3.24Å; A419-L423 PolarHBondContact O-N 2.91Å; V420-L423 WeakPolarHBondContact O-CB 3.36Å; V420-L423 PolarHBondContact O-N 3.21Å; R421-L423 VanDerWaalsContact C-N 3.28Å; R421-L423 PolarHBondContact O-N 3.35Å; L423-A425 PolarHBondContact O-N 3.41Å; L423-S426 WeakPolarHBondContact O-CB 3.14Å; L423-S426 PolarHBondContact O-N 2.66Å; L423-S426 PolarHBondContact O-OG 3.38Å; L423-S426 VanDerWaalsContact O-OG 3.08Å; L423-W433 HydrophobicContact CD1-CD2 3.87Å; L423-W433 HydrophobicContact CD1-CE3 3.49Å; L423-W433 VanDerWaalsContact CD1-CE3 3.49Å; L423-W433 HydrophobicContact CD1-CH2 3.96Å; L423-W433 HydrophobicContact CD1-CZ2 4.29Å; L423-W433 HydrophobicContact CD1-CZ3 3.55Å; L423-W433 HydrophobicContact CD2-CZ2 4.23Å; L423-W433 HydrophobicContact CG-CD2 4.31Å; L423-W433 HydrophobicContact CG-CE3 4.12Å; L423-W433 HydrophobicContact CG-CH2 3.66Å; L423-W433 HydrophobicContact CG-CZ2 3.85Å; L423-W433 HydrophobicContact CG-CZ3 3.81Å; L423-W433 WeakPolarHBondContact O-CH2 3.37Å; L423-W433 WeakPolarHBondContact O-CZ3 3.47Å; L423-Q436 HydrophobicContact CD1-CB 3.7Å; L423-L437 VanDerWaalsContact CD2-CA 3.49Å; L423-L437 HydrophobicContact CD2-CB 3.81Å; L423-L437 HydrophobicContact CD2-CD1 4.04Å; L423-T440 HydrophobicContact CD2-CG2 4.06Å
424	C	89.9	Confident	90.1	Very high	4 Å²	4	61.5 Å²	61.5	3%	0.027	32%	0.318	C	S	.	.	H	α-helix	trans	-61.7	-25.9	176.6	-62.3	0	0	0	0	113.2	A97 V420 R421 Y632 L633	A97-C424 WeakPolarHBondContact O-CB 3.34Å; V420-C424 WeakPolarHBondContact O-CB 3.4Å; V420-C424 PolarHBondContact O-N 3.29Å; V420-C424 PolarHBondContact O-SG 3.42Å; R421-C424 PolarHBondContact O-N 2.86Å; C424-Y632 WeakPolarHBondContact CB-O 3.41Å; C424-Y632 PolarHBondContact SG-O 3.13Å; C424-Y632 VanDerWaalsContact SG-O 3.39Å; C424-L633 HydrophobicContact CB-CD2 3.96Å
425	A	84.9	Confident	90	Very high	25 Å²	25	60.1 Å²	60.1	21%	0.207	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-4.4	174.8	0	0	0	0	0	114.3	T99 R101 R421 Q422 L423	T99-A425 HydrophobicContact CG2-CB 4.4Å; R101-A425 PolarHBondContact NH1-O 3.11Å; R101-A425 PolarHBondContact NH2-O 3.25Å; R421-A425 WeakPolarHBondContact O-CB 3.36Å; R421-A425 PolarHBondContact O-N 3.07Å; Q422-A425 PolarHBondContact O-N 3.18Å; L423-A425 PolarHBondContact O-N 3.41Å
426	S	84.1	Confident	89.8	Confident	27 Å²	27	55 Å²	55	19%	0.189	30%	0.297	C	S	.	.	S	Bend	trans	-77.1	-172.4	178.9	89.1	0	0	0	0	112.8	R101 Q422 L423 N638	R101-S426 PolarHBondContact NH2-O 3.47Å; Q422-S426 PolarHBondContact O-N 3.19Å; L423-S426 WeakPolarHBondContact O-CB 3.14Å; L423-S426 PolarHBondContact O-N 2.66Å; L423-S426 PolarHBondContact O-OG 3.38Å; L423-S426 VanDerWaalsContact O-OG 3.08Å; S426-N638 PolarHBondContact O-ND2 3.14Å
427	S	78.5	Confident	89.6	Confident	63 Å²	63	55.5 Å²	55.5	44%	0.441	30%	0.299	S	S	.	.			trans	-74.5	139.2	177.2	-165.7	0	0	0	0	110.7	D429 D430	S427-D429 PolarHBondContact O-N 2.85Å; S427-D430 PolarHBondContact O-N 3.42Å
428	P	72.4	Confident	89.6	Confident	59 Å²	59	61.3 Å²	61.3	38%	0.383	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-27	173	26.3	-34.6	0	0	0	112.9	D430 N638	P428-D430 VanDerWaalsContact C-N 3.31Å; P428-D430 PolarHBondContact O-N 3.31Å; P428-N638 HydrophobicContact CB-CB 4.5Å
429	D	80.6	Confident	89.7	Confident	119 Å²	119	64.7 Å²	64.7	64%	0.636	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	17.8	-177.3	-52.8	-62.3	0	0	0	114.1	S427 P431	S427-D429 PolarHBondContact O-N 2.85Å; D429-P431 VanDerWaalsContact O-CD 3.24Å; D429-P431 WeakPolarHBondContact O-CD 3.39Å
430	D	83.5	Confident	89.7	Confident	43 Å²	43	63.6 Å²	63.6	23%	0.23	33%	0.331	C	S	.	.			trans	-70.1	111.3	-178.8	-168.6	-49.4	0	0	0	111.6	S427 P428 N432 W433 Q436	S427-D430 PolarHBondContact O-N 3.42Å; P428-D430 VanDerWaalsContact C-N 3.31Å; P428-D430 PolarHBondContact O-N 3.31Å; D430-N432 PolarHBondContact O-N 3.41Å; D430-N432 VanDerWaalsContact O-N 3.12Å; D430-N432 WeakPolarHBondContact OD1-CA 3.32Å; D430-N432 WeakPolarHBondContact OD1-CB 3.49Å; D430-N432 PolarHBondContact OD1-N 3.31Å; D430-W433 WeakPolarHBondContact O-CB 3.33Å; D430-W433 PolarHBondContact O-N 3.07Å; D430-W433 VanDerWaalsContact O-N 3.15Å; D430-W433 PolarHBondContact OD1-N 3.11Å; D430-Q436 PolarHBondContact OD1-NE2 3.5Å; D430-Q436 PolarHBondContact OD2-NE2 2.78Å
431	P	89.2	Confident	89.8	Confident	136 Å²	136	67.9 Å²	67.9	88%	0.883	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-11.7	-175.2	31.1	-36.6	0	0	0	113	D429	D429-P431 VanDerWaalsContact O-CD 3.24Å; D429-P431 WeakPolarHBondContact O-CD 3.39Å
432	N	92.4	Very high	90.1	Very high	82 Å²	82	66.1 Å²	66.1	44%	0.439	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	17.6	178.7	-165.8	20.9	0	0	0	112	D430 Y434 G435 Q436	D430-N432 PolarHBondContact O-N 3.41Å; D430-N432 VanDerWaalsContact O-N 3.12Å; D430-N432 WeakPolarHBondContact OD1-CA 3.32Å; D430-N432 WeakPolarHBondContact OD1-CB 3.49Å; D430-N432 PolarHBondContact OD1-N 3.31Å; N432-Y434 VanDerWaalsContact C-N 3.31Å; N432-Y434 PolarHBondContact O-N 3.19Å; N432-G435 PolarHBondContact O-N 3.47Å; N432-G435 VanDerWaalsContact O-N 3.08Å; N432-Q436 PolarHBondContact O-N 2.83Å
433	W	91	Very high	90.5	Very high	40 Å²	40	61 Å²	61	15%	0.152	32%	0.321	C	S	.	.	H	α-helix	trans	-46.6	-50.4	-179.1	-178.8	-93.6	0	0	0	113.3	L423 D430 Q436 L437 F627 L633	L423-W433 HydrophobicContact CD1-CD2 3.87Å; L423-W433 HydrophobicContact CD1-CE3 3.49Å; L423-W433 VanDerWaalsContact CD1-CE3 3.49Å; L423-W433 HydrophobicContact CD1-CH2 3.96Å; L423-W433 HydrophobicContact CD1-CZ2 4.29Å; L423-W433 HydrophobicContact CD1-CZ3 3.55Å; L423-W433 HydrophobicContact CD2-CZ2 4.23Å; L423-W433 HydrophobicContact CG-CD2 4.31Å; L423-W433 HydrophobicContact CG-CE3 4.12Å; L423-W433 HydrophobicContact CG-CH2 3.66Å; L423-W433 HydrophobicContact CG-CZ2 3.85Å; L423-W433 HydrophobicContact CG-CZ3 3.81Å; L423-W433 WeakPolarHBondContact O-CH2 3.37Å; L423-W433 WeakPolarHBondContact O-CZ3 3.47Å; D430-W433 WeakPolarHBondContact O-CB 3.33Å; D430-W433 PolarHBondContact O-N 3.07Å; D430-W433 VanDerWaalsContact O-N 3.15Å; D430-W433 PolarHBondContact OD1-N 3.11Å; W433-Q436 PolarHBondContact O-N 3.02Å; W433-L437 WeakPolarHBondContact O-CB 3.48Å; W433-L437 PolarHBondContact O-N 3.07Å; W433-F627 HydrophobicContact CZ2-CE1 4.42Å; W433-L633 HydrophobicContact CH2-CD2 4.09Å; W433-L633 HydrophobicContact CZ2-CD2 4.37Å
434	Y	91.8	Very high	90.8	Very high	188 Å²	188	63 Å²	63	74%	0.737	33%	0.331	S	S	*	.	H	α-helix	trans	-66.9	-38.6	-179.2	-64.8	-72.8	0	0	0	113.1	N432 Q436 L437 E438	N432-Y434 VanDerWaalsContact C-N 3.31Å; N432-Y434 PolarHBondContact O-N 3.19Å; Y434-Q436 PolarHBondContact O-N 3.34Å; Y434-L437 PolarHBondContact O-N 3.16Å; Y434-E438 PolarHBondContact O-N 2.72Å
435	G	94.6	Very high	91.2	Very high	21 Å²	21	64.9 Å²	64.9	22%	0.216	34%	0.339	C	S	.	.	H	α-helix	trans	-71.9	-17.1	175.6	0	0	0	0	0	113.5	N432 K439	N432-G435 PolarHBondContact O-N 3.47Å; N432-G435 VanDerWaalsContact O-N 3.08Å; G435-K439 VanDerWaalsContact O-CD 3.25Å; G435-K439 WeakPolarHBondContact O-CD 3.28Å; G435-K439 WeakPolarHBondContact O-CE 3.47Å; G435-K439 VanDerWaalsContact O-CG 3.27Å; G435-K439 WeakPolarHBondContact O-CG 3.15Å
436	Q	94.6	Very high	91.9	Very high	62 Å²	62	63.7 Å²	63.7	29%	0.29	33%	0.329	S	S	.	.	H	α-helix	trans	-86.8	-39.5	167.8	-68	-177	80.3	0	0	111.7	L423 D430 N432 W433 Y434 E438 K439 T440	L423-Q436 HydrophobicContact CD1-CB 3.7Å; D430-Q436 PolarHBondContact OD1-NE2 3.5Å; D430-Q436 PolarHBondContact OD2-NE2 2.78Å; N432-Q436 PolarHBondContact O-N 2.83Å; W433-Q436 PolarHBondContact O-N 3.02Å; Y434-Q436 PolarHBondContact O-N 3.34Å; Q436-E438 VanDerWaalsContact C-N 3.31Å; Q436-E438 PolarHBondContact O-N 3.45Å; Q436-K439 WeakPolarHBondContact O-CB 3.36Å; Q436-K439 PolarHBondContact O-N 3.49Å; Q436-K439 VanDerWaalsContact O-N 3.13Å; Q436-T440 WeakPolarHBondContact O-CG2 3.41Å; Q436-T440 PolarHBondContact O-N 3.35Å
437	L	94.7	Very high	92.6	Very high	18 Å²	18	63.5 Å²	63.5	9%	0.094	33%	0.328	C	S	.	.	H	α-helix	trans	-56.8	-44.7	173	-180	59	0	0	0	111.3	L423 W433 Y434 K439 T440 M443 F627	L423-L437 VanDerWaalsContact CD2-CA 3.49Å; L423-L437 HydrophobicContact CD2-CB 3.81Å; L423-L437 HydrophobicContact CD2-CD1 4.04Å; W433-L437 WeakPolarHBondContact O-CB 3.48Å; W433-L437 PolarHBondContact O-N 3.07Å; Y434-L437 PolarHBondContact O-N 3.16Å; L437-K439 VanDerWaalsContact C-N 3.33Å; L437-K439 PolarHBondContact O-N 2.88Å; L437-T440 WeakPolarHBondContact O-CB 3.44Å; L437-T440 PolarHBondContact O-N 3.45Å; L437-T440 VanDerWaalsContact O-N 3.12Å; L437-T440 PolarHBondContact O-OG1 3.03Å; L437-M443 HydrophobicContact CD1-CG 4.49Å; L437-M443 HydrophobicContact CG-CG 4.46Å; L437-F627 HydrophobicContact CD1-CD2 3.58Å; L437-F627 HydrophobicContact CD1-CE2 3.74Å; L437-F627 HydrophobicContact CD1-CG 4.46Å; L437-F627 HydrophobicContact CD2-CB 4.31Å; L437-F627 HydrophobicContact CD2-CD2 4.27Å; L437-F627 HydrophobicContact CD2-CG 4.45Å
438	E	95.9	Very high	93.5	Very high	128 Å²	128	62 Å²	62	60%	0.598	32%	0.322	S	S	*	.	H	α-helix	trans	-58.1	-43.9	175.5	-175.4	172.2	-149.1	0	0	112	Y434 Q436 T440 M441 Q444	Y434-E438 PolarHBondContact O-N 2.72Å; Q436-E438 VanDerWaalsContact C-N 3.31Å; Q436-E438 PolarHBondContact O-N 3.45Å; E438-T440 PolarHBondContact O-N 2.97Å; E438-M441 PolarHBondContact O-N 2.79Å; E438-Q444 PolarHBondContact O-NE2 3.01Å
439	K	97.3	Very high	94.8	Very high	155 Å²	155	59.3 Å²	59.3	67%	0.674	31%	0.305	S	S	*	.	H	α-helix	trans	-65.6	-17.9	177.7	-69.6	168.9	-170.9	172.3	0	113.9	G435 Q436 L437 M441	G435-K439 VanDerWaalsContact O-CD 3.25Å; G435-K439 WeakPolarHBondContact O-CD 3.28Å; G435-K439 WeakPolarHBondContact O-CE 3.47Å; G435-K439 VanDerWaalsContact O-CG 3.27Å; G435-K439 WeakPolarHBondContact O-CG 3.15Å; Q436-K439 WeakPolarHBondContact O-CB 3.36Å; Q436-K439 PolarHBondContact O-N 3.49Å; Q436-K439 VanDerWaalsContact O-N 3.13Å; L437-K439 VanDerWaalsContact C-N 3.33Å; L437-K439 PolarHBondContact O-N 2.88Å; K439-M441 PolarHBondContact O-N 3.43Å
440	T	98.1	Very high	95.6	Very high	5 Å²	5	53.7 Å²	53.7	3%	0.031	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-22.1	172.1	73.3	0	0	0	0	112.5	S416 A419 V420 L423 Q436 L437 E438 W442	S416-T440 VanDerWaalsContact CA-O 3.28Å; S416-T440 WeakPolarHBondContact CA-O 3.47Å; S416-T440 WeakPolarHBondContact CB-O 3.38Å; S416-T440 PolarHBondContact OG-O 3.38Å; A419-T440 HydrophobicContact CB-CG2 3.92Å; V420-T440 HydrophobicContact CG2-CG2 3.94Å; L423-T440 HydrophobicContact CD2-CG2 4.06Å; Q436-T440 WeakPolarHBondContact O-CG2 3.41Å; Q436-T440 PolarHBondContact O-N 3.35Å; L437-T440 WeakPolarHBondContact O-CB 3.44Å; L437-T440 PolarHBondContact O-N 3.45Å; L437-T440 VanDerWaalsContact O-N 3.12Å; L437-T440 PolarHBondContact O-OG1 3.03Å; E438-T440 PolarHBondContact O-N 2.97Å; T440-W442 PolarHBondContact O-N 3.32Å; T440-W442 VanDerWaalsContact O-N 3.12Å; T440-W442 WeakPolarHBondContact OG1-CB 3.49Å; T440-W442 PolarHBondContact OG1-N 3.37Å; T440-W442 VanDerWaalsContact OG1-N 3.15Å
441	M	98.3	Very high	96.4	Very high	89 Å²	89	52.4 Å²	52.4	44%	0.438	27%	0.272	S	S	.	.			trans	58.7	8.1	-169.6	-58.2	-63.2	-71.1	0	0	115.5	E438 K439 M443 Q444 H445	E438-M441 PolarHBondContact O-N 2.79Å; K439-M441 PolarHBondContact O-N 3.43Å; M441-M443 PolarHBondContact O-N 2.83Å; M441-Q444 VanDerWaalsContact C-OE1 3.27Å; M441-Q444 VanDerWaalsContact CA-OE1 3.26Å; M441-Q444 HydrophobicContact CE-CB 3.88Å; M441-Q444 HydrophobicContact CE-CG 3.84Å; M441-Q444 WeakPolarHBondContact O-CB 3.24Å; M441-Q444 PolarHBondContact O-N 3.43Å; M441-Q444 PolarHBondContact O-OE1 2.89Å; M441-Q444 HydrophobicContact SD-CG 4.18Å; M441-H445 PolarHBondContact O-CD2 2.96Å; M441-H445 VanDerWaalsContact O-CD2 3.29Å; M441-H445 PolarHBondContact O-N 2.87Å
442	W	98.4	Very high	96.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.8	-48.6	-174.8	-174.4	-106.5	0	0	0	112.2	I413 S416 F417 V420 T440 Q444 H445 L446 P532 Q536 D539 Y632	I413-W442 HydrophobicContact CG2-CZ3 3.99Å; S416-W442 WeakPolarHBondContact OG-CA 3.46Å; S416-W442 PolarHBondContact OG-N 2.96Å; F417-W442 HydrophobicContact CB-CE3 4.23Å; F417-W442 HydrophobicContact CB-CH2 4.48Å; F417-W442 HydrophobicContact CB-CZ3 3.79Å; F417-W442 HydrophobicContact CD2-CD2 4.39Å; F417-W442 HydrophobicContact CD2-CE3 4.01Å; F417-W442 AromaticContact CD2-CH2 3.59Å; F417-W442 HydrophobicContact CD2-CH2 3.59Å; F417-W442 HydrophobicContact CD2-CZ2 4.02Å; F417-W442 AromaticContact CD2-CZ3 3.61Å; F417-W442 HydrophobicContact CD2-CZ3 3.61Å; F417-W442 HydrophobicContact CE2-CH2 4.22Å; F417-W442 HydrophobicContact CE2-CZ2 4.32Å; F417-W442 HydrophobicContact CG-CH2 4.37Å; F417-W442 HydrophobicContact CG-CZ3 4.12Å; V420-W442 HydrophobicContact CG2-CB 3.63Å; V420-W442 HydrophobicContact CG2-CD2 4.23Å; V420-W442 HydrophobicContact CG2-CE3 4.5Å; V420-W442 HydrophobicContact CG2-CG 3.87Å; T440-W442 PolarHBondContact O-N 3.32Å; T440-W442 VanDerWaalsContact O-N 3.12Å; T440-W442 WeakPolarHBondContact OG1-CB 3.49Å; T440-W442 PolarHBondContact OG1-N 3.37Å; T440-W442 VanDerWaalsContact OG1-N 3.15Å; W442-Q444 VanDerWaalsContact C-N 3.26Å; W442-Q444 PolarHBondContact O-N 3.44Å; W442-H445 PolarHBondContact O-N 3.28Å; W442-H445 VanDerWaalsContact O-N 3.13Å; W442-L446 PolarHBondContact O-N 3.35Å; W442-P532 HydrophobicContact CH2-CG 4.36Å; W442-P532 HydrophobicContact CZ3-CG 4.49Å; W442-Q536 HydrophobicContact CH2-CB 3.61Å; W442-Q536 HydrophobicContact CH2-CG 3.72Å; W442-Q536 HydrophobicContact CZ2-CB 3.99Å; W442-Q536 HydrophobicContact CZ2-CG 3.96Å; W442-Q536 HydrophobicContact CZ3-CG 4.32Å; W442-D539 PolarHBondContact NE1-OD2 3.24Å; W442-Y632 VanDerWaalsContact CZ2-OH 3.3Å; W442-Y632 WeakPolarHBondContact CZ2-OH 3.28Å; W442-Y632 AromaticContact NE1-CE2 3.73Å; W442-Y632 AromaticContact NE1-CZ 3.93Å; W442-Y632 PolarHBondContact NE1-OH 2.83Å
443	M	98.1	Very high	97.1	Very high	12 Å²	12	42.2 Å²	42.2	6%	0.059	21%	0.21	C	C	.	.	H	α-helix	trans	-64.6	-33.1	179.8	-51.2	-56.6	-75.9	0	0	111.6	L437 M441 L446 S447 V622 L625	L437-M443 HydrophobicContact CD1-CG 4.49Å; L437-M443 HydrophobicContact CG-CG 4.46Å; M441-M443 PolarHBondContact O-N 2.83Å; M443-L446 HydrophobicContact SD-CD1 4.28Å; M443-S447 WeakPolarHBondContact O-CB 3.4Å; M443-S447 PolarHBondContact O-N 2.85Å; M443-V622 HydrophobicContact CB-CG1 3.89Å; M443-L625 HydrophobicContact CE-CB 3.57Å; M443-L625 WeakPolarHBondContact CE-O 3.16Å; M443-L625 WeakPolarHBondContact O-CD1 3.33Å
444	Q	98.4	Very high	97.5	Very high	47 Å²	47	41.2 Å²	41.2	22%	0.22	21%	0.208	C	C	.	.	H	α-helix	trans	-69.9	-37	175.3	-64.6	84.3	-25.6	0	0	111.4	E438 M441 W442 S447 G448 V622	E438-Q444 PolarHBondContact O-NE2 3.01Å; M441-Q444 VanDerWaalsContact C-OE1 3.27Å; M441-Q444 VanDerWaalsContact CA-OE1 3.26Å; M441-Q444 HydrophobicContact CE-CB 3.88Å; M441-Q444 HydrophobicContact CE-CG 3.84Å; M441-Q444 WeakPolarHBondContact O-CB 3.24Å; M441-Q444 PolarHBondContact O-N 3.43Å; M441-Q444 PolarHBondContact O-OE1 2.89Å; M441-Q444 HydrophobicContact SD-CG 4.18Å; W442-Q444 VanDerWaalsContact C-N 3.26Å; W442-Q444 PolarHBondContact O-N 3.44Å; Q444-S447 WeakPolarHBondContact O-CB 3.36Å; Q444-S447 PolarHBondContact O-N 3.47Å; Q444-G448 PolarHBondContact O-N 2.87Å; Q444-V622 HydrophobicContact CG-CG2 4.2Å
445	H	98.7	Very high	97.8	Very high	44 Å²	44	34 Å²	34	20%	0.204	18%	0.183	C	C	.	.	H	α-helix	trans	-68.7	-41.3	173.2	-66.4	-39.6	0	0	0	112.5	I413 S416 M441 W442 L449	I413-H445 HydrophobicContact CD1-CB 3.94Å; S416-H445 PolarHBondContact OG-CD2 3.36Å; M441-H445 PolarHBondContact O-CD2 2.96Å; M441-H445 VanDerWaalsContact O-CD2 3.29Å; M441-H445 PolarHBondContact O-N 2.87Å; W442-H445 PolarHBondContact O-N 3.28Å; W442-H445 VanDerWaalsContact O-N 3.13Å; H445-L449 VanDerWaalsContact O-CB 3.3Å; H445-L449 WeakPolarHBondContact O-CB 3.49Å; H445-L449 PolarHBondContact O-N 2.98Å
446	L	98.7	Very high	98	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.7	-45.2	170.9	-65.2	172.6	0	0	0	111.3	W442 M443 L449 L450 Q536 D539 L540 L625	W442-L446 PolarHBondContact O-N 3.35Å; M443-L446 HydrophobicContact SD-CD1 4.28Å; L446-L449 PolarHBondContact O-N 3.13Å; L446-L450 WeakPolarHBondContact O-CB 3.33Å; L446-L450 PolarHBondContact O-N 2.82Å; L446-Q536 HydrophobicContact CD2-CG 3.97Å; L446-D539 WeakPolarHBondContact CD1-OD2 3.24Å; L446-D539 HydrophobicContact CD2-CB 4.18Å; L446-L540 HydrophobicContact CB-CD1 4.43Å; L446-L540 HydrophobicContact CD2-CB 4.42Å; L446-L540 HydrophobicContact CD2-CD1 4.27Å; L446-L625 HydrophobicContact CB-CD1 4.01Å
447	S	98.8	Very high	98.2	Very high	23 Å²	23	30 Å²	30	16%	0.161	16%	0.159	C	C	.	.	H	α-helix	trans	-57.5	-48.7	178	179.2	0	0	0	0	112.3	M443 Q444 L450 G451 H620	M443-S447 WeakPolarHBondContact O-CB 3.4Å; M443-S447 PolarHBondContact O-N 2.85Å; Q444-S447 WeakPolarHBondContact O-CB 3.36Å; Q444-S447 PolarHBondContact O-N 3.47Å; S447-L450 PolarHBondContact O-N 3.47Å; S447-G451 PolarHBondContact O-N 3.39Å; S447-H620 WeakPolarHBondContact CA-O 3.41Å; S447-H620 VanDerWaalsContact CB-O 3.22Å; S447-H620 WeakPolarHBondContact CB-O 3.21Å; S447-H620 PolarHBondContact OG-O 3.3Å
448	G	98.6	Very high	98.4	Very high	31 Å²	31	33.4 Å²	33.4	32%	0.32	17%	0.174	S	C	.	.	H	α-helix	trans	-63.9	-43.2	176.3	0	0	0	0	0	112.9	L407 Q444 L450 G451 A452	L407-G448 VanDerWaalsContact CD2-C 3.49Å; Q444-G448 PolarHBondContact O-N 2.87Å; G448-L450 PolarHBondContact O-N 2.8Å; G448-G451 PolarHBondContact O-N 3Å; G448-A452 WeakPolarHBondContact O-CB 3.37Å; G448-A452 PolarHBondContact O-N 3.15Å
449	L	98.6	Very high	98.5	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.016	15%	0.148	C	C	.	.	H	α-helix	trans	-65.7	-36.9	178.8	178.7	60.6	0	0	0	112.5	L407 H445 L446 T453 Q480 I481 L540	L407-L449 HydrophobicContact CD1-CB 4.43Å; L407-L449 HydrophobicContact CD1-CD1 3.73Å; H445-L449 VanDerWaalsContact O-CB 3.3Å; H445-L449 WeakPolarHBondContact O-CB 3.49Å; H445-L449 PolarHBondContact O-N 2.98Å; L446-L449 PolarHBondContact O-N 3.13Å; L449-T453 PolarHBondContact O-N 3.18Å; L449-T453 PolarHBondContact O-OG1 2.69Å; L449-Q480 HydrophobicContact CD1-CB 3.68Å; L449-Q480 HydrophobicContact CD2-CB 3.97Å; L449-Q480 HydrophobicContact CD2-CG 4.33Å; L449-Q480 HydrophobicContact CG-CB 4.39Å; L449-I481 HydrophobicContact CD1-CG1 3.74Å; L449-L540 HydrophobicContact CD2-CD1 4.4Å; L449-L540 HydrophobicContact CD2-CD2 3.77Å; L449-L540 HydrophobicContact CG-CD1 4.41Å; L449-L540 HydrophobicContact CG-CD2 3.77Å
450	L	98.6	Very high	98.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-72.3	-38.4	174.6	-160.3	52.2	0	0	0	111.6	L446 S447 G448 T453 M454 T484 L540 I544 P618 H620 L625	L446-L450 WeakPolarHBondContact O-CB 3.33Å; L446-L450 PolarHBondContact O-N 2.82Å; S447-L450 PolarHBondContact O-N 3.47Å; G448-L450 PolarHBondContact O-N 2.8Å; L450-T453 WeakPolarHBondContact O-CB 3.44Å; L450-T453 PolarHBondContact O-N 3.16Å; L450-M454 WeakPolarHBondContact O-CG 3.36Å; L450-M454 PolarHBondContact O-N 3.05Å; L450-T484 HydrophobicContact CD1-CG2 4.37Å; L450-L540 HydrophobicContact CB-CD1 3.83Å; L450-L540 HydrophobicContact CD1-CD1 4.1Å; L450-L540 HydrophobicContact CD1-CG 4.26Å; L450-L540 HydrophobicContact CD2-CD1 4.44Å; L450-L540 HydrophobicContact CG-CD1 4.35Å; L450-I544 HydrophobicContact CD1-CD1 3.84Å; L450-I544 HydrophobicContact CD1-CG1 4.04Å; L450-P618 HydrophobicContact CD1-CB 4.43Å; L450-P618 HydrophobicContact CD1-CG 3.82Å; L450-P618 HydrophobicContact CD2-CB 4.19Å; L450-P618 HydrophobicContact CD2-CG 4.43Å; L450-P618 HydrophobicContact CG-CG 4.27Å; L450-H620 HydrophobicContact CB-CB 3.72Å; L450-H620 HydrophobicContact CD2-CB 3.97Å; L450-H620 HydrophobicContact CG-CB 3.77Å; L450-L625 HydrophobicContact CD2-CD2 4.2Å
451	G	98.8	Very high	98.5	Very high	17 Å²	17	22.4 Å²	22.4	18%	0.175	13%	0.125	C	C	.	.	H	α-helix	trans	-60.1	-48.4	172.1	0	0	0	0	0	112.5	S447 G448 T453 M454 T455	S447-G451 PolarHBondContact O-N 3.39Å; G448-G451 PolarHBondContact O-N 3Å; G451-T453 VanDerWaalsContact C-N 3.27Å; G451-T453 PolarHBondContact O-N 3.29Å; G451-M454 WeakPolarHBondContact O-CA 3.36Å; G451-M454 WeakPolarHBondContact O-CB 3.31Å; G451-M454 PolarHBondContact O-N 2.82Å; G451-T455 PolarHBondContact O-N 3.4Å
452	A	98.8	Very high	98.4	Very high	4 Å²	4	23.5 Å²	23.5	3%	0.033	13%	0.127	C	C	.	.	H	α-helix	trans	-57.4	-40.1	173.7	0	0	0	0	0	112.4	M405 L407 G448 T455 V456 I481	M405-A452 HydrophobicContact CB-CB 3.9Å; M405-A452 HydrophobicContact CG-CB 3.72Å; M405-A452 VanDerWaalsContact SD-CA 3.57Å; M405-A452 HydrophobicContact SD-CB 3.46Å; M405-A452 WeakPolarHBondContact SD-CB 3.49Å; L407-A452 HydrophobicContact CD1-CB 4.19Å; G448-A452 WeakPolarHBondContact O-CB 3.37Å; G448-A452 PolarHBondContact O-N 3.15Å; A452-T455 PolarHBondContact O-N 3.13Å; A452-V456 PolarHBondContact O-N 3.24Å; A452-I481 HydrophobicContact CB-CD1 4.13Å; A452-I481 HydrophobicContact CB-CG1 4.32Å
453	T	98.8	Very high	98.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.5	-42.1	172.9	-57.4	0	0	0	0	111.5	L449 L450 G451 T455 V456 V457 T484 A485	L449-T453 PolarHBondContact O-N 3.18Å; L449-T453 PolarHBondContact O-OG1 2.69Å; L450-T453 WeakPolarHBondContact O-CB 3.44Å; L450-T453 PolarHBondContact O-N 3.16Å; G451-T453 VanDerWaalsContact C-N 3.27Å; G451-T453 PolarHBondContact O-N 3.29Å; T453-T455 VanDerWaalsContact C-N 3.34Å; T453-T455 PolarHBondContact O-N 3.38Å; T453-V456 WeakPolarHBondContact O-CB 3.25Å; T453-V456 PolarHBondContact O-N 2.72Å; T453-V456 VanDerWaalsContact O-N 3.14Å; T453-V457 HydrophobicContact CG2-CG2 4.18Å; T453-V457 WeakPolarHBondContact O-CG2 3.4Å; T453-V457 PolarHBondContact O-N 3.42Å; T453-T484 HydrophobicContact CG2-CG2 3.79Å; T453-A485 HydrophobicContact CG2-CB 4.07Å
454	M	98.7	Very high	98	Very high	19 Å²	19	26.8 Å²	26.8	9%	0.094	15%	0.148	C	C	.	.	H	α-helix	trans	-65.4	-32.5	177.8	-68.9	-59.7	97.2	0	0	113.1	L450 G451 V456 V457 H458 C488 W617 P618	L450-M454 WeakPolarHBondContact O-CG 3.36Å; L450-M454 PolarHBondContact O-N 3.05Å; G451-M454 WeakPolarHBondContact O-CA 3.36Å; G451-M454 WeakPolarHBondContact O-CB 3.31Å; G451-M454 PolarHBondContact O-N 2.82Å; M454-V456 VanDerWaalsContact C-N 3.35Å; M454-V456 PolarHBondContact O-N 3.4Å; M454-V457 HydrophobicContact CE-CB 4.17Å; M454-V457 HydrophobicContact CE-CG2 3.86Å; M454-V457 PolarHBondContact O-N 2.84Å; M454-H458 WeakPolarHBondContact O-CB 2.98Å; M454-H458 PolarHBondContact O-N 2.76Å; M454-C488 HydrophobicContact CE-CB 4.4Å; M454-W617 HydrophobicContact SD-CE3 4.22Å; M454-P618 HydrophobicContact CE-CG 3.71Å; M454-P618 HydrophobicContact SD-CG 4.08Å
455	T	98.8	Very high	97.8	Very high	35 Å²	35	26.4 Å²	26.4	22%	0.215	14%	0.144	C	C	.	.	H	α-helix	trans	-58.3	-45.4	169.1	-66.4	0	0	0	0	111.4	L371 E403 M405 G451 A452 T453 T459	L371-T455 HydrophobicContact CD2-CG2 3.98Å; E403-T455 WeakPolarHBondContact OE1-CG2 3.49Å; E403-T455 WeakPolarHBondContact OE2-CG2 3.28Å; M405-T455 HydrophobicContact CE-CG2 4.49Å; G451-T455 PolarHBondContact O-N 3.4Å; A452-T455 PolarHBondContact O-N 3.13Å; T453-T455 VanDerWaalsContact C-N 3.34Å; T453-T455 PolarHBondContact O-N 3.38Å; T455-T459 VanDerWaalsContact O-CB 3.28Å; T455-T459 WeakPolarHBondContact O-CB 3.35Å; T455-T459 PolarHBondContact O-N 2.81Å; T455-T459 PolarHBondContact O-OG1 2.85Å
456	V	98.9	Very high	97.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64.7	-50.2	177.3	178.1	0	0	0	0	111.4	L284 V373 A452 T453 M454 H458 T459 I460 V467 V469 I481 A485	L284-V456 HydrophobicContact CD1-CG1 3.77Å; L284-V456 HydrophobicContact CD2-CG1 4.5Å; V373-V456 HydrophobicContact CG1-CG2 4.4Å; V373-V456 HydrophobicContact CG2-CG2 4.14Å; A452-V456 PolarHBondContact O-N 3.24Å; T453-V456 WeakPolarHBondContact O-CB 3.25Å; T453-V456 PolarHBondContact O-N 2.72Å; T453-V456 VanDerWaalsContact O-N 3.14Å; M454-V456 VanDerWaalsContact C-N 3.35Å; M454-V456 PolarHBondContact O-N 3.4Å; V456-H458 PolarHBondContact O-N 3.09Å; V456-T459 PolarHBondContact O-N 3.37Å; V456-I460 HydrophobicContact CG1-CD1 3.9Å; V456-I460 WeakPolarHBondContact O-CG1 3.5Å; V456-I460 PolarHBondContact O-N 3.12Å; V456-V467 HydrophobicContact CG1-CB 4.47Å; V456-V467 HydrophobicContact CG1-CG1 4.14Å; V456-V467 HydrophobicContact CG2-CG1 4.19Å; V456-V469 HydrophobicContact CG2-CG2 4.16Å; V456-I481 HydrophobicContact CG2-CG2 3.7Å; V456-A485 HydrophobicContact CB-CB 4.1Å; V456-A485 HydrophobicContact CG1-CB 3.64Å
457	V	98.8	Very high	97.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.8	-45.2	-179	175.9	0	0	0	0	110.8	T453 M454 T459 I460 E461 A485 C488 L489 V615 W617	T453-V457 HydrophobicContact CG2-CG2 4.18Å; T453-V457 WeakPolarHBondContact O-CG2 3.4Å; T453-V457 PolarHBondContact O-N 3.42Å; M454-V457 HydrophobicContact CE-CB 4.17Å; M454-V457 HydrophobicContact CE-CG2 3.86Å; M454-V457 PolarHBondContact O-N 2.84Å; V457-T459 PolarHBondContact O-N 3.5Å; V457-I460 PolarHBondContact O-N 3.45Å; V457-E461 WeakPolarHBondContact O-CB 3.06Å; V457-E461 PolarHBondContact O-N 3.37Å; V457-A485 HydrophobicContact CG2-CB 4.04Å; V457-C488 HydrophobicContact CG1-CB 4.41Å; V457-C488 HydrophobicContact CG2-CB 3.79Å; V457-L489 HydrophobicContact CG1-CD2 3.95Å; V457-L489 HydrophobicContact CG1-CG 4.18Å; V457-L489 HydrophobicContact CG2-CD1 4.5Å; V457-L489 HydrophobicContact CG2-CG 4.21Å; V457-V615 HydrophobicContact CG1-CG1 3.68Å; V457-W617 HydrophobicContact CB-CZ3 4.46Å; V457-W617 HydrophobicContact CG1-CE3 4.3Å; V457-W617 HydrophobicContact CG1-CH2 3.78Å; V457-W617 HydrophobicContact CG1-CZ2 4.23Å; V457-W617 HydrophobicContact CG1-CZ3 3.82Å
458	H	98.7	Very high	97.8	Very high	89 Å²	89	23.4 Å²	23.4	41%	0.412	13%	0.128	S	C	.	.	H	α-helix	trans	-60.6	-45.3	175.8	-174	92.5	0	0	0	112.3	M454 V456 I460 K462 N463 W617	M454-H458 WeakPolarHBondContact O-CB 2.98Å; M454-H458 PolarHBondContact O-N 2.76Å; V456-H458 PolarHBondContact O-N 3.09Å; H458-I460 VanDerWaalsContact C-N 3.33Å; H458-I460 PolarHBondContact O-N 3.48Å; H458-K462 WeakPolarHBondContact O-CA 3.37Å; H458-K462 WeakPolarHBondContact O-CB 3.49Å; H458-K462 PolarHBondContact O-N 3.21Å; H458-N463 PolarHBondContact O-N 2.86Å; H458-W617 HydrophobicContact CB-CH2 4.47Å; H458-W617 HydrophobicContact CB-CZ3 4.11Å
459	T	98.6	Very high	97.8	Very high	9 Å²	9	21.9 Å²	21.9	6%	0.055	11%	0.113	C	C	.	.	H	α-helix	trans	-64.1	-38.4	-178.6	-62.4	0	0	0	0	112.5	L371 T455 V456 V457 N463 G464 R465 V467	L371-T459 HydrophobicContact CB-CG2 4.01Å; L371-T459 HydrophobicContact CD2-CG2 3.88Å; L371-T459 WeakPolarHBondContact CD2-OG1 3.42Å; T455-T459 VanDerWaalsContact O-CB 3.28Å; T455-T459 WeakPolarHBondContact O-CB 3.35Å; T455-T459 PolarHBondContact O-N 2.81Å; T455-T459 PolarHBondContact O-OG1 2.85Å; V456-T459 PolarHBondContact O-N 3.37Å; V457-T459 PolarHBondContact O-N 3.5Å; T459-N463 CarbonylContact O-C 3.58Å; T459-N463 WeakPolarHBondContact O-CB 3.24Å; T459-N463 PolarHBondContact O-N 3.23Å; T459-G464 PolarHBondContact O-N 3.33Å; T459-R465 HydrophobicContact CG2-CB 3.75Å; T459-R465 HydrophobicContact CG2-CG 3.84Å; T459-R465 PolarHBondContact O-N 2.8Å; T459-R465 VanDerWaalsContact O-N 3.12Å; T459-V467 HydrophobicContact CG2-CG2 3.58Å
460	I	97.8	Very high	97.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-75	-54.9	178.5	-72	177.2	0	0	0	111.7	W275 H277 L284 V456 V457 H458 G464 V467 L489	W275-I460 HydrophobicContact CH2-CG2 3.98Å; W275-I460 HydrophobicContact CZ3-CD1 4.36Å; W275-I460 HydrophobicContact CZ3-CG2 3.48Å; W275-I460 VanDerWaalsContact CZ3-CG2 3.48Å; H277-I460 HydrophobicContact CB-CG2 4.05Å; L284-I460 HydrophobicContact CB-CD1 3.91Å; L284-I460 HydrophobicContact CD1-CD1 4.26Å; L284-I460 HydrophobicContact CG-CD1 4.47Å; V456-I460 HydrophobicContact CG1-CD1 3.9Å; V456-I460 WeakPolarHBondContact O-CG1 3.5Å; V456-I460 PolarHBondContact O-N 3.12Å; V457-I460 PolarHBondContact O-N 3.45Å; H458-I460 VanDerWaalsContact C-N 3.33Å; H458-I460 PolarHBondContact O-N 3.48Å; I460-G464 VanDerWaalsContact O-CA 3.26Å; I460-G464 WeakPolarHBondContact O-CA 3.35Å; I460-G464 PolarHBondContact O-N 3.46Å; I460-V467 HydrophobicContact CD1-CB 4.42Å; I460-V467 HydrophobicContact CD1-CG2 4.16Å; I460-V467 HydrophobicContact CG1-CB 4.46Å; I460-V467 HydrophobicContact CG1-CG2 3.71Å; I460-L489 HydrophobicContact CB-CD1 4.18Å; I460-L489 HydrophobicContact CB-CD2 4.36Å; I460-L489 HydrophobicContact CD1-CD1 3.88Å; I460-L489 HydrophobicContact CG2-CD1 3.87Å; I460-L489 HydrophobicContact CG2-CD2 3.91Å
461	E	96.4	Very high	97.8	Very high	49 Å²	49	21.9 Å²	21.9	23%	0.229	11%	0.113	C	C	.	.	H	α-helix	trans	-81.7	-35.4	-169.6	159.1	61.4	-157.4	0	0	113.1	H277 V457 L489 V615 W617	H277-E461 IonicContact NE2-OE2 3.51Å; V457-E461 WeakPolarHBondContact O-CB 3.06Å; V457-E461 PolarHBondContact O-N 3.37Å; E461-L489 HydrophobicContact CB-CD2 3.77Å; E461-V615 HydrophobicContact CG-CB 4.4Å; E461-V615 HydrophobicContact CG-CG1 4.28Å; E461-V615 HydrophobicContact CG-CG2 4Å; E461-W617 HydrophobicContact CB-CH2 4.39Å; E461-W617 HydrophobicContact CB-CZ2 4.33Å; E461-W617 HydrophobicContact CG-CH2 4.14Å; E461-W617 HydrophobicContact CG-CZ2 3.65Å
462	K	95.8	Very high	97.7	Very high	111 Å²	111	21.1 Å²	21.1	48%	0.483	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-44.8	179.7	-56.5	-51.7	176.4	-155.1	0	112.7	H458 W617	H458-K462 WeakPolarHBondContact O-CA 3.37Å; H458-K462 WeakPolarHBondContact O-CB 3.49Å; H458-K462 PolarHBondContact O-N 3.21Å; K462-W617 HydrophobicContact CD-CZ2 4.46Å; K462-W617 VanDerWaalsContact CE-CZ2 3.49Å; K462-W617 HydrophobicContact CG-CH2 4.01Å; K462-W617 HydrophobicContact CG-CZ2 4.41Å
463	N	94.9	Very high	97.7	Very high	71 Å²	71	22.1 Å²	22.1	38%	0.38	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-15.4	-177.7	-58.3	-24.9	0	0	0	112.8	K368 H458 T459 R465	K368-N463 WeakPolarHBondContact CD-O 3.28Å; K368-N463 PolarHBondContact NZ-O 2.88Å; H458-N463 PolarHBondContact O-N 2.86Å; T459-N463 CarbonylContact O-C 3.58Å; T459-N463 WeakPolarHBondContact O-CB 3.24Å; T459-N463 PolarHBondContact O-N 3.23Å; N463-R465 HydrophobicContact CB-CB 4.1Å; N463-R465 PolarHBondContact O-N 3.42Å
464	G	93.9	Very high	97.6	Very high	10 Å²	10	22.1 Å²	22.1	10%	0.103	11%	0.109	C	C	.	.			trans	60.8	35	-178.6	0	0	0	0	0	112.2	R317 T459 I460	R317-G464 PolarHBondContact NH2-O 2.72Å; T459-G464 PolarHBondContact O-N 3.33Å; I460-G464 VanDerWaalsContact O-CA 3.26Å; I460-G464 WeakPolarHBondContact O-CA 3.35Å; I460-G464 PolarHBondContact O-N 3.46Å
465	R	95.1	Very high	97.6	Very high	39 Å²	39	21.9 Å²	21.9	15%	0.147	11%	0.108	C	C	.	.			trans	-114.4	135.7	-167.2	175.5	179.6	174.5	171.6	4.4	110.2	K368 K369 I370 E401 T459 N463	K368-R465 HydrophobicContact CB-CB 4.42Å; K368-R465 HydrophobicContact CB-CG 4.36Å; K369-R465 WeakPolarHBondContact O-CD 3.37Å; K369-R465 WeakPolarHBondContact O-CG 3.23Å; K369-R465 PolarHBondContact O-NE 3.34Å; I370-R465 PolarHBondContact O-NH2 3.35Å; E401-R465 IonicContact OE2-CZ 2.8Å; E401-R465 VanDerWaalsContact OE2-CZ 3.22Å; E401-R465 IonicContact OE2-NH1 3.73Å; E401-R465 PolarHBondContact OE2-NH1 2.89Å; E401-R465 IonicContact OE2-NH2 3.07Å; E401-R465 PolarHBondContact OE2-NH2 3.3Å; T459-R465 HydrophobicContact CG2-CB 3.75Å; T459-R465 HydrophobicContact CG2-CG 3.84Å; T459-R465 PolarHBondContact O-N 2.8Å; T459-R465 VanDerWaalsContact O-N 3.12Å; N463-R465 HydrophobicContact CB-CB 4.1Å; N463-R465 PolarHBondContact O-N 3.42Å
466	P	97.4	Very high	97.6	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.019	10%	0.1	C	C	.	.			trans	-69.1	148.5	178.2	27.4	-33	0	0	0	112.4	I283 I370 L371	I283-P466 HydrophobicContact CD1-CB 4.4Å; I283-P466 HydrophobicContact CG1-CB 4.1Å; I283-P466 WeakPolarHBondContact O-CA 3.41Å; I370-P466 WeakPolarHBondContact CA-O 3.42Å; I370-P466 HydrophobicContact CG1-CB 4.22Å; I370-P466 HydrophobicContact CG1-CG 3.87Å; L371-P466 PolarHBondContact N-O 3.31Å
467	V	98.8	Very high	97.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	136.2	-176.2	-175.1	0	0	0	0	111.2	I283 L284 A285 L371 V373 V456 T459 I460 V469	I283-V467 PolarHBondContact O-N 3.2Å; L284-V467 WeakPolarHBondContact CA-O 3.37Å; L284-V467 HydrophobicContact CD1-CB 4.06Å; L284-V467 HydrophobicContact CD1-CG1 4.15Å; A285-V467 PolarHBondContact N-O 3.48Å; L371-V467 HydrophobicContact CB-CG2 4.37Å; L371-V467 CarbonylContact O-C 3.16Å; L371-V467 WeakPolarHBondContact O-CA 3.43Å; V373-V467 HydrophobicContact CG2-CG1 3.89Å; V456-V467 HydrophobicContact CG1-CB 4.47Å; V456-V467 HydrophobicContact CG1-CG1 4.14Å; V456-V467 HydrophobicContact CG2-CG1 4.19Å; T459-V467 HydrophobicContact CG2-CG2 3.58Å; I460-V467 HydrophobicContact CD1-CB 4.42Å; I460-V467 HydrophobicContact CD1-CG2 4.16Å; I460-V467 HydrophobicContact CG1-CB 4.46Å; I460-V467 HydrophobicContact CG1-CG2 3.71Å; V467-V469 HydrophobicContact CG1-CG2 3.99Å
468	L	98.9	Very high	97.6	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	121.6	171.5	179.7	64.4	0	0	0	108.9	P271 A285 C287 L306 I370 L371 I372 V373	P271-L468 HydrophobicContact CB-CD1 4Å; P271-L468 HydrophobicContact CG-CD1 4.47Å; P271-L468 HydrophobicContact CG-CD2 4.38Å; A285-L468 HydrophobicContact CB-CD1 3.59Å; C287-L468 HydrophobicContact CB-CD1 4.42Å; L306-L468 HydrophobicContact CD1-CD2 4.05Å; L306-L468 HydrophobicContact CD2-CD2 3.99Å; L306-L468 HydrophobicContact CG-CD2 4.11Å; I370-L468 HydrophobicContact CG2-CB 3.78Å; L371-L468 PolarHBondContact O-N 3.12Å; I372-L468 CarbonylContact C-O 3.54Å; I372-L468 WeakPolarHBondContact CA-O 3.31Å; I372-L468 HydrophobicContact CG1-CD2 4.46Å; V373-L468 PolarHBondContact N-O 3.44Å
469	V	98.9	Very high	97.6	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	132.6	-179	-171.4	0	0	0	0	110.7	L284 A285 R286 C287 V373 V456 V467 T478 I481 V482	L284-V469 HydrophobicContact CD1-CG2 3.73Å; A285-V469 PolarHBondContact O-N 3.21Å; R286-V469 VanDerWaalsContact CA-O 3.29Å; R286-V469 WeakPolarHBondContact CA-O 3.27Å; C287-V469 PolarHBondContact N-O 3.19Å; C287-V469 VanDerWaalsContact N-O 3.14Å; V373-V469 HydrophobicContact CB-CG1 4.47Å; V373-V469 HydrophobicContact CB-CG2 4.28Å; V373-V469 HydrophobicContact CG1-CG1 4.38Å; V373-V469 WeakPolarHBondContact O-CA 3.37Å; V456-V469 HydrophobicContact CG2-CG2 4.16Å; V467-V469 HydrophobicContact CG1-CG2 3.99Å; V469-T478 HydrophobicContact CB-CG2 4.31Å; V469-T478 HydrophobicContact CG1-CG2 4.16Å; V469-T478 VanDerWaalsContact O-CG2 3.3Å; V469-T478 WeakPolarHBondContact O-CG2 3.46Å; V469-I481 HydrophobicContact CG1-CB 4.11Å; V469-I481 HydrophobicContact CG1-CD1 4.11Å; V469-I481 HydrophobicContact CG1-CG2 4.03Å; V469-I481 HydrophobicContact CG2-CG2 4.39Å; V469-V482 HydrophobicContact CB-CG2 3.68Å; V469-V482 HydrophobicContact CG1-CG2 4.08Å; V469-V482 HydrophobicContact CG2-CG2 3.86Å
470	H	98.8	Very high	97.6	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	-179.1	172.9	71.3	99.3	0	0	0	112.6	C287 I372 V373 D374 A375 E392 T478	C287-H470 WeakPolarHBondContact O-CA 3.35Å; C287-H470 WeakPolarHBondContact O-CB 3.24Å; I372-H470 WeakPolarHBondContact CG2-NE2 3.48Å; V373-H470 PolarHBondContact O-N 3.14Å; D374-H470 VanDerWaalsContact CG-CE1 3.42Å; D374-H470 IonicContact OD1-CE1 3.3Å; D374-H470 IonicContact OD2-CE1 3.73Å; D374-H470 PolarHBondContact OD2-CE1 2.88Å; A375-H470 WeakPolarHBondContact CB-O 3.39Å; A375-H470 PolarHBondContact N-O 3.38Å; E392-H470 IonicContact OE2-CE1 3.75Å; E392-H470 IonicContact OE2-NE2 3.82Å; H470-T478 WeakPolarHBondContact CA-OG1 3.05Å
471	C	97.6	Very high	97.6	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.014	8%	0.083	C	C	.	.			trans	-143.2	-139.1	163.3	64.6	0	0	0	0	106.5	Q289 A375 R376 G474 R477 T478	Q289-C471 WeakPolarHBondContact CB-O 3.26Å; Q289-C471 PolarHBondContact N-O 3.38Å; A375-C471 HydrophobicContact CB-CB 4Å; R376-C471 HydrophobicContact CG-CB 4.26Å; C471-G474 PolarHBondContact SG-N 3.08Å; C471-R477 HydrophobicContact CB-CB 4.18Å; C471-T478 PolarHBondContact N-OG1 2.79Å
472	S	97.6	Very high	97.7	Very high	1 Å²	1	15 Å²	15	1%	0.007	7%	0.072	C	C	.	.	S	Bend	trans	-62.7	-72.6	161.2	-57.7	0	0	0	0	110.3	S288 Q289 R376 N384	S288-S472 WeakPolarHBondContact CA-O 3.48Å; S288-S472 VanDerWaalsContact CB-O 3.26Å; S288-S472 WeakPolarHBondContact CB-O 3.23Å; Q289-S472 WeakPolarHBondContact CG-O 3.28Å; Q289-S472 PolarHBondContact N-O 3.11Å; R376-S472 WeakPolarHBondContact CD-OG 3.19Å; R376-S472 PolarHBondContact NH1-OG 2.78Å; N384-S472 PolarHBondContact OD1-OG 2.59Å
473	D	97.6	Very high	97.9	Very high	25 Å²	25	9.7 Å²	9.7	13%	0.134	5%	0.049	C	C	.	.	S	Bend	trans	-98	-10.6	-167.9	-44.4	-85	0	0	0	115.3	R269 W475	R269-D473 WeakPolarHBondContact CD-O 3.15Å; R269-D473 PolarHBondContact NE-O 2.98Å; D473-W475 VanDerWaalsContact C-N 3.27Å; D473-W475 HydrophobicContact CB-CD2 3.59Å; D473-W475 HydrophobicContact CB-CE3 4.04Å; D473-W475 HydrophobicContact CB-CG 4.11Å; D473-W475 HydrophobicContact CB-CH2 3.93Å; D473-W475 HydrophobicContact CB-CZ2 3.49Å; D473-W475 VanDerWaalsContact CB-CZ2 3.49Å; D473-W475 HydrophobicContact CB-CZ3 4.19Å; D473-W475 PolarHBondContact O-N 3.49Å
474	G	97.9	Very high	98.1	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.031	C	C	.	.	S	Bend	trans	72.7	11.7	179.3	0	0	0	0	0	115.7	R269 R286 C287 C471 T478	R269-G474 PolarHBondContact NH2-O 3.3Å; R286-G474 PolarHBondContact NH2-O 3.12Å; C287-G474 VanDerWaalsContact O-CA 3.26Å; C287-G474 WeakPolarHBondContact O-CA 3.28Å; C471-G474 PolarHBondContact SG-N 3.08Å; G474-T478 WeakPolarHBondContact CA-OG1 3.17Å
475	W	98	Very high	98.3	Very high	15 Å²	15	5.8 Å²	5.8	6%	0.057	3%	0.026	C	C	.	.	S	Bend	trans	-114.1	-10.3	178.4	58.9	51.2	0	0	0	115.8	D473 P479 G511 H512 K513	D473-W475 VanDerWaalsContact C-N 3.27Å; D473-W475 HydrophobicContact CB-CD2 3.59Å; D473-W475 HydrophobicContact CB-CE3 4.04Å; D473-W475 HydrophobicContact CB-CG 4.11Å; D473-W475 HydrophobicContact CB-CH2 3.93Å; D473-W475 HydrophobicContact CB-CZ2 3.49Å; D473-W475 VanDerWaalsContact CB-CZ2 3.49Å; D473-W475 HydrophobicContact CB-CZ3 4.19Å; D473-W475 PolarHBondContact O-N 3.49Å; W475-P479 VanDerWaalsContact O-CG 3.23Å; W475-P479 WeakPolarHBondContact O-CG 3.37Å; W475-G511 VanDerWaalsContact CB-O 3.31Å; W475-G511 WeakPolarHBondContact CB-O 3.43Å; W475-H512 PolarHBondContact O-ND1 2.96Å; W475-K513 HydrophobicContact CD2-CD 4.35Å; W475-K513 HydrophobicContact CD2-CG 4.43Å; W475-K513 HydrophobicContact CZ2-CD 3.92Å
476	D	98.3	Very high	98.5	Very high	11 Å²	11	4 Å²	4	6%	0.059	2%	0.019	C	C	.	.	S	Bend	trans	-108.6	-83.6	178.9	-72.9	-49.2	0	0	0	112.7	I410 T478 P479 Q480 H512 R517 V533	I410-D476 HydrophobicContact CG2-CB 4.38Å; I410-D476 WeakPolarHBondContact CG2-OD2 3.23Å; D476-T478 VanDerWaalsContact C-N 3.26Å; D476-T478 PolarHBondContact O-N 3.3Å; D476-P479 WeakPolarHBondContact O-CD 3.32Å; D476-P479 VanDerWaalsContact O-CG 3.28Å; D476-P479 WeakPolarHBondContact O-CG 3.48Å; D476-Q480 WeakPolarHBondContact O-CG 3.33Å; D476-H512 IonicContact OD1-CE1 3.43Å; D476-H512 PolarHBondContact OD1-CE1 2.86Å; D476-H512 IonicContact OD1-ND1 2.74Å; D476-R517 IonicContact OD1-CZ 3.95Å; D476-R517 IonicContact OD1-NE 3.79Å; D476-R517 PolarHBondContact OD1-NE 2.79Å; D476-R517 IonicContact OD1-NH2 2.81Å; D476-R517 IonicContact OD2-CZ 3.29Å; D476-R517 IonicContact OD2-NE 3.35Å; D476-R517 PolarHBondContact OD2-NE 2.85Å; D476-R517 IonicContact OD2-NH2 3.33Å; D476-R517 PolarHBondContact OD2-NH2 3.47Å; D476-V533 HydrophobicContact CB-CG1 4.12Å
477	R	98.7	Very high	98.6	Very high	19 Å²	19	3.8 Å²	3.8	7%	0.072	2%	0.018	C	C	.	.	H	α-helix	trans	-63.7	-30.8	-178.8	-70.5	167.8	-86.6	-156.4	-4.9	113	A375 L407 G408 C471 Q480 I481 D859	A375-R477 HydrophobicContact CB-CB 3.57Å; A375-R477 HydrophobicContact CB-CG 4.39Å; L407-R477 PolarHBondContact O-NH1 3.03Å; G408-R477 WeakPolarHBondContact O-CD 3.03Å; C471-R477 HydrophobicContact CB-CB 4.18Å; R477-Q480 WeakPolarHBondContact O-CB 3.28Å; R477-Q480 PolarHBondContact O-N 2.66Å; R477-I481 PolarHBondContact O-N 3.31Å; R477-I481 VanDerWaalsContact O-N 3.16Å; R477-D859 IonicContact NH2-OD2 3.63Å
478	T	98.9	Very high	98.6	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-65.6	-54.8	-178.3	-56.8	0	0	0	0	113.6	R286 V469 H470 C471 G474 D476 Q480 I481 V482	R286-T478 HydrophobicContact CB-CG2 3.79Å; V469-T478 HydrophobicContact CB-CG2 4.31Å; V469-T478 HydrophobicContact CG1-CG2 4.16Å; V469-T478 VanDerWaalsContact O-CG2 3.3Å; V469-T478 WeakPolarHBondContact O-CG2 3.46Å; H470-T478 WeakPolarHBondContact CA-OG1 3.05Å; C471-T478 PolarHBondContact N-OG1 2.79Å; G474-T478 WeakPolarHBondContact CA-OG1 3.17Å; D476-T478 VanDerWaalsContact C-N 3.26Å; D476-T478 PolarHBondContact O-N 3.3Å; T478-Q480 PolarHBondContact O-N 2.77Å; T478-I481 PolarHBondContact O-N 3.43Å; T478-V482 HydrophobicContact CG2-CG2 4.08Å; T478-V482 VanDerWaalsContact O-CB 3.28Å; T478-V482 WeakPolarHBondContact O-CB 3.42Å; T478-V482 VanDerWaalsContact O-CG2 3.23Å; T478-V482 WeakPolarHBondContact O-CG2 3.37Å; T478-V482 PolarHBondContact O-N 2.86Å
479	P	98.8	Very high	98.5	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-61.5	-31.6	174.8	21.6	-31	0	0	0	113	W475 D476 A483 E506 W507	W475-P479 VanDerWaalsContact O-CG 3.23Å; W475-P479 WeakPolarHBondContact O-CG 3.37Å; D476-P479 WeakPolarHBondContact O-CD 3.32Å; D476-P479 VanDerWaalsContact O-CG 3.28Å; D476-P479 WeakPolarHBondContact O-CG 3.48Å; P479-A483 WeakPolarHBondContact O-CB 3.41Å; P479-A483 PolarHBondContact O-N 3.42Å; P479-E506 WeakPolarHBondContact CB-O 3.32Å; P479-W507 HydrophobicContact CB-CD2 4.12Å; P479-W507 HydrophobicContact CB-CE3 4.45Å; P479-W507 HydrophobicContact CB-CZ2 4.21Å; P479-W507 HydrophobicContact CG-CE3 4.4Å; P479-W507 HydrophobicContact CG-CH2 4.44Å; P479-W507 HydrophobicContact CG-CZ3 4.35Å
480	Q	98.9	Very high	98.5	Very high	6 Å²	6	5 Å²	5	3%	0.028	2%	0.024	C	C	.	.	H	α-helix	trans	-58.1	-51	173.5	-66.2	-179.5	-40.8	0	0	112.2	L449 D476 R477 T478 T484 W507 V533 W537	L449-Q480 HydrophobicContact CD1-CB 3.68Å; L449-Q480 HydrophobicContact CD2-CB 3.97Å; L449-Q480 HydrophobicContact CD2-CG 4.33Å; L449-Q480 HydrophobicContact CG-CB 4.39Å; D476-Q480 WeakPolarHBondContact O-CG 3.33Å; R477-Q480 WeakPolarHBondContact O-CB 3.28Å; R477-Q480 PolarHBondContact O-N 2.66Å; T478-Q480 PolarHBondContact O-N 2.77Å; Q480-T484 WeakPolarHBondContact O-CB 3.35Å; Q480-T484 PolarHBondContact O-N 3.01Å; Q480-T484 PolarHBondContact O-OG1 2.86Å; Q480-W507 HydrophobicContact CG-CH2 3.57Å; Q480-W507 HydrophobicContact CG-CZ2 3.91Å; Q480-V533 HydrophobicContact CG-CG1 4.1Å; Q480-V533 PolarHBondContact NE2-O 2.81Å; Q480-W537 HydrophobicContact CG-CB 4.28Å
481	I	98.9	Very high	98.4	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-67.4	-49.5	177.3	-63.6	169.5	0	0	0	110.6	A375 M405 L407 L449 A452 V456 V469 R477 T478 T484 A485	A375-I481 HydrophobicContact CB-CD1 3.72Å; M405-I481 HydrophobicContact CG-CD1 4.46Å; L407-I481 HydrophobicContact CD1-CD1 3.95Å; L407-I481 HydrophobicContact CD1-CG1 4.3Å; L449-I481 HydrophobicContact CD1-CG1 3.74Å; A452-I481 HydrophobicContact CB-CD1 4.13Å; A452-I481 HydrophobicContact CB-CG1 4.32Å; V456-I481 HydrophobicContact CG2-CG2 3.7Å; V469-I481 HydrophobicContact CG1-CB 4.11Å; V469-I481 HydrophobicContact CG1-CD1 4.11Å; V469-I481 HydrophobicContact CG1-CG2 4.03Å; V469-I481 HydrophobicContact CG2-CG2 4.39Å; R477-I481 PolarHBondContact O-N 3.31Å; R477-I481 VanDerWaalsContact O-N 3.16Å; T478-I481 PolarHBondContact O-N 3.43Å; I481-T484 PolarHBondContact O-N 2.98Å; I481-A485 WeakPolarHBondContact O-CB 3.49Å; I481-A485 PolarHBondContact O-N 2.78Å
482	V	98.9	Very high	98.4	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-64.4	-47.1	-171.8	168.3	0	0	0	0	112	V274 L284 R286 V469 T478 T484 A485 Q486 E506	V274-V482 HydrophobicContact CG2-CG1 3.77Å; L284-V482 HydrophobicContact CD2-CG1 4.02Å; L284-V482 HydrophobicContact CG-CG1 4.41Å; R286-V482 HydrophobicContact CB-CG2 4.28Å; V469-V482 HydrophobicContact CB-CG2 3.68Å; V469-V482 HydrophobicContact CG1-CG2 4.08Å; V469-V482 HydrophobicContact CG2-CG2 3.86Å; T478-V482 HydrophobicContact CG2-CG2 4.08Å; T478-V482 VanDerWaalsContact O-CB 3.28Å; T478-V482 WeakPolarHBondContact O-CB 3.42Å; T478-V482 VanDerWaalsContact O-CG2 3.23Å; T478-V482 WeakPolarHBondContact O-CG2 3.37Å; T478-V482 PolarHBondContact O-N 2.86Å; V482-T484 VanDerWaalsContact C-N 3.34Å; V482-T484 PolarHBondContact O-N 3.44Å; V482-A485 PolarHBondContact O-N 2.73Å; V482-Q486 VanDerWaalsContact CG1-NE2 3.34Å; V482-Q486 VanDerWaalsContact O-CG 3.28Å; V482-Q486 WeakPolarHBondContact O-CG 3.48Å; V482-Q486 PolarHBondContact O-N 3.31Å; V482-Q486 VanDerWaalsContact O-N 3.09Å; V482-E506 HydrophobicContact CG1-CG 4.47Å; V482-E506 WeakPolarHBondContact CG1-OE2 3.21Å
483	A	98.9	Very high	98.4	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-67.7	-35.6	179.7	0	0	0	0	0	111.8	P479 L487 L502 E506 W537	P479-A483 WeakPolarHBondContact O-CB 3.41Å; P479-A483 PolarHBondContact O-N 3.42Å; A483-L487 WeakPolarHBondContact O-CB 3.43Å; A483-L487 PolarHBondContact O-N 2.92Å; A483-L502 HydrophobicContact CB-CD1 4.05Å; A483-L502 HydrophobicContact CB-CD2 4.26Å; A483-L502 HydrophobicContact CB-CG 4.1Å; A483-E506 HydrophobicContact CB-CB 4.03Å; A483-E506 HydrophobicContact CB-CG 4.1Å; A483-W537 HydrophobicContact CB-CZ2 3.69Å
484	T	98.9	Very high	98.5	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-73.7	-36.6	178.7	-45.6	0	0	0	0	112	L450 T453 Q480 I481 V482 L487 C488 W537 L540 I544	L450-T484 HydrophobicContact CD1-CG2 4.37Å; T453-T484 HydrophobicContact CG2-CG2 3.79Å; Q480-T484 WeakPolarHBondContact O-CB 3.35Å; Q480-T484 PolarHBondContact O-N 3.01Å; Q480-T484 PolarHBondContact O-OG1 2.86Å; I481-T484 PolarHBondContact O-N 2.98Å; V482-T484 VanDerWaalsContact C-N 3.34Å; V482-T484 PolarHBondContact O-N 3.44Å; T484-L487 PolarHBondContact O-N 3.22Å; T484-C488 PolarHBondContact O-N 3.23Å; T484-C488 PolarHBondContact O-SG 3.05Å; T484-W537 VanDerWaalsContact OG1-CD1 3.24Å; T484-W537 PolarHBondContact OG1-NE1 2.91Å; T484-L540 HydrophobicContact CG2-CD2 3.7Å; T484-L540 HydrophobicContact CG2-CG 4.32Å; T484-L540 WeakPolarHBondContact OG1-CD2 3.41Å; T484-I544 HydrophobicContact CG2-CD1 3.39Å
485	A	98.9	Very high	98.4	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-62.2	-46.1	173.8	0	0	0	0	0	110.5	L284 T453 V456 V457 I481 V482 C488 L489	L284-A485 HydrophobicContact CD2-CB 4.18Å; T453-A485 HydrophobicContact CG2-CB 4.07Å; V456-A485 HydrophobicContact CB-CB 4.1Å; V456-A485 HydrophobicContact CG1-CB 3.64Å; V457-A485 HydrophobicContact CG2-CB 4.04Å; I481-A485 WeakPolarHBondContact O-CB 3.49Å; I481-A485 PolarHBondContact O-N 2.78Å; V482-A485 PolarHBondContact O-N 2.73Å; A485-C488 PolarHBondContact O-N 2.84Å; A485-L489 WeakPolarHBondContact O-CB 3.45Å; A485-L489 WeakPolarHBondContact O-CD1 3.18Å; A485-L489 VanDerWaalsContact O-CG 3.24Å; A485-L489 WeakPolarHBondContact O-CG 3.42Å; A485-L489 PolarHBondContact O-N 3.09Å
486	Q	98.8	Very high	98.4	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-56.8	-49	172.6	-74.1	177.5	32	0	0	112.1	W275 L284 V482 C488 L489 D490 Y493 L502 E506	W275-Q486 HydrophobicContact CB-CG 3.92Å; W275-Q486 HydrophobicContact CG-CG 4Å; L284-Q486 HydrophobicContact CD2-CG 3.99Å; V482-Q486 VanDerWaalsContact CG1-NE2 3.34Å; V482-Q486 VanDerWaalsContact O-CG 3.28Å; V482-Q486 WeakPolarHBondContact O-CG 3.48Å; V482-Q486 PolarHBondContact O-N 3.31Å; V482-Q486 VanDerWaalsContact O-N 3.09Å; Q486-C488 VanDerWaalsContact C-N 3.28Å; Q486-C488 PolarHBondContact O-N 3.07Å; Q486-L489 PolarHBondContact O-N 3.48Å; Q486-D490 WeakPolarHBondContact O-CB 3.46Å; Q486-D490 PolarHBondContact O-N 3.04Å; Q486-Y493 HydrophobicContact CB-CD2 3.84Å; Q486-Y493 HydrophobicContact CB-CE2 3.61Å; Q486-Y493 HydrophobicContact CG-CE2 4.17Å; Q486-Y493 WeakPolarHBondContact O-CD2 3.49Å; Q486-Y493 PolarHBondContact OE1-OH 3.43Å; Q486-L502 HydrophobicContact CB-CD1 3.89Å; Q486-E506 VanDerWaalsContact NE2-CD 3.32Å; Q486-E506 PolarHBondContact NE2-OE1 3.27Å; Q486-E506 PolarHBondContact OE1-OE1 3.48Å
487	L	98.6	Very high	98.3	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-58.7	-37	178.4	-167.6	69.5	0	0	0	113	A483 T484 Y493 R494 F499 L502 V541 F552	A483-L487 WeakPolarHBondContact O-CB 3.43Å; A483-L487 PolarHBondContact O-N 2.92Å; T484-L487 PolarHBondContact O-N 3.22Å; L487-Y493 WeakPolarHBondContact CD1-O 3.25Å; L487-R494 HydrophobicContact CD1-CG 3.99Å; L487-R494 HydrophobicContact CG-CG 4.48Å; L487-R494 PolarHBondContact O-NE 3.04Å; L487-F499 HydrophobicContact CD1-CD2 3.89Å; L487-F499 HydrophobicContact CD1-CE2 4.17Å; L487-F499 HydrophobicContact CD2-CE2 4.32Å; L487-L502 HydrophobicContact CB-CD2 4.22Å; L487-L502 HydrophobicContact CD1-CD2 4.05Å; L487-V541 HydrophobicContact CD2-CB 4.4Å; L487-V541 HydrophobicContact CD2-CG1 3.97Å; L487-V541 HydrophobicContact CD2-CG2 3.79Å; L487-F552 HydrophobicContact CD1-CE1 3.94Å; L487-F552 HydrophobicContact CD2-CE1 3.98Å; L487-F552 HydrophobicContact CD2-CZ 4.4Å; L487-F552 HydrophobicContact CG-CE1 3.93Å; L487-F552 HydrophobicContact CG-CZ 4.45Å
488	C	98.8	Very high	98.3	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-72.3	-45.3	174.8	-64.6	0	0	0	0	111.8	M454 V457 T484 A485 Q486 R494 V615 L616	M454-C488 HydrophobicContact CE-CB 4.4Å; V457-C488 HydrophobicContact CG1-CB 4.41Å; V457-C488 HydrophobicContact CG2-CB 3.79Å; T484-C488 PolarHBondContact O-N 3.23Å; T484-C488 PolarHBondContact O-SG 3.05Å; A485-C488 PolarHBondContact O-N 2.84Å; Q486-C488 VanDerWaalsContact C-N 3.28Å; Q486-C488 PolarHBondContact O-N 3.07Å; C488-R494 PolarHBondContact O-NH2 2.93Å; C488-V615 VanDerWaalsContact O-CA 3.31Å; C488-V615 WeakPolarHBondContact O-CA 3.41Å; C488-L616 HydrophobicContact CB-CB 4.32Å; C488-L616 PolarHBondContact O-N 3.09Å
489	L	98.4	Very high	98.2	Very high	10 Å²	10	10.7 Å²	10.7	5%	0.052	5%	0.053	C	C	.	.	H	α-helix	trans	-74.4	-29.8	-174	-74.2	162.6	0	0	0	115	W275 V457 I460 E461 A485 Q486 V615	W275-L489 HydrophobicContact CE3-CD1 4.32Å; W275-L489 HydrophobicContact CH2-CB 3.92Å; W275-L489 HydrophobicContact CH2-CD1 3.98Å; W275-L489 HydrophobicContact CH2-CD2 4.38Å; W275-L489 HydrophobicContact CH2-CG 4.32Å; W275-L489 HydrophobicContact CZ2-CB 3.83Å; W275-L489 HydrophobicContact CZ3-CD1 3.92Å; V457-L489 HydrophobicContact CG1-CD2 3.95Å; V457-L489 HydrophobicContact CG1-CG 4.18Å; V457-L489 HydrophobicContact CG2-CD1 4.5Å; V457-L489 HydrophobicContact CG2-CG 4.21Å; I460-L489 HydrophobicContact CB-CD1 4.18Å; I460-L489 HydrophobicContact CB-CD2 4.36Å; I460-L489 HydrophobicContact CD1-CD1 3.88Å; I460-L489 HydrophobicContact CG2-CD1 3.87Å; I460-L489 HydrophobicContact CG2-CD2 3.91Å; E461-L489 HydrophobicContact CB-CD2 3.77Å; A485-L489 WeakPolarHBondContact O-CB 3.45Å; A485-L489 WeakPolarHBondContact O-CD1 3.18Å; A485-L489 VanDerWaalsContact O-CG 3.24Å; A485-L489 WeakPolarHBondContact O-CG 3.42Å; A485-L489 PolarHBondContact O-N 3.09Å; Q486-L489 PolarHBondContact O-N 3.48Å; L489-V615 HydrophobicContact CD2-CG1 4.2Å; L489-V615 HydrophobicContact CD2-CG2 4.39Å
490	D	97.6	Very high	98.2	Very high	17 Å²	17	11.3 Å²	11.3	9%	0.091	6%	0.055	C	C	.	.			trans	-131.5	109.5	-163.8	-173.1	-15.5	0	0	0	111	R219 W275 Q486 Y492 Y493	R219-D490 IonicContact CZ-OD2 2.82Å; R219-D490 VanDerWaalsContact CZ-OD2 3.27Å; R219-D490 VanDerWaalsContact NH1-CG 3.32Å; R219-D490 IonicContact NH1-OD1 3.79Å; R219-D490 PolarHBondContact NH1-OD1 3.15Å; R219-D490 VanDerWaalsContact NH1-OD1 3.07Å; R219-D490 IonicContact NH1-OD2 4Å; R219-D490 PolarHBondContact NH1-OD2 3.18Å; R219-D490 IonicContact NH2-OD2 2.73Å; R219-D490 PolarHBondContact NH2-OD2 3.11Å; W275-D490 HydrophobicContact CZ2-CB 4.22Å; W275-D490 PolarHBondContact NE1-OD2 3.25Å; Q486-D490 WeakPolarHBondContact O-CB 3.46Å; Q486-D490 PolarHBondContact O-N 3.04Å; D490-Y492 PolarHBondContact O-N 3.46Å; D490-Y492 VanDerWaalsContact O-N 3.09Å; D490-Y492 VanDerWaalsContact OD1-CB 3.27Å; D490-Y492 WeakPolarHBondContact OD1-CB 3.1Å; D490-Y492 PolarHBondContact OD1-N 3.19Å; D490-Y492 VanDerWaalsContact OD1-N 3.12Å; D490-Y493 HydrophobicContact CB-CD2 3.68Å; D490-Y493 HydrophobicContact CB-CE2 3.63Å; D490-Y493 PolarHBondContact O-N 2.86Å; D490-Y493 WeakPolarHBondContact OD2-CE2 3.38Å
491	P	97.3	Very high	98.1	Very high	22 Å²	22	11.3 Å²	11.3	14%	0.143	6%	0.055	C	C	.	.	G	3₁₀ helix	trans	-57.8	-22.1	-179.4	-26	35	0	0	0	114.6	Y493 R494 E611 K614	P491-Y493 VanDerWaalsContact C-N 3.35Å; P491-Y493 PolarHBondContact O-N 3.47Å; P491-R494 WeakPolarHBondContact O-CB 3.08Å; P491-R494 PolarHBondContact O-N 3.31Å; P491-R494 VanDerWaalsContact O-N 3.14Å; P491-E611 HydrophobicContact CB-CG 4.38Å; P491-E611 HydrophobicContact CG-CG 4.49Å; P491-K614 WeakPolarHBondContact CD-O 3.5Å
492	Y	97.6	Very high	98.1	Very high	60 Å²	60	11.3 Å²	11.3	24%	0.235	6%	0.055	C	C	.	.	G	3₁₀ helix	trans	-57	-47.2	178.2	172	-114.7	0	0	0	111.6	R219 D490 R494 T495 G498 V501	R219-Y492 VanDerWaalsContact NH1-CB 3.33Å; D490-Y492 PolarHBondContact O-N 3.46Å; D490-Y492 VanDerWaalsContact O-N 3.09Å; D490-Y492 VanDerWaalsContact OD1-CB 3.27Å; D490-Y492 WeakPolarHBondContact OD1-CB 3.1Å; D490-Y492 PolarHBondContact OD1-N 3.19Å; D490-Y492 VanDerWaalsContact OD1-N 3.12Å; Y492-R494 PolarHBondContact O-N 3.4Å; Y492-T495 WeakPolarHBondContact O-CB 3.28Å; Y492-T495 WeakPolarHBondContact O-CG2 3.47Å; Y492-T495 PolarHBondContact O-N 3.04Å; Y492-T495 PolarHBondContact O-OG1 3.33Å; Y492-G498 WeakPolarHBondContact O-CA 3.4Å; Y492-V501 HydrophobicContact CE1-CB 4.34Å; Y492-V501 HydrophobicContact CE1-CG1 4.35Å
493	Y	98.3	Very high	98.1	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.055	C	C	.	.	G	3₁₀ helix	trans	-70.6	-4.8	-177.2	-49.3	-64.8	0	0	0	114.3	E216 R219 W275 Q486 L487 D490 P491 G498 F499 L502 R505	E216-Y493 PolarHBondContact OE1-OH 2.67Å; R219-Y493 VanDerWaalsContact NH2-CZ 3.31Å; R219-Y493 PolarHBondContact NH2-OH 3.27Å; W275-Y493 AromaticContact CD1-CE2 3.83Å; W275-Y493 AromaticContact NE1-CE2 3.94Å; Q486-Y493 HydrophobicContact CB-CD2 3.84Å; Q486-Y493 HydrophobicContact CB-CE2 3.61Å; Q486-Y493 HydrophobicContact CG-CE2 4.17Å; Q486-Y493 WeakPolarHBondContact O-CD2 3.49Å; Q486-Y493 PolarHBondContact OE1-OH 3.43Å; L487-Y493 WeakPolarHBondContact CD1-O 3.25Å; D490-Y493 HydrophobicContact CB-CD2 3.68Å; D490-Y493 HydrophobicContact CB-CE2 3.63Å; D490-Y493 PolarHBondContact O-N 2.86Å; D490-Y493 WeakPolarHBondContact OD2-CE2 3.38Å; P491-Y493 VanDerWaalsContact C-N 3.35Å; P491-Y493 PolarHBondContact O-N 3.47Å; Y493-G498 WeakPolarHBondContact CD1-O 3.48Å; Y493-F499 WeakPolarHBondContact O-CA 3.12Å; Y493-F499 WeakPolarHBondContact O-CB 3.45Å; Y493-F499 WeakPolarHBondContact O-CD2 3.41Å; Y493-F499 PolarHBondContact O-N 3.39Å; Y493-L502 HydrophobicContact CD1-CB 3.87Å; Y493-L502 HydrophobicContact CD1-CD1 4.07Å; Y493-L502 HydrophobicContact CD1-CG 4.48Å; Y493-L502 HydrophobicContact CD2-CD1 4.37Å; Y493-L502 HydrophobicContact CE1-CD1 4.31Å; Y493-L502 HydrophobicContact CG-CB 4.25Å; Y493-L502 HydrophobicContact CG-CD1 4.07Å; Y493-L502 HydrophobicContact CG-CD2 4.46Å; Y493-R505 PolarHBondContact OH-NH2 3.4Å
494	R	98.3	Very high	98	Very high	2 Å²	2	12 Å²	12	1%	0.008	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-90.3	-9.8	172.9	-46	-175.6	-152.1	131.3	9.5	112.1	L487 C488 P491 Y492 S551 F552 E553 E613 K614	L487-R494 HydrophobicContact CD1-CG 3.99Å; L487-R494 HydrophobicContact CG-CG 4.48Å; L487-R494 PolarHBondContact O-NE 3.04Å; C488-R494 PolarHBondContact O-NH2 2.93Å; P491-R494 WeakPolarHBondContact O-CB 3.08Å; P491-R494 PolarHBondContact O-N 3.31Å; P491-R494 VanDerWaalsContact O-N 3.14Å; Y492-R494 PolarHBondContact O-N 3.4Å; R494-S551 VanDerWaalsContact CB-O 3.22Å; R494-S551 WeakPolarHBondContact CB-O 3.43Å; R494-S551 WeakPolarHBondContact CD-O 3.38Å; R494-F552 HydrophobicContact CB-CD1 3.59Å; R494-F552 HydrophobicContact CB-CE1 3.94Å; R494-F552 HydrophobicContact CB-CG 4.26Å; R494-F552 HydrophobicContact CG-CD1 3.93Å; R494-F552 HydrophobicContact CG-CE1 3.72Å; R494-F552 HydrophobicContact CG-CZ 4.38Å; R494-F552 WeakPolarHBondContact O-CA 3.48Å; R494-E553 PolarHBondContact O-N 3.35Å; R494-E613 PolarHBondContact NH1-O 2.94Å; R494-K614 PolarHBondContact NH2-O 3.15Å
495	T	97.6	Very high	97.9	Very high	19 Å²	19	13.6 Å²	13.6	12%	0.117	6%	0.064	C	C	.	.	S	Bend	trans	-73.1	159.3	165	69.6	0	0	0	0	110.6	Y492 E497 G498 F499 E553	Y492-T495 WeakPolarHBondContact O-CB 3.28Å; Y492-T495 WeakPolarHBondContact O-CG2 3.47Å; Y492-T495 PolarHBondContact O-N 3.04Å; Y492-T495 PolarHBondContact O-OG1 3.33Å; T495-E497 VanDerWaalsContact C-N 3.33Å; T495-E497 PolarHBondContact O-N 3.48Å; T495-G498 PolarHBondContact O-N 2.9Å; T495-G498 PolarHBondContact OG1-N 3.16Å; T495-F499 VanDerWaalsContact O-CB 3.27Å; T495-F499 WeakPolarHBondContact O-CB 3.28Å; T495-F499 PolarHBondContact O-N 2.93Å; T495-E553 WeakPolarHBondContact CA-OE2 3.43Å; T495-E553 VanDerWaalsContact CB-OE2 3.29Å; T495-E553 WeakPolarHBondContact CB-OE2 3.3Å
496	V	97.4	Very high	97.9	Very high	10 Å²	10	13.6 Å²	13.6	6%	0.061	6%	0.064	C	C	.	.	H	α-helix	trans	-57.9	-46.7	174.5	170.2	0	0	0	0	110.7	R500 E553 F554 Y558 A599 R604	V496-R500 PolarHBondContact O-N 3.27Å; V496-R500 VanDerWaalsContact O-N 3.09Å; V496-E553 HydrophobicContact CG2-CB 4.29Å; V496-E553 HydrophobicContact CG2-CG 4.06Å; V496-E553 PolarHBondContact N-OE2 2.94Å; V496-F554 HydrophobicContact CG2-CB 4.13Å; V496-Y558 HydrophobicContact CG1-CE2 4.14Å; V496-A599 HydrophobicContact CG1-CB 4.26Å; V496-R604 HydrophobicContact CG2-CG 4.44Å
497	E	96.1	Very high	97.9	Very high	79 Å²	79	13.6 Å²	13.6	37%	0.369	6%	0.064	S	C	.	.	H	α-helix	trans	-71.9	-40.1	-179	175.3	63	176.4	0	0	112.2	T495 R500 V501	T495-E497 VanDerWaalsContact C-N 3.33Å; T495-E497 PolarHBondContact O-N 3.48Å; E497-R500 WeakPolarHBondContact O-CB 3.07Å; E497-R500 PolarHBondContact O-N 3.41Å; E497-R500 IonicContact OE1-CZ 2.91Å; E497-R500 IonicContact OE1-NE 2.78Å; E497-R500 PolarHBondContact OE1-NE 3.42Å; E497-R500 IonicContact OE1-NH2 2.67Å; E497-R500 PolarHBondContact OE1-NH2 3.49Å; E497-R500 IonicContact OE2-CZ 3.59Å; E497-R500 IonicContact OE2-NE 3.69Å; E497-R500 PolarHBondContact OE2-NE 3.34Å; E497-R500 IonicContact OE2-NH2 2.71Å; E497-V501 WeakPolarHBondContact O-CG2 3.21Å; E497-V501 PolarHBondContact O-N 3.13Å
498	G	97.6	Very high	97.9	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-68.7	-36.9	175.4	0	0	0	0	0	112.6	Y492 Y493 T495 R500 V501 L502	Y492-G498 WeakPolarHBondContact O-CA 3.4Å; Y493-G498 WeakPolarHBondContact CD1-O 3.48Å; T495-G498 PolarHBondContact O-N 2.9Å; T495-G498 PolarHBondContact OG1-N 3.16Å; G498-R500 VanDerWaalsContact C-N 3.34Å; G498-V501 PolarHBondContact O-N 3.09Å; G498-L502 WeakPolarHBondContact O-CB 3.38Å; G498-L502 PolarHBondContact O-N 3.08Å
499	F	98.6	Very high	97.8	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-67.5	-35.8	175.8	-163.5	-99	0	0	0	111.7	L487 Y493 T495 L502 V503 W537 L538 V541 F554 Y558 L559 L562	L487-F499 HydrophobicContact CD1-CD2 3.89Å; L487-F499 HydrophobicContact CD1-CE2 4.17Å; L487-F499 HydrophobicContact CD2-CE2 4.32Å; Y493-F499 WeakPolarHBondContact O-CA 3.12Å; Y493-F499 WeakPolarHBondContact O-CB 3.45Å; Y493-F499 WeakPolarHBondContact O-CD2 3.41Å; Y493-F499 PolarHBondContact O-N 3.39Å; T495-F499 VanDerWaalsContact O-CB 3.27Å; T495-F499 WeakPolarHBondContact O-CB 3.28Å; T495-F499 PolarHBondContact O-N 2.93Å; F499-L502 HydrophobicContact CD2-CD2 4.23Å; F499-L502 HydrophobicContact CE2-CD2 4.34Å; F499-L502 PolarHBondContact O-N 3.19Å; F499-V503 HydrophobicContact CD1-CG2 4.29Å; F499-V503 HydrophobicContact CE1-CG2 3.99Å; F499-V503 HydrophobicContact CZ-CG2 4.41Å; F499-V503 WeakPolarHBondContact O-CG2 3.49Å; F499-V503 PolarHBondContact O-N 3Å; F499-V503 VanDerWaalsContact O-N 3.08Å; F499-W537 HydrophobicContact CE1-CH2 4.29Å; F499-W537 HydrophobicContact CE1-CZ3 4.4Å; F499-W537 AromaticContact CE2-CH2 3.62Å; F499-W537 HydrophobicContact CE2-CH2 3.62Å; F499-W537 HydrophobicContact CE2-CZ2 4.21Å; F499-W537 HydrophobicContact CE2-CZ3 4.39Å; F499-W537 AromaticContact CZ-CH2 3.42Å; F499-W537 HydrophobicContact CZ-CH2 3.42Å; F499-W537 VanDerWaalsContact CZ-CH2 3.42Å; F499-W537 HydrophobicContact CZ-CZ2 4.35Å; F499-W537 AromaticContact CZ-CZ3 3.74Å; F499-W537 HydrophobicContact CZ-CZ3 3.74Å; F499-L538 HydrophobicContact CZ-CD2 4.37Å; F499-V541 HydrophobicContact CE2-CG1 3.86Å; F499-V541 HydrophobicContact CE2-CG2 4.15Å; F499-V541 HydrophobicContact CZ-CG1 4Å; F499-V541 HydrophobicContact CZ-CG2 4.24Å; F499-F554 HydrophobicContact CB-CD1 3.91Å; F499-F554 HydrophobicContact CB-CE1 3.62Å; F499-F554 HydrophobicContact CD1-CE1 4.25Å; F499-F554 HydrophobicContact CD1-CZ 4.47Å; F499-F554 HydrophobicContact CD2-CD1 4.47Å; F499-F554 AromaticContact CD2-CE1 3.47Å; F499-F554 HydrophobicContact CD2-CE1 3.47Å; F499-F554 VanDerWaalsContact CD2-CE1 3.47Å; F499-F554 AromaticContact CD2-CZ 3.6Å; F499-F554 HydrophobicContact CD2-CZ 3.6Å; F499-F554 HydrophobicContact CE2-CE1 4.17Å; F499-F554 AromaticContact CE2-CZ 3.81Å; F499-F554 HydrophobicContact CE2-CZ 3.81Å; F499-F554 HydrophobicContact CG-CD1 4.09Å; F499-F554 AromaticContact CG-CE1 3.5Å; F499-F554 HydrophobicContact CG-CE1 3.5Å; F499-F554 AromaticContact CG-CZ 3.95Å; F499-F554 HydrophobicContact CG-CZ 3.95Å; F499-F554 HydrophobicContact CZ-CZ 4.33Å; F499-Y558 AromaticContact CD1-CE1 3.63Å; F499-Y558 HydrophobicContact CD1-CE1 3.63Å; F499-Y558 AromaticContact CE1-CE1 3.99Å; F499-Y558 HydrophobicContact CE1-CE1 3.99Å; F499-L559 HydrophobicContact CE1-CD2 4.14Å; F499-L559 HydrophobicContact CZ-CD2 3.99Å; F499-L562 HydrophobicContact CD1-CD2 4.45Å; F499-L562 HydrophobicContact CE1-CD2 3.68Å
500	R	97.6	Very high	97.8	Very high	12 Å²	12	14 Å²	14	5%	0.045	7%	0.066	C	C	.	.	H	α-helix	trans	-54.8	-54.8	165.9	176.4	-167.1	76.4	76.9	-7.9	110.8	D212 V496 E497 G498 L502 V503 E504 W595	D212-R500 IonicContact OD1-CZ 2.78Å; D212-R500 IonicContact OD1-NH1 3.52Å; D212-R500 IonicContact OD1-NH2 3.62Å; D212-R500 PolarHBondContact OD1-NH2 2.75Å; D212-R500 IonicContact OD2-CZ 2.73Å; D212-R500 IonicContact OD2-NH1 2.78Å; D212-R500 PolarHBondContact OD2-NH1 3.27Å; D212-R500 IonicContact OD2-NH2 3.63Å; D212-R500 PolarHBondContact OD2-NH2 2.72Å; V496-R500 PolarHBondContact O-N 3.27Å; V496-R500 VanDerWaalsContact O-N 3.09Å; E497-R500 WeakPolarHBondContact O-CB 3.07Å; E497-R500 PolarHBondContact O-N 3.41Å; E497-R500 IonicContact OE1-CZ 2.91Å; E497-R500 IonicContact OE1-NE 2.78Å; E497-R500 PolarHBondContact OE1-NE 3.42Å; E497-R500 IonicContact OE1-NH2 2.67Å; E497-R500 PolarHBondContact OE1-NH2 3.49Å; E497-R500 IonicContact OE2-CZ 3.59Å; E497-R500 IonicContact OE2-NE 3.69Å; E497-R500 PolarHBondContact OE2-NE 3.34Å; E497-R500 IonicContact OE2-NH2 2.71Å; G498-R500 VanDerWaalsContact C-N 3.34Å; R500-L502 VanDerWaalsContact C-N 3.28Å; R500-L502 PolarHBondContact O-N 3.27Å; R500-V503 PolarHBondContact O-N 2.94Å; R500-E504 HydrophobicContact CG-CG 4.27Å; R500-E504 WeakPolarHBondContact O-CB 3.47Å; R500-E504 WeakPolarHBondContact O-CG 3.42Å; R500-E504 PolarHBondContact O-N 3.09Å; R500-W595 HydrophobicContact CB-CD2 4.31Å; R500-W595 HydrophobicContact CB-CE3 4.31Å; R500-W595 HydrophobicContact CG-CB 4.21Å; R500-W595 HydrophobicContact CG-CD2 3.65Å; R500-W595 HydrophobicContact CG-CE3 4.16Å; R500-W595 HydrophobicContact CG-CG 3.65Å
501	V	97.7	Very high	97.8	Very high	6 Å²	6	13.2 Å²	13.2	4%	0.036	6%	0.062	C	C	.	.	H	α-helix	trans	-60.9	-36.2	-178.7	169.6	0	0	0	0	112	E216 Y492 E497 G498 R505	E216-V501 HydrophobicContact CG-CG1 4.47Å; Y492-V501 HydrophobicContact CE1-CB 4.34Å; Y492-V501 HydrophobicContact CE1-CG1 4.35Å; E497-V501 WeakPolarHBondContact O-CG2 3.21Å; E497-V501 PolarHBondContact O-N 3.13Å; G498-V501 PolarHBondContact O-N 3.09Å; V501-R505 WeakPolarHBondContact O-CB 3.33Å; V501-R505 PolarHBondContact O-N 3.37Å
502	L	98.7	Very high	97.9	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-62.1	-48.2	175.6	-174.4	68.1	0	0	0	111.9	A483 Q486 L487 Y493 G498 F499 R500 E506 W537	A483-L502 HydrophobicContact CB-CD1 4.05Å; A483-L502 HydrophobicContact CB-CD2 4.26Å; A483-L502 HydrophobicContact CB-CG 4.1Å; Q486-L502 HydrophobicContact CB-CD1 3.89Å; L487-L502 HydrophobicContact CB-CD2 4.22Å; L487-L502 HydrophobicContact CD1-CD2 4.05Å; Y493-L502 HydrophobicContact CD1-CB 3.87Å; Y493-L502 HydrophobicContact CD1-CD1 4.07Å; Y493-L502 HydrophobicContact CD1-CG 4.48Å; Y493-L502 HydrophobicContact CD2-CD1 4.37Å; Y493-L502 HydrophobicContact CE1-CD1 4.31Å; Y493-L502 HydrophobicContact CG-CB 4.25Å; Y493-L502 HydrophobicContact CG-CD1 4.07Å; Y493-L502 HydrophobicContact CG-CD2 4.46Å; G498-L502 WeakPolarHBondContact O-CB 3.38Å; G498-L502 PolarHBondContact O-N 3.08Å; F499-L502 HydrophobicContact CD2-CD2 4.23Å; F499-L502 HydrophobicContact CE2-CD2 4.34Å; F499-L502 PolarHBondContact O-N 3.19Å; R500-L502 VanDerWaalsContact C-N 3.28Å; R500-L502 PolarHBondContact O-N 3.27Å; L502-E506 HydrophobicContact CD1-CG 3.99Å; L502-E506 WeakPolarHBondContact O-CB 3.46Å; L502-E506 PolarHBondContact O-N 3.47Å; L502-W537 HydrophobicContact CD2-CH2 4.13Å; L502-W537 HydrophobicContact CD2-CZ2 3.91Å
503	V	98.8	Very high	97.9	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-70.3	-44.5	178.7	179	0	0	0	0	111.2	F499 R500 R505 W507 L508 F534 W537 F574 W595	F499-V503 HydrophobicContact CD1-CG2 4.29Å; F499-V503 HydrophobicContact CE1-CG2 3.99Å; F499-V503 HydrophobicContact CZ-CG2 4.41Å; F499-V503 WeakPolarHBondContact O-CG2 3.49Å; F499-V503 PolarHBondContact O-N 3Å; F499-V503 VanDerWaalsContact O-N 3.08Å; R500-V503 PolarHBondContact O-N 2.94Å; V503-R505 PolarHBondContact O-N 2.77Å; V503-W507 HydrophobicContact CG1-CB 4.3Å; V503-W507 WeakPolarHBondContact O-CB 3.47Å; V503-W507 PolarHBondContact O-N 2.89Å; V503-W507 VanDerWaalsContact O-N 3.11Å; V503-L508 HydrophobicContact CG1-CD1 4.4Å; V503-L508 PolarHBondContact O-N 3.23Å; V503-L508 VanDerWaalsContact O-N 3.09Å; V503-F534 HydrophobicContact CG1-CE2 3.99Å; V503-F534 HydrophobicContact CG1-CZ 3.87Å; V503-F534 HydrophobicContact CG2-CE2 4.46Å; V503-F534 HydrophobicContact CG2-CZ 4.45Å; V503-W537 HydrophobicContact CG2-CH2 3.77Å; V503-W537 HydrophobicContact CG2-CZ3 3.69Å; V503-F574 HydrophobicContact CG1-CE1 3.91Å; V503-F574 HydrophobicContact CG1-CZ 4Å; V503-W595 HydrophobicContact CB-CH2 3.83Å; V503-W595 HydrophobicContact CB-CZ2 4.22Å; V503-W595 HydrophobicContact CG1-CH2 3.78Å; V503-W595 HydrophobicContact CG1-CZ2 4.07Å; V503-W595 HydrophobicContact CG2-CH2 4.39Å
504	E	97.6	Very high	97.9	Very high	15 Å²	15	11.3 Å²	11.3	7%	0.07	5%	0.053	C	C	.	.	I	π-helix	trans	-56	-50.1	174.6	-79.3	-73	-177.3	0	0	111.3	R500 L508 N509 W595	R500-E504 HydrophobicContact CG-CG 4.27Å; R500-E504 WeakPolarHBondContact O-CB 3.47Å; R500-E504 WeakPolarHBondContact O-CG 3.42Å; R500-E504 PolarHBondContact O-N 3.09Å; E504-L508 HydrophobicContact CG-CD1 4.49Å; E504-L508 WeakPolarHBondContact O-CB 3.23Å; E504-L508 PolarHBondContact O-N 3.25Å; E504-N509 VanDerWaalsContact O-CB 3.24Å; E504-N509 WeakPolarHBondContact O-CB 3.47Å; E504-N509 PolarHBondContact O-N 2.64Å; E504-N509 PolarHBondContact O-ND2 2.91Å; E504-W595 HydrophobicContact CG-CZ2 4.23Å; E504-W595 PolarHBondContact OE1-NE1 2.82Å
505	R	96.8	Very high	97.8	Very high	33 Å²	33	11.6 Å²	11.6	13%	0.125	6%	0.056	C	C	.	.	I	π-helix	trans	-69.1	-64.4	179	-168.9	174.6	68.3	-143.1	-17	111.9	E216 V274 Y493 V501 V503 W507 F510	E216-R505 VanDerWaalsContact CD-NH1 3.33Å; E216-R505 IonicContact OE1-CZ 3.81Å; E216-R505 IonicContact OE1-NH1 3.07Å; E216-R505 PolarHBondContact OE1-NH1 2.83Å; E216-R505 IonicContact OE1-NH2 2.91Å; V274-R505 PolarHBondContact O-NH1 3.42Å; V274-R505 VanDerWaalsContact O-NH1 3.13Å; V274-R505 PolarHBondContact O-NH2 3.48Å; Y493-R505 PolarHBondContact OH-NH2 3.4Å; V501-R505 WeakPolarHBondContact O-CB 3.33Å; V501-R505 PolarHBondContact O-N 3.37Å; V503-R505 PolarHBondContact O-N 2.77Å; R505-W507 PolarHBondContact O-N 3.27Å; R505-F510 HydrophobicContact CG-CD2 4.1Å; R505-F510 HydrophobicContact CG-CE2 4.04Å; R505-F510 WeakPolarHBondContact O-CD2 3.31Å; R505-F510 PolarHBondContact O-N 2.71Å; R505-F510 VanDerWaalsContact O-N 3.09Å
506	E	98.4	Very high	97.7	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.056	C	C	.	.	I	π-helix	trans	-74.7	-28.6	-163.5	-59.6	-53.8	149.2	0	0	114	V274 R286 P479 V482 A483 Q486 L502	V274-E506 WeakPolarHBondContact CB-OE1 3.41Å; R286-E506 IonicContact CZ-OE2 3.69Å; R286-E506 PolarHBondContact NH1-O 2.71Å; R286-E506 IonicContact NH1-OE2 2.68Å; R286-E506 PolarHBondContact NH1-OE2 3.47Å; P479-E506 WeakPolarHBondContact CB-O 3.32Å; V482-E506 HydrophobicContact CG1-CG 4.47Å; V482-E506 WeakPolarHBondContact CG1-OE2 3.21Å; A483-E506 HydrophobicContact CB-CB 4.03Å; A483-E506 HydrophobicContact CB-CG 4.1Å; Q486-E506 VanDerWaalsContact NE2-CD 3.32Å; Q486-E506 PolarHBondContact NE2-OE1 3.27Å; Q486-E506 PolarHBondContact OE1-OE1 3.48Å; L502-E506 HydrophobicContact CD1-CG 3.99Å; L502-E506 WeakPolarHBondContact O-CB 3.46Å; L502-E506 PolarHBondContact O-N 3.47Å
507	W	98.7	Very high	97.7	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.056	C	C	.	.	I	π-helix	trans	-104	-53.3	-177.5	-67.4	85.9	0	0	0	111.7	P479 Q480 V503 R505 G511 H512 F514 V533 F534 W537	P479-W507 HydrophobicContact CB-CD2 4.12Å; P479-W507 HydrophobicContact CB-CE3 4.45Å; P479-W507 HydrophobicContact CB-CZ2 4.21Å; P479-W507 HydrophobicContact CG-CE3 4.4Å; P479-W507 HydrophobicContact CG-CH2 4.44Å; P479-W507 HydrophobicContact CG-CZ3 4.35Å; Q480-W507 HydrophobicContact CG-CH2 3.57Å; Q480-W507 HydrophobicContact CG-CZ2 3.91Å; V503-W507 HydrophobicContact CG1-CB 4.3Å; V503-W507 WeakPolarHBondContact O-CB 3.47Å; V503-W507 PolarHBondContact O-N 2.89Å; V503-W507 VanDerWaalsContact O-N 3.11Å; R505-W507 PolarHBondContact O-N 3.27Å; W507-G511 PolarHBondContact O-N 2.83Å; W507-H512 HydrophobicContact CE3-CB 3.8Å; W507-H512 AromaticContact CE3-CD2 3.69Å; W507-H512 AromaticContact CE3-CG 3.54Å; W507-H512 AromaticContact CE3-ND1 3.98Å; W507-H512 HydrophobicContact CZ3-CB 4.48Å; W507-H512 AromaticContact CZ3-CD2 3.86Å; W507-H512 AromaticContact CZ3-CE1 3.85Å; W507-H512 AromaticContact CZ3-CG 3.79Å; W507-H512 AromaticContact CZ3-ND1 3.78Å; W507-H512 AromaticContact CZ3-NE2 3.89Å; W507-H512 VanDerWaalsContact O-CB 3.31Å; W507-H512 WeakPolarHBondContact O-CB 3.42Å; W507-H512 PolarHBondContact O-N 3.36Å; W507-F514 HydrophobicContact CB-CE2 3.93Å; W507-F514 HydrophobicContact CB-CZ 4.02Å; W507-F514 HydrophobicContact CE3-CZ 4.2Å; W507-V533 HydrophobicContact CH2-CG1 4.1Å; W507-V533 HydrophobicContact CZ3-CG1 4.1Å; W507-F534 AromaticContact CD2-CD2 3.55Å; W507-F534 HydrophobicContact CD2-CD2 3.55Å; W507-F534 AromaticContact CD2-CE2 3.95Å; W507-F534 HydrophobicContact CD2-CE2 3.95Å; W507-F534 AromaticContact CE2-CD2 3.85Å; W507-F534 HydrophobicContact CE3-CB 4.26Å; W507-F534 AromaticContact CE3-CD2 3.57Å; W507-F534 HydrophobicContact CE3-CD2 3.57Å; W507-F534 HydrophobicContact CE3-CE2 4.38Å; W507-F534 HydrophobicContact CE3-CG 4.35Å; W507-F534 HydrophobicContact CG-CD2 4.07Å; W507-F534 AromaticContact CG-CE2 3.99Å; W507-F534 HydrophobicContact CG-CE2 3.99Å; W507-F534 HydrophobicContact CH2-CB 4.47Å; W507-F534 HydrophobicContact CH2-CD2 4.17Å; W507-F534 HydrophobicContact CZ2-CD2 4.17Å; W507-F534 HydrophobicContact CZ3-CB 3.96Å; W507-F534 AromaticContact CZ3-CD2 3.88Å; W507-F534 HydrophobicContact CZ3-CD2 3.88Å; W507-F534 HydrophobicContact CZ3-CG 4.43Å; W507-W537 AromaticContact CE2-CD2 3.87Å; W507-W537 AromaticContact CE2-CE3 3.97Å; W507-W537 HydrophobicContact CH2-CB 3.83Å; W507-W537 HydrophobicContact CH2-CG 4.23Å; W507-W537 HydrophobicContact CZ2-CB 3.48Å; W507-W537 VanDerWaalsContact CZ2-CB 3.48Å; W507-W537 AromaticContact CZ2-CD1 3.97Å; W507-W537 AromaticContact CZ2-CD2 3.68Å; W507-W537 HydrophobicContact CZ2-CD2 3.68Å; W507-W537 HydrophobicContact CZ2-CE3 4.1Å; W507-W537 AromaticContact CZ2-CG 3.39Å; W507-W537 HydrophobicContact CZ2-CG 3.39Å; W507-W537 AromaticContact NE1-CD2 3.66Å; W507-W537 AromaticContact NE1-CE2 3.84Å; W507-W537 AromaticContact NE1-CE3 3.69Å; W507-W537 AromaticContact NE1-CZ3 3.9Å
508	L	98.1	Very high	97.5	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.005	4%	0.043	C	C	.	.	I	π-helix	trans	-81	-45.4	-171.1	-67.6	171.1	0	0	0	112.9	V503 E504 F514 T573 F574 R582 W595	V503-L508 HydrophobicContact CG1-CD1 4.4Å; V503-L508 PolarHBondContact O-N 3.23Å; V503-L508 VanDerWaalsContact O-N 3.09Å; E504-L508 HydrophobicContact CG-CD1 4.49Å; E504-L508 WeakPolarHBondContact O-CB 3.23Å; E504-L508 PolarHBondContact O-N 3.25Å; L508-F514 HydrophobicContact CD2-CD2 3.73Å; L508-F514 HydrophobicContact CD2-CE2 3.53Å; L508-F514 HydrophobicContact CD2-CZ 4.31Å; L508-F514 HydrophobicContact CG-CE2 4.21Å; L508-T573 HydrophobicContact CD1-CG2 3.6Å; L508-T573 WeakPolarHBondContact CD2-O 3.15Å; L508-F574 HydrophobicContact CD1-CE1 4.13Å; L508-F574 HydrophobicContact CD2-CD1 3.83Å; L508-F574 HydrophobicContact CD2-CE1 4.12Å; L508-F574 HydrophobicContact CG-CE1 4.31Å; L508-R582 VanDerWaalsContact C-NH2 3.33Å; L508-R582 PolarHBondContact O-NH2 3.22Å; L508-W595 HydrophobicContact CD1-CZ2 4.27Å
509	N	97.1	Very high	97.3	Very high	10 Å²	10	9.1 Å²	9.1	5%	0.053	5%	0.046	C	C	.	.	I	π-helix	trans	-85.5	-31.2	-174.8	-66	-38.5	0	0	0	113.1	Y243 P244 E504 G511 L579	Y243-N509 CarbonylContact C-O 3.42Å; P244-N509 HydrophobicContact CB-CB 4.46Å; P244-N509 WeakPolarHBondContact CD-O 3.22Å; E504-N509 VanDerWaalsContact O-CB 3.24Å; E504-N509 WeakPolarHBondContact O-CB 3.47Å; E504-N509 PolarHBondContact O-N 2.64Å; E504-N509 PolarHBondContact O-ND2 2.91Å; N509-G511 PolarHBondContact O-N 2.89Å; N509-L579 HydrophobicContact CB-CD2 4.42Å; N509-L579 WeakPolarHBondContact OD1-CD1 3.36Å; N509-L579 WeakPolarHBondContact OD1-CD2 3.17Å
510	F	98.3	Very high	96.8	Very high	8 Å²	8	9.8 Å²	9.8	4%	0.035	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	11.5	167.8	-85.7	-74.9	0	0	0	114.3	S242 Y243 P244 R269 A272 V274 R286 R505	S242-F510 CarbonylContact O-C 3.13Å; Y243-F510 AromaticContact CD1-CD1 3.63Å; Y243-F510 HydrophobicContact CD1-CD1 3.63Å; Y243-F510 HydrophobicContact CD1-CE1 4.03Å; Y243-F510 HydrophobicContact CD2-CE1 4.08Å; Y243-F510 AromaticContact CE1-CD1 3.57Å; Y243-F510 HydrophobicContact CE1-CD1 3.57Å; Y243-F510 AromaticContact CE1-CE1 3.91Å; Y243-F510 HydrophobicContact CE1-CE1 3.91Å; Y243-F510 HydrophobicContact CE2-CD1 4.47Å; Y243-F510 AromaticContact CE2-CE1 3.98Å; Y243-F510 HydrophobicContact CE2-CE1 3.98Å; Y243-F510 HydrophobicContact CG-CD1 4.1Å; Y243-F510 HydrophobicContact CG-CE1 4.09Å; Y243-F510 AromaticContact CZ-CE1 3.88Å; P244-F510 HydrophobicContact CG-CD1 4.36Å; P244-F510 HydrophobicContact CG-CD2 4.42Å; P244-F510 HydrophobicContact CG-CE1 3.98Å; P244-F510 HydrophobicContact CG-CE2 4.03Å; P244-F510 HydrophobicContact CG-CZ 3.8Å; R269-F510 VanDerWaalsContact CZ-O 3.32Å; R269-F510 PolarHBondContact NH1-O 3.16Å; R269-F510 PolarHBondContact NH2-O 3.37Å; A272-F510 HydrophobicContact CB-CE1 3.88Å; A272-F510 HydrophobicContact CB-CZ 4Å; V274-F510 HydrophobicContact CG1-CD2 4.26Å; V274-F510 HydrophobicContact CG1-CE2 3.42Å; V274-F510 VanDerWaalsContact CG1-CE2 3.42Å; V274-F510 HydrophobicContact CG1-CZ 3.64Å; R286-F510 HydrophobicContact CG-CE1 4.39Å; R505-F510 HydrophobicContact CG-CD2 4.1Å; R505-F510 HydrophobicContact CG-CE2 4.04Å; R505-F510 WeakPolarHBondContact O-CD2 3.31Å; R505-F510 PolarHBondContact O-N 2.71Å; R505-F510 VanDerWaalsContact O-N 3.09Å
511	G	97.9	Very high	96.3	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.01	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	55.8	164.7	0	0	0	0	0	115.1	S242 W475 W507 N509 N577	S242-G511 PolarHBondContact O-N 3.35Å; W475-G511 VanDerWaalsContact CB-O 3.31Å; W475-G511 WeakPolarHBondContact CB-O 3.43Å; W507-G511 PolarHBondContact O-N 2.83Å; N509-G511 PolarHBondContact O-N 2.89Å; G511-N577 CarbonylContact C-O 3.55Å; G511-N577 WeakPolarHBondContact CA-O 3.43Å
512	H	98.6	Very high	95.8	Very high	3 Å²	3	10.5 Å²	10.5	1%	0.014	6%	0.056	C	C	.	.			trans	-68.6	132.2	157.1	-177.7	66.4	0	0	0	109.4	W475 D476 W507 F514	W475-H512 PolarHBondContact O-ND1 2.96Å; D476-H512 IonicContact OD1-CE1 3.43Å; D476-H512 PolarHBondContact OD1-CE1 2.86Å; D476-H512 IonicContact OD1-ND1 2.74Å; W507-H512 HydrophobicContact CE3-CB 3.8Å; W507-H512 AromaticContact CE3-CD2 3.69Å; W507-H512 AromaticContact CE3-CG 3.54Å; W507-H512 AromaticContact CE3-ND1 3.98Å; W507-H512 HydrophobicContact CZ3-CB 4.48Å; W507-H512 AromaticContact CZ3-CD2 3.86Å; W507-H512 AromaticContact CZ3-CE1 3.85Å; W507-H512 AromaticContact CZ3-CG 3.79Å; W507-H512 AromaticContact CZ3-ND1 3.78Å; W507-H512 AromaticContact CZ3-NE2 3.89Å; W507-H512 VanDerWaalsContact O-CB 3.31Å; W507-H512 WeakPolarHBondContact O-CB 3.42Å; W507-H512 PolarHBondContact O-N 3.36Å; H512-F514 HydrophobicContact CB-CD2 4.11Å; H512-F514 HydrophobicContact CB-CE2 3.87Å; H512-F514 AromaticContact CD2-CD2 3.73Å; H512-F514 AromaticContact CD2-CE1 3.95Å; H512-F514 AromaticContact CD2-CE2 3.66Å; H512-F514 AromaticContact CD2-CG 3.91Å; H512-F514 AromaticContact CD2-CZ 3.77Å; H512-F514 WeakPolarHBondContact O-CD2 3.44Å; H512-F514 PolarHBondContact O-N 3.1Å
513	K	97.7	Very high	95.2	Very high	28 Å²	28	17.5 Å²	17.5	12%	0.122	9%	0.093	C	C	.	.			trans	-72.6	63.5	-175.4	-70.7	178.1	143.9	-127	0	113.1	W475 A515 D516 R517 N577	W475-K513 HydrophobicContact CD2-CD 4.35Å; W475-K513 HydrophobicContact CD2-CG 4.43Å; W475-K513 HydrophobicContact CZ2-CD 3.92Å; K513-A515 VanDerWaalsContact C-N 3.33Å; K513-A515 PolarHBondContact O-N 2.92Å; K513-D516 HydrophobicContact CB-CB 4.1Å; K513-D516 VanDerWaalsContact CD-OD2 3.27Å; K513-D516 WeakPolarHBondContact CD-OD2 3.28Å; K513-D516 VanDerWaalsContact CE-OD2 3.28Å; K513-D516 WeakPolarHBondContact CE-OD2 3.27Å; K513-D516 IonicContact NZ-OD2 3.86Å; K513-D516 PolarHBondContact NZ-OD2 2.92Å; K513-D516 PolarHBondContact O-N 3.43Å; K513-R517 HydrophobicContact CB-CG 4.15Å; K513-R517 WeakPolarHBondContact O-CB 3.29Å; K513-R517 WeakPolarHBondContact O-CG 3.31Å; K513-R517 PolarHBondContact O-N 3.46Å; K513-N577 WeakPolarHBondContact CA-OD1 3.4Å; K513-N577 HydrophobicContact CB-CB 4.3Å; K513-N577 WeakPolarHBondContact CB-OD1 3.46Å; K513-N577 HydrophobicContact CG-CB 4.2Å; K513-N577 PolarHBondContact O-OD1 2.93Å
514	F	97.9	Very high	94.7	Very high	11 Å²	11	17.6 Å²	17.6	5%	0.048	9%	0.094	C	C	.	.	H	α-helix	trans	-57.3	-41.4	-174	-83.8	-82.1	0	0	0	113.4	W507 L508 H512 S518 F534 F574 N577	W507-F514 HydrophobicContact CB-CE2 3.93Å; W507-F514 HydrophobicContact CB-CZ 4.02Å; W507-F514 HydrophobicContact CE3-CZ 4.2Å; L508-F514 HydrophobicContact CD2-CD2 3.73Å; L508-F514 HydrophobicContact CD2-CE2 3.53Å; L508-F514 HydrophobicContact CD2-CZ 4.31Å; L508-F514 HydrophobicContact CG-CE2 4.21Å; H512-F514 HydrophobicContact CB-CD2 4.11Å; H512-F514 HydrophobicContact CB-CE2 3.87Å; H512-F514 AromaticContact CD2-CD2 3.73Å; H512-F514 AromaticContact CD2-CE1 3.95Å; H512-F514 AromaticContact CD2-CE2 3.66Å; H512-F514 AromaticContact CD2-CG 3.91Å; H512-F514 AromaticContact CD2-CZ 3.77Å; H512-F514 WeakPolarHBondContact O-CD2 3.44Å; H512-F514 PolarHBondContact O-N 3.1Å; F514-S518 WeakPolarHBondContact O-CB 3.34Å; F514-S518 PolarHBondContact O-N 3.4Å; F514-S518 VanDerWaalsContact O-N 3.12Å; F514-S518 PolarHBondContact O-OG 3.38Å; F514-F534 HydrophobicContact CE1-CB 3.79Å; F514-F534 AromaticContact CE1-CD1 3.65Å; F514-F534 HydrophobicContact CE1-CD1 3.65Å; F514-F534 HydrophobicContact CE1-CD2 4.11Å; F514-F534 HydrophobicContact CE1-CE1 4.2Å; F514-F534 AromaticContact CE1-CG 3.59Å; F514-F534 HydrophobicContact CE1-CG 3.59Å; F514-F534 HydrophobicContact CZ-CB 4.26Å; F514-F534 HydrophobicContact CZ-CD1 4.19Å; F514-F534 AromaticContact CZ-CD2 3.88Å; F514-F534 HydrophobicContact CZ-CD2 3.88Å; F514-F534 HydrophobicContact CZ-CE1 4.48Å; F514-F534 HydrophobicContact CZ-CE2 4.21Å; F514-F534 AromaticContact CZ-CG 3.86Å; F514-F534 HydrophobicContact CZ-CG 3.86Å; F514-F534 HydrophobicContact CZ-CZ 4.5Å; F514-F574 WeakPolarHBondContact CB-O 3.26Å; F514-F574 HydrophobicContact CD1-CB 4.25Å; F514-F574 AromaticContact CD1-CD1 3.77Å; F514-F574 HydrophobicContact CD1-CD1 3.77Å; F514-F574 HydrophobicContact CD1-CG 4.43Å; F514-F574 HydrophobicContact CD2-CD1 4.37Å; F514-F574 AromaticContact CE1-CD1 3.39Å; F514-F574 HydrophobicContact CE1-CD1 3.39Å; F514-F574 AromaticContact CE1-CE1 3.88Å; F514-F574 HydrophobicContact CE1-CE1 3.88Å; F514-F574 HydrophobicContact CE1-CG 4.35Å; F514-F574 HydrophobicContact CE2-CD1 4.04Å; F514-F574 HydrophobicContact CE2-CE1 4.38Å; F514-F574 HydrophobicContact CG-CD1 4.25Å; F514-F574 AromaticContact CZ-CD1 3.54Å; F514-F574 HydrophobicContact CZ-CD1 3.54Å; F514-F574 AromaticContact CZ-CE1 3.72Å; F514-F574 HydrophobicContact CZ-CE1 3.72Å; F514-N577 PolarHBondContact N-OD1 2.77Å
515	A	95.9	Very high	94.1	Very high	7 Å²	7	21.6 Å²	21.6	6%	0.058	12%	0.116	C	C	.	.	H	α-helix	trans	-63.9	-50.4	177.8	0	0	0	0	0	111.8	K513 S518 G519 N520 S524 C576 N577	K513-A515 VanDerWaalsContact C-N 3.33Å; K513-A515 PolarHBondContact O-N 2.92Å; A515-S518 PolarHBondContact O-N 3.41Å; A515-S518 PolarHBondContact O-OG 3.22Å; A515-G519 WeakPolarHBondContact O-CA 3.3Å; A515-G519 PolarHBondContact O-N 2.77Å; A515-N520 PolarHBondContact O-N 2.91Å; A515-S524 WeakPolarHBondContact O-CB 3.4Å; A515-C576 PolarHBondContact N-O 3.5Å; A515-N577 WeakPolarHBondContact CB-OD1 3.12Å; A515-N577 PolarHBondContact N-OD1 3.13Å; A515-N577 VanDerWaalsContact N-OD1 3.11Å
516	D	95.9	Very high	93.7	Very high	24 Å²	24	24.6 Å²	24.6	13%	0.128	13%	0.131	C	C	.	.	H	α-helix	trans	-65.8	-42	-178.7	-51.7	-15.3	0	0	0	111.6	K513 S518 E529 N577	K513-D516 HydrophobicContact CB-CB 4.1Å; K513-D516 VanDerWaalsContact CD-OD2 3.27Å; K513-D516 WeakPolarHBondContact CD-OD2 3.28Å; K513-D516 VanDerWaalsContact CE-OD2 3.28Å; K513-D516 WeakPolarHBondContact CE-OD2 3.27Å; K513-D516 IonicContact NZ-OD2 3.86Å; K513-D516 PolarHBondContact NZ-OD2 2.92Å; K513-D516 PolarHBondContact O-N 3.43Å; D516-S518 VanDerWaalsContact C-N 3.33Å; D516-S518 PolarHBondContact O-N 2.75Å; D516-E529 HydrophobicContact CB-CB 4.2Å; D516-N577 VanDerWaalsContact CG-ND2 3.3Å; D516-N577 PolarHBondContact N-OD1 3.31Å; D516-N577 VanDerWaalsContact N-OD1 3.14Å; D516-N577 PolarHBondContact OD1-ND2 2.77Å; D516-N577 PolarHBondContact OD1-OD1 3.31Å; D516-N577 PolarHBondContact OD2-ND2 3.14Å
517	R	97.1	Very high	93.2	Very high	13 Å²	13	28.9 Å²	28.9	5%	0.049	16%	0.157	C	C	.	.	H	α-helix	trans	-69.2	-30	-176.6	-67.5	-79.9	170.1	-79.9	0.5	112.6	D476 K513 E529 R530 C531	D476-R517 IonicContact OD1-CZ 3.95Å; D476-R517 IonicContact OD1-NE 3.79Å; D476-R517 PolarHBondContact OD1-NE 2.79Å; D476-R517 IonicContact OD1-NH2 2.81Å; D476-R517 IonicContact OD2-CZ 3.29Å; D476-R517 IonicContact OD2-NE 3.35Å; D476-R517 PolarHBondContact OD2-NE 2.85Å; D476-R517 IonicContact OD2-NH2 3.33Å; D476-R517 PolarHBondContact OD2-NH2 3.47Å; K513-R517 HydrophobicContact CB-CG 4.15Å; K513-R517 WeakPolarHBondContact O-CB 3.29Å; K513-R517 WeakPolarHBondContact O-CG 3.31Å; K513-R517 PolarHBondContact O-N 3.46Å; R517-E529 IonicContact CZ-OE2 3.51Å; R517-E529 PolarHBondContact NH1-O 2.91Å; R517-E529 IonicContact NH1-OE2 3.73Å; R517-E529 PolarHBondContact NH1-OE2 3Å; R517-E529 IonicContact NH2-OE2 2.82Å; R517-E529 PolarHBondContact NH2-OE2 2.91Å; R517-E529 VanDerWaalsContact NH2-OE2 3.14Å; R517-R530 CarbonylContact O-C 3.19Å; R517-R530 WeakPolarHBondContact O-CA 3.1Å; R517-C531 PolarHBondContact O-N 3.43Å
518	S	93.3	Very high	92.9	Very high	15 Å²	15	33.4 Å²	33.4	11%	0.105	18%	0.181	C	C	.	.	H	α-helix	trans	-98.6	-19.5	178.8	63	0	0	0	0	114.4	K95 F514 A515 D516 N520	K95-S518 WeakPolarHBondContact CE-O 3.41Å; K95-S518 PolarHBondContact NZ-O 2.67Å; F514-S518 WeakPolarHBondContact O-CB 3.34Å; F514-S518 PolarHBondContact O-N 3.4Å; F514-S518 VanDerWaalsContact O-N 3.12Å; F514-S518 PolarHBondContact O-OG 3.38Å; A515-S518 PolarHBondContact O-N 3.41Å; A515-S518 PolarHBondContact O-OG 3.22Å; D516-S518 VanDerWaalsContact C-N 3.33Å; D516-S518 PolarHBondContact O-N 2.75Å; S518-N520 WeakPolarHBondContact OG-CB 3.37Å; S518-N520 PolarHBondContact OG-N 2.74Å
519	G	92.4	Very high	92.7	Very high	5 Å²	5	33.5 Å²	33.5	5%	0.052	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	35.4	-172.1	0	0	0	0	0	113	A515 S524	A515-G519 WeakPolarHBondContact O-CA 3.3Å; A515-G519 PolarHBondContact O-N 2.77Å; G519-S524 WeakPolarHBondContact CA-OG 3.48Å
520	N	88.4	Confident	92.5	Very high	13 Å²	13	35.1 Å²	35.1	7%	0.07	19%	0.187	C	C	.	.			trans	-117.3	6	-174.4	-78.6	-13.2	0	0	0	114.4	G77 K95 L130 A515 S518 S524 L567	G77-N520 PolarHBondContact O-ND2 2.75Å; G77-N520 VanDerWaalsContact O-ND2 3.12Å; G77-N520 PolarHBondContact O-OD1 3.14Å; G77-N520 VanDerWaalsContact O-OD1 3.12Å; K95-N520 PolarHBondContact NZ-OD1 2.93Å; L130-N520 WeakPolarHBondContact CD1-O 3.4Å; L130-N520 WeakPolarHBondContact CD2-O 3.49Å; A515-N520 PolarHBondContact O-N 2.91Å; S518-N520 WeakPolarHBondContact OG-CB 3.37Å; S518-N520 PolarHBondContact OG-N 2.74Å; N520-S524 PolarHBondContact N-OG 2.78Å; N520-L567 PolarHBondContact ND2-O 2.62Å; N520-L567 VanDerWaalsContact ND2-O 3.08Å
521	G	87	Confident	92.4	Very high	3 Å²	3	35 Å²	35	3%	0.031	19%	0.188	C	C	.	.	S	Bend	trans	-123.2	165.2	178.8	0	0	0	0	0	113.4	V123 N523 S524	V123-G521 WeakPolarHBondContact CG1-O 3.33Å; G521-N523 PolarHBondContact O-N 2.82Å; G521-S524 PolarHBondContact N-OG 3.31Å; G521-S524 VanDerWaalsContact N-OG 3.08Å; G521-S524 VanDerWaalsContact O-CB 3.28Å; G521-S524 WeakPolarHBondContact O-CB 3.45Å; G521-S524 PolarHBondContact O-N 2.87Å; G521-S524 VanDerWaalsContact O-N 3.12Å; G521-S524 PolarHBondContact O-OG 3.14Å
522	P	86.8	Confident	92.4	Very high	31 Å²	31	36.1 Å²	36.1	20%	0.201	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	139.8	174.8	-25.3	35.5	0	0	0	111.8	P124 L127 S524	P124-P522 HydrophobicContact CG-CG 4.43Å; P124-P522 VanDerWaalsContact O-CA 3.24Å; P124-P522 WeakPolarHBondContact O-CA 3.32Å; L127-P522 HydrophobicContact CD2-CG 4.27Å; L127-P522 HydrophobicContact CG-CG 4.12Å; P522-S524 PolarHBondContact O-N 3.29Å
523	N	86.5	Confident	92.4	Very high	146 Å²	146	36.2 Å²	36.2	78%	0.781	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.2	12.6	-174.6	-37.2	-85.3	0	0	0	115.2	G521 D525	G521-N523 PolarHBondContact O-N 2.82Å; N523-D525 VanDerWaalsContact CA-OD2 3.3Å; N523-D525 WeakPolarHBondContact CA-OD2 3.3Å; N523-D525 PolarHBondContact O-N 3.01Å
524	S	88.9	Confident	92.5	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.021	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	32.1	175.5	69.2	0	0	0	0	113.8	A515 G519 N520 G521 P522 E526 R530	A515-S524 WeakPolarHBondContact O-CB 3.4Å; G519-S524 WeakPolarHBondContact CA-OG 3.48Å; N520-S524 PolarHBondContact N-OG 2.78Å; G521-S524 PolarHBondContact N-OG 3.31Å; G521-S524 VanDerWaalsContact N-OG 3.08Å; G521-S524 VanDerWaalsContact O-CB 3.28Å; G521-S524 WeakPolarHBondContact O-CB 3.45Å; G521-S524 PolarHBondContact O-N 2.87Å; G521-S524 VanDerWaalsContact O-N 3.12Å; G521-S524 PolarHBondContact O-OG 3.14Å; P522-S524 PolarHBondContact O-N 3.29Å; S524-E526 VanDerWaalsContact C-N 3.29Å; S524-E526 PolarHBondContact O-N 3.35Å; S524-R530 PolarHBondContact O-NE 3.09Å; S524-R530 PolarHBondContact O-NH2 3.07Å
525	D	84.6	Confident	92.5	Very high	98 Å²	98	35.1 Å²	35.1	52%	0.524	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-22.8	-179.9	-56.6	-82.7	0	0	0	113.2	V123 N523 V527	V123-D525 WeakPolarHBondContact CB-OD1 3.47Å; V123-D525 WeakPolarHBondContact CG2-OD1 3.38Å; N523-D525 VanDerWaalsContact CA-OD2 3.3Å; N523-D525 WeakPolarHBondContact CA-OD2 3.3Å; N523-D525 PolarHBondContact O-N 3.01Å; D525-V527 PolarHBondContact O-N 2.82Å
526	E	89	Confident	92.6	Very high	97 Å²	97	34.9 Å²	34.9	45%	0.453	19%	0.188	S	C	.	.			trans	-70.1	92.7	178.2	-172.6	168	-174.9	0	0	111.8	S524 N528 E529	S524-E526 VanDerWaalsContact C-N 3.29Å; S524-E526 PolarHBondContact O-N 3.35Å; E526-N528 HydrophobicContact CG-CB 3.82Å; E526-N528 PolarHBondContact O-N 2.73Å; E526-N528 WeakPolarHBondContact OE1-CB 3.26Å; E526-E529 HydrophobicContact CB-CG 4.41Å; E526-E529 HydrophobicContact CG-CB 4.49Å; E526-E529 HydrophobicContact CG-CG 4.15Å; E526-E529 PolarHBondContact O-N 3.06Å
527	V	88	Confident	92.8	Very high	89 Å²	89	33.8 Å²	33.8	54%	0.539	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-24	172	-175.3	0	0	0	0	112	D525 R530	D525-V527 PolarHBondContact O-N 2.82Å; V527-R530 PolarHBondContact O-N 2.94Å
528	N	91.8	Very high	92.8	Very high	95 Å²	95	33.1 Å²	33.1	51%	0.508	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-20.1	177.2	-85.3	-30.9	0	0	0	115.3	H411 R414 E526	H411-N528 PolarHBondContact CE1-O 2.88Å; H411-N528 VanDerWaalsContact CE1-O 3.31Å; R414-N528 PolarHBondContact NH1-O 2.79Å; R414-N528 PolarHBondContact NH2-O 2.88Å; R414-N528 VanDerWaalsContact NH2-O 3.07Å; R414-N528 PolarHBondContact NH2-OD1 3.27Å; R414-N528 VanDerWaalsContact NH2-OD1 3.11Å; E526-N528 HydrophobicContact CG-CB 3.82Å; E526-N528 PolarHBondContact O-N 2.73Å; E526-N528 WeakPolarHBondContact OE1-CB 3.26Å
529	E	92.8	Very high	93.1	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.019	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-16	173.3	-73.2	-69.8	149.7	0	0	112.7	D516 R517 E526 C531 T856 S857	D516-E529 HydrophobicContact CB-CB 4.2Å; R517-E529 IonicContact CZ-OE2 3.51Å; R517-E529 PolarHBondContact NH1-O 2.91Å; R517-E529 IonicContact NH1-OE2 3.73Å; R517-E529 PolarHBondContact NH1-OE2 3Å; R517-E529 IonicContact NH2-OE2 2.82Å; R517-E529 PolarHBondContact NH2-OE2 2.91Å; R517-E529 VanDerWaalsContact NH2-OE2 3.14Å; E526-E529 HydrophobicContact CB-CG 4.41Å; E526-E529 HydrophobicContact CG-CB 4.49Å; E526-E529 HydrophobicContact CG-CG 4.15Å; E526-E529 PolarHBondContact O-N 3.06Å; E529-C531 PolarHBondContact O-N 3.05Å; E529-T856 VanDerWaalsContact OE1-C 3.25Å; E529-T856 WeakPolarHBondContact OE1-CB 3.44Å; E529-T856 PolarHBondContact OE1-OG1 3.31Å; E529-S857 PolarHBondContact OE1-N 2.91Å
530	R	94.3	Very high	93.4	Very high	44 Å²	44	32.2 Å²	32.2	17%	0.166	17%	0.173	C	C	.	.			trans	-65.4	125.8	-179.8	-62.1	-177.7	-172.8	-166.2	-3.1	111.6	V123 R414 R517 S524 V527	V123-R530 VanDerWaalsContact CG2-NH2 3.32Å; R414-R530 WeakPolarHBondContact CD-O 3.32Å; R414-R530 PolarHBondContact NH1-O 2.9Å; R517-R530 CarbonylContact O-C 3.19Å; R517-R530 WeakPolarHBondContact O-CA 3.1Å; S524-R530 PolarHBondContact O-NE 3.09Å; S524-R530 PolarHBondContact O-NH2 3.07Å; V527-R530 PolarHBondContact O-N 2.94Å
531	C	96.7	Very high	93.9	Very high	6 Å²	6	31.6 Å²	31.6	4%	0.041	17%	0.169	C	C	.	.			trans	-163.7	134.4	-176.6	-169.2	0	0	0	0	111.8	I410 R517 E529 V533	I410-C531 VanDerWaalsContact CA-SG 3.6Å; I410-C531 HydrophobicContact CB-CB 3.85Å; I410-C531 HydrophobicContact CG2-CB 4.19Å; I410-C531 PolarHBondContact O-SG 3.29Å; R517-C531 PolarHBondContact O-N 3.43Å; E529-C531 PolarHBondContact O-N 3.05Å; C531-V533 HydrophobicContact CB-CG2 3.88Å; C531-V533 PolarHBondContact O-N 3.34Å; C531-V533 VanDerWaalsContact SG-CG2 3.58Å
532	P	97.1	Very high	94.4	Very high	24 Å²	24	31.6 Å²	31.6	16%	0.156	17%	0.169	C	C	.	.			trans	-78.1	43.4	-175.1	35.5	-40.5	0	0	0	114	I413 F417 W442 F534 L535 Q536	I413-P532 HydrophobicContact CG2-CG 4.33Å; F417-P532 HydrophobicContact CB-CG 3.7Å; F417-P532 HydrophobicContact CD1-CB 4.16Å; F417-P532 HydrophobicContact CD1-CG 3.74Å; F417-P532 HydrophobicContact CD2-CG 4.17Å; F417-P532 HydrophobicContact CE1-CB 4.32Å; F417-P532 HydrophobicContact CE1-CG 4.38Å; F417-P532 HydrophobicContact CG-CB 4.33Å; F417-P532 HydrophobicContact CG-CG 3.61Å; W442-P532 HydrophobicContact CH2-CG 4.36Å; W442-P532 HydrophobicContact CZ3-CG 4.49Å; P532-F534 PolarHBondContact O-N 2.88Å; P532-L535 HydrophobicContact CB-CB 4.14Å; P532-L535 HydrophobicContact CB-CD2 4.35Å; P532-L535 PolarHBondContact O-N 3.45Å; P532-Q536 WeakPolarHBondContact O-CB 3.36Å; P532-Q536 PolarHBondContact O-N 3.06Å
533	V	98.6	Very high	95	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.024	16%	0.159	C	C	.	.	H	α-helix	trans	-60.9	-41.7	-170.9	-178.4	0	0	0	0	112.7	I410 D476 Q480 W507 C531 W537	I410-V533 HydrophobicContact CG2-CG2 4.15Å; D476-V533 HydrophobicContact CB-CG1 4.12Å; Q480-V533 HydrophobicContact CG-CG1 4.1Å; Q480-V533 PolarHBondContact NE2-O 2.81Å; W507-V533 HydrophobicContact CH2-CG1 4.1Å; W507-V533 HydrophobicContact CZ3-CG1 4.1Å; C531-V533 HydrophobicContact CB-CG2 3.88Å; C531-V533 PolarHBondContact O-N 3.34Å; C531-V533 VanDerWaalsContact SG-CG2 3.58Å; V533-W537 PolarHBondContact O-N 3.22Å
534	F	98.8	Very high	95.6	Very high	9 Å²	9	23.2 Å²	23.2	4%	0.039	12%	0.122	C	C	.	.	H	α-helix	trans	-71.4	-39	175.2	-174.4	-118.7	0	0	0	112.5	V503 W507 F514 P532 Q536 W537 L538 L562 F574	V503-F534 HydrophobicContact CG1-CE2 3.99Å; V503-F534 HydrophobicContact CG1-CZ 3.87Å; V503-F534 HydrophobicContact CG2-CE2 4.46Å; V503-F534 HydrophobicContact CG2-CZ 4.45Å; W507-F534 AromaticContact CD2-CD2 3.55Å; W507-F534 HydrophobicContact CD2-CD2 3.55Å; W507-F534 AromaticContact CD2-CE2 3.95Å; W507-F534 HydrophobicContact CD2-CE2 3.95Å; W507-F534 AromaticContact CE2-CD2 3.85Å; W507-F534 HydrophobicContact CE3-CB 4.26Å; W507-F534 AromaticContact CE3-CD2 3.57Å; W507-F534 HydrophobicContact CE3-CD2 3.57Å; W507-F534 HydrophobicContact CE3-CE2 4.38Å; W507-F534 HydrophobicContact CE3-CG 4.35Å; W507-F534 HydrophobicContact CG-CD2 4.07Å; W507-F534 AromaticContact CG-CE2 3.99Å; W507-F534 HydrophobicContact CG-CE2 3.99Å; W507-F534 HydrophobicContact CH2-CB 4.47Å; W507-F534 HydrophobicContact CH2-CD2 4.17Å; W507-F534 HydrophobicContact CZ2-CD2 4.17Å; W507-F534 HydrophobicContact CZ3-CB 3.96Å; W507-F534 AromaticContact CZ3-CD2 3.88Å; W507-F534 HydrophobicContact CZ3-CD2 3.88Å; W507-F534 HydrophobicContact CZ3-CG 4.43Å; F514-F534 HydrophobicContact CE1-CB 3.79Å; F514-F534 AromaticContact CE1-CD1 3.65Å; F514-F534 HydrophobicContact CE1-CD1 3.65Å; F514-F534 HydrophobicContact CE1-CD2 4.11Å; F514-F534 HydrophobicContact CE1-CE1 4.2Å; F514-F534 AromaticContact CE1-CG 3.59Å; F514-F534 HydrophobicContact CE1-CG 3.59Å; F514-F534 HydrophobicContact CZ-CB 4.26Å; F514-F534 HydrophobicContact CZ-CD1 4.19Å; F514-F534 AromaticContact CZ-CD2 3.88Å; F514-F534 HydrophobicContact CZ-CD2 3.88Å; F514-F534 HydrophobicContact CZ-CE1 4.48Å; F514-F534 HydrophobicContact CZ-CE2 4.21Å; F514-F534 AromaticContact CZ-CG 3.86Å; F514-F534 HydrophobicContact CZ-CG 3.86Å; F514-F534 HydrophobicContact CZ-CZ 4.5Å; P532-F534 PolarHBondContact O-N 2.88Å; F534-Q536 VanDerWaalsContact C-N 3.34Å; F534-Q536 PolarHBondContact O-N 3.03Å; F534-W537 AromaticContact CD2-CE3 3.91Å; F534-W537 HydrophobicContact CD2-CE3 3.91Å; F534-W537 HydrophobicContact CD2-CZ3 4.47Å; F534-W537 AromaticContact CE2-CE3 3.55Å; F534-W537 HydrophobicContact CE2-CE3 3.55Å; F534-W537 AromaticContact CE2-CZ3 3.68Å; F534-W537 HydrophobicContact CE2-CZ3 3.68Å; F534-W537 HydrophobicContact CZ-CE3 4.39Å; F534-W537 HydrophobicContact CZ-CZ3 4.28Å; F534-W537 WeakPolarHBondContact O-CB 3.5Å; F534-W537 PolarHBondContact O-N 2.78Å; F534-W537 VanDerWaalsContact O-N 3.11Å; F534-L538 HydrophobicContact CD1-CD1 4.02Å; F534-L538 HydrophobicContact CD1-CG 4.39Å; F534-L538 HydrophobicContact CE1-CD1 3.69Å; F534-L538 HydrophobicContact CE1-CD2 4.42Å; F534-L538 HydrophobicContact CE1-CG 4.14Å; F534-L538 HydrophobicContact CZ-CD1 4.22Å; F534-L538 HydrophobicContact CZ-CD2 4.12Å; F534-L538 HydrophobicContact CZ-CG 4.26Å; F534-L538 PolarHBondContact O-N 3.36Å; F534-L562 HydrophobicContact CE1-CG 4.46Å; F534-L562 HydrophobicContact CZ-CD2 4.4Å; F534-L562 HydrophobicContact CZ-CG 4.5Å; F534-F574 HydrophobicContact CE1-CD1 4.5Å; F534-F574 AromaticContact CE1-CE1 3.83Å; F534-F574 HydrophobicContact CE1-CE1 3.83Å; F534-F574 AromaticContact CE1-CZ 3.99Å; F534-F574 HydrophobicContact CE1-CZ 3.99Å; F534-F574 AromaticContact CZ-CE1 3.83Å; F534-F574 HydrophobicContact CZ-CE1 3.83Å; F534-F574 AromaticContact CZ-CZ 3.99Å; F534-F574 HydrophobicContact CZ-CZ 3.99Å
535	L	98.4	Very high	96	Very high	7 Å²	7	23.5 Å²	23.5	4%	0.037	12%	0.123	C	C	.	.	H	α-helix	trans	-65.4	-37.5	176.8	177.5	60.6	0	0	0	111.9	D96 F417 P532 W537 L538 D539 A563 W628 V631 Y632	D96-L535 HydrophobicContact CB-CD2 4.34Å; F417-L535 HydrophobicContact CE1-CD2 4.44Å; F417-L535 HydrophobicContact CE2-CD2 4.12Å; F417-L535 HydrophobicContact CZ-CD2 3.66Å; P532-L535 HydrophobicContact CB-CB 4.14Å; P532-L535 HydrophobicContact CB-CD2 4.35Å; P532-L535 PolarHBondContact O-N 3.45Å; L535-W537 VanDerWaalsContact C-N 3.27Å; L535-W537 PolarHBondContact O-N 2.93Å; L535-L538 PolarHBondContact O-N 2.99Å; L535-D539 PolarHBondContact O-N 3.23Å; L535-A563 HydrophobicContact CD1-CB 3.94Å; L535-W628 HydrophobicContact CD1-CZ3 4.22Å; L535-V631 HydrophobicContact CD1-CG1 4.28Å; L535-Y632 HydrophobicContact CD1-CE1 4.43Å; L535-Y632 HydrophobicContact CD2-CE1 4.19Å; L535-Y632 HydrophobicContact CG-CE1 4.32Å
536	Q	98.7	Very high	96.6	Very high	3 Å²	3	24.6 Å²	24.6	1%	0.014	12%	0.12	C	C	.	.	H	α-helix	trans	-60.4	-37.6	171.2	-170.3	-179.3	32.5	0	0	112	W442 L446 P532 F534 L540	W442-Q536 HydrophobicContact CH2-CB 3.61Å; W442-Q536 HydrophobicContact CH2-CG 3.72Å; W442-Q536 HydrophobicContact CZ2-CB 3.99Å; W442-Q536 HydrophobicContact CZ2-CG 3.96Å; W442-Q536 HydrophobicContact CZ3-CG 4.32Å; L446-Q536 HydrophobicContact CD2-CG 3.97Å; P532-Q536 WeakPolarHBondContact O-CB 3.36Å; P532-Q536 PolarHBondContact O-N 3.06Å; F534-Q536 VanDerWaalsContact C-N 3.34Å; F534-Q536 PolarHBondContact O-N 3.03Å; Q536-L540 PolarHBondContact O-N 3.15Å; Q536-L540 VanDerWaalsContact O-N 3.07Å
537	W	98.9	Very high	97	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-71.5	-39.4	174.9	-179.5	70.3	0	0	0	112.6	Q480 A483 T484 F499 L502 V503 W507 V533 F534 L535 D539 L540 V541	Q480-W537 HydrophobicContact CG-CB 4.28Å; A483-W537 HydrophobicContact CB-CZ2 3.69Å; T484-W537 VanDerWaalsContact OG1-CD1 3.24Å; T484-W537 PolarHBondContact OG1-NE1 2.91Å; F499-W537 HydrophobicContact CE1-CH2 4.29Å; F499-W537 HydrophobicContact CE1-CZ3 4.4Å; F499-W537 AromaticContact CE2-CH2 3.62Å; F499-W537 HydrophobicContact CE2-CH2 3.62Å; F499-W537 HydrophobicContact CE2-CZ2 4.21Å; F499-W537 HydrophobicContact CE2-CZ3 4.39Å; F499-W537 AromaticContact CZ-CH2 3.42Å; F499-W537 HydrophobicContact CZ-CH2 3.42Å; F499-W537 VanDerWaalsContact CZ-CH2 3.42Å; F499-W537 HydrophobicContact CZ-CZ2 4.35Å; F499-W537 AromaticContact CZ-CZ3 3.74Å; F499-W537 HydrophobicContact CZ-CZ3 3.74Å; L502-W537 HydrophobicContact CD2-CH2 4.13Å; L502-W537 HydrophobicContact CD2-CZ2 3.91Å; V503-W537 HydrophobicContact CG2-CH2 3.77Å; V503-W537 HydrophobicContact CG2-CZ3 3.69Å; W507-W537 AromaticContact CE2-CD2 3.87Å; W507-W537 AromaticContact CE2-CE3 3.97Å; W507-W537 HydrophobicContact CH2-CB 3.83Å; W507-W537 HydrophobicContact CH2-CG 4.23Å; W507-W537 HydrophobicContact CZ2-CB 3.48Å; W507-W537 VanDerWaalsContact CZ2-CB 3.48Å; W507-W537 AromaticContact CZ2-CD1 3.97Å; W507-W537 AromaticContact CZ2-CD2 3.68Å; W507-W537 HydrophobicContact CZ2-CD2 3.68Å; W507-W537 HydrophobicContact CZ2-CE3 4.1Å; W507-W537 AromaticContact CZ2-CG 3.39Å; W507-W537 HydrophobicContact CZ2-CG 3.39Å; W507-W537 AromaticContact NE1-CD2 3.66Å; W507-W537 AromaticContact NE1-CE2 3.84Å; W507-W537 AromaticContact NE1-CE3 3.69Å; W507-W537 AromaticContact NE1-CZ3 3.9Å; V533-W537 PolarHBondContact O-N 3.22Å; F534-W537 AromaticContact CD2-CE3 3.91Å; F534-W537 HydrophobicContact CD2-CE3 3.91Å; F534-W537 HydrophobicContact CD2-CZ3 4.47Å; F534-W537 AromaticContact CE2-CE3 3.55Å; F534-W537 HydrophobicContact CE2-CE3 3.55Å; F534-W537 AromaticContact CE2-CZ3 3.68Å; F534-W537 HydrophobicContact CE2-CZ3 3.68Å; F534-W537 HydrophobicContact CZ-CE3 4.39Å; F534-W537 HydrophobicContact CZ-CZ3 4.28Å; F534-W537 WeakPolarHBondContact O-CB 3.5Å; F534-W537 PolarHBondContact O-N 2.78Å; F534-W537 VanDerWaalsContact O-N 3.11Å; L535-W537 VanDerWaalsContact C-N 3.27Å; L535-W537 PolarHBondContact O-N 2.93Å; W537-D539 VanDerWaalsContact C-N 3.29Å; W537-D539 PolarHBondContact O-N 2.82Å; W537-L540 VanDerWaalsContact O-CB 3.27Å; W537-L540 WeakPolarHBondContact O-CB 3.3Å; W537-L540 PolarHBondContact O-N 3.46Å; W537-L540 VanDerWaalsContact O-N 3.16Å; W537-V541 HydrophobicContact CD2-CG2 4.1Å; W537-V541 HydrophobicContact CE3-CG2 4.44Å; W537-V541 HydrophobicContact CH2-CG2 4.13Å; W537-V541 HydrophobicContact CZ2-CG2 3.73Å; W537-V541 HydrophobicContact CZ3-CG2 4.45Å; W537-V541 WeakPolarHBondContact O-CG2 3.37Å; W537-V541 PolarHBondContact O-N 2.68Å
538	L	98.8	Very high	97.4	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-63.9	-35.3	174.5	-67.2	179.8	0	0	0	112.2	F499 F534 L535 V541 H542 L559 L562 A563 W628	F499-L538 HydrophobicContact CZ-CD2 4.37Å; F534-L538 HydrophobicContact CD1-CD1 4.02Å; F534-L538 HydrophobicContact CD1-CG 4.39Å; F534-L538 HydrophobicContact CE1-CD1 3.69Å; F534-L538 HydrophobicContact CE1-CD2 4.42Å; F534-L538 HydrophobicContact CE1-CG 4.14Å; F534-L538 HydrophobicContact CZ-CD1 4.22Å; F534-L538 HydrophobicContact CZ-CD2 4.12Å; F534-L538 HydrophobicContact CZ-CG 4.26Å; F534-L538 PolarHBondContact O-N 3.36Å; L535-L538 PolarHBondContact O-N 2.99Å; L538-V541 PolarHBondContact O-N 2.56Å; L538-H542 PolarHBondContact O-N 3Å; L538-L559 HydrophobicContact CD2-CD2 4.31Å; L538-L562 HydrophobicContact CD1-CD2 4.47Å; L538-L562 HydrophobicContact CD1-CG 4.17Å; L538-L562 HydrophobicContact CD2-CD2 3.74Å; L538-L562 HydrophobicContact CD2-CG 4.34Å; L538-A563 HydrophobicContact CD1-CB 3.8Å; L538-W628 HydrophobicContact CB-CH2 3.96Å; L538-W628 HydrophobicContact CB-CZ3 3.87Å
539	D	98.8	Very high	97.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63.2	-46.7	170.6	-168.1	-1.1	0	0	0	110.7	W442 L446 L535 W537 V541 H542 Q543 W628 Y632	W442-D539 PolarHBondContact NE1-OD2 3.24Å; L446-D539 WeakPolarHBondContact CD1-OD2 3.24Å; L446-D539 HydrophobicContact CD2-CB 4.18Å; L535-D539 PolarHBondContact O-N 3.23Å; W537-D539 VanDerWaalsContact C-N 3.29Å; W537-D539 PolarHBondContact O-N 2.82Å; D539-V541 VanDerWaalsContact C-N 3.28Å; D539-V541 PolarHBondContact O-N 2.81Å; D539-H542 CarbonylContact O-C 3.29Å; D539-H542 WeakPolarHBondContact O-CA 3.43Å; D539-H542 VanDerWaalsContact O-CB 3.27Å; D539-H542 WeakPolarHBondContact O-CB 3.47Å; D539-H542 PolarHBondContact O-N 2.82Å; D539-H542 IonicContact OD1-CE1 3.33Å; D539-H542 IonicContact OD1-ND1 2.8Å; D539-H542 PolarHBondContact OD1-ND1 2.89Å; D539-Q543 WeakPolarHBondContact O-CG 3.41Å; D539-Q543 PolarHBondContact O-N 3.26Å; D539-Q543 PolarHBondContact OD1-NE2 2.88Å; D539-W628 HydrophobicContact CB-CE3 3.72Å; D539-W628 HydrophobicContact CB-CZ3 4.16Å; D539-Y632 WeakPolarHBondContact CB-OH 3.49Å; D539-Y632 WeakPolarHBondContact OD2-CE2 3.47Å; D539-Y632 PolarHBondContact OD2-OH 3.08Å; D539-Y632 VanDerWaalsContact OD2-OH 3.04Å
540	L	98.6	Very high	97.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-54.7	-41.9	174.1	-161.6	76.3	0	0	0	112.7	L446 L449 L450 T484 Q536 W537 Q543 I544	L446-L540 HydrophobicContact CB-CD1 4.43Å; L446-L540 HydrophobicContact CD2-CB 4.42Å; L446-L540 HydrophobicContact CD2-CD1 4.27Å; L449-L540 HydrophobicContact CD2-CD1 4.4Å; L449-L540 HydrophobicContact CD2-CD2 3.77Å; L449-L540 HydrophobicContact CG-CD1 4.41Å; L449-L540 HydrophobicContact CG-CD2 3.77Å; L450-L540 HydrophobicContact CB-CD1 3.83Å; L450-L540 HydrophobicContact CD1-CD1 4.1Å; L450-L540 HydrophobicContact CD1-CG 4.26Å; L450-L540 HydrophobicContact CD2-CD1 4.44Å; L450-L540 HydrophobicContact CG-CD1 4.35Å; T484-L540 HydrophobicContact CG2-CD2 3.7Å; T484-L540 HydrophobicContact CG2-CG 4.32Å; T484-L540 WeakPolarHBondContact OG1-CD2 3.41Å; Q536-L540 PolarHBondContact O-N 3.15Å; Q536-L540 VanDerWaalsContact O-N 3.07Å; W537-L540 VanDerWaalsContact O-CB 3.27Å; W537-L540 WeakPolarHBondContact O-CB 3.3Å; W537-L540 PolarHBondContact O-N 3.46Å; W537-L540 VanDerWaalsContact O-N 3.16Å; L540-Q543 WeakPolarHBondContact O-CB 3.18Å; L540-Q543 PolarHBondContact O-N 3.35Å; L540-I544 WeakPolarHBondContact O-CG1 3.47Å; L540-I544 PolarHBondContact O-N 3.08Å
541	V	98.8	Very high	97.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.7	-39.9	173.7	175.5	0	0	0	0	111.3	L487 F499 W537 L538 D539 I544 H545 F554 L559	L487-V541 HydrophobicContact CD2-CB 4.4Å; L487-V541 HydrophobicContact CD2-CG1 3.97Å; L487-V541 HydrophobicContact CD2-CG2 3.79Å; F499-V541 HydrophobicContact CE2-CG1 3.86Å; F499-V541 HydrophobicContact CE2-CG2 4.15Å; F499-V541 HydrophobicContact CZ-CG1 4Å; F499-V541 HydrophobicContact CZ-CG2 4.24Å; W537-V541 HydrophobicContact CD2-CG2 4.1Å; W537-V541 HydrophobicContact CE3-CG2 4.44Å; W537-V541 HydrophobicContact CH2-CG2 4.13Å; W537-V541 HydrophobicContact CZ2-CG2 3.73Å; W537-V541 HydrophobicContact CZ3-CG2 4.45Å; W537-V541 WeakPolarHBondContact O-CG2 3.37Å; W537-V541 PolarHBondContact O-N 2.68Å; L538-V541 PolarHBondContact O-N 2.56Å; D539-V541 VanDerWaalsContact C-N 3.28Å; D539-V541 PolarHBondContact O-N 2.81Å; V541-I544 PolarHBondContact O-N 2.74Å; V541-H545 WeakPolarHBondContact O-CB 3.34Å; V541-H545 PolarHBondContact O-N 2.92Å; V541-F554 HydrophobicContact CG1-CE2 4.2Å; V541-F554 HydrophobicContact CG1-CZ 4.11Å; V541-L559 HydrophobicContact CB-CD2 4.42Å; V541-L559 HydrophobicContact CG1-CD1 3.94Å; V541-L559 HydrophobicContact CG1-CD2 3.75Å
542	H	98.5	Very high	98	Very high	4 Å²	4	18.6 Å²	18.6	2%	0.019	9%	0.094	C	C	.	.	H	α-helix	trans	-59.7	-41.8	172	146.9	-104.5	0	0	0	112.1	L538 D539 I544 H545 R546 L559 W628	L538-H542 PolarHBondContact O-N 3Å; D539-H542 CarbonylContact O-C 3.29Å; D539-H542 WeakPolarHBondContact O-CA 3.43Å; D539-H542 VanDerWaalsContact O-CB 3.27Å; D539-H542 WeakPolarHBondContact O-CB 3.47Å; D539-H542 PolarHBondContact O-N 2.82Å; D539-H542 IonicContact OD1-CE1 3.33Å; D539-H542 IonicContact OD1-ND1 2.8Å; D539-H542 PolarHBondContact OD1-ND1 2.89Å; H542-I544 PolarHBondContact O-N 3.22Å; H542-H545 PolarHBondContact O-N 2.82Å; H542-R546 VanDerWaalsContact NE2-CD 3.29Å; H542-R546 WeakPolarHBondContact NE2-CD 3.47Å; H542-R546 WeakPolarHBondContact O-CB 3.49Å; H542-R546 WeakPolarHBondContact O-CG 3.39Å; H542-R546 PolarHBondContact O-N 3.13Å; H542-L559 HydrophobicContact CB-CD1 4.11Å; H542-W628 HydrophobicContact CB-CD2 4.12Å; H542-W628 HydrophobicContact CB-CE3 4.48Å; H542-W628 HydrophobicContact CB-CH2 4.48Å; H542-W628 HydrophobicContact CB-CZ2 4.12Å; H542-W628 AromaticContact CD2-CD1 3.72Å; H542-W628 AromaticContact CD2-NE1 3.77Å; H542-W628 AromaticContact CE1-CD1 3.62Å; H542-W628 AromaticContact CE1-CG 3.63Å; H542-W628 AromaticContact CG-CD1 3.8Å; H542-W628 AromaticContact CG-CD2 3.92Å; H542-W628 AromaticContact CG-CE2 3.89Å; H542-W628 AromaticContact CG-CG 3.86Å; H542-W628 AromaticContact CG-NE1 3.83Å; H542-W628 AromaticContact ND1-CD1 3.74Å; H542-W628 AromaticContact ND1-CD2 3.84Å; H542-W628 AromaticContact ND1-CG 3.47Å; H542-W628 AromaticContact NE2-CD1 3.63Å
543	Q	98.6	Very high	98	Very high	1 Å²	1	19 Å²	19	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-58.3	-46	175	-56.2	-54.3	-37.8	0	0	111.6	D539 L540 Q547 L625 Y626	D539-Q543 WeakPolarHBondContact O-CG 3.41Å; D539-Q543 PolarHBondContact O-N 3.26Å; D539-Q543 PolarHBondContact OD1-NE2 2.88Å; L540-Q543 WeakPolarHBondContact O-CB 3.18Å; L540-Q543 PolarHBondContact O-N 3.35Å; Q543-Q547 WeakPolarHBondContact O-CG 3.48Å; Q543-Q547 PolarHBondContact O-N 2.92Å; Q543-L625 HydrophobicContact CB-CD2 4.19Å; Q543-L625 HydrophobicContact CG-CD2 4.1Å; Q543-Y626 PolarHBondContact NE2-O 2.97Å
544	I	98.4	Very high	98	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-70	-42.3	-179.2	-57.3	168.3	0	0	0	110.6	L450 T484 L540 V541 H542 R546 Q547 Y548 F552 L616 P618	L450-I544 HydrophobicContact CD1-CD1 3.84Å; L450-I544 HydrophobicContact CD1-CG1 4.04Å; T484-I544 HydrophobicContact CG2-CD1 3.39Å; L540-I544 WeakPolarHBondContact O-CG1 3.47Å; L540-I544 PolarHBondContact O-N 3.08Å; V541-I544 PolarHBondContact O-N 2.74Å; H542-I544 PolarHBondContact O-N 3.22Å; I544-R546 VanDerWaalsContact C-N 3.32Å; I544-R546 PolarHBondContact O-N 3.5Å; I544-Q547 PolarHBondContact O-N 3.48Å; I544-Q547 VanDerWaalsContact O-N 3.15Å; I544-Y548 HydrophobicContact CG2-CD2 3.98Å; I544-Y548 WeakPolarHBondContact O-CD2 3.44Å; I544-Y548 PolarHBondContact O-N 3.35Å; I544-F552 HydrophobicContact CB-CZ 4.44Å; I544-F552 HydrophobicContact CG2-CE2 4.13Å; I544-F552 HydrophobicContact CG2-CZ 3.8Å; I544-L616 HydrophobicContact CG2-CD1 3.72Å; I544-P618 HydrophobicContact CD1-CG 4.31Å; I544-P618 HydrophobicContact CG1-CB 4.02Å; I544-P618 HydrophobicContact CG1-CG 3.98Å; I544-P618 HydrophobicContact CG2-CB 4.46Å; I544-P618 HydrophobicContact CG2-CG 4.46Å
545	H	97.8	Very high	97.9	Very high	9 Å²	9	19.2 Å²	19.2	4%	0.042	10%	0.096	C	C	.	.	H	α-helix	trans	-58.1	-45	176	-167.9	-61	0	0	0	111.5	V541 H542 Q547 Y548 P549 F552 F554 I556	V541-H545 WeakPolarHBondContact O-CB 3.34Å; V541-H545 PolarHBondContact O-N 2.92Å; H542-H545 PolarHBondContact O-N 2.82Å; H545-Q547 VanDerWaalsContact C-N 3.29Å; H545-Q547 PolarHBondContact O-N 3.3Å; H545-Y548 CarbonylContact O-C 3.4Å; H545-Y548 PolarHBondContact O-N 2.99Å; H545-Y548 VanDerWaalsContact O-N 3.13Å; H545-P549 WeakPolarHBondContact O-CA 3.36Å; H545-F552 HydrophobicContact CB-CD2 4.13Å; H545-F552 HydrophobicContact CB-CE2 4.23Å; H545-F552 VanDerWaalsContact CD2-CB 3.46Å; H545-F552 WeakPolarHBondContact CD2-CB 3.39Å; H545-F552 AromaticContact CD2-CD2 3.78Å; H545-F552 AromaticContact CD2-CG 3.57Å; H545-F552 AromaticContact CG-CD2 3.96Å; H545-F552 WeakPolarHBondContact NE2-CB 3.35Å; H545-F554 AromaticContact CD2-CE2 3.74Å; H545-F554 PolarHBondContact NE2-O 3.08Å; H545-I556 HydrophobicContact CB-CD1 3.83Å; H545-I556 WeakPolarHBondContact ND1-CD1 3.4Å
546	R	97.1	Very high	97.8	Very high	120 Å²	120	20.9 Å²	20.9	45%	0.453	11%	0.105	S	C	.	.	H	α-helix	trans	-64.4	-27.8	176.4	-78.6	-151.2	62.1	-169.3	-10.8	114.7	H542 I544 Y626	H542-R546 VanDerWaalsContact NE2-CD 3.29Å; H542-R546 WeakPolarHBondContact NE2-CD 3.47Å; H542-R546 WeakPolarHBondContact O-CB 3.49Å; H542-R546 WeakPolarHBondContact O-CG 3.39Å; H542-R546 PolarHBondContact O-N 3.13Å; I544-R546 VanDerWaalsContact C-N 3.32Å; I544-R546 PolarHBondContact O-N 3.5Å; R546-Y626 VanDerWaalsContact NH1-CG 3.29Å
547	Q	97.3	Very high	97.7	Very high	51 Å²	51	23.6 Å²	23.6	24%	0.238	12%	0.124	C	C	.	.	H	α-helix	trans	-82.4	-26.3	173.9	-68	-178.9	22.4	0	0	112.4	Q543 I544 H545 P618 A619 F624	Q543-Q547 WeakPolarHBondContact O-CG 3.48Å; Q543-Q547 PolarHBondContact O-N 2.92Å; I544-Q547 PolarHBondContact O-N 3.48Å; I544-Q547 VanDerWaalsContact O-N 3.15Å; H545-Q547 VanDerWaalsContact C-N 3.29Å; H545-Q547 PolarHBondContact O-N 3.3Å; Q547-P618 VanDerWaalsContact OE1-CA 3.22Å; Q547-A619 PolarHBondContact NE2-O 3.06Å; Q547-F624 PolarHBondContact NE2-O 2.87Å
548	Y	97.2	Very high	97.6	Very high	39 Å²	39	23.7 Å²	23.7	15%	0.153	13%	0.125	C	C	.	.			trans	-129.3	60.7	-175.8	-61.5	-75.1	0	0	0	112.9	I544 H545 C550 S551 F552 E613 L616 W617 P618	I544-Y548 HydrophobicContact CG2-CD2 3.98Å; I544-Y548 WeakPolarHBondContact O-CD2 3.44Å; I544-Y548 PolarHBondContact O-N 3.35Å; H545-Y548 CarbonylContact O-C 3.4Å; H545-Y548 PolarHBondContact O-N 2.99Å; H545-Y548 VanDerWaalsContact O-N 3.13Å; Y548-C550 PolarHBondContact O-N 3.15Å; Y548-S551 PolarHBondContact O-N 3.25Å; Y548-F552 WeakPolarHBondContact O-CD2 3.28Å; Y548-E613 WeakPolarHBondContact CD1-OE1 3.41Å; Y548-E613 WeakPolarHBondContact CD1-OE2 3.33Å; Y548-E613 VanDerWaalsContact CE1-OE1 3.26Å; Y548-E613 WeakPolarHBondContact CE1-OE1 3.49Å; Y548-L616 HydrophobicContact CD1-CD2 3.99Å; Y548-L616 HydrophobicContact CD2-CB 4.17Å; Y548-L616 HydrophobicContact CD2-CD1 3.97Å; Y548-L616 HydrophobicContact CD2-CD2 4.22Å; Y548-L616 HydrophobicContact CD2-CG 4.34Å; Y548-L616 HydrophobicContact CE1-CD2 4.29Å; Y548-L616 HydrophobicContact CE2-CB 3.92Å; Y548-L616 HydrophobicContact CG-CD1 4.23Å; Y548-L616 HydrophobicContact CG-CD2 3.93Å; Y548-W617 WeakPolarHBondContact OH-CA 3.49Å; Y548-W617 PolarHBondContact OH-N 2.79Å; Y548-W617 PolarHBondContact OH-O 3.07Å; Y548-P618 HydrophobicContact CE2-CB 4.07Å
549	P	95.4	Very high	97.6	Very high	60 Å²	60	23.7 Å²	23.7	39%	0.39	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-16.3	-166.1	25.8	-36.5	0	0	0	115.3	H545 N605	H545-P549 WeakPolarHBondContact O-CA 3.36Å; P549-N605 PolarHBondContact O-ND2 3.34Å
550	C	96.9	Very high	97.4	Very high	56 Å²	56	24.7 Å²	24.7	38%	0.378	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-10.1	176.7	-54.9	0	0	0	0	113.5	Y548 L607 Y608 K609 T612	Y548-C550 PolarHBondContact O-N 3.15Å; C550-L607 WeakPolarHBondContact CA-O 3.45Å; C550-L607 WeakPolarHBondContact CB-O 3.43Å; C550-Y608 WeakPolarHBondContact O-CA 3.42Å; C550-K609 PolarHBondContact O-N 2.91Å; C550-T612 HydrophobicContact CB-CG2 4.42Å
551	S	97.6	Very high	97.3	Very high	4 Å²	4	27.9 Å²	27.9	3%	0.028	14%	0.144	C	C	.	.	S	Bend	trans	-94.5	2.8	-168.3	-62	0	0	0	0	113.8	R494 Y548 T612 E613	R494-S551 VanDerWaalsContact CB-O 3.22Å; R494-S551 WeakPolarHBondContact CB-O 3.43Å; R494-S551 WeakPolarHBondContact CD-O 3.38Å; Y548-S551 PolarHBondContact O-N 3.25Å; S551-T612 PolarHBondContact OG-OG1 2.94Å; S551-E613 PolarHBondContact OG-OE2 3.43Å
552	F	97.9	Very high	97.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.144	C	C	.	.			trans	-126.6	133.1	-179.3	-65.7	-87.8	0	0	0	112.5	L487 R494 I544 H545 Y548 F554 N605 Y608 L616	L487-F552 HydrophobicContact CD1-CE1 3.94Å; L487-F552 HydrophobicContact CD2-CE1 3.98Å; L487-F552 HydrophobicContact CD2-CZ 4.4Å; L487-F552 HydrophobicContact CG-CE1 3.93Å; L487-F552 HydrophobicContact CG-CZ 4.45Å; R494-F552 HydrophobicContact CB-CD1 3.59Å; R494-F552 HydrophobicContact CB-CE1 3.94Å; R494-F552 HydrophobicContact CB-CG 4.26Å; R494-F552 HydrophobicContact CG-CD1 3.93Å; R494-F552 HydrophobicContact CG-CE1 3.72Å; R494-F552 HydrophobicContact CG-CZ 4.38Å; R494-F552 WeakPolarHBondContact O-CA 3.48Å; I544-F552 HydrophobicContact CB-CZ 4.44Å; I544-F552 HydrophobicContact CG2-CE2 4.13Å; I544-F552 HydrophobicContact CG2-CZ 3.8Å; H545-F552 HydrophobicContact CB-CD2 4.13Å; H545-F552 HydrophobicContact CB-CE2 4.23Å; H545-F552 VanDerWaalsContact CD2-CB 3.46Å; H545-F552 WeakPolarHBondContact CD2-CB 3.39Å; H545-F552 AromaticContact CD2-CD2 3.78Å; H545-F552 AromaticContact CD2-CG 3.57Å; H545-F552 AromaticContact CG-CD2 3.96Å; H545-F552 WeakPolarHBondContact NE2-CB 3.35Å; Y548-F552 WeakPolarHBondContact O-CD2 3.28Å; F552-F554 HydrophobicContact CB-CZ 4.48Å; F552-F554 AromaticContact CD1-CE1 3.74Å; F552-F554 HydrophobicContact CD1-CE1 3.74Å; F552-F554 HydrophobicContact CD1-CE2 4.07Å; F552-F554 AromaticContact CD1-CZ 3.41Å; F552-F554 HydrophobicContact CD1-CZ 3.41Å; F552-F554 VanDerWaalsContact CD1-CZ 3.41Å; F552-F554 AromaticContact CE1-CZ 3.99Å; F552-F554 HydrophobicContact CE1-CZ 3.99Å; F552-F554 HydrophobicContact CG-CZ 4.27Å; F552-N605 WeakPolarHBondContact O-CB 3.35Å; F552-N605 PolarHBondContact O-ND2 3.3Å; F552-Y608 WeakPolarHBondContact O-CB 3.09Å; F552-Y608 WeakPolarHBondContact O-CD2 3.23Å; F552-L616 HydrophobicContact CE2-CD1 3.98Å; F552-L616 HydrophobicContact CZ-CD1 3.82Å
553	E	98	Very high	97.2	Very high	33 Å²	33	27.7 Å²	27.7	15%	0.154	14%	0.143	C	C	.	.	S	Bend	trans	-78.8	-29.5	179.3	-167.8	-171.9	-159	0	0	112.4	R494 T495 V496 R604 N605 Y608	R494-E553 PolarHBondContact O-N 3.35Å; T495-E553 WeakPolarHBondContact CA-OE2 3.43Å; T495-E553 VanDerWaalsContact CB-OE2 3.29Å; T495-E553 WeakPolarHBondContact CB-OE2 3.3Å; V496-E553 HydrophobicContact CG2-CB 4.29Å; V496-E553 HydrophobicContact CG2-CG 4.06Å; V496-E553 PolarHBondContact N-OE2 2.94Å; E553-R604 CarbonylContact O-C 3.58Å; E553-R604 WeakPolarHBondContact O-CA 3.36Å; E553-R604 IonicContact OE1-CZ 2.64Å; E553-R604 IonicContact OE1-NH1 3.19Å; E553-R604 PolarHBondContact OE1-NH1 3.48Å; E553-R604 IonicContact OE1-NH2 3.25Å; E553-R604 PolarHBondContact OE1-NH2 2.91Å; E553-N605 PolarHBondContact O-N 2.67Å; E553-Y608 VanDerWaalsContact CA-CG 3.47Å; E553-Y608 HydrophobicContact CB-CD1 3.7Å; E553-Y608 HydrophobicContact CB-CD2 4.16Å; E553-Y608 HydrophobicContact CB-CE1 3.79Å; E553-Y608 HydrophobicContact CB-CE2 4.23Å; E553-Y608 HydrophobicContact CB-CG 3.89Å; E553-Y608 HydrophobicContact CG-CD1 3.69Å; E553-Y608 HydrophobicContact CG-CE1 3.93Å; E553-Y608 HydrophobicContact CG-CG 4.25Å; E553-Y608 VanDerWaalsContact N-CD2 3.31Å
554	F	98.1	Very high	97	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-83.3	148.3	173.6	58.3	-98	0	0	0	111.2	V496 F499 V541 H545 F552 Y558 L559 Y603	V496-F554 HydrophobicContact CG2-CB 4.13Å; F499-F554 HydrophobicContact CB-CD1 3.91Å; F499-F554 HydrophobicContact CB-CE1 3.62Å; F499-F554 HydrophobicContact CD1-CE1 4.25Å; F499-F554 HydrophobicContact CD1-CZ 4.47Å; F499-F554 HydrophobicContact CD2-CD1 4.47Å; F499-F554 AromaticContact CD2-CE1 3.47Å; F499-F554 HydrophobicContact CD2-CE1 3.47Å; F499-F554 VanDerWaalsContact CD2-CE1 3.47Å; F499-F554 AromaticContact CD2-CZ 3.6Å; F499-F554 HydrophobicContact CD2-CZ 3.6Å; F499-F554 HydrophobicContact CE2-CE1 4.17Å; F499-F554 AromaticContact CE2-CZ 3.81Å; F499-F554 HydrophobicContact CE2-CZ 3.81Å; F499-F554 HydrophobicContact CG-CD1 4.09Å; F499-F554 AromaticContact CG-CE1 3.5Å; F499-F554 HydrophobicContact CG-CE1 3.5Å; F499-F554 AromaticContact CG-CZ 3.95Å; F499-F554 HydrophobicContact CG-CZ 3.95Å; F499-F554 HydrophobicContact CZ-CZ 4.33Å; V541-F554 HydrophobicContact CG1-CE2 4.2Å; V541-F554 HydrophobicContact CG1-CZ 4.11Å; H545-F554 AromaticContact CD2-CE2 3.74Å; H545-F554 PolarHBondContact NE2-O 3.08Å; F552-F554 HydrophobicContact CB-CZ 4.48Å; F552-F554 AromaticContact CD1-CE1 3.74Å; F552-F554 HydrophobicContact CD1-CE1 3.74Å; F552-F554 HydrophobicContact CD1-CE2 4.07Å; F552-F554 AromaticContact CD1-CZ 3.41Å; F552-F554 HydrophobicContact CD1-CZ 3.41Å; F552-F554 VanDerWaalsContact CD1-CZ 3.41Å; F552-F554 AromaticContact CE1-CZ 3.99Å; F552-F554 HydrophobicContact CE1-CZ 3.99Å; F552-F554 HydrophobicContact CG-CZ 4.27Å; F554-Y558 HydrophobicContact CB-CD1 4.01Å; F554-Y558 HydrophobicContact CB-CD2 3.76Å; F554-Y558 HydrophobicContact CB-CE2 4.28Å; F554-Y558 HydrophobicContact CB-CG 3.62Å; F554-Y558 HydrophobicContact CD2-CD1 4.18Å; F554-Y558 HydrophobicContact CD2-CG 4.45Å; F554-Y558 HydrophobicContact CG-CD1 4.16Å; F554-Y558 HydrophobicContact CG-CG 4.26Å; F554-L559 HydrophobicContact CD2-CD2 4.21Å; F554-L559 HydrophobicContact CD2-CG 4.16Å; F554-L559 HydrophobicContact CE2-CD1 4.11Å; F554-L559 HydrophobicContact CE2-CD2 3.71Å; F554-L559 HydrophobicContact CE2-CG 3.91Å; F554-L559 HydrophobicContact CZ-CD2 4.47Å; F554-Y603 WeakPolarHBondContact CA-O 3.4Å
555	S	97.1	Very high	96.9	Very high	16 Å²	16	30.6 Å²	30.6	11%	0.112	16%	0.156	C	C	.	.			trans	-86.8	169.9	177.5	71.3	0	0	0	0	112.4	S557 Y558 Y603	S555-S557 PolarHBondContact O-N 3.19Å; S555-S557 WeakPolarHBondContact OG-CB 3.18Å; S555-S557 PolarHBondContact OG-N 3.11Å; S555-Y558 WeakPolarHBondContact O-CB 3.23Å; S555-Y558 PolarHBondContact O-N 2.92Å; S555-Y558 VanDerWaalsContact O-N 3.09Å; S555-Y558 PolarHBondContact OG-N 2.57Å; S555-Y603 PolarHBondContact N-O 2.82Å; S555-Y603 PolarHBondContact OG-O 3.46Å
556	I	95.8	Very high	96.9	Very high	42 Å²	42	30.8 Å²	30.8	22%	0.215	16%	0.159	C	C	.	.	H	α-helix	trans	-59.7	-31.7	170.4	-62.6	-60	0	0	0	111.3	H545 Y558 L559 I560	H545-I556 HydrophobicContact CB-CD1 3.83Å; H545-I556 WeakPolarHBondContact ND1-CD1 3.4Å; I556-Y558 VanDerWaalsContact C-N 3.26Å; I556-Y558 PolarHBondContact O-N 3.25Å; I556-L559 HydrophobicContact CD1-CD1 4.18Å; I556-L559 WeakPolarHBondContact O-CB 3.37Å; I556-L559 PolarHBondContact O-N 2.98Å; I556-L559 VanDerWaalsContact O-N 3.08Å; I556-I560 HydrophobicContact CG2-CD1 3.89Å; I556-I560 HydrophobicContact CG2-CG1 4.28Å; I556-I560 WeakPolarHBondContact O-CG1 3.5Å; I556-I560 PolarHBondContact O-N 3.2Å
557	S	95.8	Very high	96.8	Very high	61 Å²	61	25.9 Å²	25.9	43%	0.427	14%	0.141	S	C	.	.	H	α-helix	trans	-62.9	-30.3	175.5	-48.1	0	0	0	0	113.2	S555 K561	S555-S557 PolarHBondContact O-N 3.19Å; S555-S557 WeakPolarHBondContact OG-CB 3.18Å; S555-S557 PolarHBondContact OG-N 3.11Å; S557-K561 WeakPolarHBondContact O-CB 3.35Å; S557-K561 WeakPolarHBondContact O-CG 3.24Å; S557-K561 PolarHBondContact O-N 2.8Å
558	Y	97.9	Very high	96.7	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.008	13%	0.131	C	C	.	.	H	α-helix	trans	-60.7	-48.6	170.1	-177.5	-76.9	0	0	0	110.7	V496 F499 F554 S555 I556 K561 L562 L598	V496-Y558 HydrophobicContact CG1-CE2 4.14Å; F499-Y558 AromaticContact CD1-CE1 3.63Å; F499-Y558 HydrophobicContact CD1-CE1 3.63Å; F499-Y558 AromaticContact CE1-CE1 3.99Å; F499-Y558 HydrophobicContact CE1-CE1 3.99Å; F554-Y558 HydrophobicContact CB-CD1 4.01Å; F554-Y558 HydrophobicContact CB-CD2 3.76Å; F554-Y558 HydrophobicContact CB-CE2 4.28Å; F554-Y558 HydrophobicContact CB-CG 3.62Å; F554-Y558 HydrophobicContact CD2-CD1 4.18Å; F554-Y558 HydrophobicContact CD2-CG 4.45Å; F554-Y558 HydrophobicContact CG-CD1 4.16Å; F554-Y558 HydrophobicContact CG-CG 4.26Å; S555-Y558 WeakPolarHBondContact O-CB 3.23Å; S555-Y558 PolarHBondContact O-N 2.92Å; S555-Y558 VanDerWaalsContact O-N 3.09Å; S555-Y558 PolarHBondContact OG-N 2.57Å; I556-Y558 VanDerWaalsContact C-N 3.26Å; I556-Y558 PolarHBondContact O-N 3.25Å; Y558-K561 PolarHBondContact O-N 3.17Å; Y558-L562 HydrophobicContact CE1-CD2 4.08Å; Y558-L562 VanDerWaalsContact O-CB 3.32Å; Y558-L562 WeakPolarHBondContact O-CB 3.25Å; Y558-L562 PolarHBondContact O-N 3.14Å; Y558-L598 HydrophobicContact CD2-CB 3.94Å; Y558-L598 VanDerWaalsContact CD2-O 3.3Å; Y558-L598 WeakPolarHBondContact CD2-O 3.46Å; Y558-L598 HydrophobicContact CE1-CD1 4.42Å; Y558-L598 HydrophobicContact CE2-CB 3.54Å; Y558-L598 HydrophobicContact CE2-CD1 4.47Å; Y558-L598 HydrophobicContact CE2-CG 4.47Å; Y558-L598 WeakPolarHBondContact CE2-O 3.48Å
559	L	97.6	Very high	96.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-64.6	-42.6	-179.3	-64	175.7	0	0	0	112	F499 L538 V541 H542 F554 I556 K561 L562 A563 W628	F499-L559 HydrophobicContact CE1-CD2 4.14Å; F499-L559 HydrophobicContact CZ-CD2 3.99Å; L538-L559 HydrophobicContact CD2-CD2 4.31Å; V541-L559 HydrophobicContact CB-CD2 4.42Å; V541-L559 HydrophobicContact CG1-CD1 3.94Å; V541-L559 HydrophobicContact CG1-CD2 3.75Å; H542-L559 HydrophobicContact CB-CD1 4.11Å; F554-L559 HydrophobicContact CD2-CD2 4.21Å; F554-L559 HydrophobicContact CD2-CG 4.16Å; F554-L559 HydrophobicContact CE2-CD1 4.11Å; F554-L559 HydrophobicContact CE2-CD2 3.71Å; F554-L559 HydrophobicContact CE2-CG 3.91Å; F554-L559 HydrophobicContact CZ-CD2 4.47Å; I556-L559 HydrophobicContact CD1-CD1 4.18Å; I556-L559 WeakPolarHBondContact O-CB 3.37Å; I556-L559 PolarHBondContact O-N 2.98Å; I556-L559 VanDerWaalsContact O-N 3.08Å; L559-K561 PolarHBondContact O-N 3.25Å; L559-L562 PolarHBondContact O-N 2.74Å; L559-A563 WeakPolarHBondContact O-CB 3.49Å; L559-A563 PolarHBondContact O-N 3.32Å; L559-W628 HydrophobicContact CB-CH2 4.06Å; L559-W628 HydrophobicContact CB-CZ2 3.88Å
560	I	96	Very high	96.7	Very high	20 Å²	20	20.1 Å²	20.1	10%	0.103	11%	0.112	C	C	.	.	H	α-helix	trans	-60.5	-45.4	175.6	-65	165.6	0	0	0	110.4	I556 A563 Q564 W628 D630 V631	I556-I560 HydrophobicContact CG2-CD1 3.89Å; I556-I560 HydrophobicContact CG2-CG1 4.28Å; I556-I560 WeakPolarHBondContact O-CG1 3.5Å; I556-I560 PolarHBondContact O-N 3.2Å; I560-A563 PolarHBondContact O-N 2.88Å; I560-Q564 WeakPolarHBondContact O-CG 3.12Å; I560-Q564 PolarHBondContact O-N 2.76Å; I560-W628 HydrophobicContact CG1-CZ2 3.99Å; I560-D630 HydrophobicContact CD1-CB 3.63Å; I560-D630 HydrophobicContact CG1-CB 4.36Å; I560-V631 HydrophobicContact CB-CG2 4.47Å; I560-V631 HydrophobicContact CG1-CG2 3.98Å; I560-V631 HydrophobicContact CG2-CG2 4.38Å
561	K	96.1	Very high	96.7	Very high	68 Å²	68	17.9 Å²	17.9	30%	0.296	10%	0.096	S	C	.	.	H	α-helix	trans	-70.5	-34	178.8	-72.3	-71.5	161.3	-158.1	0	112.7	S557 Y558 L559 H565 F597 L598 Y603	S557-K561 WeakPolarHBondContact O-CB 3.35Å; S557-K561 WeakPolarHBondContact O-CG 3.24Å; S557-K561 PolarHBondContact O-N 2.8Å; Y558-K561 PolarHBondContact O-N 3.17Å; L559-K561 PolarHBondContact O-N 3.25Å; K561-H565 VanDerWaalsContact O-CB 3.32Å; K561-H565 WeakPolarHBondContact O-CB 3.47Å; K561-H565 PolarHBondContact O-CD2 3.03Å; K561-H565 PolarHBondContact O-N 3.18Å; K561-F597 HydrophobicContact CB-CE1 4.46Å; K561-L598 HydrophobicContact CB-CD2 3.68Å; K561-Y603 HydrophobicContact CB-CE1 4.44Å; K561-Y603 HydrophobicContact CG-CE1 3.79Å
562	L	97.9	Very high	96.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.3	-43.4	173	-177.2	60	0	0	0	111.8	F499 F534 L538 Y558 L559 H565 S566 F574 W595 L598	F499-L562 HydrophobicContact CD1-CD2 4.45Å; F499-L562 HydrophobicContact CE1-CD2 3.68Å; F534-L562 HydrophobicContact CE1-CG 4.46Å; F534-L562 HydrophobicContact CZ-CD2 4.4Å; F534-L562 HydrophobicContact CZ-CG 4.5Å; L538-L562 HydrophobicContact CD1-CD2 4.47Å; L538-L562 HydrophobicContact CD1-CG 4.17Å; L538-L562 HydrophobicContact CD2-CD2 3.74Å; L538-L562 HydrophobicContact CD2-CG 4.34Å; Y558-L562 HydrophobicContact CE1-CD2 4.08Å; Y558-L562 VanDerWaalsContact O-CB 3.32Å; Y558-L562 WeakPolarHBondContact O-CB 3.25Å; Y558-L562 PolarHBondContact O-N 3.14Å; L559-L562 PolarHBondContact O-N 2.74Å; L562-H565 PolarHBondContact O-N 3.18Å; L562-S566 WeakPolarHBondContact O-CB 3.39Å; L562-S566 PolarHBondContact O-N 2.7Å; L562-S566 PolarHBondContact O-OG 2.92Å; L562-F574 HydrophobicContact CD1-CE2 3.64Å; L562-F574 HydrophobicContact CD1-CZ 3.69Å; L562-W595 HydrophobicContact CD1-CH2 3.98Å; L562-W595 HydrophobicContact CD1-CZ3 3.8Å; L562-L598 HydrophobicContact CB-CD1 4.04Å; L562-L598 HydrophobicContact CD1-CD1 3.75Å; L562-L598 HydrophobicContact CG-CD1 4.44Å
563	A	96.8	Very high	96.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-58.2	-53.9	174.3	0	0	0	0	0	111	L535 L538 L559 I560 H565 S566 W628	L535-A563 HydrophobicContact CD1-CB 3.94Å; L538-A563 HydrophobicContact CD1-CB 3.8Å; L559-A563 WeakPolarHBondContact O-CB 3.49Å; L559-A563 PolarHBondContact O-N 3.32Å; I560-A563 PolarHBondContact O-N 2.88Å; A563-H565 PolarHBondContact O-N 2.82Å; A563-S566 PolarHBondContact O-N 2.77Å; A563-S566 PolarHBondContact O-OG 2.85Å; A563-W628 HydrophobicContact CB-CH2 4.4Å
564	Q	95.1	Very high	96.5	Very high	40 Å²	40	17 Å²	17	19%	0.187	9%	0.093	C	C	.	.	H	α-helix	trans	-56.9	-47	176.9	-72.7	176.2	-12.7	0	0	112	I560 S566 L567 S568	I560-Q564 WeakPolarHBondContact O-CG 3.12Å; I560-Q564 PolarHBondContact O-N 2.76Å; Q564-S566 PolarHBondContact O-N 3.33Å; Q564-L567 PolarHBondContact O-N 3.24Å; Q564-S568 WeakPolarHBondContact O-CB 3.27Å; Q564-S568 PolarHBondContact O-N 2.95Å
565	H	96.3	Very high	96.3	Very high	21 Å²	21	17.4 Å²	17.4	10%	0.097	10%	0.095	C	C	.	.	H	α-helix	trans	-75.9	-23.7	-175.1	-74.4	-57.9	0	0	0	114.7	K561 L562 A563 L567 S568 F571 V594 F597	K561-H565 VanDerWaalsContact O-CB 3.32Å; K561-H565 WeakPolarHBondContact O-CB 3.47Å; K561-H565 PolarHBondContact O-CD2 3.03Å; K561-H565 PolarHBondContact O-N 3.18Å; L562-H565 PolarHBondContact O-N 3.18Å; A563-H565 PolarHBondContact O-N 2.82Å; H565-L567 PolarHBondContact O-N 3.04Å; H565-S568 WeakPolarHBondContact CA-OG 3.09Å; H565-S568 PolarHBondContact ND1-OG 2.86Å; H565-S568 VanDerWaalsContact ND1-OG 3.16Å; H565-S568 PolarHBondContact O-N 2.65Å; H565-S568 PolarHBondContact O-OG 2.74Å; H565-F571 HydrophobicContact CB-CD2 4.14Å; H565-F571 HydrophobicContact CB-CE2 4.4Å; H565-F571 AromaticContact CE1-CE2 3.96Å; H565-F571 AromaticContact CG-CE2 3.83Å; H565-F571 AromaticContact ND1-CD2 3.89Å; H565-F571 AromaticContact ND1-CE2 3.66Å; H565-V594 HydrophobicContact CB-CG2 3.8Å; H565-F597 AromaticContact CD2-CE1 3.63Å; H565-F597 AromaticContact NE2-CE1 3.58Å; H565-F597 AromaticContact NE2-CZ 3.96Å
566	S	96.9	Very high	96.3	Very high	13 Å²	13	17 Å²	17	9%	0.091	9%	0.092	C	C	.	.	H	α-helix	trans	-63	-19.1	170.5	73.6	0	0	0	0	114.2	L562 A563 Q564	L562-S566 WeakPolarHBondContact O-CB 3.39Å; L562-S566 PolarHBondContact O-N 2.7Å; L562-S566 PolarHBondContact O-OG 2.92Å; A563-S566 PolarHBondContact O-N 2.77Å; A563-S566 PolarHBondContact O-OG 2.85Å; Q564-S566 PolarHBondContact O-N 3.33Å
567	L	94.6	Very high	96.4	Very high	17 Å²	17	16.3 Å²	16.3	9%	0.089	9%	0.089	C	C	.	.	H	α-helix	trans	-114.3	-16.1	178.3	-64.2	167.8	0	0	0	113	G77 L78 K95 N520 Q564 H565 C569	G77-L567 CarbonylContact C-O 3.53Å; G77-L567 WeakPolarHBondContact CA-O 3.15Å; G77-L567 VanDerWaalsContact O-O 3.1Å; L78-L567 HydrophobicContact CD1-CB 3.61Å; L78-L567 HydrophobicContact CD1-CD1 3.69Å; L78-L567 HydrophobicContact CD1-CG 4.3Å; K95-L567 HydrophobicContact CB-CD1 3.91Å; K95-L567 HydrophobicContact CB-CD2 4.47Å; K95-L567 HydrophobicContact CD-CD2 4.4Å; N520-L567 PolarHBondContact ND2-O 2.62Å; N520-L567 VanDerWaalsContact ND2-O 3.08Å; Q564-L567 PolarHBondContact O-N 3.24Å; H565-L567 PolarHBondContact O-N 3.04Å; L567-C569 VanDerWaalsContact C-N 3.33Å; L567-C569 PolarHBondContact O-N 2.88Å
568	S	95	Very high	96.4	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.014	7%	0.069	C	C	.	.	H	α-helix	trans	-66.1	-24.6	-174	68.4	0	0	0	0	116.3	Y59 Q564 H565 L570	Y59-S568 WeakPolarHBondContact CE2-O 3.3Å; Q564-S568 WeakPolarHBondContact O-CB 3.27Å; Q564-S568 PolarHBondContact O-N 2.95Å; H565-S568 WeakPolarHBondContact CA-OG 3.09Å; H565-S568 PolarHBondContact ND1-OG 2.86Å; H565-S568 VanDerWaalsContact ND1-OG 3.16Å; H565-S568 PolarHBondContact O-N 2.65Å; H565-S568 PolarHBondContact O-OG 2.74Å; S568-L570 PolarHBondContact O-N 2.69Å; S568-L570 PolarHBondContact OG-N 2.73Å
569	C	96.1	Very high	96.3	Very high	12 Å²	12	13.7 Å²	13.7	8%	0.081	7%	0.071	C	C	.	.			trans	54.5	24.2	-167.9	-60.6	0	0	0	0	115.5	L130 A132 L567	L130-C569 HydrophobicContact CD2-CB 4.18Å; A132-C569 WeakPolarHBondContact CB-O 3.31Å; A132-C569 PolarHBondContact N-O 3.33Å; L567-C569 VanDerWaalsContact C-N 3.33Å; L567-C569 PolarHBondContact O-N 2.88Å
570	L	96.5	Very high	96.3	Very high	15 Å²	15	17.6 Å²	17.6	8%	0.079	9%	0.085	C	C	.	.	S	Bend	trans	-80.2	-29.1	171.7	-177.7	62.3	0	0	0	113.1	L38 Y59 F131 F135 S568	L38-L570 HydrophobicContact CD1-CD1 3.96Å; Y59-L570 HydrophobicContact CE2-CB 3.96Å; Y59-L570 HydrophobicContact CE2-CD1 4.25Å; F131-L570 HydrophobicContact CD1-CD1 3.72Å; F131-L570 HydrophobicContact CE1-CD1 3.67Å; F135-L570 HydrophobicContact CB-CD1 4.42Å; F135-L570 HydrophobicContact CD1-CD1 3.57Å; F135-L570 HydrophobicContact CD1-CG 4.24Å; F135-L570 HydrophobicContact CD2-CD1 4.25Å; F135-L570 HydrophobicContact CE1-CD1 3.8Å; F135-L570 HydrophobicContact CE1-CG 4.2Å; F135-L570 HydrophobicContact CE2-CD1 4.47Å; F135-L570 HydrophobicContact CG-CD1 3.83Å; F135-L570 HydrophobicContact CZ-CD1 4.26Å; S568-L570 PolarHBondContact O-N 2.69Å; S568-L570 PolarHBondContact OG-N 2.73Å
571	F	96.8	Very high	96.3	Very high	9 Å²	9	19.3 Å²	19.3	4%	0.039	9%	0.093	C	C	.	.	S	Bend	trans	-122.4	147.7	-176.6	-61	-79.4	0	0	0	110.5	L203 H565 T573 F592 S593 V594 F597	L203-F571 HydrophobicContact CD2-CE1 4.13Å; H565-F571 HydrophobicContact CB-CD2 4.14Å; H565-F571 HydrophobicContact CB-CE2 4.4Å; H565-F571 AromaticContact CE1-CE2 3.96Å; H565-F571 AromaticContact CG-CE2 3.83Å; H565-F571 AromaticContact ND1-CD2 3.89Å; H565-F571 AromaticContact ND1-CE2 3.66Å; F571-T573 VanDerWaalsContact C-N 3.28Å; F571-T573 PolarHBondContact O-N 3.36Å; F571-F592 WeakPolarHBondContact CA-O 3.2Å; F571-F592 WeakPolarHBondContact CB-O 3.38Å; F571-F592 HydrophobicContact CD1-CB 4.11Å; F571-F592 HydrophobicContact CE1-CB 4.49Å; F571-S593 WeakPolarHBondContact CD1-O 3.27Å; F571-V594 HydrophobicContact CB-CB 4.02Å; F571-V594 HydrophobicContact CD1-CB 4.33Å; F571-V594 HydrophobicContact CD2-CB 3.87Å; F571-V594 HydrophobicContact CD2-CG2 3.64Å; F571-V594 HydrophobicContact CE2-CB 4.37Å; F571-V594 HydrophobicContact CE2-CG2 3.83Å; F571-V594 HydrophobicContact CG-CB 3.83Å; F571-V594 HydrophobicContact CG-CG2 4.15Å; F571-V594 HydrophobicContact CZ-CG2 4.47Å; F571-F597 HydrophobicContact CE2-CD1 4.37Å; F571-F597 HydrophobicContact CZ-CB 4.16Å; F571-F597 HydrophobicContact CZ-CD1 4.24Å; F571-F597 HydrophobicContact CZ-CG 4.21Å
572	G	95.8	Very high	96.2	Very high	3 Å²	3	16.1 Å²	16.1	3%	0.031	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-75.1	-12.5	-179.8	0	0	0	0	0	115.2	F574 L575 T591 F592	G572-F574 VanDerWaalsContact C-N 3.25Å; G572-F574 PolarHBondContact O-N 3.46Å; G572-F574 VanDerWaalsContact O-N 3.15Å; G572-L575 PolarHBondContact O-N 3.06Å; G572-L575 VanDerWaalsContact O-N 3.15Å; G572-T591 WeakPolarHBondContact CA-OG1 3.49Å; G572-F592 PolarHBondContact N-O 3.07Å
573	T	96.6	Very high	96	Very high	7 Å²	7	20.2 Å²	20.2	4%	0.043	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-50.9	-41.5	-173.8	-61.8	0	0	0	0	113.3	L508 F571 S593 V594 W595	L508-T573 HydrophobicContact CD1-CG2 3.6Å; L508-T573 WeakPolarHBondContact CD2-O 3.15Å; F571-T573 VanDerWaalsContact C-N 3.28Å; F571-T573 PolarHBondContact O-N 3.36Å; T573-S593 PolarHBondContact OG1-OG 3.08Å; T573-V594 HydrophobicContact CG2-CG1 3.86Å; T573-V594 PolarHBondContact OG1-N 3.04Å; T573-W595 HydrophobicContact CG2-CZ2 3.67Å
574	F	97.1	Very high	95.9	Very high	9 Å²	9	25.4 Å²	25.4	4%	0.039	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-106.4	23.2	-174.5	-65	-71.3	0	0	0	113.8	V503 L508 F514 F534 L562 G572 V594 W595	V503-F574 HydrophobicContact CG1-CE1 3.91Å; V503-F574 HydrophobicContact CG1-CZ 4Å; L508-F574 HydrophobicContact CD1-CE1 4.13Å; L508-F574 HydrophobicContact CD2-CD1 3.83Å; L508-F574 HydrophobicContact CD2-CE1 4.12Å; L508-F574 HydrophobicContact CG-CE1 4.31Å; F514-F574 WeakPolarHBondContact CB-O 3.26Å; F514-F574 HydrophobicContact CD1-CB 4.25Å; F514-F574 AromaticContact CD1-CD1 3.77Å; F514-F574 HydrophobicContact CD1-CD1 3.77Å; F514-F574 HydrophobicContact CD1-CG 4.43Å; F514-F574 HydrophobicContact CD2-CD1 4.37Å; F514-F574 AromaticContact CE1-CD1 3.39Å; F514-F574 HydrophobicContact CE1-CD1 3.39Å; F514-F574 AromaticContact CE1-CE1 3.88Å; F514-F574 HydrophobicContact CE1-CE1 3.88Å; F514-F574 HydrophobicContact CE1-CG 4.35Å; F514-F574 HydrophobicContact CE2-CD1 4.04Å; F514-F574 HydrophobicContact CE2-CE1 4.38Å; F514-F574 HydrophobicContact CG-CD1 4.25Å; F514-F574 AromaticContact CZ-CD1 3.54Å; F514-F574 HydrophobicContact CZ-CD1 3.54Å; F514-F574 AromaticContact CZ-CE1 3.72Å; F514-F574 HydrophobicContact CZ-CE1 3.72Å; F534-F574 HydrophobicContact CE1-CD1 4.5Å; F534-F574 AromaticContact CE1-CE1 3.83Å; F534-F574 HydrophobicContact CE1-CE1 3.83Å; F534-F574 AromaticContact CE1-CZ 3.99Å; F534-F574 HydrophobicContact CE1-CZ 3.99Å; F534-F574 AromaticContact CZ-CE1 3.83Å; F534-F574 HydrophobicContact CZ-CE1 3.83Å; F534-F574 AromaticContact CZ-CZ 3.99Å; F534-F574 HydrophobicContact CZ-CZ 3.99Å; L562-F574 HydrophobicContact CD1-CE2 3.64Å; L562-F574 HydrophobicContact CD1-CZ 3.69Å; G572-F574 VanDerWaalsContact C-N 3.25Å; G572-F574 PolarHBondContact O-N 3.46Å; G572-F574 VanDerWaalsContact O-N 3.15Å; F574-V594 HydrophobicContact CE2-CG1 4.1Å; F574-W595 AromaticContact CZ-CH2 3.98Å; F574-W595 HydrophobicContact CZ-CH2 3.98Å; F574-W595 HydrophobicContact CZ-CZ2 4.23Å
575	L	95.6	Very high	95.8	Very high	9 Å²	9	26.7 Å²	26.7	5%	0.047	13%	0.132	C	C	.	.			trans	-89.8	158.7	174.7	-57.7	-174	0	0	0	112.2	L130 A132 F133 G572 R582 V587	L130-L575 HydrophobicContact CD1-CD1 4.26Å; L130-L575 HydrophobicContact CD1-CD2 3.83Å; A132-L575 HydrophobicContact CB-CD1 4.47Å; F133-L575 HydrophobicContact CE2-CD1 3.87Å; G572-L575 PolarHBondContact O-N 3.06Å; G572-L575 VanDerWaalsContact O-N 3.15Å; L575-R582 VanDerWaalsContact O-CD 3.28Å; L575-R582 WeakPolarHBondContact O-CD 3.45Å; L575-R582 WeakPolarHBondContact O-CG 3.47Å; L575-R582 PolarHBondContact O-NH1 2.96Å; L575-V587 HydrophobicContact CD1-CG1 4.41Å
576	C	96.3	Very high	95.6	Very high	8 Å²	8	28 Å²	28	5%	0.054	14%	0.143	C	C	.	.	S	Bend	trans	60.8	-178.8	-176.5	-48	0	0	0	0	113.8	A515 E581 R582	A515-C576 PolarHBondContact N-O 3.5Å; C576-E581 HydrophobicContact CB-CB 3.58Å; C576-E581 WeakPolarHBondContact CB-OE2 3.36Å; C576-R582 HydrophobicContact CB-CG 3.91Å
577	N	97.3	Very high	95.5	Very high	26 Å²	26	27.3 Å²	27.3	14%	0.139	14%	0.139	C	C	.	.	S	Bend	trans	-104.3	-11.9	-179.6	-65.6	-48.3	0	0	0	113.8	G511 K513 F514 A515 D516 E581	G511-N577 CarbonylContact C-O 3.55Å; G511-N577 WeakPolarHBondContact CA-O 3.43Å; K513-N577 WeakPolarHBondContact CA-OD1 3.4Å; K513-N577 HydrophobicContact CB-CB 4.3Å; K513-N577 WeakPolarHBondContact CB-OD1 3.46Å; K513-N577 HydrophobicContact CG-CB 4.2Å; K513-N577 PolarHBondContact O-OD1 2.93Å; F514-N577 PolarHBondContact N-OD1 2.77Å; A515-N577 WeakPolarHBondContact CB-OD1 3.12Å; A515-N577 PolarHBondContact N-OD1 3.13Å; A515-N577 VanDerWaalsContact N-OD1 3.11Å; D516-N577 VanDerWaalsContact CG-ND2 3.3Å; D516-N577 PolarHBondContact N-OD1 3.31Å; D516-N577 VanDerWaalsContact N-OD1 3.14Å; D516-N577 PolarHBondContact OD1-ND2 2.77Å; D516-N577 PolarHBondContact OD1-OD1 3.31Å; D516-N577 PolarHBondContact OD2-ND2 3.14Å; N577-E581 WeakPolarHBondContact CB-OE2 3.46Å; N577-E581 PolarHBondContact N-OE2 2.77Å
578	S	96.7	Very high	95.3	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.021	14%	0.141	C	C	.	.	S	Bend	trans	-147.5	163.1	-180	67.9	0	0	0	0	113.4	R580 E581 R582	S578-R580 PolarHBondContact O-N 3.42Å; S578-R580 PolarHBondContact OG-N 2.87Å; S578-E581 VanDerWaalsContact CB-OE1 3.23Å; S578-E581 WeakPolarHBondContact CB-OE1 3.42Å; S578-E581 PolarHBondContact N-OE1 2.94Å; S578-E581 VanDerWaalsContact N-OE1 3.13Å; S578-E581 PolarHBondContact O-N 3.45Å; S578-E581 VanDerWaalsContact OG-CD 3.25Å; S578-E581 WeakPolarHBondContact OG-CG 3.37Å; S578-E581 PolarHBondContact OG-N 3.47Å; S578-E581 VanDerWaalsContact OG-N 3.13Å; S578-E581 PolarHBondContact OG-OE1 3.12Å; S578-R582 PolarHBondContact O-N 3.28Å; S578-R582 PolarHBondContact O-NH1 2.88Å
579	L	96	Very high	95.1	Very high	6 Å²	6	31.3 Å²	31.3	3%	0.031	16%	0.159	C	C	.	.	H	α-helix	trans	-58.7	-39.7	168.2	171.8	62	0	0	0	111.4	Y209 F237 N509 R582 I583 F588	Y209-L579 HydrophobicContact CD2-CD2 4.1Å; Y209-L579 HydrophobicContact CE2-CD2 4.42Å; Y209-L579 HydrophobicContact CG-CD2 4.36Å; F237-L579 HydrophobicContact CE1-CD2 4.28Å; F237-L579 HydrophobicContact CE1-CG 4.37Å; F237-L579 HydrophobicContact CZ-CD2 4.22Å; F237-L579 HydrophobicContact CZ-CG 4.21Å; N509-L579 HydrophobicContact CB-CD2 4.42Å; N509-L579 WeakPolarHBondContact OD1-CD1 3.36Å; N509-L579 WeakPolarHBondContact OD1-CD2 3.17Å; L579-R582 PolarHBondContact O-N 3.41Å; L579-I583 HydrophobicContact CD1-CD1 3.92Å; L579-I583 HydrophobicContact CD1-CG1 4.16Å; L579-I583 HydrophobicContact CG-CD1 3.92Å; L579-I583 WeakPolarHBondContact O-CG1 3.03Å; L579-I583 PolarHBondContact O-N 3.07Å; L579-I583 VanDerWaalsContact O-N 3.08Å; L579-F588 HydrophobicContact CD1-CE2 4.14Å; L579-F588 HydrophobicContact CD1-CZ 3.89Å
580	R	96.3	Very high	94.9	Very high	81 Å²	81	34.4 Å²	34.4	31%	0.306	17%	0.169	S	C	.	.	H	α-helix	trans	-55.1	-54.1	178	-174.9	-162.7	158.3	149.4	2	110.8	F237 S578 R582 I583 E584	F237-R580 HydrophobicContact CB-CB 4.31Å; F237-R580 HydrophobicContact CB-CG 3.89Å; F237-R580 HydrophobicContact CD1-CB 3.79Å; F237-R580 HydrophobicContact CD1-CG 4.23Å; F237-R580 HydrophobicContact CD2-CB 4.16Å; F237-R580 HydrophobicContact CD2-CG 3.85Å; F237-R580 HydrophobicContact CE1-CB 4.06Å; F237-R580 HydrophobicContact CE2-CB 4.43Å; F237-R580 HydrophobicContact CE2-CG 4.42Å; F237-R580 HydrophobicContact CG-CB 3.84Å; F237-R580 HydrophobicContact CG-CG 3.74Å; F237-R580 HydrophobicContact CZ-CB 4.38Å; S578-R580 PolarHBondContact O-N 3.42Å; S578-R580 PolarHBondContact OG-N 2.87Å; R580-R582 VanDerWaalsContact C-N 3.33Å; R580-R582 PolarHBondContact O-N 3.18Å; R580-I583 WeakPolarHBondContact O-CB 3.44Å; R580-I583 PolarHBondContact O-N 2.81Å; R580-I583 VanDerWaalsContact O-N 3.09Å; R580-E584 HydrophobicContact CG-CG 4.41Å; R580-E584 WeakPolarHBondContact CG-OE2 3.35Å; R580-E584 IonicContact CZ-OE1 2.72Å; R580-E584 VanDerWaalsContact CZ-OE1 3.24Å; R580-E584 IonicContact CZ-OE2 2.72Å; R580-E584 IonicContact NE-OE1 3.54Å; R580-E584 PolarHBondContact NE-OE1 2.88Å; R580-E584 IonicContact NE-OE2 2.67Å; R580-E584 PolarHBondContact NE-OE2 2.9Å; R580-E584 IonicContact NH2-OE1 2.76Å; R580-E584 PolarHBondContact NH2-OE1 3.36Å; R580-E584 IonicContact NH2-OE2 2.92Å; R580-E584 WeakPolarHBondContact O-CG 3.38Å; R580-E584 PolarHBondContact O-N 2.85Å
581	E	96	Very high	94.8	Very high	57 Å²	57	33.9 Å²	33.9	27%	0.266	17%	0.166	S	C	.	.	H	α-helix	trans	-60.4	-39.7	179.3	-70.3	151.7	-112.8	0	0	112.7	C576 N577 S578 I583 E584 N585	C576-E581 HydrophobicContact CB-CB 3.58Å; C576-E581 WeakPolarHBondContact CB-OE2 3.36Å; N577-E581 WeakPolarHBondContact CB-OE2 3.46Å; N577-E581 PolarHBondContact N-OE2 2.77Å; S578-E581 VanDerWaalsContact CB-OE1 3.23Å; S578-E581 WeakPolarHBondContact CB-OE1 3.42Å; S578-E581 PolarHBondContact N-OE1 2.94Å; S578-E581 VanDerWaalsContact N-OE1 3.13Å; S578-E581 PolarHBondContact O-N 3.45Å; S578-E581 VanDerWaalsContact OG-CD 3.25Å; S578-E581 WeakPolarHBondContact OG-CG 3.37Å; S578-E581 PolarHBondContact OG-N 3.47Å; S578-E581 VanDerWaalsContact OG-N 3.13Å; S578-E581 PolarHBondContact OG-OE1 3.12Å; E581-I583 VanDerWaalsContact C-N 3.27Å; E581-I583 PolarHBondContact O-N 3.3Å; E581-E584 PolarHBondContact O-N 3.38Å; E581-N585 WeakPolarHBondContact O-CB 3.41Å; E581-N585 PolarHBondContact O-N 3.09Å; E581-N585 PolarHBondContact O-ND2 3.38Å
582	R	95.1	Very high	94.7	Very high	1 Å²	1	33.9 Å²	33.9	0%	0.004	17%	0.167	C	C	.	.	H	α-helix	trans	-65.7	-29.3	176.9	-74.7	-168.4	-66.4	-73.2	-8	113	L508 L575 C576 S578 L579 R580 V587 F588	L508-R582 VanDerWaalsContact C-NH2 3.33Å; L508-R582 PolarHBondContact O-NH2 3.22Å; L575-R582 VanDerWaalsContact O-CD 3.28Å; L575-R582 WeakPolarHBondContact O-CD 3.45Å; L575-R582 WeakPolarHBondContact O-CG 3.47Å; L575-R582 PolarHBondContact O-NH1 2.96Å; C576-R582 HydrophobicContact CB-CG 3.91Å; S578-R582 PolarHBondContact O-N 3.28Å; S578-R582 PolarHBondContact O-NH1 2.88Å; L579-R582 PolarHBondContact O-N 3.41Å; R580-R582 VanDerWaalsContact C-N 3.33Å; R580-R582 PolarHBondContact O-N 3.18Å; R582-V587 HydrophobicContact CB-CB 4.15Å; R582-V587 HydrophobicContact CB-CG2 4.22Å; R582-V587 HydrophobicContact CG-CB 4.27Å; R582-V587 HydrophobicContact CG-CG1 4.49Å; R582-V587 HydrophobicContact CG-CG2 4.17Å; R582-V587 WeakPolarHBondContact O-CB 3.07Å; R582-V587 PolarHBondContact O-N 2.99Å; R582-F588 HydrophobicContact CB-CD2 4.35Å; R582-F588 HydrophobicContact CB-CE2 3.56Å; R582-F588 HydrophobicContact CB-CZ 3.78Å
583	I	93.6	Very high	94.7	Very high	85 Å²	85	34.1 Å²	34.1	44%	0.436	17%	0.168	S	C	.	.	H	α-helix	trans	-74.8	-50.7	172	-64.9	168	0	0	0	110	F237 L579 R580 E581 N585 S586 F588	F237-I583 HydrophobicContact CE2-CD1 4.08Å; F237-I583 HydrophobicContact CZ-CD1 3.87Å; L579-I583 HydrophobicContact CD1-CD1 3.92Å; L579-I583 HydrophobicContact CD1-CG1 4.16Å; L579-I583 HydrophobicContact CG-CD1 3.92Å; L579-I583 WeakPolarHBondContact O-CG1 3.03Å; L579-I583 PolarHBondContact O-N 3.07Å; L579-I583 VanDerWaalsContact O-N 3.08Å; R580-I583 WeakPolarHBondContact O-CB 3.44Å; R580-I583 PolarHBondContact O-N 2.81Å; R580-I583 VanDerWaalsContact O-N 3.09Å; E581-I583 VanDerWaalsContact C-N 3.27Å; E581-I583 PolarHBondContact O-N 3.3Å; I583-N585 VanDerWaalsContact C-N 3.27Å; I583-N585 PolarHBondContact O-N 3.38Å; I583-S586 PolarHBondContact O-N 3.19Å; I583-F588 HydrophobicContact CG1-CE2 4.01Å
584	E	94.5	Very high	94.7	Very high	110 Å²	110	33.8 Å²	33.8	51%	0.514	17%	0.166	S	C	.	.	H	α-helix	trans	-60.8	-32.5	-177.5	-72.7	175.7	140.5	0	0	113	R580 E581	R580-E584 HydrophobicContact CG-CG 4.41Å; R580-E584 WeakPolarHBondContact CG-OE2 3.35Å; R580-E584 IonicContact CZ-OE1 2.72Å; R580-E584 VanDerWaalsContact CZ-OE1 3.24Å; R580-E584 IonicContact CZ-OE2 2.72Å; R580-E584 IonicContact NE-OE1 3.54Å; R580-E584 PolarHBondContact NE-OE1 2.88Å; R580-E584 IonicContact NE-OE2 2.67Å; R580-E584 PolarHBondContact NE-OE2 2.9Å; R580-E584 IonicContact NH2-OE1 2.76Å; R580-E584 PolarHBondContact NH2-OE1 3.36Å; R580-E584 IonicContact NH2-OE2 2.92Å; R580-E584 WeakPolarHBondContact O-CG 3.38Å; R580-E584 PolarHBondContact O-N 2.85Å; E581-E584 PolarHBondContact O-N 3.38Å
585	N	92.9	Very high	94.6	Very high	66 Å²	66	34 Å²	34	35%	0.353	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	7.6	176.4	-65.8	-88.4	0	0	0	113.9	L127 E581 I583 V587 R590	L127-N585 HydrophobicContact CD1-CB 3.53Å; L127-N585 VanDerWaalsContact CD1-CG 3.47Å; E581-N585 WeakPolarHBondContact O-CB 3.41Å; E581-N585 PolarHBondContact O-N 3.09Å; E581-N585 PolarHBondContact O-ND2 3.38Å; I583-N585 VanDerWaalsContact C-N 3.27Å; I583-N585 PolarHBondContact O-N 3.38Å; N585-V587 HydrophobicContact CB-CG2 4.06Å; N585-V587 PolarHBondContact O-N 2.92Å; N585-R590 PolarHBondContact O-NH1 3.11Å
586	S	92.9	Very high	94.5	Very high	48 Å²	48	34.8 Å²	34.8	34%	0.336	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	34.9	-178.6	-56.5	0	0	0	0	114.5	I583 F588 D589 R590	I583-S586 PolarHBondContact O-N 3.19Å; S586-F588 VanDerWaalsContact C-N 3.3Å; S586-F588 PolarHBondContact O-N 3.21Å; S586-D589 PolarHBondContact O-N 3.38Å; S586-R590 WeakPolarHBondContact O-CD 3.43Å; S586-R590 WeakPolarHBondContact O-CG 3.39Å; S586-R590 PolarHBondContact O-N 2.85Å
587	V	93.4	Very high	94.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-57.7	-44.2	-172.7	176.7	0	0	0	0	111	F133 L575 R582 N585 D589 R590 T591	F133-V587 HydrophobicContact CZ-CG2 4.36Å; L575-V587 HydrophobicContact CD1-CG1 4.41Å; R582-V587 HydrophobicContact CB-CB 4.15Å; R582-V587 HydrophobicContact CB-CG2 4.22Å; R582-V587 HydrophobicContact CG-CB 4.27Å; R582-V587 HydrophobicContact CG-CG1 4.49Å; R582-V587 HydrophobicContact CG-CG2 4.17Å; R582-V587 WeakPolarHBondContact O-CB 3.07Å; R582-V587 PolarHBondContact O-N 2.99Å; N585-V587 HydrophobicContact CB-CG2 4.06Å; N585-V587 PolarHBondContact O-N 2.92Å; V587-D589 PolarHBondContact O-N 2.88Å; V587-D589 VanDerWaalsContact O-N 3.16Å; V587-R590 PolarHBondContact O-N 3.48Å; V587-T591 HydrophobicContact CG1-CG2 4.15Å; V587-T591 WeakPolarHBondContact O-CB 3.15Å; V587-T591 PolarHBondContact O-N 3.24Å; V587-T591 PolarHBondContact O-OG1 3Å
588	F	91.3	Very high	94.3	Very high	27 Å²	27	34.6 Å²	34.6	12%	0.118	17%	0.169	C	C	.	.	H	α-helix	trans	-66.8	-13.5	-179.5	-50.6	-81.3	0	0	0	114.8	R205 S206 V207 L579 R582 I583 S586	R205-F588 WeakPolarHBondContact CG-O 3.42Å; R205-F588 PolarHBondContact NE-O 2.81Å; S206-F588 WeakPolarHBondContact O-CD1 3.39Å; V207-F588 HydrophobicContact CG2-CB 3.36Å; V207-F588 HydrophobicContact CG2-CD1 3.79Å; V207-F588 HydrophobicContact CG2-CD2 3.68Å; V207-F588 HydrophobicContact CG2-CE1 4.42Å; V207-F588 HydrophobicContact CG2-CE2 4.34Å; V207-F588 HydrophobicContact CG2-CG 3.36Å; L579-F588 HydrophobicContact CD1-CE2 4.14Å; L579-F588 HydrophobicContact CD1-CZ 3.89Å; R582-F588 HydrophobicContact CB-CD2 4.35Å; R582-F588 HydrophobicContact CB-CE2 3.56Å; R582-F588 HydrophobicContact CB-CZ 3.78Å; I583-F588 HydrophobicContact CG1-CE2 4.01Å; S586-F588 VanDerWaalsContact C-N 3.3Å; S586-F588 PolarHBondContact O-N 3.21Å
589	D	89.6	Confident	94.1	Very high	75 Å²	75	36.5 Å²	36.5	40%	0.401	19%	0.185	S	C	.	.	H	α-helix	trans	-102.2	-9.5	-179.3	-57.8	-36.3	0	0	0	112.8	Y136 R205 S586 V587	Y136-D589 VanDerWaalsContact CE1-O 3.28Å; Y136-D589 WeakPolarHBondContact CE1-O 3.37Å; Y136-D589 VanDerWaalsContact CZ-O 3.25Å; Y136-D589 PolarHBondContact OH-O 3.15Å; R205-D589 IonicContact CZ-OD1 2.72Å; R205-D589 IonicContact NE-OD1 3.79Å; R205-D589 VanDerWaalsContact NH2-CG 3.34Å; R205-D589 IonicContact NH2-OD1 3.46Å; R205-D589 PolarHBondContact NH2-OD1 2.91Å; S586-D589 PolarHBondContact O-N 3.38Å; V587-D589 PolarHBondContact O-N 2.88Å; V587-D589 VanDerWaalsContact O-N 3.16Å
590	R	92.3	Very high	93.9	Very high	77 Å²	77	38 Å²	38	29%	0.291	19%	0.192	S	C	.	.	H	α-helix	trans	-131.7	4.6	-167.6	-59.4	170.1	71.9	-147.9	4.4	113	E128 F133 Y136 N585 S586 V587	E128-R590 VanDerWaalsContact CG-NH2 3.27Å; E128-R590 IonicContact OE1-CZ 2.75Å; E128-R590 IonicContact OE1-NH1 3.71Å; E128-R590 PolarHBondContact OE1-NH1 2.86Å; E128-R590 IonicContact OE1-NH2 3.27Å; E128-R590 PolarHBondContact OE1-NH2 2.79Å; F133-R590 HydrophobicContact CD1-CB 3.73Å; F133-R590 HydrophobicContact CE1-CB 3.68Å; Y136-R590 WeakPolarHBondContact CB-O 3.49Å; Y136-R590 WeakPolarHBondContact CD1-O 3.34Å; Y136-R590 VanDerWaalsContact CG-C 3.47Å; N585-R590 PolarHBondContact O-NH1 3.11Å; S586-R590 WeakPolarHBondContact O-CD 3.43Å; S586-R590 WeakPolarHBondContact O-CG 3.39Å; S586-R590 PolarHBondContact O-N 2.85Å; V587-R590 PolarHBondContact O-N 3.48Å
591	T	94.7	Very high	93.8	Very high	4 Å²	4	40 Å²	40	3%	0.025	21%	0.213	C	C	.	.	S	Bend	trans	-147.2	163	179.1	67.2	0	0	0	0	110.9	A132 F133 G572 V587	A132-T591 HydrophobicContact CB-CG2 3.82Å; F133-T591 HydrophobicContact CD1-CG2 4.05Å; F133-T591 HydrophobicContact CD2-CG2 3.91Å; F133-T591 HydrophobicContact CE1-CG2 3.96Å; F133-T591 HydrophobicContact CE2-CG2 3.8Å; F133-T591 HydrophobicContact CG-CG2 4.04Å; F133-T591 HydrophobicContact CZ-CG2 3.83Å; G572-T591 WeakPolarHBondContact CA-OG1 3.49Å; V587-T591 HydrophobicContact CG1-CG2 4.15Å; V587-T591 WeakPolarHBondContact O-CB 3.15Å; V587-T591 PolarHBondContact O-N 3.24Å; V587-T591 PolarHBondContact O-OG1 3Å
592	F	95.6	Very high	93.7	Very high	10 Å²	10	43 Å²	43	4%	0.044	23%	0.228	C	C	.	.			trans	-90.9	153.7	169.5	-64	-62	0	0	0	112.6	F135 Y136 T139 L203 F571 G572	F135-F592 AromaticContact CD1-CD2 3.91Å; F135-F592 HydrophobicContact CD1-CD2 3.91Å; F135-F592 HydrophobicContact CD1-CE2 4.46Å; F135-F592 AromaticContact CE1-CD2 3.69Å; F135-F592 HydrophobicContact CE1-CD2 3.69Å; F135-F592 HydrophobicContact CE1-CE2 4.27Å; F135-F592 HydrophobicContact CZ-CD2 4.43Å; Y136-F592 AromaticContact CD2-CD1 3.83Å; Y136-F592 HydrophobicContact CD2-CD1 3.83Å; Y136-F592 HydrophobicContact CD2-CD2 4.09Å; Y136-F592 AromaticContact CD2-CE1 3.6Å; Y136-F592 HydrophobicContact CD2-CE1 3.6Å; Y136-F592 AromaticContact CD2-CE2 3.89Å; Y136-F592 HydrophobicContact CD2-CE2 3.89Å; Y136-F592 HydrophobicContact CD2-CG 4.07Å; Y136-F592 AromaticContact CD2-CZ 3.63Å; Y136-F592 HydrophobicContact CD2-CZ 3.63Å; Y136-F592 HydrophobicContact CE2-CD1 4.24Å; Y136-F592 AromaticContact CE2-CE1 3.87Å; Y136-F592 HydrophobicContact CE2-CE1 3.87Å; Y136-F592 HydrophobicContact CE2-CZ 4.22Å; Y136-F592 HydrophobicContact CG-CE2 4.48Å; T139-F592 HydrophobicContact CG2-CE2 3.84Å; T139-F592 HydrophobicContact CG2-CZ 3.73Å; L203-F592 HydrophobicContact CB-CD1 3.74Å; L203-F592 HydrophobicContact CB-CD2 4.14Å; L203-F592 HydrophobicContact CB-CE1 3.74Å; L203-F592 HydrophobicContact CB-CE2 4.13Å; L203-F592 HydrophobicContact CB-CG 3.95Å; L203-F592 HydrophobicContact CB-CZ 3.94Å; L203-F592 HydrophobicContact CD1-CD2 4.29Å; L203-F592 HydrophobicContact CD1-CE2 4.01Å; L203-F592 HydrophobicContact CD1-CZ 4.39Å; L203-F592 HydrophobicContact CD2-CB 4.33Å; L203-F592 HydrophobicContact CD2-CD2 4.07Å; L203-F592 HydrophobicContact CD2-CG 4.17Å; L203-F592 HydrophobicContact CG-CD2 4.41Å; L203-F592 HydrophobicContact CG-CE2 4.48Å; L203-F592 WeakPolarHBondContact O-CD1 3.24Å; L203-F592 VanDerWaalsContact O-CE1 3.29Å; L203-F592 WeakPolarHBondContact O-CE1 3.33Å; F571-F592 WeakPolarHBondContact CA-O 3.2Å; F571-F592 WeakPolarHBondContact CB-O 3.38Å; F571-F592 HydrophobicContact CD1-CB 4.11Å; F571-F592 HydrophobicContact CE1-CB 4.49Å; G572-F592 PolarHBondContact N-O 3.07Å
593	S	95.1	Very high	93.7	Very high	8 Å²	8	43.6 Å²	43.6	6%	0.056	23%	0.231	C	C	.	.			trans	-85.6	147	170.6	-168.8	0	0	0	0	111.6	Q204 F571 T573 W595 P596	Q204-S593 PolarHBondContact O-N 3.11Å; Q204-S593 VanDerWaalsContact O-N 3.08Å; F571-S593 WeakPolarHBondContact CD1-O 3.27Å; T573-S593 PolarHBondContact OG1-OG 3.08Å; S593-W595 VanDerWaalsContact C-N 3.32Å; S593-P596 WeakPolarHBondContact O-CD 3.47Å
594	V	96.1	Very high	93.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	-73.7	-21.1	176.5	74.8	0	0	0	0	113.3	H565 F571 T573 F574 F597 L598	H565-V594 HydrophobicContact CB-CG2 3.8Å; F571-V594 HydrophobicContact CB-CB 4.02Å; F571-V594 HydrophobicContact CD1-CB 4.33Å; F571-V594 HydrophobicContact CD2-CB 3.87Å; F571-V594 HydrophobicContact CD2-CG2 3.64Å; F571-V594 HydrophobicContact CE2-CB 4.37Å; F571-V594 HydrophobicContact CE2-CG2 3.83Å; F571-V594 HydrophobicContact CG-CB 3.83Å; F571-V594 HydrophobicContact CG-CG2 4.15Å; F571-V594 HydrophobicContact CZ-CG2 4.47Å; T573-V594 HydrophobicContact CG2-CG1 3.86Å; T573-V594 PolarHBondContact OG1-N 3.04Å; F574-V594 HydrophobicContact CE2-CG1 4.1Å; V594-F597 HydrophobicContact CG2-CD1 4.45Å; V594-F597 WeakPolarHBondContact O-CB 3.36Å; V594-F597 PolarHBondContact O-N 3.12Å; V594-L598 HydrophobicContact CG1-CD1 4.22Å; V594-L598 HydrophobicContact CG2-CD1 3.85Å; V594-L598 HydrophobicContact CG2-CG 4.07Å; V594-L598 PolarHBondContact O-N 2.81Å; V594-L598 VanDerWaalsContact O-N 3.09Å
595	W	95.9	Very high	94	Very high	13 Å²	13	40.2 Å²	40.2	5%	0.049	21%	0.209	C	C	.	.	H	α-helix	trans	-67	-39.7	-168.4	-53.2	128.2	0	0	0	115.6	R500 V503 E504 L508 L562 T573 F574 S593 F597 L598 A599	R500-W595 HydrophobicContact CB-CD2 4.31Å; R500-W595 HydrophobicContact CB-CE3 4.31Å; R500-W595 HydrophobicContact CG-CB 4.21Å; R500-W595 HydrophobicContact CG-CD2 3.65Å; R500-W595 HydrophobicContact CG-CE3 4.16Å; R500-W595 HydrophobicContact CG-CG 3.65Å; V503-W595 HydrophobicContact CB-CH2 3.83Å; V503-W595 HydrophobicContact CB-CZ2 4.22Å; V503-W595 HydrophobicContact CG1-CH2 3.78Å; V503-W595 HydrophobicContact CG1-CZ2 4.07Å; V503-W595 HydrophobicContact CG2-CH2 4.39Å; E504-W595 HydrophobicContact CG-CZ2 4.23Å; E504-W595 PolarHBondContact OE1-NE1 2.82Å; L508-W595 HydrophobicContact CD1-CZ2 4.27Å; L562-W595 HydrophobicContact CD1-CH2 3.98Å; L562-W595 HydrophobicContact CD1-CZ3 3.8Å; T573-W595 HydrophobicContact CG2-CZ2 3.67Å; F574-W595 AromaticContact CZ-CH2 3.98Å; F574-W595 HydrophobicContact CZ-CH2 3.98Å; F574-W595 HydrophobicContact CZ-CZ2 4.23Å; S593-W595 VanDerWaalsContact C-N 3.32Å; W595-F597 VanDerWaalsContact C-N 3.29Å; W595-F597 PolarHBondContact O-N 3.15Å; W595-L598 HydrophobicContact CE3-CD1 4.17Å; W595-L598 HydrophobicContact CZ3-CD1 4.17Å; W595-L598 PolarHBondContact O-N 2.58Å; W595-A599 WeakPolarHBondContact O-CB 3.4Å; W595-A599 PolarHBondContact O-N 3.14Å
596	P	93.2	Very high	94.1	Very high	25 Å²	25	43 Å²	43	16%	0.162	23%	0.231	C	C	.	.	H	α-helix	trans	-66.3	-32.9	177.8	-15.6	29.2	0	0	0	112.4	Q204 S593 A599	Q204-P596 HydrophobicContact CB-CG 3.77Å; Q204-P596 HydrophobicContact CG-CB 4.26Å; Q204-P596 HydrophobicContact CG-CG 4Å; S593-P596 WeakPolarHBondContact O-CD 3.47Å; P596-A599 PolarHBondContact O-N 2.94Å
597	F	93.8	Very high	94.3	Very high	31 Å²	31	45.9 Å²	45.9	14%	0.136	24%	0.242	C	C	.	.	H	α-helix	trans	-65.8	-45.4	172.1	165.9	-102.8	0	0	0	111.8	K561 H565 F571 V594 W595 A599 E600 Y603	K561-F597 HydrophobicContact CB-CE1 4.46Å; H565-F597 AromaticContact CD2-CE1 3.63Å; H565-F597 AromaticContact NE2-CE1 3.58Å; H565-F597 AromaticContact NE2-CZ 3.96Å; F571-F597 HydrophobicContact CE2-CD1 4.37Å; F571-F597 HydrophobicContact CZ-CB 4.16Å; F571-F597 HydrophobicContact CZ-CD1 4.24Å; F571-F597 HydrophobicContact CZ-CG 4.21Å; V594-F597 HydrophobicContact CG2-CD1 4.45Å; V594-F597 WeakPolarHBondContact O-CB 3.36Å; V594-F597 PolarHBondContact O-N 3.12Å; W595-F597 VanDerWaalsContact C-N 3.29Å; W595-F597 PolarHBondContact O-N 3.15Å; F597-A599 VanDerWaalsContact C-N 3.28Å; F597-A599 PolarHBondContact O-N 3.17Å; F597-E600 WeakPolarHBondContact CA-OE1 3.17Å; F597-E600 WeakPolarHBondContact CD2-OE1 3.31Å; F597-E600 WeakPolarHBondContact O-CB 3.45Å; F597-E600 WeakPolarHBondContact O-CG 3.35Å; F597-E600 PolarHBondContact O-N 2.85Å; F597-Y603 HydrophobicContact CE1-CE2 4.23Å; F597-Y603 HydrophobicContact CE2-CE2 4.23Å; F597-Y603 HydrophobicContact CZ-CE2 4.06Å; F597-Y603 AromaticContact CZ-CZ 3.98Å; F597-Y603 VanDerWaalsContact CZ-OH 3.22Å; F597-Y603 WeakPolarHBondContact CZ-OH 3.13Å; F597-Y603 WeakPolarHBondContact O-CD2 3.35Å; F597-Y603 WeakPolarHBondContact O-CE2 3.47Å
598	L	95	Very high	94.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-73.4	-16.7	177.3	-68.4	177.4	0	0	0	114	Y558 K561 L562 V594 W595 E600 Y603	Y558-L598 HydrophobicContact CD2-CB 3.94Å; Y558-L598 VanDerWaalsContact CD2-O 3.3Å; Y558-L598 WeakPolarHBondContact CD2-O 3.46Å; Y558-L598 HydrophobicContact CE1-CD1 4.42Å; Y558-L598 HydrophobicContact CE2-CB 3.54Å; Y558-L598 HydrophobicContact CE2-CD1 4.47Å; Y558-L598 HydrophobicContact CE2-CG 4.47Å; Y558-L598 WeakPolarHBondContact CE2-O 3.48Å; K561-L598 HydrophobicContact CB-CD2 3.68Å; L562-L598 HydrophobicContact CB-CD1 4.04Å; L562-L598 HydrophobicContact CD1-CD1 3.75Å; L562-L598 HydrophobicContact CG-CD1 4.44Å; V594-L598 HydrophobicContact CG1-CD1 4.22Å; V594-L598 HydrophobicContact CG2-CD1 3.85Å; V594-L598 HydrophobicContact CG2-CG 4.07Å; V594-L598 PolarHBondContact O-N 2.81Å; V594-L598 VanDerWaalsContact O-N 3.09Å; W595-L598 HydrophobicContact CE3-CD1 4.17Å; W595-L598 HydrophobicContact CZ3-CD1 4.17Å; W595-L598 PolarHBondContact O-N 2.58Å; L598-E600 VanDerWaalsContact C-N 3.26Å; L598-E600 PolarHBondContact O-N 3.25Å; L598-Y603 HydrophobicContact CD2-CD2 4.48Å; L598-Y603 WeakPolarHBondContact O-CB 3.38Å
599	A	93.9	Very high	94.5	Very high	43 Å²	43	53.7 Å²	53.7	36%	0.355	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-7.8	176.1	0	0	0	0	0	114.2	V496 W595 P596 F597	V496-A599 HydrophobicContact CG1-CB 4.26Å; W595-A599 WeakPolarHBondContact O-CB 3.4Å; W595-A599 PolarHBondContact O-N 3.14Å; P596-A599 PolarHBondContact O-N 2.94Å; F597-A599 VanDerWaalsContact C-N 3.28Å; F597-A599 PolarHBondContact O-N 3.17Å
600	E	91.6	Very high	94.3	Very high	37 Å²	37	55.9 Å²	55.9	17%	0.173	28%	0.283	C	S	.	.	S	Bend	trans	-59	150.3	-179.6	-69.8	174.1	-140.1	0	0	113.3	R202 F597 L598 M602 Y603	R202-E600 IonicContact CZ-OE1 3.37Å; R202-E600 IonicContact CZ-OE2 2.69Å; R202-E600 VanDerWaalsContact NE-CD 3.3Å; R202-E600 IonicContact NE-OE1 3.41Å; R202-E600 PolarHBondContact NE-OE1 3.42Å; R202-E600 IonicContact NE-OE2 3.58Å; R202-E600 PolarHBondContact NE-OE2 3.02Å; R202-E600 IonicContact NH2-OE1 2.75Å; R202-E600 PolarHBondContact NH2-OE1 3.25Å; R202-E600 IonicContact NH2-OE2 3.2Å; R202-E600 PolarHBondContact NH2-OE2 2.85Å; F597-E600 WeakPolarHBondContact CA-OE1 3.17Å; F597-E600 WeakPolarHBondContact CD2-OE1 3.31Å; F597-E600 WeakPolarHBondContact O-CB 3.45Å; F597-E600 WeakPolarHBondContact O-CG 3.35Å; F597-E600 PolarHBondContact O-N 2.85Å; L598-E600 VanDerWaalsContact C-N 3.26Å; L598-E600 PolarHBondContact O-N 3.25Å; E600-M602 HydrophobicContact CB-CG 4.21Å; E600-M602 PolarHBondContact O-N 2.72Å; E600-M602 VanDerWaalsContact O-N 3.15Å; E600-Y603 HydrophobicContact CB-CD2 4.06Å; E600-Y603 HydrophobicContact CB-CE2 4.4Å; E600-Y603 PolarHBondContact O-N 2.73Å
601	T	93.4	Very high	93.6	Very high	122 Å²	122	56.7 Å²	56.7	75%	0.748	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-60.4	-29	-174.6	50.2	0	0	0	0	113.8	Y603 R604	T601-Y603 PolarHBondContact O-N 2.96Å; T601-R604 WeakPolarHBondContact O-CB 3.3Å; T601-R604 PolarHBondContact O-N 2.92Å
602	M	92.9	Very high	92.6	Very high	121 Å²	121	59.1 Å²	59.1	60%	0.596	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-66.4	-16.9	175.6	66.2	-178.7	-68.3	0	0	114.4	E600	E600-M602 HydrophobicContact CB-CG 4.21Å; E600-M602 PolarHBondContact O-N 2.72Å; E600-M602 VanDerWaalsContact O-N 3.15Å
603	Y	95.9	Very high	91.9	Very high	13 Å²	13	61.9 Å²	61.9	5%	0.051	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-100.1	4.2	176.7	-59.2	-54.2	0	0	0	113.2	F554 S555 K561 F597 L598 E600 T601	F554-Y603 WeakPolarHBondContact CA-O 3.4Å; S555-Y603 PolarHBondContact N-O 2.82Å; S555-Y603 PolarHBondContact OG-O 3.46Å; K561-Y603 HydrophobicContact CB-CE1 4.44Å; K561-Y603 HydrophobicContact CG-CE1 3.79Å; F597-Y603 HydrophobicContact CE1-CE2 4.23Å; F597-Y603 HydrophobicContact CE2-CE2 4.23Å; F597-Y603 HydrophobicContact CZ-CE2 4.06Å; F597-Y603 AromaticContact CZ-CZ 3.98Å; F597-Y603 VanDerWaalsContact CZ-OH 3.22Å; F597-Y603 WeakPolarHBondContact CZ-OH 3.13Å; F597-Y603 WeakPolarHBondContact O-CD2 3.35Å; F597-Y603 WeakPolarHBondContact O-CE2 3.47Å; L598-Y603 HydrophobicContact CD2-CD2 4.48Å; L598-Y603 WeakPolarHBondContact O-CB 3.38Å; E600-Y603 HydrophobicContact CB-CD2 4.06Å; E600-Y603 HydrophobicContact CB-CE2 4.4Å; E600-Y603 PolarHBondContact O-N 2.73Å; T601-Y603 PolarHBondContact O-N 2.96Å
604	R	96.8	Very high	91.5	Very high	105 Å²	105	67.6 Å²	67.6	40%	0.396	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-86.3	145.2	173.7	-65.6	177.2	165	-100.1	-20.6	111.1	V496 E553 T601	V496-R604 HydrophobicContact CG2-CG 4.44Å; E553-R604 CarbonylContact O-C 3.58Å; E553-R604 WeakPolarHBondContact O-CA 3.36Å; E553-R604 IonicContact OE1-CZ 2.64Å; E553-R604 IonicContact OE1-NH1 3.19Å; E553-R604 PolarHBondContact OE1-NH1 3.48Å; E553-R604 IonicContact OE1-NH2 3.25Å; E553-R604 PolarHBondContact OE1-NH2 2.91Å; T601-R604 WeakPolarHBondContact O-CB 3.3Å; T601-R604 PolarHBondContact O-N 2.92Å
605	N	96.8	Very high	91.6	Very high	20 Å²	20	68.7 Å²	68.7	11%	0.107	35%	0.348	C	S	.	.			trans	-88.2	115.9	178.2	177.4	15.8	0	0	0	110.3	P549 F552 E553 L607 Y608	P549-N605 PolarHBondContact O-ND2 3.34Å; F552-N605 WeakPolarHBondContact O-CB 3.35Å; F552-N605 PolarHBondContact O-ND2 3.3Å; E553-N605 PolarHBondContact O-N 2.67Å; N605-L607 PolarHBondContact O-N 2.63Å; N605-L607 WeakPolarHBondContact OD1-CB 3.45Å; N605-L607 PolarHBondContact OD1-N 3.01Å; N605-Y608 WeakPolarHBondContact O-CB 3.37Å; N605-Y608 PolarHBondContact O-N 3.4Å; N605-Y608 VanDerWaalsContact O-N 3.15Å
606	P	96.3	Very high	91.7	Very high	125 Å²	125	68 Å²	68	81%	0.812	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-13.3	178.6	30.4	-36	0	0	0	113.5	Y608	P606-Y608 VanDerWaalsContact C-N 3.34Å
607	L	95.9	Very high	91.9	Very high	107 Å²	107	71.1 Å²	71.1	56%	0.56	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-3.3	174.4	-54.7	-179.3	0	0	0	113	C550 N605 K609	C550-L607 WeakPolarHBondContact CA-O 3.45Å; C550-L607 WeakPolarHBondContact CB-O 3.43Å; N605-L607 PolarHBondContact O-N 2.63Å; N605-L607 WeakPolarHBondContact OD1-CB 3.45Å; N605-L607 PolarHBondContact OD1-N 3.01Å; L607-K609 PolarHBondContact O-N 3.37Å
608	Y	96.8	Very high	92.1	Very high	51 Å²	51	69.8 Å²	69.8	20%	0.2	35%	0.348	C	S	.	.			trans	-63.2	128.5	-177.2	179.7	-122.7	0	0	0	112.1	C550 F552 E553 N605 P606 H610	C550-Y608 WeakPolarHBondContact O-CA 3.42Å; F552-Y608 WeakPolarHBondContact O-CB 3.09Å; F552-Y608 WeakPolarHBondContact O-CD2 3.23Å; E553-Y608 VanDerWaalsContact CA-CG 3.47Å; E553-Y608 HydrophobicContact CB-CD1 3.7Å; E553-Y608 HydrophobicContact CB-CD2 4.16Å; E553-Y608 HydrophobicContact CB-CE1 3.79Å; E553-Y608 HydrophobicContact CB-CE2 4.23Å; E553-Y608 HydrophobicContact CB-CG 3.89Å; E553-Y608 HydrophobicContact CG-CD1 3.69Å; E553-Y608 HydrophobicContact CG-CE1 3.93Å; E553-Y608 HydrophobicContact CG-CG 4.25Å; E553-Y608 VanDerWaalsContact N-CD2 3.31Å; N605-Y608 WeakPolarHBondContact O-CB 3.37Å; N605-Y608 PolarHBondContact O-N 3.4Å; N605-Y608 VanDerWaalsContact O-N 3.15Å; P606-Y608 VanDerWaalsContact C-N 3.34Å; Y608-H610 HydrophobicContact CE1-CB 4.4Å; Y608-H610 PolarHBondContact OH-CD2 2.91Å
609	K	92.8	Very high	92.3	Very high	141 Å²	141	71.4 Å²	71.4	61%	0.613	36%	0.362	S	S	*	.			trans	-127.4	120.2	170.8	176.6	178.9	173.7	-176	0	109	C550 L607 E611 T612	C550-K609 PolarHBondContact O-N 2.91Å; L607-K609 PolarHBondContact O-N 3.37Å; K609-E611 PolarHBondContact O-N 3.27Å; K609-T612 HydrophobicContact CB-CG2 3.63Å; K609-T612 HydrophobicContact CD-CG2 3.8Å; K609-T612 HydrophobicContact CG-CG2 3.74Å; K609-T612 WeakPolarHBondContact O-CG2 3.32Å
610	H	85.6	Confident	92.4	Very high	121 Å²	121	73.2 Å²	73.2	56%	0.56	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	133.7	-178.3	-167.3	-90.8	0	0	0	111.4	Y608 T612	Y608-H610 HydrophobicContact CE1-CB 4.4Å; Y608-H610 PolarHBondContact OH-CD2 2.91Å; H610-T612 VanDerWaalsContact C-N 3.29Å; H610-T612 PolarHBondContact O-N 3.16Å
611	E	77.1	Confident	92.7	Very high	94 Å²	94	74.6 Å²	74.6	44%	0.439	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	33.8	178	-74.6	-174.4	-114.2	0	0	116.7	P491 K609 E613 K614	P491-E611 HydrophobicContact CB-CG 4.38Å; P491-E611 HydrophobicContact CG-CG 4.49Å; K609-E611 PolarHBondContact O-N 3.27Å; E611-E613 VanDerWaalsContact C-N 3.31Å; E611-E613 PolarHBondContact O-N 3.48Å; E611-K614 IonicContact OE2-NZ 2.71Å; E611-K614 PolarHBondContact OE2-NZ 3.42Å
612	T	73.4	Confident	92.9	Very high	54 Å²	54	71.5 Å²	71.5	33%	0.331	36%	0.357	S	S	.	.	S	Bend	trans	-48.1	-52.1	167.9	37.2	0	0	0	0	113.1	C550 S551 K609 H610	C550-T612 HydrophobicContact CB-CG2 4.42Å; S551-T612 PolarHBondContact OG-OG1 2.94Å; K609-T612 HydrophobicContact CB-CG2 3.63Å; K609-T612 HydrophobicContact CD-CG2 3.8Å; K609-T612 HydrophobicContact CG-CG2 3.74Å; K609-T612 WeakPolarHBondContact O-CG2 3.32Å; H610-T612 VanDerWaalsContact C-N 3.29Å; H610-T612 PolarHBondContact O-N 3.16Å
613	E	80.8	Confident	93	Very high	69 Å²	69	75.4 Å²	75.4	32%	0.322	37%	0.365	S	S	.	.			trans	-135.7	123.1	-174.5	-65.8	167.7	122.2	0	0	108	R494 Y548 S551 E611 L616	R494-E613 PolarHBondContact NH1-O 2.94Å; Y548-E613 WeakPolarHBondContact CD1-OE1 3.41Å; Y548-E613 WeakPolarHBondContact CD1-OE2 3.33Å; Y548-E613 VanDerWaalsContact CE1-OE1 3.26Å; Y548-E613 WeakPolarHBondContact CE1-OE1 3.49Å; S551-E613 PolarHBondContact OG-OE2 3.43Å; E611-E613 VanDerWaalsContact C-N 3.31Å; E611-E613 PolarHBondContact O-N 3.48Å; E613-L616 HydrophobicContact CB-CD2 3.83Å; E613-L616 WeakPolarHBondContact OE2-CD2 3.38Å
614	K	88.7	Confident	93	Very high	128 Å²	128	79.1 Å²	79.1	56%	0.557	38%	0.382	S	S	*	.	S	Bend	trans	-72.2	-41.8	-178.8	-67.8	-178.4	-174.8	-82.8	0	111.3	P491 R494 E611	P491-K614 WeakPolarHBondContact CD-O 3.5Å; R494-K614 PolarHBondContact NH2-O 3.15Å; E611-K614 IonicContact OE2-NZ 2.71Å; E611-K614 PolarHBondContact OE2-NZ 3.42Å
615	V	97.2	Very high	93	Very high	22 Å²	22	74.8 Å²	74.8	13%	0.133	37%	0.366	C	S	.	.	S	Bend	trans	-126.9	131.2	174.6	-176.8	0	0	0	0	111	V457 E461 C488 L489 W617	V457-V615 HydrophobicContact CG1-CG1 3.68Å; E461-V615 HydrophobicContact CG-CB 4.4Å; E461-V615 HydrophobicContact CG-CG1 4.28Å; E461-V615 HydrophobicContact CG-CG2 4Å; C488-V615 VanDerWaalsContact O-CA 3.31Å; C488-V615 WeakPolarHBondContact O-CA 3.41Å; L489-V615 HydrophobicContact CD2-CG1 4.2Å; L489-V615 HydrophobicContact CD2-CG2 4.39Å; V615-W617 HydrophobicContact CB-CZ2 4.5Å; V615-W617 HydrophobicContact CG1-CZ2 3.77Å; V615-W617 PolarHBondContact O-NE1 3.37Å
616	L	98.1	Very high	93	Very high	0 Å²	0	79.3 Å²	79.3	0%	0	38%	0.383	C	S	.	.			trans	-88.5	146.5	176.1	-51.9	-175.4	0	0	0	111.7	C488 I544 Y548 F552 E613 P618	C488-L616 HydrophobicContact CB-CB 4.32Å; C488-L616 PolarHBondContact O-N 3.09Å; I544-L616 HydrophobicContact CG2-CD1 3.72Å; Y548-L616 HydrophobicContact CD1-CD2 3.99Å; Y548-L616 HydrophobicContact CD2-CB 4.17Å; Y548-L616 HydrophobicContact CD2-CD1 3.97Å; Y548-L616 HydrophobicContact CD2-CD2 4.22Å; Y548-L616 HydrophobicContact CD2-CG 4.34Å; Y548-L616 HydrophobicContact CE1-CD2 4.29Å; Y548-L616 HydrophobicContact CE2-CB 3.92Å; Y548-L616 HydrophobicContact CG-CD1 4.23Å; Y548-L616 HydrophobicContact CG-CD2 3.93Å; F552-L616 HydrophobicContact CE2-CD1 3.98Å; F552-L616 HydrophobicContact CZ-CD1 3.82Å; E613-L616 HydrophobicContact CB-CD2 3.83Å; E613-L616 WeakPolarHBondContact OE2-CD2 3.38Å; L616-P618 VanDerWaalsContact C-CD 3.46Å
617	W	98.1	Very high	92.9	Very high	90 Å²	90	74.8 Å²	74.8	34%	0.341	35%	0.35	S	S	.	.			trans	-130.8	59.9	-178.3	-61.4	92.8	0	0	0	111.8	M454 V457 H458 E461 K462 Y548 V615 A619	M454-W617 HydrophobicContact SD-CE3 4.22Å; V457-W617 HydrophobicContact CB-CZ3 4.46Å; V457-W617 HydrophobicContact CG1-CE3 4.3Å; V457-W617 HydrophobicContact CG1-CH2 3.78Å; V457-W617 HydrophobicContact CG1-CZ2 4.23Å; V457-W617 HydrophobicContact CG1-CZ3 3.82Å; H458-W617 HydrophobicContact CB-CH2 4.47Å; H458-W617 HydrophobicContact CB-CZ3 4.11Å; E461-W617 HydrophobicContact CB-CH2 4.39Å; E461-W617 HydrophobicContact CB-CZ2 4.33Å; E461-W617 HydrophobicContact CG-CH2 4.14Å; E461-W617 HydrophobicContact CG-CZ2 3.65Å; K462-W617 HydrophobicContact CD-CZ2 4.46Å; K462-W617 VanDerWaalsContact CE-CZ2 3.49Å; K462-W617 HydrophobicContact CG-CH2 4.01Å; K462-W617 HydrophobicContact CG-CZ2 4.41Å; Y548-W617 WeakPolarHBondContact OH-CA 3.49Å; Y548-W617 PolarHBondContact OH-N 2.79Å; Y548-W617 PolarHBondContact OH-O 3.07Å; V615-W617 HydrophobicContact CB-CZ2 4.5Å; V615-W617 HydrophobicContact CG1-CZ2 3.77Å; V615-W617 PolarHBondContact O-NE1 3.37Å; W617-A619 PolarHBondContact O-N 3.38Å
618	P	97.8	Very high	92.9	Very high	2 Å²	2	69.7 Å²	69.7	1%	0.013	32%	0.324	C	S	.	.			trans	-58.6	136.7	-172.5	25.3	-37.2	0	0	0	113.4	L450 M454 I544 Q547 Y548 L616 H620	L450-P618 HydrophobicContact CD1-CB 4.43Å; L450-P618 HydrophobicContact CD1-CG 3.82Å; L450-P618 HydrophobicContact CD2-CB 4.19Å; L450-P618 HydrophobicContact CD2-CG 4.43Å; L450-P618 HydrophobicContact CG-CG 4.27Å; M454-P618 HydrophobicContact CE-CG 3.71Å; M454-P618 HydrophobicContact SD-CG 4.08Å; I544-P618 HydrophobicContact CD1-CG 4.31Å; I544-P618 HydrophobicContact CG1-CB 4.02Å; I544-P618 HydrophobicContact CG1-CG 3.98Å; I544-P618 HydrophobicContact CG2-CB 4.46Å; I544-P618 HydrophobicContact CG2-CG 4.46Å; Q547-P618 VanDerWaalsContact OE1-CA 3.22Å; Y548-P618 HydrophobicContact CE2-CB 4.07Å; L616-P618 VanDerWaalsContact C-CD 3.46Å; P618-H620 PolarHBondContact O-N 2.73Å
619	A	97.9	Very high	92.7	Very high	35 Å²	35	69.6 Å²	69.6	29%	0.289	33%	0.331	S	S	.	.			trans	-69.4	117.6	174.7	0	0	0	0	0	109.7	Q547 W617 F624	Q547-A619 PolarHBondContact NE2-O 3.06Å; W617-A619 PolarHBondContact O-N 3.38Å; A619-F624 HydrophobicContact CB-CB 3.87Å; A619-F624 HydrophobicContact CB-CD1 4.42Å; A619-F624 HydrophobicContact CB-CD2 3.72Å; A619-F624 HydrophobicContact CB-CE2 4.29Å; A619-F624 HydrophobicContact CB-CG 3.77Å
620	H	97.2	Very high	92.7	Very high	81 Å²	81	66.9 Å²	66.9	38%	0.375	32%	0.322	S	S	.	.			trans	-104.7	-3.7	-169.8	56.9	-92.5	0	0	0	115	S447 L450 P618	S447-H620 WeakPolarHBondContact CA-O 3.41Å; S447-H620 VanDerWaalsContact CB-O 3.22Å; S447-H620 WeakPolarHBondContact CB-O 3.21Å; S447-H620 PolarHBondContact OG-O 3.3Å; L450-H620 HydrophobicContact CB-CB 3.72Å; L450-H620 HydrophobicContact CD2-CB 3.97Å; L450-H620 HydrophobicContact CG-CB 3.77Å; P618-H620 PolarHBondContact O-N 2.73Å
621	S	97	Very high	93	Very high	65 Å²	65	61.2 Å²	61.2	46%	0.455	30%	0.296	S	S	.	.	S	Bend	trans	-67.3	138.1	170.6	177.1	0	0	0	0	110.2	R623 F624	S621-R623 PolarHBondContact O-N 2.76Å; S621-F624 PolarHBondContact O-N 2.89Å
622	V	97.1	Very high	93.8	Very high	57 Å²	57	56.7 Å²	56.7	35%	0.345	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-45.3	-34.9	-178.2	174.1	0	0	0	0	113.7	M443 Q444 F624 L625	M443-V622 HydrophobicContact CB-CG1 3.89Å; Q444-V622 HydrophobicContact CG-CG2 4.2Å; V622-F624 PolarHBondContact O-N 3.37Å; V622-F624 VanDerWaalsContact O-N 3.13Å; V622-L625 PolarHBondContact O-N 3.12Å; V622-L625 VanDerWaalsContact O-N 3.08Å
623	R	95.4	Very high	94.4	Very high	204 Å²	204	55.9 Å²	55.9	77%	0.77	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-60.1	-20.5	178	-168.2	-178.8	67.2	179.3	-1.7	114.5	S621	S621-R623 PolarHBondContact O-N 2.76Å
624	F	96.5	Very high	94.1	Very high	90 Å²	90	53.3 Å²	53.3	40%	0.395	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-103.7	4.9	179.3	-58.9	-73.4	0	0	0	113.5	Q547 A619 S621 V622	Q547-F624 PolarHBondContact NE2-O 2.87Å; A619-F624 HydrophobicContact CB-CB 3.87Å; A619-F624 HydrophobicContact CB-CD1 4.42Å; A619-F624 HydrophobicContact CB-CD2 3.72Å; A619-F624 HydrophobicContact CB-CE2 4.29Å; A619-F624 HydrophobicContact CB-CG 3.77Å; S621-F624 PolarHBondContact O-N 2.89Å; V622-F624 PolarHBondContact O-N 3.37Å; V622-F624 VanDerWaalsContact O-N 3.13Å
625	L	97.4	Very high	92.5	Very high	14 Å²	14	52 Å²	52	7%	0.073	27%	0.268	C	S	.	.			trans	-102.7	142.8	180	-53.8	-175.6	0	0	0	110.2	M443 L446 L450 Q543 V622	M443-L625 HydrophobicContact CE-CB 3.57Å; M443-L625 WeakPolarHBondContact CE-O 3.16Å; M443-L625 WeakPolarHBondContact O-CD1 3.33Å; L446-L625 HydrophobicContact CB-CD1 4.01Å; L450-L625 HydrophobicContact CD2-CD2 4.2Å; Q543-L625 HydrophobicContact CB-CD2 4.19Å; Q543-L625 HydrophobicContact CG-CD2 4.1Å; V622-L625 PolarHBondContact O-N 3.12Å; V622-L625 VanDerWaalsContact O-N 3.08Å
626	Y	95.5	Very high	90	Very high	116 Å²	116	53.4 Å²	53.4	46%	0.455	27%	0.274	S	S	.	.			trans	-114.6	135.8	-176.9	-67.6	-89.4	0	0	0	111.1	Q543 R546 W628	Q543-Y626 PolarHBondContact NE2-O 2.97Å; R546-Y626 VanDerWaalsContact NH1-CG 3.29Å; Y626-W628 PolarHBondContact O-N 3.5Å
627	F	95.7	Very high	87.3	Confident	30 Å²	30	55.6 Å²	55.6	13%	0.132	30%	0.297	C	S	.	.			trans	-62.8	130.6	171.9	-171	-109	0	0	0	110.4	V420 W433 L437 S629 Y632 L633	V420-F627 HydrophobicContact CG1-CE2 3.87Å; V420-F627 HydrophobicContact CG1-CZ 3.95Å; W433-F627 HydrophobicContact CZ2-CE1 4.42Å; L437-F627 HydrophobicContact CD1-CD2 3.58Å; L437-F627 HydrophobicContact CD1-CE2 3.74Å; L437-F627 HydrophobicContact CD1-CG 4.46Å; L437-F627 HydrophobicContact CD2-CB 4.31Å; L437-F627 HydrophobicContact CD2-CD2 4.27Å; L437-F627 HydrophobicContact CD2-CG 4.45Å; F627-S629 PolarHBondContact O-N 3.04Å; F627-Y632 HydrophobicContact CD2-CD2 4.12Å; F627-Y632 HydrophobicContact CE1-CD2 4.15Å; F627-Y632 AromaticContact CE2-CD2 3.61Å; F627-Y632 HydrophobicContact CE2-CD2 3.61Å; F627-Y632 HydrophobicContact CE2-CE2 4.35Å; F627-Y632 HydrophobicContact CE2-CG 4.42Å; F627-Y632 AromaticContact CZ-CD2 3.63Å; F627-Y632 HydrophobicContact CZ-CD2 3.63Å; F627-Y632 HydrophobicContact CZ-CG 4.04Å; F627-L633 HydrophobicContact CE1-CD2 4.43Å; F627-L633 HydrophobicContact CE1-CG 4.27Å
628	W	95.8	Very high	84.6	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.285	C	S	.	.			trans	-82.6	65.8	-174.5	-163.3	13.4	0	0	0	112.3	L535 L538 D539 H542 L559 I560 A563 Y626 D630 V631 Y632	L535-W628 HydrophobicContact CD1-CZ3 4.22Å; L538-W628 HydrophobicContact CB-CH2 3.96Å; L538-W628 HydrophobicContact CB-CZ3 3.87Å; D539-W628 HydrophobicContact CB-CE3 3.72Å; D539-W628 HydrophobicContact CB-CZ3 4.16Å; H542-W628 HydrophobicContact CB-CD2 4.12Å; H542-W628 HydrophobicContact CB-CE3 4.48Å; H542-W628 HydrophobicContact CB-CH2 4.48Å; H542-W628 HydrophobicContact CB-CZ2 4.12Å; H542-W628 AromaticContact CD2-CD1 3.72Å; H542-W628 AromaticContact CD2-NE1 3.77Å; H542-W628 AromaticContact CE1-CD1 3.62Å; H542-W628 AromaticContact CE1-CG 3.63Å; H542-W628 AromaticContact CG-CD1 3.8Å; H542-W628 AromaticContact CG-CD2 3.92Å; H542-W628 AromaticContact CG-CE2 3.89Å; H542-W628 AromaticContact CG-CG 3.86Å; H542-W628 AromaticContact CG-NE1 3.83Å; H542-W628 AromaticContact ND1-CD1 3.74Å; H542-W628 AromaticContact ND1-CD2 3.84Å; H542-W628 AromaticContact ND1-CG 3.47Å; H542-W628 AromaticContact NE2-CD1 3.63Å; L559-W628 HydrophobicContact CB-CH2 4.06Å; L559-W628 HydrophobicContact CB-CZ2 3.88Å; I560-W628 HydrophobicContact CG1-CZ2 3.99Å; A563-W628 HydrophobicContact CB-CH2 4.4Å; Y626-W628 PolarHBondContact O-N 3.5Å; W628-D630 PolarHBondContact O-N 2.83Å; W628-D630 VanDerWaalsContact O-N 3.16Å; W628-V631 HydrophobicContact CD2-CB 4.13Å; W628-V631 HydrophobicContact CD2-CG2 3.66Å; W628-V631 VanDerWaalsContact CE2-CG2 3.46Å; W628-V631 HydrophobicContact CE3-CB 4.3Å; W628-V631 HydrophobicContact CE3-CG2 3.96Å; W628-V631 HydrophobicContact CG-CB 4.42Å; W628-V631 HydrophobicContact CG-CG2 4.25Å; W628-V631 HydrophobicContact CH2-CG2 3.94Å; W628-V631 HydrophobicContact CZ2-CG2 3.63Å; W628-V631 HydrophobicContact CZ3-CG2 4.09Å; W628-V631 PolarHBondContact O-N 3.09Å; W628-V631 VanDerWaalsContact O-N 3.11Å; W628-Y632 HydrophobicContact CB-CD2 3.99Å; W628-Y632 HydrophobicContact CB-CE2 3.77Å; W628-Y632 PolarHBondContact O-N 3.3Å
629	S	92.3	Very high	82	Confident	49 Å²	49	59.4 Å²	59.4	34%	0.343	32%	0.317	S	S	.	.	H	α-helix	trans	-53.2	-36.5	-174.3	-60.1	0	0	0	0	114.1	F627 V631 L633	F627-S629 PolarHBondContact O-N 3.04Å; S629-V631 PolarHBondContact O-N 3.05Å; S629-V631 VanDerWaalsContact O-N 3.16Å; S629-L633 WeakPolarHBondContact O-CA 3.43Å; S629-L633 WeakPolarHBondContact O-CB 3.37Å; S629-L633 PolarHBondContact O-N 3.22Å
630	D	91.4	Very high	79.4	Confident	83 Å²	83	60.1 Å²	60.1	44%	0.444	32%	0.315	S	S	.	.	H	α-helix	trans	-61.5	-24.1	-178.2	-52.9	-76.6	0	0	0	113.8	I560 W628 G634	I560-D630 HydrophobicContact CD1-CB 3.63Å; I560-D630 HydrophobicContact CG1-CB 4.36Å; W628-D630 PolarHBondContact O-N 2.83Å; W628-D630 VanDerWaalsContact O-N 3.16Å; D630-G634 CarbonylContact O-C 3.58Å
631	V	93.1	Very high	76.5	Confident	2 Å²	2	58 Å²	58	1%	0.012	32%	0.316	C	S	.	.	H	α-helix	trans	-99.3	-57.7	172.8	179.1	0	0	0	0	109.9	D96 L535 I560 W628 S629 L633 G634	D96-V631 HydrophobicContact CB-CG1 3.94Å; L535-V631 HydrophobicContact CD1-CG1 4.28Å; I560-V631 HydrophobicContact CB-CG2 4.47Å; I560-V631 HydrophobicContact CG1-CG2 3.98Å; I560-V631 HydrophobicContact CG2-CG2 4.38Å; W628-V631 HydrophobicContact CD2-CB 4.13Å; W628-V631 HydrophobicContact CD2-CG2 3.66Å; W628-V631 VanDerWaalsContact CE2-CG2 3.46Å; W628-V631 HydrophobicContact CE3-CB 4.3Å; W628-V631 HydrophobicContact CE3-CG2 3.96Å; W628-V631 HydrophobicContact CG-CB 4.42Å; W628-V631 HydrophobicContact CG-CG2 4.25Å; W628-V631 HydrophobicContact CH2-CG2 3.94Å; W628-V631 HydrophobicContact CZ2-CG2 3.63Å; W628-V631 HydrophobicContact CZ3-CG2 4.09Å; W628-V631 PolarHBondContact O-N 3.09Å; W628-V631 VanDerWaalsContact O-N 3.11Å; S629-V631 PolarHBondContact O-N 3.05Å; S629-V631 VanDerWaalsContact O-N 3.16Å; V631-L633 PolarHBondContact O-N 3.29Å; V631-G634 WeakPolarHBondContact O-CA 3.04Å; V631-G634 PolarHBondContact O-N 3.12Å
632	Y	93.7	Very high	73.5	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-71	-27.2	-168.1	-57.1	-32.6	0	0	0	114.4	D96 A97 S98 F417 C424 W442 L535 D539 F627 W628	D96-Y632 WeakPolarHBondContact O-CD1 3.37Å; A97-Y632 CarbonylContact C-O 3.35Å; A97-Y632 HydrophobicContact CB-CD1 4.12Å; S98-Y632 PolarHBondContact N-O 2.94Å; F417-Y632 HydrophobicContact CE2-CD1 4.19Å; F417-Y632 AromaticContact CE2-CE1 3.74Å; F417-Y632 HydrophobicContact CE2-CE1 3.74Å; F417-Y632 HydrophobicContact CZ-CD1 4.46Å; F417-Y632 HydrophobicContact CZ-CE1 4.22Å; C424-Y632 WeakPolarHBondContact CB-O 3.41Å; C424-Y632 PolarHBondContact SG-O 3.13Å; C424-Y632 VanDerWaalsContact SG-O 3.39Å; W442-Y632 VanDerWaalsContact CZ2-OH 3.3Å; W442-Y632 WeakPolarHBondContact CZ2-OH 3.28Å; W442-Y632 AromaticContact NE1-CE2 3.73Å; W442-Y632 AromaticContact NE1-CZ 3.93Å; W442-Y632 PolarHBondContact NE1-OH 2.83Å; L535-Y632 HydrophobicContact CD1-CE1 4.43Å; L535-Y632 HydrophobicContact CD2-CE1 4.19Å; L535-Y632 HydrophobicContact CG-CE1 4.32Å; D539-Y632 WeakPolarHBondContact CB-OH 3.49Å; D539-Y632 WeakPolarHBondContact OD2-CE2 3.47Å; D539-Y632 PolarHBondContact OD2-OH 3.08Å; D539-Y632 VanDerWaalsContact OD2-OH 3.04Å; F627-Y632 HydrophobicContact CD2-CD2 4.12Å; F627-Y632 HydrophobicContact CE1-CD2 4.15Å; F627-Y632 AromaticContact CE2-CD2 3.61Å; F627-Y632 HydrophobicContact CE2-CD2 3.61Å; F627-Y632 HydrophobicContact CE2-CE2 4.35Å; F627-Y632 HydrophobicContact CE2-CG 4.42Å; F627-Y632 AromaticContact CZ-CD2 3.63Å; F627-Y632 HydrophobicContact CZ-CD2 3.63Å; F627-Y632 HydrophobicContact CZ-CG 4.04Å; W628-Y632 HydrophobicContact CB-CD2 3.99Å; W628-Y632 HydrophobicContact CB-CE2 3.77Å; W628-Y632 PolarHBondContact O-N 3.3Å
633	L	86.8	Confident	70.4	Confident	37 Å²	37	65 Å²	65	19%	0.194	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	2.9	169.6	-52.4	179.7	0	0	0	112.1	C424 W433 F627 S629 V631 G637	C424-L633 HydrophobicContact CB-CD2 3.96Å; W433-L633 HydrophobicContact CH2-CD2 4.09Å; W433-L633 HydrophobicContact CZ2-CD2 4.37Å; F627-L633 HydrophobicContact CE1-CD2 4.43Å; F627-L633 HydrophobicContact CE1-CG 4.27Å; S629-L633 WeakPolarHBondContact O-CA 3.43Å; S629-L633 WeakPolarHBondContact O-CB 3.37Å; S629-L633 PolarHBondContact O-N 3.22Å; V631-L633 PolarHBondContact O-N 3.29Å; L633-G637 PolarHBondContact O-N 3.4Å
634	G	72.8	Confident	67.2	Low	15 Å²	15	62.7 Å²	62.7	16%	0.155	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	60.6	176.1	-169.3	0	0	0	0	0	113.9	D630 V631 L636 G637	D630-G634 CarbonylContact O-C 3.58Å; V631-G634 WeakPolarHBondContact O-CA 3.04Å; V631-G634 PolarHBondContact O-N 3.12Å; G634-L636 PolarHBondContact O-N 3.44Å; G634-G637 PolarHBondContact O-N 3.33Å; G634-G637 VanDerWaalsContact O-N 3.14Å
635	S	55.3	Low	64	Low	101 Å²	101	63.9 Å²	63.9	71%	0.706	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-66.4	7.1	176	-45.6	0	0	0	0	114.7
636	L	45.6	Very low	60.5	Low	51 Å²	51	71.4 Å²	71.4	27%	0.267	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-111.7	-4.7	177.9	-69.2	169.9	0	0	0	113.4	Y70 T72 G634 N638 K639	Y70-L636 HydrophobicContact CD1-CD2 3.8Å; Y70-L636 HydrophobicContact CE1-CD2 4.24Å; Y70-L636 HydrophobicContact CG-CD2 4.03Å; T72-L636 HydrophobicContact CG2-CD1 4.31Å; T72-L636 WeakPolarHBondContact OG1-CD1 3.23Å; G634-L636 PolarHBondContact O-N 3.44Å; L636-N638 PolarHBondContact O-N 3.02Å; L636-K639 PolarHBondContact O-N 3.25Å
637	G	41.1	Very low	57.1	Low	46 Å²	46	72.9 Å²	72.9	47%	0.474	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	45.3	165.5	0	0	0	0	0	115.3	L633 G634 K639	L633-G637 PolarHBondContact O-N 3.4Å; G634-G637 PolarHBondContact O-N 3.33Å; G634-G637 VanDerWaalsContact O-N 3.14Å; G637-K639 PolarHBondContact O-N 3.31Å
638	N	41.9	Very low	53.8	Low	18 Å²	18	76.4 Å²	76.4	10%	0.096	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	49	26	-177.8	-150.5	15.7	0	0	0	116.6	S426 P428 L636 N640	S426-N638 PolarHBondContact O-ND2 3.14Å; P428-N638 HydrophobicContact CB-CB 4.5Å; L636-N638 PolarHBondContact O-N 3.02Å; N638-N640 PolarHBondContact O-N 3.48Å
639	K	43.4	Very low	50.4	Low	154 Å²	154	82.8 Å²	82.8	67%	0.67	49%	0.486	S	S	*	.			trans	-68.1	11.9	171.5	-67.9	-172.1	177.8	-177.6	0	114.7	L636 G637 G641	L636-K639 PolarHBondContact O-N 3.25Å; G637-K639 PolarHBondContact O-N 3.31Å; K639-G641 PolarHBondContact O-N 3.42Å
640	N	41.8	Very low	47.3	Very low	49 Å²	49	88.4 Å²	88.4	26%	0.262	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	29.9	177.9	-77	-51.3	0	0	0	112.5	K65 N638	K65-N640 PolarHBondContact NZ-OD1 3.24Å; N638-N640 PolarHBondContact O-N 3.48Å
641	G	36.8	Very low	44.2	Very low	38 Å²	38	95.1 Å²	95.1	39%	0.392	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.2	6.8	-160.1	0	0	0	0	0	117.8	K639	K639-G641 PolarHBondContact O-N 3.42Å
642	T	33.2	Very low	41	Very low	108 Å²	108	103.8 Å²	103.8	66%	0.663	57%	0.566	S	S	*	*			trans	-142.1	101.4	177	54.3	0	0	0	0	113.1	L644	T642-L644 PolarHBondContact O-N 2.97Å
643	D	33.9	Very low	37.8	Very low	160 Å²	160	109.7 Å²	109.7	86%	0.856	61%	0.608	S	S	*	*			trans	-81.1	96.4	152.7	-77.4	-54.5	0	0	0	108.7
644	L	27.1	Very low	34.9	Very low	156 Å²	156	111 Å²	111	82%	0.817	63%	0.63	S	S	*	*	S	Bend	trans	-177.7	139.9	157.5	-102	169.1	0	0	0	109.3	T642	T642-L644 PolarHBondContact O-N 2.97Å
645	P	28.6	Very low	32.9	Very low	115 Å²	115	118.5 Å²	118.5	75%	0.747	66%	0.66	S	S	*	*			trans	-84.2	127.3	-178.6	32.4	-31.7	0	0	0	111.9
646	L	25.1	Very low	31.5	Very low	172 Å²	172	121 Å²	121	90%	0.901	67%	0.666	S	S	*	*			trans	-113	132.7	163.3	-91.3	166.6	0	0	0	109.9	S648	L646-S648 PolarHBondContact O-N 3.44Å
647	L	24.3	Very low	30.6	Very low	147 Å²	147	122.3 Å²	122.3	77%	0.77	69%	0.691	S	S	*	*			trans	-64.4	120.3	-161.9	-75.8	67	0	0	0	112.6	N649	L647-N649 PolarHBondContact O-N 3.47Å
648	S	25.3	Very low	30.1	Very low	103 Å²	103	127.7 Å²	127.7	72%	0.72	71%	0.709	S	S	*	*			trans	-59.5	121.5	141.3	44.5	0	0	0	0	107.6	L646 E650	L646-S648 PolarHBondContact O-N 3.44Å; S648-E650 VanDerWaalsContact C-N 3.25Å; S648-E650 PolarHBondContact O-N 3.31Å
649	N	25.8	Very low	29.3	Very low	135 Å²	135	135.3 Å²	135.3	72%	0.722	75%	0.746	S	S	*	*			trans	-81.7	69.8	-170.7	-159.9	-7.3	0	0	0	111	L647 R651	L647-N649 PolarHBondContact O-N 3.47Å; N649-R651 PolarHBondContact O-N 3.47Å
650	E	25.7	Very low	28.4	Very low	166 Å²	166	132.3 Å²	132.3	78%	0.776	75%	0.749	S	S	*	*			trans	-63.3	100.4	173.1	-78.2	-146.6	145.8	0	0	110.8	S648 Q652	S648-E650 VanDerWaalsContact C-N 3.25Å; S648-E650 PolarHBondContact O-N 3.31Å; E650-Q652 PolarHBondContact O-N 3.24Å
651	R	27.2	Very low	27.8	Very low	224 Å²	224	139 Å²	139	85%	0.845	78%	0.777	S	S	*	*			trans	-80.3	100.8	159.7	-73.9	-169.7	175.3	-167.3	-0.5	109.2	N649 S653	N649-R651 PolarHBondContact O-N 3.47Å; R651-S653 PolarHBondContact O-N 3Å
652	Q	26.1	Very low	27.3	Very low	184 Å²	184	142.7 Å²	142.7	86%	0.86	79%	0.791	S	S	*	*			trans	-53.9	128.3	167.1	-65.6	178.3	-6.3	0	0	110.6	E650	E650-Q652 PolarHBondContact O-N 3.24Å
653	S	26.7	Very low	27	Very low	125 Å²	125	149.1 Å²	149.1	87%	0.874	80%	0.803	S	S	*	*			trans	-144.5	134.1	154.6	-165.5	0	0	0	0	107.5	R651	R651-S653 PolarHBondContact O-N 3Å
654	G	26	Very low	26.7	Very low	63 Å²	63	146 Å²	146	65%	0.649	80%	0.795	S	S	*	*			trans	-114.3	162.2	-164.6	0	0	0	0	0	114.7
655	H	28.8	Very low	26.8	Very low	173 Å²	173	142.7 Å²	142.7	80%	0.801	78%	0.784	S	S	*	*			trans	75.2	127.9	161.1	-78.5	62.1	0	0	0	119.8
656	N	27.4	Very low	26.7	Very low	154 Å²	154	145.4 Å²	145.4	82%	0.824	79%	0.787	S	S	*	*			trans	65.2	108.8	143.7	-57.8	-9.2	0	0	0	119.7
657	G	26.9	Very low	26.9	Very low	78 Å²	78	144.5 Å²	144.5	80%	0.804	78%	0.783	S	S	*	*			trans	-170	139	162.7	0	0	0	0	0	112.4
658	L	30.6	Very low	27	Very low	160 Å²	160	144.7 Å²	144.7	84%	0.838	78%	0.784	S	S	*	*			trans	-102	142.3	178.6	-107	74.5	0	0	0	112.1
659	M	23.8	Very low	27	Very low	178 Å²	178	144.9 Å²	144.9	88%	0.877	78%	0.781	S	S	*	*			trans	69.7	160.6	147	-73.7	-163.5	168.4	0	0	122.3
660	A	26	Very low	27.1	Very low	90 Å²	90	144.3 Å²	144.3	74%	0.744	78%	0.783	S	S	*	*			trans	93.2	91.8	144.9	0	0	0	0	0	121.4
661	K	28.1	Very low	27	Very low	191 Å²	191	142.6 Å²	142.6	83%	0.83	78%	0.778	S	S	*	*				53.2	113.8	117.9	-76	-176.1	174.5	177.8	0	121.6
662	T	26.3	Very low	26.9	Very low	115 Å²	115	139.5 Å²	139.5	71%	0.706	77%	0.774	S	S	*	*				64.4	141	128.4	60.7	0	0	0	0	122.8
663	R	27.6	Very low	26.8	Very low	242 Å²	242	138 Å²	138	91%	0.913	77%	0.771	S	S	*	*			trans	69.8	165	152.1	-74	173.1	173.3	-175.2	-3.6	116.4
664	S	28.1	Very low	26.8	Very low	96 Å²	96	135.2 Å²	135.2	67%	0.671	76%	0.762	S	S	*	*			cis	-174.3	150.9	-31.3	-172.3	0	0	0	0	109.5
665	S	27.5	Very low	26.8	Very low	85 Å²	85	140.5 Å²	140.5	59%	0.594	77%	0.77	S	S	*	*			trans	69.3	162.9	156.2	-48.2	0	0	0	0	120.6
666	E	26.4	Very low	26.8	Very low	173 Å²	173	137.4 Å²	137.4	81%	0.808	77%	0.767	S	S	*	*			trans	54.3	109.1	162.8	-69	120.4	-125.1	0	0	117.4
667	D	30.3	Very low	26.7	Very low	152 Å²	152	136.7 Å²	136.7	81%	0.813	77%	0.769	S	S	*	*			cis	73.4	116.4	37.2	-162.1	16.5	0	0	0	114.8
668	L	26.3	Very low	26.7	Very low	152 Å²	152	140 Å²	140	80%	0.796	77%	0.766	S	S	*	*			trans	-174.8	94.6	160.5	-101.7	-179.2	0	0	0	112.1
669	T	25.4	Very low	26.5	Very low	106 Å²	106	138.1 Å²	138.1	65%	0.65	77%	0.767	S	S	*	*			trans	50.1	150	131.3	61.5	0	0	0	0	125.4
670	T	27	Very low	26.7	Very low	124 Å²	124	139.7 Å²	139.7	76%	0.761	76%	0.763	S	S	*	*			trans	80.8	101.2	149.1	41.9	0	0	0	0	122.9
671	N	24.4	Very low	26.7	Very low	129 Å²	129	146.2 Å²	146.2	69%	0.69	77%	0.768	S	S	*	*				38.1	127.1	118.8	-81.9	48	0	0	0	123.6
672	E	24.3	Very low	26.8	Very low	160 Å²	160	141.8 Å²	141.8	75%	0.748	76%	0.761	S	S	*	*				62.5	148.2	122.1	-65.9	-177.2	149.3	0	0	121.9
673	L	24.9	Very low	27	Very low	153 Å²	153	141.7 Å²	141.7	80%	0.801	77%	0.766	S	S	*	*			cis	-165.8	138	-17.7	178	70.9	0	0	0	110.2
674	G	26.3	Very low	27.3	Very low	66 Å²	66	137.4 Å²	137.4	68%	0.68	76%	0.761	S	S	*	*			trans	92.2	166.8	156.2	0	0	0	0	0	117.9
675	Q	26.6	Very low	28.2	Very low	174 Å²	174	137.9 Å²	137.9	81%	0.813	76%	0.761	S	S	*	*			cis	-161.2	143.2	-1.2	-132.4	178.3	36.6	0	0	113.6
676	S	27.7	Very low	28.3	Very low	107 Å²	107	140 Å²	140	75%	0.748	77%	0.766	S	S	*	*			trans	64.4	143.1	162.6	77.5	0	0	0	0	117
677	T	25.4	Very low	28.5	Very low	139 Å²	139	138.5 Å²	138.5	85%	0.853	76%	0.763	S	S	*	*			cis	-115.5	155.5	44.6	49.9	0	0	0	0	115.5
678	I	27.8	Very low	28.4	Very low	148 Å²	148	136.5 Å²	136.5	76%	0.759	76%	0.756	S	S	*	*			trans	-121.6	137	172.6	-67.8	172	0	0	0	107.9	R680	I678-R680 HydrophobicContact CG2-CG 4.43Å
679	S	26	Very low	28.3	Very low	121 Å²	121	134.9 Å²	134.9	85%	0.846	75%	0.753	S	S	*	*			trans	-140.5	116.6	150.1	-163.9	0	0	0	0	110.4
680	R	27.6	Very low	28.2	Very low	211 Å²	211	137.6 Å²	137.6	80%	0.796	76%	0.758	S	S	*	*			trans	-88.1	148.7	161	-61.8	170.9	175.6	165.4	-4.2	105.7	I678	I678-R680 HydrophobicContact CG2-CG 4.43Å
681	R	26.7	Very low	28.1	Very low	226 Å²	226	137.1 Å²	137.1	85%	0.853	76%	0.76	S	S	*	*				-175.4	151.9	73.7	-79.3	-177	178.1	-144	0.1	106.7
682	S	31.1	Very low	28.1	Very low	98 Å²	98	137.6 Å²	137.6	69%	0.685	76%	0.761	S	S	*	*			cis	72.4	92.5	34.1	82.7	0	0	0	0	115.5
683	S	29.1	Very low	28.2	Very low	114 Å²	114	136.1 Å²	136.1	80%	0.797	76%	0.762	S	S	*	*			trans	-167.8	108.7	159.6	53.4	0	0	0	0	113.4
684	D	35.5	Very low	28.2	Very low	152 Å²	152	134.4 Å²	134.4	81%	0.813	76%	0.758	S	S	*	*			trans	-59.8	164	138	-33.6	-96.2	0	0	0	108.9
685	P	46	Very low	28	Very low	105 Å²	105	138.5 Å²	138.5	68%	0.682	77%	0.765	S	S	*	*				-150.2	-179.4	74.7	29.9	-4.3	0	0	0	114
686	N	29.8	Very low	27.7	Very low	130 Å²	130	135.5 Å²	135.5	70%	0.695	76%	0.762	S	S	*	*				162.2	172.1	94	-95.4	-33.5	0	0	0	108.5
687	L	30.6	Very low	27.4	Very low	141 Å²	141	140 Å²	140	74%	0.738	77%	0.768	S	S	*	*			cis	-158.1	144.4	6.8	-152.1	71	0	0	0	105.9
688	T	27.1	Very low	27.3	Very low	110 Å²	110	141.5 Å²	141.5	68%	0.675	77%	0.771	S	S	*	*			cis	-141.8	-137.3	-24.3	21.3	0	0	0	0	104.9
689	V	24.9	Very low	27.1	Very low	119 Å²	119	138.6 Å²	138.6	72%	0.721	77%	0.769	S	S	*	*			cis	-156.8	159.9	-2.7	-124.6	0	0	0	0	105.3
690	E	23	Very low	27	Very low	163 Å²	163	140.1 Å²	140.1	76%	0.762	77%	0.768	S	S	*	*			cis	-147.8	157.3	-1	-169.5	159.5	-126.9	0	0	108.5	I692	E690-I692 HydrophobicContact CG-CG1 4.44Å
691	S	25.1	Very low	27	Very low	114 Å²	114	134.2 Å²	134.2	80%	0.797	76%	0.759	S	S	*	*			trans	-145	126.8	167.1	69.8	0	0	0	0	112.3
692	I	24.5	Very low	26.9	Very low	138 Å²	138	130.7 Å²	130.7	71%	0.708	76%	0.757	S	S	*	*			trans	-136.2	135.4	171.7	-50.5	177.5	0	0	0	102.7	E690	E690-I692 HydrophobicContact CG-CG1 4.44Å
693	V	27.6	Very low	26.8	Very low	129 Å²	129	131.1 Å²	131.1	78%	0.782	76%	0.76	S	S	*	*				-155.6	141.3	71.3	168.3	0	0	0	0	110.2
694	T	22.9	Very low	26.6	Very low	118 Å²	118	132.9 Å²	132.9	72%	0.724	76%	0.757	S	S	*	*			trans	-109.5	170	157.3	-49.4	0	0	0	0	108.2
695	D	23.5	Very low	26.1	Very low	152 Å²	152	134.4 Å²	134.4	81%	0.813	76%	0.757	S	S	*	*			trans	94.2	158	161.7	-61.1	-52	0	0	0	120.1
696	C	21	Very low	25.1	Very low	111 Å²	111	135.8 Å²	135.8	75%	0.75	76%	0.759	S	S	*	*			trans	-102.7	167.6	-168	-69.7	0	0	0	0	112.5
697	F	20.2	Very low	24.9	Very low	200 Å²	200	135.8 Å²	135.8	88%	0.877	76%	0.757	S	S	*	*			trans	28.2	98	151	-70.4	-71	0	0	0	118.1
698	N	23.4	Very low	24.6	Very low	171 Å²	171	140 Å²	140	91%	0.914	76%	0.763	S	S	*	*				-153.4	143.5	118.3	-117.9	-34.7	0	0	0	112.1
699	A	23.7	Very low	24.5	Very low	87 Å²	87	139.3 Å²	139.3	72%	0.719	76%	0.763	S	S	*	*			trans	-125.5	138.7	176.2	0	0	0	0	0	109.2
700	N	24.7	Very low	24.5	Very low	153 Å²	153	141.9 Å²	141.9	82%	0.818	77%	0.767	S	S	*	*			trans	-159.4	128.5	161.7	-122.4	-20.1	0	0	0	113
701	S	26.7	Very low	24.6	Very low	87 Å²	87	138 Å²	138	61%	0.608	76%	0.763	S	S	*	*			trans	49.1	123.7	140.5	66.6	0	0	0	0	119.6
702	N	25.6	Very low	24.7	Very low	152 Å²	152	138.9 Å²	138.9	81%	0.813	76%	0.759	S	S	*	*			cis	-147.9	167.3	5.8	-58.9	-70.8	0	0	0	107.3
703	S	27.9	Very low	24.7	Very low	107 Å²	107	139.3 Å²	139.3	75%	0.748	76%	0.763	S	S	*	*			cis	177.6	154.4	40.8	-172.3	0	0	0	0	106.8
704	M	24.7	Very low	24.8	Very low	152 Å²	152	137.3 Å²	137.3	75%	0.749	76%	0.755	S	S	*	*			cis	-170.2	158.7	-16.3	168.4	179.9	-67.3	0	0	107.8
705	F	25.9	Very low	25	Very low	184 Å²	184	138.2 Å²	138.2	81%	0.807	76%	0.76	S	S	*	*			trans	110.9	77.4	172.7	-77.7	-82.1	0	0	0	118
706	D	25.3	Very low	25.1	Very low	133 Å²	133	135.6 Å²	135.6	71%	0.711	75%	0.753	S	S	*	*				30.8	132.9	103	-136.5	4.9	0	0	0	117
707	I	24.7	Very low	25.6	Very low	131 Å²	131	138 Å²	138	67%	0.672	75%	0.754	S	S	*	*				-163.1	141.6	55.8	-81.2	178.2	0	0	0	112.1
708	R	24.4	Very low	26	Very low	228 Å²	228	134.3 Å²	134.3	86%	0.86	74%	0.743	S	S	*	*			trans	27	163.4	143.9	-62.8	-179.6	-175.1	-179.3	0.4	122.8
709	S	25.1	Very low	26.3	Very low	96 Å²	96	131.1 Å²	131.1	67%	0.671	73%	0.729	S	S	*	*			cis	179.8	173.7	-18.2	-179.6	0	0	0	0	108.5
710	E	24.7	Very low	26.5	Very low	173 Å²	173	134.2 Å²	134.2	81%	0.808	73%	0.729	S	S	*	*			trans	72.1	142	168.1	-55.3	-179.9	-157.4	0	0	116.5
711	A	26.1	Very low	26.7	Very low	81 Å²	81	133.5 Å²	133.5	67%	0.669	72%	0.721	S	S	*	*			cis	122.9	146.7	-3.2	0	0	0	0	0	114.4
712	N	25.9	Very low	26.7	Very low	133 Å²	133	134 Å²	134	71%	0.711	72%	0.724	S	S	*	*			trans	93.8	132.4	163	-55.2	-38.7	0	0	0	121.1
713	N	25.4	Very low	26.9	Very low	147 Å²	147	132.2 Å²	132.2	79%	0.786	72%	0.718	S	S	*	*			trans	73.2	153	141.7	-66.9	-5.1	0	0	0	121.8
714	S	28.4	Very low	26.8	Very low	88 Å²	88	135.3 Å²	135.3	62%	0.615	72%	0.718	S	S	*	*			cis	176.6	158.8	-25.2	58.5	0	0	0	0	111.2
715	V	27.9	Very low	27	Very low	137 Å²	137	133.6 Å²	133.6	83%	0.83	71%	0.712	S	S	*	*			trans	69.5	147.4	151.7	164.2	0	0	0	0	115.9
716	S	26.1	Very low	27.4	Very low	97 Å²	97	129.1 Å²	129.1	68%	0.678	70%	0.704	S	S	*	*			cis	-149.1	157.3	2.6	23.9	0	0	0	0	108.9
717	E	30.2	Very low	27.6	Very low	162 Å²	162	130.7 Å²	130.7	76%	0.757	70%	0.704	S	S	*	*				52.7	142.7	72.9	-74.7	-169.4	-153.7	0	0	114.4
718	N	28.5	Very low	27.8	Very low	122 Å²	122	131.1 Å²	131.1	65%	0.652	70%	0.703	S	S	*	*			cis	-167.9	173.7	9	-103.1	-13.6	0	0	0	109.9
719	V	30	Very low	27.9	Very low	103 Å²	103	126.1 Å²	126.1	62%	0.624	70%	0.698	S	S	*	*			cis	-178.1	158.8	-24	68.9	0	0	0	0	111.1
720	Q	28.6	Very low	28	Very low	152 Å²	152	128.7 Å²	128.7	71%	0.71	70%	0.699	S	S	*	*			trans	66	157.7	159.1	-88.9	168.3	-52.5	0	0	120.9
721	E	29.1	Very low	28.3	Very low	139 Å²	139	126.9 Å²	126.9	65%	0.65	70%	0.695	S	S	*	*			cis	-162.1	-154.1	-19.3	-135.8	-171.4	-92.5	0	0	109	V723	E721-V723 VanDerWaalsContact OE2-CG2 3.3Å; E721-V723 WeakPolarHBondContact OE2-CG2 3.16Å
722	S	27.4	Very low	28.4	Very low	98 Å²	98	129.3 Å²	129.3	69%	0.685	70%	0.696	S	S	*	*			cis	-154.9	128.1	6.3	57.5	0	0	0	0	114.8
723	V	28.1	Very low	28.6	Very low	114 Å²	114	128.5 Å²	128.5	69%	0.691	70%	0.696	S	S	*	*			trans	24	129.6	137.4	-145.9	0	0	0	0	123.5	E721	E721-V723 VanDerWaalsContact OE2-CG2 3.3Å; E721-V723 WeakPolarHBondContact OE2-CG2 3.16Å
724	K	27.3	Very low	28.9	Very low	171 Å²	171	127.5 Å²	127.5	74%	0.743	70%	0.696	S	S	*	*				168.8	134.7	110.3	-94.8	-168	166.9	-105	0	119.8
725	D	29.1	Very low	29	Very low	116 Å²	116	130.9 Å²	130.9	62%	0.62	71%	0.706	S	S	*	*			trans	48.7	146.6	133.7	-72.4	-49.5	0	0	0	122.8
726	S	32.7	Very low	29.1	Very low	91 Å²	91	127.4 Å²	127.4	64%	0.636	69%	0.692	S	S	*	*			cis	-176.7	156.7	-17	-111.7	0	0	0	0	111.8
727	K	29.1	Very low	29.2	Very low	165 Å²	165	129.6 Å²	129.6	72%	0.717	70%	0.702	S	S	*	*			trans	69.2	162	156.4	-71.4	-176	168.2	-66.4	0	121.4
728	E	29.2	Very low	29.2	Very low	140 Å²	140	130.6 Å²	130.6	65%	0.654	71%	0.707	S	S	*	*			cis	-179.7	172.6	-29.6	-162.5	163.9	-105.8	0	0	110.8
729	V	26.2	Very low	29.3	Very low	123 Å²	123	132 Å²	132	75%	0.745	72%	0.719	S	S	*	*			trans	77.2	157.4	164.5	-169.2	0	0	0	0	118.2
730	E	27.8	Very low	29.2	Very low	150 Å²	150	130 Å²	130	70%	0.701	72%	0.72	S	S	*	*				177.6	155	-65.5	-123.4	-167.7	138.6	0	0	110.6
731	L	31.4	Very low	30.3	Very low	135 Å²	135	128.4 Å²	128.4	71%	0.707	72%	0.722	S	S	*	*			trans	63.5	159.4	155.9	-60.9	165.8	0	0	0	118.4
732	D	27.1	Very low	30.1	Very low	132 Å²	132	128.2 Å²	128.2	71%	0.706	74%	0.735	S	S	*	*			cis	-138.3	-152.9	11.6	-155.7	80	0	0	0	113.2
733	V	31	Very low	30	Very low	116 Å²	116	127.4 Å²	127.4	70%	0.703	74%	0.742	S	S	*	*			trans	-139	-172.7	-157.4	177.8	0	0	0	0	112.4
734	T	31	Very low	30	Very low	127 Å²	127	133.4 Å²	133.4	78%	0.779	75%	0.753	S	S	*	*			trans	102.2	142.5	163.9	68.9	0	0	0	0	118.9
735	D	32.1	Very low	30.3	Very low	158 Å²	158	129.7 Å²	129.7	85%	0.845	75%	0.748	S	S	*	*			cis	-166	172.5	-27.1	-168.3	22.9	0	0	0	111.2
736	A	30	Very low	30.2	Very low	64 Å²	64	131.6 Å²	131.6	53%	0.529	76%	0.758	S	S	.	*			trans	95.1	113.2	140.6	0	0	0	0	0	123.4
737	T	28.5	Very low	30.4	Very low	144 Å²	144	134.6 Å²	134.6	88%	0.883	77%	0.767	S	S	*	*			trans	85.5	154.4	131.8	52.9	0	0	0	0	124.1
738	E	30	Very low	31.1	Very low	183 Å²	183	132.2 Å²	132.2	86%	0.855	77%	0.769	S	S	*	*			trans	-100.6	155.6	-168.6	-36.1	158.2	113.4	0	0	112.8
739	V	30.6	Very low	31.1	Very low	150 Å²	150	133 Å²	133	91%	0.909	78%	0.776	S	S	*	*			trans	-158.5	152.2	133.3	-164	0	0	0	0	109.7
740	G	27.2	Very low	32	Very low	62 Å²	62	131.8 Å²	131.8	64%	0.639	77%	0.77	S	S	*	*			trans	-92	-137.9	168.5	0	0	0	0	0	115.3
741	P	50.9	Low	32	Very low	119 Å²	119	130.8 Å²	130.8	77%	0.773	77%	0.77	S	S	*	*				-135.6	176.9	-85.1	41.6	-30.1	0	0	0	116
742	C	24.6	Very low	31.8	Very low	134 Å²	134	132.9 Å²	132.9	91%	0.905	77%	0.773	S	S	*	*			trans	70	141.2	161.1	-63	0	0	0	0	120.3
743	G	25.8	Very low	32	Very low	82 Å²	82	133.3 Å²	133.3	85%	0.845	77%	0.771	S	S	*	*			trans	174.3	148.6	169.2	0	0	0	0	0	113.9
744	R	27.8	Very low	31.9	Very low	240 Å²	240	134.8 Å²	134.8	91%	0.906	78%	0.775	S	S	*	*			trans	-127.1	139.3	-179.4	-106.8	-174	177.1	-179	-1.5	111.7
745	S	35.3	Very low	31.8	Very low	93 Å²	93	133.8 Å²	133.8	65%	0.65	77%	0.765	S	S	*	*			trans	33	125.1	149.5	60.6	0	0	0	0	121.2
746	N	25.5	Very low	31.8	Very low	155 Å²	155	134.1 Å²	134.1	83%	0.829	76%	0.761	S	S	*	*				-176.8	139.9	119.5	-88.9	-18.9	0	0	0	112.8
747	N	36.6	Very low	31.8	Very low	155 Å²	155	135 Å²	135	83%	0.829	76%	0.764	S	S	*	*			trans	-107.4	149.9	164.9	-68.8	-7.1	0	0	0	109.2
748	P	44.6	Very low	31.7	Very low	115 Å²	115	134.2 Å²	134.2	75%	0.747	76%	0.758	S	S	*	*				-134.8	147.6	105.9	7.4	16.3	0	0	0	113.3
749	I	28.5	Very low	31.6	Very low	156 Å²	156	129.7 Å²	129.7	80%	0.8	75%	0.753	S	S	*	*				71.7	138	71.1	-63.8	167.8	0	0	0	111.3
750	P	46.6	Very low	31.3	Very low	97 Å²	97	128 Å²	128	63%	0.63	75%	0.748	S	S	*	*			cis	-122	-173.1	30.8	21.5	6.1	0	0	0	114.6
751	D	27.1	Very low	31.3	Very low	130 Å²	130	133.4 Å²	133.4	70%	0.695	75%	0.753	S	S	*	*			cis	-142.9	-128.7	41	-79.7	-81.8	0	0	0	117.3
752	F	26.7	Very low	30.1	Very low	179 Å²	179	137.1 Å²	137.1	79%	0.785	75%	0.752	S	S	*	*			trans	-137.3	168.6	-141.7	-83.6	-105	0	0	0	113.8
753	H	31.3	Very low	30.1	Very low	141 Å²	141	136.7 Å²	136.7	65%	0.653	74%	0.741	S	S	*	*			cis	174.8	149.6	-36.6	-129.3	-86.2	0	0	0	110.1	D755	H753-D755 IonicContact ND1-OD1 2.67Å
754	N	28.4	Very low	30	Very low	146 Å²	146	139.9 Å²	139.9	78%	0.781	74%	0.737	S	S	*	*			trans	156.9	124.1	147.5	-90.5	7	0	0	0	109.2
755	D	30.7	Very low	29.7	Very low	106 Å²	106	134.8 Å²	134.8	57%	0.567	73%	0.727	S	S	*	*				89.2	143.8	52.9	-81.1	47.6	0	0	0	112.8	H753	H753-D755 IonicContact ND1-OD1 2.67Å
756	Q	32.1	Very low	29.1	Very low	166 Å²	166	138 Å²	138	78%	0.776	73%	0.732	S	S	*	*			cis	-171.2	166.6	-18.5	-110.5	-162.9	95.6	0	0	107.3
757	S	28.9	Very low	29	Very low	83 Å²	83	136.5 Å²	136.5	58%	0.58	73%	0.728	S	S	*	*			cis	-166.3	177.8	-6.4	61.8	0	0	0	0	112.6
758	T	27.5	Very low	28.4	Very low	126 Å²	126	137.6 Å²	137.6	77%	0.773	73%	0.728	S	S	*	*			trans	62.1	113	148.7	51.9	0	0	0	0	124.9
759	A	26.6	Very low	27.6	Very low	89 Å²	89	136.4 Å²	136.4	74%	0.736	72%	0.722	S	S	*	*				65.7	120.4	118.1	0	0	0	0	0	126.1
760	S	25.3	Very low	27.6	Very low	115 Å²	115	137 Å²	137	80%	0.804	72%	0.722	S	S	*	*				102.6	131.7	126.9	80.8	0	0	0	0	123.7
761	K	27.2	Very low	26.8	Very low	174 Å²	174	137.6 Å²	137.6	76%	0.757	72%	0.724	S	S	*	*			trans	51.9	128.6	144.6	-85.3	-178.7	178.6	172.5	0	123.5
762	R	24.8	Very low	26.9	Very low	197 Å²	197	138 Å²	138	74%	0.743	72%	0.722	S	S	*	*			trans	85.1	121.9	140.5	-74.1	-172.5	176.2	144	-6.3	121.4
763	D	24.6	Very low	27.2	Very low	126 Å²	126	139.6 Å²	139.6	67%	0.674	72%	0.722	S	S	*	*				65.3	133.3	121.3	-46.4	-19.3	0	0	0	122.9
764	I	23.3	Very low	27.1	Very low	149 Å²	149	143.6 Å²	143.6	76%	0.764	73%	0.732	S	S	*	*			trans	87.7	116.8	139	-76.5	166	0	0	0	121.5
765	L	21.5	Very low	27.1	Very low	132 Å²	132	141 Å²	141	69%	0.691	73%	0.725	S	S	*	*			trans	48.8	122.7	140.9	-57.8	175	0	0	0	124.2
766	E	23.7	Very low	26.9	Very low	162 Å²	162	140.5 Å²	140.5	76%	0.757	73%	0.73	S	S	*	*				70	169.8	124.6	-65.8	-176.7	129.8	0	0	123.1
767	V	23.8	Very low	26.7	Very low	123 Å²	123	138.8 Å²	138.8	75%	0.745	73%	0.725	S	S	*	*			trans	73.2	100.1	171.7	-162.1	0	0	0	0	113.2
768	E	24.1	Very low	26.5	Very low	178 Å²	178	142.1 Å²	142.1	83%	0.832	73%	0.732	S	S	*	*				59.8	143.3	76.2	-68.9	-158.9	140.3	0	0	114.3
769	S	27.7	Very low	26.5	Very low	90 Å²	90	141 Å²	141	63%	0.629	73%	0.729	S	S	*	*			cis	-164.1	177.2	-9.3	52.3	0	0	0	0	109.5
770	Q	26.8	Very low	26.9	Very low	169 Å²	169	142.1 Å²	142.1	79%	0.79	73%	0.731	S	S	*	*			trans	141	104	147.7	-76.4	179.3	29.7	0	0	110.8
771	T	30.3	Very low	27	Very low	109 Å²	109	145.2 Å²	145.2	67%	0.669	73%	0.733	S	S	*	*				69.3	147.5	72.4	68.2	0	0	0	0	114.2
772	Q	30.7	Very low	26.8	Very low	139 Å²	139	144.8 Å²	144.8	65%	0.65	74%	0.738	S	S	*	*			cis	-162.7	153.2	4.8	-128.6	175.9	85.7	0	0	106.1
773	R	31.3	Very low	27	Very low	211 Å²	211	142.6 Å²	142.6	80%	0.796	74%	0.74	S	S	*	*			cis	-144.4	-178.3	17.8	-77.6	152.8	-172	146	10.3	107.2
774	R	30.4	Very low	28.1	Very low	225 Å²	225	142.7 Å²	142.7	85%	0.849	75%	0.747	S	S	*	*			cis	-158.7	178.6	2.5	-135.6	-168.3	179.2	161	-0.5	105.2
775	S	27	Very low	28.1	Very low	93 Å²	93	139.5 Å²	139.5	65%	0.65	75%	0.751	S	S	*	*			cis	-160.3	139.9	-4.6	12.9	0	0	0	0	104.7
776	S	27.1	Very low	28.7	Very low	95 Å²	95	138.9 Å²	138.9	66%	0.664	76%	0.758	S	S	*	*			cis	103.4	132.1	26.9	72.2	0	0	0	0	112.7
777	L	27.9	Very low	28.7	Very low	129 Å²	129	137 Å²	137	68%	0.675	76%	0.757	S	S	*	*			cis	-170.6	166.1	-8.4	-107.6	171.8	0	0	0	105.3
778	E	25.9	Very low	28.7	Very low	153 Å²	153	140.1 Å²	140.1	72%	0.715	76%	0.761	S	S	*	*			cis	-97.1	-175.7	-8.4	-96.4	65.3	-137.6	0	0	110.9
779	S	27.2	Very low	28.8	Very low	103 Å²	103	138 Å²	138	72%	0.72	75%	0.754	S	S	*	*			cis	92.9	159.2	16.1	-36.5	0	0	0	0	117.3
780	S	33.5	Very low	28.8	Very low	112 Å²	112	142.7 Å²	142.7	78%	0.783	76%	0.763	S	S	*	*			trans	-152.3	-175.8	-172.5	61.6	0	0	0	0	112
781	Q	28.6	Very low	28.7	Very low	181 Å²	181	137.2 Å²	137.2	85%	0.846	75%	0.752	S	S	*	*			trans	113.1	146.6	166.3	-64.9	-178.8	7.3	0	0	117
782	L	23.6	Very low	28.5	Very low	164 Å²	164	137.9 Å²	137.9	86%	0.859	76%	0.761	S	S	*	*				-170.3	160.2	122	-104.2	166.5	0	0	0	112.2
783	I	27.5	Very low	28.3	Very low	152 Å²	152	136.1 Å²	136.1	78%	0.779	77%	0.765	S	S	*	*			trans	-134.6	-166.4	170.7	-32.7	179.7	0	0	0	108
784	P	48.7	Very low	28.2	Very low	128 Å²	128	133.5 Å²	133.5	83%	0.831	76%	0.761	S	S	*	*				-86.8	172.6	-120.4	42	-32.4	0	0	0	115.4
785	G	23.5	Very low	28.1	Very low	82 Å²	82	128.4 Å²	128.4	85%	0.845	75%	0.751	S	S	*	*			trans	157.1	152.6	162	0	0	0	0	0	114.2
786	S	32.5	Very low	28.1	Very low	118 Å²	118	129.3 Å²	129.3	83%	0.825	75%	0.748	S	S	*	*			trans	-129.2	175.5	176.7	58.1	0	0	0	0	111.2
787	V	25	Very low	28.2	Very low	122 Å²	122	132 Å²	132	74%	0.739	75%	0.748	S	S	*	*			trans	106.4	92.6	170	-177.2	0	0	0	0	117.5
788	F	23.5	Very low	28.1	Very low	190 Å²	190	133.3 Å²	133.3	83%	0.833	76%	0.756	S	S	*	*				60	147.7	128.9	-78.5	-80.1	0	0	0	125.5
789	I	26.2	Very low	28.1	Very low	132 Å²	132	130.6 Å²	130.6	68%	0.677	76%	0.76	S	S	*	*			trans	72.9	135.1	158.5	-70.1	-69.5	0	0	0	115.6
790	F	27.2	Very low	28	Very low	189 Å²	189	132.1 Å²	132.1	83%	0.829	76%	0.764	S	S	*	*			cis	-149.9	-176.5	-2.4	-126.6	-16.7	0	0	0	109.1
791	G	24.4	Very low	28.4	Very low	54 Å²	54	131.8 Å²	131.8	56%	0.557	76%	0.759	S	S	*	*			cis	167.6	178.6	-2.7	0	0	0	0	0	113.9
792	S	27.2	Very low	28.3	Very low	123 Å²	123	127 Å²	127	86%	0.86	75%	0.746	S	S	*	*			trans	82.3	136.8	165.6	-57	0	0	0	0	120.9
793	S	26.9	Very low	28.3	Very low	103 Å²	103	127.8 Å²	127.8	72%	0.72	75%	0.745	S	S	*	*			trans	72.5	120.7	169	-147.8	0	0	0	0	117.2
794	E	29.2	Very low	28.2	Very low	156 Å²	156	124.6 Å²	124.6	73%	0.729	74%	0.736	S	S	*	*			cis	-179.1	170.4	-11.7	-117.8	168.2	-80.8	0	0	109.7
795	N	28.3	Very low	27.1	Very low	118 Å²	118	126.3 Å²	126.3	63%	0.631	73%	0.733	S	S	*	*			cis	-152.6	159.7	-10.6	-150.9	-24.1	0	0	0	110.9
796	D	26.6	Very low	27.3	Very low	112 Å²	112	130.7 Å²	130.7	60%	0.599	73%	0.732	S	S	*	*			trans	52.3	132.3	146.1	-111.9	-11.2	0	0	0	125.3
797	K	28.8	Very low	27.1	Very low	152 Å²	152	128.7 Å²	128.7	66%	0.661	72%	0.718	S	S	*	*			trans	80.7	110.3	146.9	-66.6	157.9	-179.3	128.4	0	122.4
798	N	26.6	Very low	27.2	Very low	156 Å²	156	130 Å²	130	83%	0.834	72%	0.72	S	S	*	*			trans	66	143.3	130.6	-57.3	-5	0	0	0	120.2
799	A	25.7	Very low	27.6	Very low	96 Å²	96	125.2 Å²	125.2	79%	0.793	72%	0.715	S	S	*	*			cis	-163.4	168.6	-13.6	0	0	0	0	0	112
800	V	23.8	Very low	27.7	Very low	134 Å²	134	125.2 Å²	125.2	81%	0.812	72%	0.721	S	S	*	*			trans	-64.4	160.5	165.7	162.8	0	0	0	0	111.3
801	P	43.6	Very low	28.1	Very low	105 Å²	105	121.1 Å²	121.1	68%	0.682	72%	0.716	S	S	*	*			cis	-136.5	-164.7	13.2	26.9	0.4	0	0	0	116.4
802	S	24.6	Very low	28.4	Very low	81 Å²	81	127 Å²	127	57%	0.566	73%	0.729	S	S	*	*			trans	66.3	144.4	131.6	58.7	0	0	0	0	123.6
803	E	24.8	Very low	28.8	Very low	181 Å²	181	128.7 Å²	128.7	85%	0.846	72%	0.721	S	S	*	*			trans	64.6	165.5	150	-74.2	158.1	-154.6	0	0	116
804	S	24.3	Very low	29	Very low	85 Å²	85	130.4 Å²	130.4	59%	0.594	72%	0.721	S	S	*	*			cis	-156.4	171.7	-32.9	54.6	0	0	0	0	107.9
805	E	26.6	Very low	29.1	Very low	164 Å²	164	129.1 Å²	129.1	77%	0.766	72%	0.72	S	S	*	*			trans	52	130.9	149.2	-72.9	172.2	156.4	0	0	122.1
806	E	27.2	Very low	29.3	Very low	174 Å²	174	128.5 Å²	128.5	81%	0.813	73%	0.725	S	S	*	*			trans	64.1	173.1	136.1	-71.3	-147.9	-177.8	0	0	121.1
807	S	27.9	Very low	29.3	Very low	75 Å²	75	131.8 Å²	131.8	52%	0.524	74%	0.736	S	S	.	*			cis	-161.1	174.2	-47.1	68.7	0	0	0	0	108.4
808	L	27.6	Very low	29.3	Very low	150 Å²	150	130.3 Å²	130.3	79%	0.785	75%	0.745	S	S	*	*			trans	34.5	109.8	163.3	-82.6	69.1	0	0	0	118
809	A	32	Very low	29.4	Very low	90 Å²	90	126.1 Å²	126.1	74%	0.744	74%	0.739	S	S	*	*				45.5	124.5	78.6	0	0	0	0	0	115.9
810	T	28.8	Very low	29.8	Very low	131 Å²	131	131.4 Å²	131.4	80%	0.804	74%	0.739	S	S	*	*				-170.3	132	127	-78.7	0	0	0	0	112.8
811	S	35.6	Very low	30.8	Very low	103 Å²	103	130.3 Å²	130.3	72%	0.72	73%	0.734	S	S	*	*			trans	-12.4	146.9	161.3	-48.8	0	0	0	0	121.5
812	Q	31.2	Very low	30	Very low	178 Å²	178	131.7 Å²	131.7	83%	0.832	73%	0.73	S	S	*	*				173.1	154.7	126.3	-95.9	-178.5	84.6	0	0	110.5
813	K	34.5	Very low	30	Very low	159 Å²	159	136.5 Å²	136.5	69%	0.691	74%	0.741	S	S	*	*			cis	-175	160.3	-21.4	-149.3	-176.6	-175	173.8	0	108.6
814	L	30.7	Very low	29.9	Very low	138 Å²	138	134.4 Å²	134.4	72%	0.723	73%	0.734	S	S	*	*			trans	70.4	153.6	163.8	-50.9	167.5	0	0	0	115.4
815	N	31.2	Very low	30	Very low	129 Å²	129	140 Å²	140	69%	0.69	75%	0.748	S	S	*	*			cis	-161.5	152.2	-6.4	-121.8	0	0	0	0	113
816	S	32.2	Very low	29.9	Very low	106 Å²	106	135.5 Å²	135.5	74%	0.741	75%	0.746	S	S	*	*			trans	60.5	147.5	149.2	60.3	0	0	0	0	120.7
817	E	27.9	Very low	29.8	Very low	180 Å²	180	132.2 Å²	132.2	84%	0.841	74%	0.742	S	S	*	*			cis	-137.8	167	13.4	-70.7	-170.8	111.2	0	0	114.9
818	S	28.5	Very low	29.8	Very low	121 Å²	121	133.3 Å²	133.3	85%	0.846	75%	0.75	S	S	*	*			trans	12.8	147.7	159.9	58.8	0	0	0	0	124.7
819	G	29.4	Very low	29.8	Very low	69 Å²	69	133.4 Å²	133.4	71%	0.711	75%	0.746	S	S	*	*			cis	162.5	109.6	-14.9	0	0	0	0	0	119.6
820	R	32.7	Very low	29.6	Very low	207 Å²	207	135.3 Å²	135.3	78%	0.781	74%	0.744	S	S	*	*			trans	76.8	159.1	137.5	-79.4	-176.1	-171.6	-145.2	3.1	120.7
821	P	45.5	Very low	29.5	Very low	110 Å²	110	135 Å²	135	71%	0.714	74%	0.737	S	S	*	*			cis	-130.8	143.2	26	38.3	-20.4	0	0	0	121.1
822	F	27.7	Very low	29	Very low	134 Å²	134	137.3 Å²	137.3	59%	0.588	74%	0.736	S	S	*	*			trans	52.6	156.6	137.4	-72.7	-91.5	0	0	0	121.8
823	F	23.3	Very low	28.8	Very low	183 Å²	183	133.8 Å²	133.8	80%	0.803	73%	0.732	S	S	*	*			cis	-134.9	-178.9	21.1	-105.7	-72.7	0	0	0	115.3
824	I	24.2	Very low	28.8	Very low	137 Å²	137	132.1 Å²	132.1	70%	0.703	74%	0.737	S	S	*	*			trans	-142.4	166.1	-169.7	-76.5	175.4	0	0	0	111.4
825	F	26.2	Very low	28.5	Very low	202 Å²	202	132 Å²	132	89%	0.886	74%	0.742	S	S	*	*			trans	115.2	138.7	164.3	-69.3	-69.6	0	0	0	113.1
826	G	24.2	Very low	28.6	Very low	70 Å²	70	131 Å²	131	72%	0.722	74%	0.742	S	S	*	*			cis	175.4	178.4	-0.5	0	0	0	0	0	108.9
827	S	24.7	Very low	28.1	Very low	104 Å²	104	133.3 Å²	133.3	73%	0.727	75%	0.746	S	S	*	*			cis	-170.4	160.1	-7.5	-71.2	0	0	0	0	110.2
828	S	27.1	Very low	28	Very low	99 Å²	99	134.7 Å²	134.7	69%	0.692	75%	0.749	S	S	*	*			trans	65.9	151.7	160.6	-69	0	0	0	0	120.9
829	E	28.7	Very low	27.9	Very low	151 Å²	151	134.6 Å²	134.6	71%	0.706	75%	0.748	S	S	*	*			cis	-165.8	157.2	-16.3	-112.4	164	117.6	0	0	110.8
830	N	28.5	Very low	27.8	Very low	131 Å²	131	140.1 Å²	140.1	70%	0.701	76%	0.755	S	S	*	*			trans	32.9	151.5	149.1	-49.4	-15.1	0	0	0	121.9
831	D	25.6	Very low	27.6	Very low	124 Å²	124	137.2 Å²	137.2	66%	0.663	76%	0.756	S	S	*	*			cis	-167.1	167	24.7	-141	-32.8	0	0	0	114.8
832	Q	25.2	Very low	26.6	Very low	151 Å²	151	137.6 Å²	137.6	71%	0.706	76%	0.756	S	S	*	*			trans	39.6	110.2	152.2	-83.5	156.3	76.3	0	0	125.2
833	S	26.1	Very low	26.4	Very low	105 Å²	105	136.4 Å²	136.4	73%	0.734	76%	0.764	S	S	*	*				42.7	158.4	119	69.5	0	0	0	0	124.3
834	P	35.3	Very low	26.5	Very low	124 Å²	124	134.5 Å²	134.5	81%	0.805	76%	0.762	S	S	*	*			cis	-133.5	179.5	1.9	41.3	-22.9	0	0	0	117.7
835	V	23.6	Very low	26.6	Very low	135 Å²	135	136.6 Å²	136.6	82%	0.818	77%	0.773	S	S	*	*			trans	-58.5	145.7	174.3	165.4	0	0	0	0	113.1
836	P	33.3	Very low	26.6	Very low	108 Å²	108	131.9 Å²	131.9	70%	0.701	77%	0.765	S	S	*	*				-153.3	160.9	70.6	42.3	-21.3	0	0	0	122.6
837	L	22.4	Very low	26.8	Very low	155 Å²	155	140.5 Å²	140.5	81%	0.812	78%	0.776	S	S	*	*			trans	68.1	88.1	148.5	-76	163.9	0	0	0	121.1
838	K	25	Very low	26.9	Very low	208 Å²	208	140.3 Å²	140.3	90%	0.904	78%	0.781	S	S	*	*				166.1	148.9	111.2	-90	171.6	-178.8	-178	0	110.7
839	S	26.4	Very low	26.8	Very low	119 Å²	119	142.8 Å²	142.8	83%	0.832	79%	0.785	S	S	*	*			trans	-131.9	141.3	175.9	54.9	0	0	0	0	111.3
840	E	27.7	Very low	26.8	Very low	185 Å²	185	146.6 Å²	146.6	86%	0.864	79%	0.793	S	S	*	*			trans	-91.1	167.9	170.2	-62.7	174.1	112.2	0	0	110.7
841	D	28.7	Very low	26.7	Very low	147 Å²	147	149.9 Å²	149.9	79%	0.786	80%	0.804	S	S	*	*			trans	145.8	149	144.1	-87.9	15.2	0	0	0	112.8
842	T	25	Very low	26.5	Very low	117 Å²	117	147.3 Å²	147.3	72%	0.718	81%	0.807	S	S	*	*			cis	-160.2	147.2	-27.4	17.5	0	0	0	0	108.6
843	S	23.3	Very low	26.5	Very low	109 Å²	109	145.1 Å²	145.1	76%	0.762	82%	0.815	S	S	*	*			trans	161.2	141	153.3	37.5	0	0	0	0	109.3
844	D	24.1	Very low	26.6	Very low	144 Å²	144	147.1 Å²	147.1	77%	0.77	82%	0.816	S	S	*	*			cis	-131.5	136.6	-2.5	-89.5	-41.1	0	0	0	111.2
845	I	27	Very low	26.3	Very low	180 Å²	180	148.8 Å²	148.8	92%	0.923	81%	0.813	S	S	*	*			trans	-108.8	93.4	168.9	-59.6	178.3	0	0	0	109
846	S	26.4	Very low	27	Very low	103 Å²	103	144.3 Å²	144.3	72%	0.72	79%	0.786	S	S	*	*			trans	-159.8	31.3	173.8	58.3	0	0	0	0	116.2
847	R	27.8	Very low	27.3	Very low	252 Å²	252	140 Å²	140	95%	0.951	76%	0.758	S	S	*	*			trans	-150.2	51.1	-179.7	-122.5	169.9	-166.2	168	4.5	117.4
848	A	28.5	Very low	28.2	Very low	100 Å²	100	134.5 Å²	134.5	83%	0.826	73%	0.731	S	S	*	*			trans	-143.6	71.5	175.5	0	0	0	0	0	113.6
849	L	25	Very low	29	Very low	151 Å²	151	125.6 Å²	125.6	79%	0.791	69%	0.693	S	S	*	*	S	Bend	trans	-153.1	145.4	166.8	-101.1	170	0	0	0	109.2
850	W	27.1	Very low	29.4	Very low	231 Å²	231	123.6 Å²	123.6	88%	0.875	68%	0.676	S	S	*	*	S	Bend	trans	69.7	46	174.2	-57.7	105.9	0	0	0	119.4
851	H	26.4	Very low	29.6	Very low	199 Å²	199	121.8 Å²	121.8	92%	0.921	67%	0.672	S	S	*	*			trans	-134.1	76.5	151.5	-79.3	-65.8	0	0	0	111
852	G	22.9	Very low	29.8	Very low	70 Å²	70	122 Å²	122	72%	0.722	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-93.6	138.1	163.9	0	0	0	0	0	110	I854	G852-I854 PolarHBondContact O-N 3.44Å
853	A	25.2	Very low	29.9	Very low	106 Å²	106	122.1 Å²	122.1	88%	0.876	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-67.7	130.2	170.3	0	0	0	0	0	109.6
854	I	27.6	Very low	30	Very low	146 Å²	146	121.8 Å²	121.8	75%	0.749	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-87.2	126.8	171.8	-61	174.5	0	0	0	107.1	G852 T856	G852-I854 PolarHBondContact O-N 3.44Å; I854-T856 PolarHBondContact O-N 3.03Å; I854-T856 VanDerWaalsContact O-N 3.12Å
855	E	28.9	Very low	30.1	Very low	160 Å²	160	123.3 Å²	123.3	75%	0.748	68%	0.68	S	S	*	*			trans	-59.6	112.5	173.7	-62	-177.8	147	0	0	109.8	S857	E855-S857 PolarHBondContact O-N 3.38Å
856	T	38.6	Very low	30.1	Very low	41 Å²	41	120.7 Å²	120.7	25%	0.252	68%	0.675	S	S	.	*	S	Bend	trans	-79.2	-4.1	-173.8	49.4	0	0	0	0	114.6	E529 I854	E529-T856 VanDerWaalsContact OE1-C 3.25Å; E529-T856 WeakPolarHBondContact OE1-CB 3.44Å; E529-T856 PolarHBondContact OE1-OG1 3.31Å; I854-T856 PolarHBondContact O-N 3.03Å; I854-T856 VanDerWaalsContact O-N 3.12Å
857	S	39.3	Very low	30.1	Very low	17 Å²	17	122.4 Å²	122.4	12%	0.119	68%	0.68	C	S	.	*			trans	-105.1	91.4	163.3	-173.8	0	0	0	0	112	H411 E529 E855 D859	H411-S857 PolarHBondContact NE2-OG 3.41Å; E529-S857 PolarHBondContact OE1-N 2.91Å; E855-S857 PolarHBondContact O-N 3.38Å; S857-D859 PolarHBondContact O-N 2.88Å; S857-D859 VanDerWaalsContact O-N 3.12Å
858	T	41.4	Very low	29.9	Very low	39 Å²	39	119.1 Å²	119.1	24%	0.239	68%	0.676	C	S	.	*	T	Hydrogen-bonded Turn	trans	-74.5	15.5	166.6	41.8	0	0	0	0	113.3	N384 R387	N384-T858 PolarHBondContact OD1-OG1 2.66Å; R387-T858 WeakPolarHBondContact CD-O 3.38Å; R387-T858 PolarHBondContact NH1-O 3.48Å
859	D	41.2	Very low	29.8	Very low	21 Å²	21	123.3 Å²	123.3	11%	0.112	68%	0.676	C	S	.	*	T	Hydrogen-bonded Turn	trans	-120.9	12.4	-166.7	-105.2	20.4	0	0	0	113.4	N384 N409 R477 S857 L861	N384-D859 PolarHBondContact ND2-OD1 3.43Å; N409-D859 WeakPolarHBondContact CB-OD2 3.33Å; N409-D859 WeakPolarHBondContact ND2-CB 3.36Å; N409-D859 PolarHBondContact ND2-OD2 3.13Å; R477-D859 IonicContact NH2-OD2 3.63Å; S857-D859 PolarHBondContact O-N 2.88Å; S857-D859 VanDerWaalsContact O-N 3.12Å; D859-L861 PolarHBondContact O-N 2.74Å
860	T	35.9	Very low	29.9	Very low	78 Å²	78	122 Å²	122	48%	0.479	68%	0.676	S	S	.	*			trans	-73.8	84.9	175	35.6	0	0	0	0	113.1	R387	R387-T860 PolarHBondContact NH2-O 3.1Å
861	L	31.7	Very low	29.7	Very low	146 Å²	146	118.5 Å²	118.5	76%	0.764	68%	0.675	S	S	*	*			trans	-163.1	136.2	145.2	-93.9	-167.5	0	0	0	109	D859	D859-L861 PolarHBondContact O-N 2.74Å
862	I	31.7	Very low	29.7	Very low	153 Å²	153	113.7 Å²	113.7	79%	0.785	66%	0.663	S	S	*	*			trans	-117.8	123.8	173.4	-60	175.3	0	0	0	107.7	A864	I862-A864 PolarHBondContact O-N 2.71Å
863	P	27	Very low	29.8	Very low	119 Å²	119	116.5 Å²	116.5	77%	0.773	66%	0.662	S	S	*	*			trans	-62.9	124.9	168.4	-19.9	32.8	0	0	0	110.3	E865	P863-E865 PolarHBondContact O-N 2.69Å
864	A	25.8	Very low	29.8	Very low	101 Å²	101	118.5 Å²	118.5	84%	0.835	66%	0.657	S	S	*	*			trans	-88.3	104.9	177.9	0	0	0	0	0	110.4	I862	I862-A864 PolarHBondContact O-N 2.71Å
865	E	26.6	Very low	29.8	Very low	177 Å²	177	116 Å²	116	83%	0.827	65%	0.653	S	S	*	*			trans	-77.2	140.7	169.4	-69.2	-167	161.1	0	0	111.4	P863 V867	P863-E865 PolarHBondContact O-N 2.69Å; E865-V867 PolarHBondContact O-N 3.21Å
866	P	26.7	Very low	29.8	Very low	125 Å²	125	113.5 Å²	113.5	81%	0.812	65%	0.653	S	S	*	*			trans	-80.1	109.6	-173.9	30.8	-34.4	0	0	0	112.4	Q868	P866-Q868 PolarHBondContact O-N 3.41Å
867	V	26.3	Very low	29.4	Very low	138 Å²	138	121.7 Å²	121.7	84%	0.836	68%	0.679	S	S	*	*			trans	-71.6	115	171	179	0	0	0	0	110.1	E865	E865-V867 PolarHBondContact O-N 3.21Å
868	Q	24.9	Very low	28.9	Very low	183 Å²	183	125.1 Å²	125.1	86%	0.855	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-66.2	134.7	170.4	-66.7	179.4	-11.3	0	0	110.5	P866	P866-Q868 PolarHBondContact O-N 3.41Å
869	K	25.9	Very low	28.2	Very low	189 Å²	189	130.8 Å²	130.8	82%	0.822	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-93.6	137.6	167.8	-73.9	-173.6	176.3	-177.1	0	110.2
870	P	26.5	Very low	27.5	Very low	122 Å²	122	136.2 Å²	136.2	79%	0.792	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-74.6	140.5	164.1	32.3	-32.7	0	0	0	110.1
871	N	24.1	Very low	26.9	Very low	159 Å²	159	138.9 Å²	138.9	85%	0.85	76%	0.764	S	S	*	*			trans	-118.2	140.3	161.8	-82.6	-4.5	0	0	0	107.9
872	S	26.3	Very low	26.5	Very low	97 Å²	97	136.7 Å²	136.7	68%	0.678	76%	0.761	S	S	*	*			trans	-104.1	164.7	167.2	64.1	0	0	0	0	111.2
873	D	24.1	Very low	27.3	Very low	129 Å²	129	134.1 Å²	134.1	69%	0.69	75%	0.754	S	S	*	*			trans	72.2	94.8	158	-49.5	-50.5	0	0	0	119.8
874	N	25.4	Very low	27.3	Very low	148 Å²	148	134.5 Å²	134.5	79%	0.791	75%	0.754	S	S	*	*				40.2	139.7	105.1	-69.4	-35.8	0	0	0	119.6
875	S	27.6	Very low	27.3	Very low	94 Å²	94	137.7 Å²	137.7	66%	0.657	75%	0.754	S	S	*	*			cis	-170.3	159.7	5.7	44.4	0	0	0	0	114
876	S	28.8	Very low	27.3	Very low	107 Å²	107	136.7 Å²	136.7	75%	0.748	75%	0.75	S	S	*	*			trans	67.7	157.4	148.2	62.8	0	0	0	0	120.7
877	R	30.5	Very low	27.4	Very low	213 Å²	213	137.1 Å²	137.1	80%	0.804	74%	0.744	S	S	*	*			cis	-173.1	160.9	-20.7	-95.9	-176.4	76.6	168.5	-0.8	105.4
878	D	29.1	Very low	27.4	Very low	90 Å²	90	136.4 Å²	136.4	48%	0.481	74%	0.74	S	S	.	*			cis	-137.3	-156.7	-1	-106	6.6	0	0	0	107.7
879	H	26.9	Very low	27.6	Very low	158 Å²	158	133 Å²	133	73%	0.731	74%	0.737	S	S	*	*			cis	-152.2	144.4	21.6	-85.3	-70.8	0	0	0	110.3
880	I	25.9	Very low	27.6	Very low	135 Å²	135	127.8 Å²	127.8	69%	0.692	74%	0.736	S	S	*	*				52	120.2	98.5	-47.5	179.3	0	0	0	113.3
881	T	24	Very low	27.8	Very low	133 Å²	133	127.9 Å²	127.9	82%	0.816	73%	0.73	S	S	*	*			cis	-155	179.8	45.4	-21.1	0	0	0	0	114.3
882	S	22.7	Very low	28.1	Very low	101 Å²	101	130.2 Å²	130.2	71%	0.706	73%	0.726	S	S	*	*			trans	-93.3	-161.1	-177.7	58.3	0	0	0	0	114.2
883	P	47.2	Very low	28.1	Very low	99 Å²	99	133.4 Å²	133.4	64%	0.643	73%	0.728	S	S	*	*			cis	-146.3	179.5	0.5	40	-17.7	0	0	0	120.1
884	T	28.5	Very low	28.3	Very low	126 Å²	126	132.3 Å²	132.3	77%	0.773	72%	0.722	S	S	*	*			trans	67	156.8	150.2	40.6	0	0	0	0	121
885	M	24.6	Very low	28.4	Very low	169 Å²	169	133 Å²	133	83%	0.833	72%	0.721	S	S	*	*			cis	-150.6	172.2	2.1	-144.6	167.8	170.8	0	0	114.6
886	E	26.5	Very low	28.4	Very low	156 Å²	156	132.6 Å²	132.6	73%	0.729	72%	0.718	S	S	*	*			trans	-70.3	-177.8	171.2	-72.9	-177	126.7	0	0	115.9
887	L	28.6	Very low	28.3	Very low	134 Å²	134	134.2 Å²	134.2	70%	0.702	72%	0.723	S	S	*	*			cis	-166.1	-179.7	4.7	-126.4	167.4	0	0	0	111.6
888	V	27.6	Very low	28.1	Very low	123 Å²	123	128.6 Å²	128.6	75%	0.745	72%	0.716	S	S	*	*			trans	72.3	157.4	154.3	154.5	0	0	0	0	119.3
889	S	28.4	Very low	27.9	Very low	112 Å²	112	130.3 Å²	130.3	78%	0.783	73%	0.73	S	S	*	*			cis	171.5	146.9	-46.5	-80.2	0	0	0	0	109.2
890	G	27.2	Very low	27.9	Very low	78 Å²	78	128.1 Å²	128.1	80%	0.804	73%	0.728	S	S	*	*			trans	151.6	96.1	158.9	0	0	0	0	0	123.1
891	D	30.2	Very low	27.9	Very low	124 Å²	124	130.3 Å²	130.3	66%	0.663	74%	0.735	S	S	*	*				44.8	133.1	126.8	-95.8	1.7	0	0	0	127.3
892	R	30.3	Very low	28.1	Very low	208 Å²	208	128.5 Å²	128.5	79%	0.785	73%	0.734	S	S	*	*			trans	73.9	159.5	140.5	-64.2	177.5	-148.6	-163.2	8.9	119.7
893	K	27.1	Very low	28.3	Very low	164 Å²	164	128.5 Å²	128.5	71%	0.713	73%	0.733	S	S	*	*			cis	-164.9	152.5	-10.7	-122.5	-159.8	169.9	-155.7	0	113.8
894	L	27.5	Very low	27.5	Very low	106 Å²	106	133 Å²	133	56%	0.555	74%	0.743	S	S	*	*			trans	57.4	135.5	138.9	-104.7	64.5	0	0	0	126.5
895	E	26.6	Very low	27.5	Very low	164 Å²	164	135.4 Å²	135.4	77%	0.766	75%	0.749	S	S	*	*			trans	64.7	158.3	132.2	-77.7	168.6	-154.6	0	0	123.2
896	S	28	Very low	27.6	Very low	85 Å²	85	131.9 Å²	131.9	59%	0.594	74%	0.741	S	S	*	*			cis	-170	156.9	-15.1	54.3	0	0	0	0	116
897	T	26.7	Very low	27.7	Very low	140 Å²	140	132.9 Å²	132.9	86%	0.859	75%	0.746	S	S	*	*			trans	64	163.7	153.7	58.4	0	0	0	0	120.1
898	S	26.6	Very low	27.8	Very low	95 Å²	95	130.7 Å²	130.7	66%	0.664	74%	0.742	S	S	*	*			cis	-154.2	148.4	17.1	68.7	0	0	0	0	115.5
899	T	25.5	Very low	27.7	Very low	126 Å²	126	134.7 Å²	134.7	77%	0.773	75%	0.745	S	S	*	*			trans	43.9	150.7	136.9	58.1	0	0	0	0	123.3
900	V	26.2	Very low	27.9	Very low	113 Å²	113	137.3 Å²	137.3	69%	0.685	75%	0.75	S	S	*	*			cis	-163.3	153.7	5.2	110.6	0	0	0	0	112.7
901	Q	26.8	Very low	28	Very low	180 Å²	180	140.5 Å²	140.5	84%	0.841	75%	0.749	S	S	*	*			trans	37	143.6	158	-62	168.2	-9.7	0	0	121.8
902	A	26.7	Very low	28.1	Very low	96 Å²	96	142.4 Å²	142.4	79%	0.793	76%	0.758	S	S	*	*			cis	-171.5	-167.7	-14.4	0	0	0	0	0	106.7
903	S	28.6	Very low	28.2	Very low	100 Å²	100	137.5 Å²	137.5	70%	0.699	75%	0.753	S	S	*	*			cis	-162.4	-179.8	3.8	73.6	0	0	0	0	110.8
904	K	29.4	Very low	28.3	Very low	193 Å²	193	138.5 Å²	138.5	84%	0.839	76%	0.758	S	S	*	*			trans	50.4	94.1	160.1	-73.7	-171.7	175.6	-177.7	0	120
905	I	28.3	Very low	28.4	Very low	178 Å²	178	138.4 Å²	138.4	91%	0.913	76%	0.761	S	S	*	*				-177.5	162.2	103.8	-91.5	165.5	0	0	0	107.8
906	S	26.4	Very low	28.4	Very low	94 Å²	94	138.5 Å²	138.5	66%	0.657	76%	0.761	S	S	*	*			trans	-128.8	155.5	-158.3	59.4	0	0	0	0	116.3
907	Q	29	Very low	28.5	Very low	178 Å²	178	141.4 Å²	141.4	83%	0.832	77%	0.769	S	S	*	*			trans	81.7	138.1	156	-71.7	171.9	-16	0	0	120.4
908	S	29.9	Very low	28.5	Very low	88 Å²	88	145.5 Å²	145.5	62%	0.615	77%	0.768	S	S	*	*			trans	50.9	124.8	158.7	56.3	0	0	0	0	119.8
909	Y	27	Very low	28.5	Very low	206 Å²	206	146.1 Å²	146.1	81%	0.808	77%	0.77	S	S	*	*				-168.3	114.3	98.6	-91	-63.8	0	0	0	110.5
910	N	32.1	Very low	28.7	Very low	167 Å²	167	147.9 Å²	147.9	89%	0.893	78%	0.775	S	S	*	*			trans	-143.6	81.3	172.5	-125	-9	0	0	0	107.6
911	N	30.3	Very low	28.7	Very low	146 Å²	146	146.1 Å²	146.1	78%	0.781	77%	0.772	S	S	*	*			trans	-139	106.7	-176.8	-87.8	-30.7	0	0	0	110.2
912	L	31.1	Very low	28.7	Very low	163 Å²	163	144.1 Å²	144.1	85%	0.853	77%	0.772	S	S	*	*			trans	-115.1	138.9	160.8	-77.7	166.6	0	0	0	107.6	K914	L912-K914 PolarHBondContact O-N 2.82Å
913	P	32.2	Very low	28.6	Very low	106 Å²	106	147 Å²	147	69%	0.688	77%	0.772	S	S	*	*			trans	-69.6	121.6	-172.4	26.9	-33.8	0	0	0	112	V915	P913-V915 PolarHBondContact O-N 3.43Å
914	K	29.5	Very low	28.3	Very low	185 Å²	185	146.9 Å²	146.9	80%	0.804	77%	0.771	S	S	*	*			trans	-79.6	100.2	167.5	-71.8	-177.4	178.3	179.4	0	109.8	L912 H916	L912-K914 PolarHBondContact O-N 2.82Å; K914-H916 PolarHBondContact O-N 3.18Å; K914-H916 PolarHBondContact O-ND1 3.35Å
915	V	29	Very low	28.2	Very low	103 Å²	103	143.2 Å²	143.2	62%	0.624	77%	0.767	S	S	*	*			trans	-59.1	118.4	165.9	178.9	0	0	0	0	108.6	I394 P913 I917	I394-V915 HydrophobicContact CD1-CG2 4.41Å; P913-V915 PolarHBondContact O-N 3.43Å; V915-I917 PolarHBondContact O-N 2.85Å
916	H	27.1	Very low	28	Very low	166 Å²	166	143 Å²	143	77%	0.769	76%	0.762	S	S	*	*			trans	-78.4	89.5	178.5	-93.9	65.4	0	0	0	110.7	K914 R918	K914-H916 PolarHBondContact O-N 3.18Å; K914-H916 PolarHBondContact O-ND1 3.35Å; H916-R918 PolarHBondContact O-N 3.46Å
917	I	29.3	Very low	28.1	Very low	147 Å²	147	148.2 Å²	148.2	75%	0.754	77%	0.767	S	S	*	*			trans	-67.1	114.3	158.5	-58.7	175.5	0	0	0	107	V915 P919	V915-I917 PolarHBondContact O-N 2.85Å; I917-P919 VanDerWaalsContact O-CD 3.25Å; I917-P919 WeakPolarHBondContact O-CD 3.45Å
918	R	27.1	Very low	27.9	Very low	225 Å²	225	146.6 Å²	146.6	85%	0.849	77%	0.769	S	S	*	*			trans	-82	111.3	164.3	-77.2	-177	174.3	168.3	-1.2	108.3	H916 N920	H916-R918 PolarHBondContact O-N 3.46Å; R918-N920 PolarHBondContact O-N 3.19Å
919	P	27.9	Very low	27.6	Very low	108 Å²	108	146.7 Å²	146.7	70%	0.701	76%	0.763	S	S	*	*			trans	-67.7	129	165.9	28.9	-32.7	0	0	0	108.8	I917 A921	I917-P919 VanDerWaalsContact O-CD 3.25Å; I917-P919 WeakPolarHBondContact O-CD 3.45Å; P919-A921 PolarHBondContact O-N 2.98Å
920	N	28	Very low	27.5	Very low	163 Å²	163	141 Å²	141	87%	0.872	76%	0.758	S	S	*	*			trans	-72.8	80.3	171.1	-83.5	-22.8	0	0	0	109.7	R918 V922	R918-N920 PolarHBondContact O-N 3.19Å; N920-V922 PolarHBondContact O-N 3.03Å
921	A	26.7	Very low	27.3	Very low	76 Å²	76	141.5 Å²	141.5	63%	0.628	75%	0.752	S	S	*	*			trans	-68.4	119.9	173.1	0	0	0	0	0	110	P919 I923	P919-A921 PolarHBondContact O-N 2.98Å; A921-I923 PolarHBondContact O-N 3.35Å
922	V	26.5	Very low	27.2	Very low	138 Å²	138	140 Å²	140	84%	0.836	75%	0.751	S	S	*	*			trans	-72.2	97.6	173.8	178.4	0	0	0	0	108.8	N920 C924	N920-V922 PolarHBondContact O-N 3.03Å; V922-C924 PolarHBondContact O-N 2.88Å; V922-C924 VanDerWaalsContact O-N 3.15Å
923	I	24.5	Very low	27	Very low	156 Å²	156	139.7 Å²	139.7	80%	0.8	75%	0.745	S	S	*	*			trans	-80.2	94.8	173.4	-59	-179.8	0	0	0	108.6	A921	A921-I923 PolarHBondContact O-N 3.35Å
924	C	23.6	Very low	26.7	Very low	99 Å²	99	143.3 Å²	143.3	67%	0.669	75%	0.752	S	S	*	*			trans	-84.5	123.6	167.9	-166.6	0	0	0	0	109.4	V922 Q926	V922-C924 PolarHBondContact O-N 2.88Å; V922-C924 VanDerWaalsContact O-N 3.15Å; C924-Q926 PolarHBondContact O-N 3.1Å
925	P	26.3	Very low	26.4	Very low	116 Å²	116	141.1 Å²	141.1	75%	0.753	75%	0.748	S	S	*	*			trans	-85.3	98.5	-175.1	32.3	-33.7	0	0	0	112.1
926	Q	24	Very low	26.2	Very low	174 Å²	174	142 Å²	142	81%	0.813	75%	0.75	S	S	*	*			trans	-127.2	74.5	168.8	-74.4	-163.9	-31.3	0	0	112.9	C924	C924-Q926 PolarHBondContact O-N 3.1Å
927	R	28.4	Very low	26.1	Very low	203 Å²	203	141.8 Å²	141.8	77%	0.766	75%	0.753	S	S	*	*				16.8	114.1	123.8	-173.4	-176.6	-170.4	169.1	1.3	116.4	D929	R927-D929 WeakPolarHBondContact CD-OD1 3.39Å; R927-D929 WeakPolarHBondContact CG-OD1 3.27Å; R927-D929 IonicContact CZ-OD1 3.6Å; R927-D929 IonicContact CZ-OD2 3.33Å; R927-D929 VanDerWaalsContact NE-CG 3.26Å; R927-D929 IonicContact NE-OD1 2.73Å; R927-D929 PolarHBondContact NE-OD1 3Å; R927-D929 IonicContact NE-OD2 3.14Å; R927-D929 PolarHBondContact NE-OD2 3.24Å; R927-D929 VanDerWaalsContact NE-OD2 3.14Å; R927-D929 IonicContact NH2-OD1 3.57Å; R927-D929 IonicContact NH2-OD2 2.75Å; R927-D929 PolarHBondContact NH2-OD2 2.97Å
928	V	25.7	Very low	25.8	Very low	144 Å²	144	141.6 Å²	141.6	87%	0.873	75%	0.749	S	S	*	*			trans	-116.2	140.3	148.4	179.1	0	0	0	0	106.4
929	D	24	Very low	25.9	Very low	90 Å²	90	136.5 Å²	136.5	48%	0.481	74%	0.743	S	S	.	*			trans	-97.8	-164.5	-166	-101.1	24.7	0	0	0	110.3	R927	R927-D929 WeakPolarHBondContact CD-OD1 3.39Å; R927-D929 WeakPolarHBondContact CG-OD1 3.27Å; R927-D929 IonicContact CZ-OD1 3.6Å; R927-D929 IonicContact CZ-OD2 3.33Å; R927-D929 VanDerWaalsContact NE-CG 3.26Å; R927-D929 IonicContact NE-OD1 2.73Å; R927-D929 PolarHBondContact NE-OD1 3Å; R927-D929 IonicContact NE-OD2 3.14Å; R927-D929 PolarHBondContact NE-OD2 3.24Å; R927-D929 VanDerWaalsContact NE-OD2 3.14Å; R927-D929 IonicContact NH2-OD1 3.57Å; R927-D929 IonicContact NH2-OD2 2.75Å; R927-D929 PolarHBondContact NH2-OD2 2.97Å
930	A	25.3	Very low	25.7	Very low	86 Å²	86	137.1 Å²	137.1	71%	0.711	75%	0.747	S	S	*	*			cis	-164.8	-110.5	39.8	0	0	0	0	0	114.2
931	F	27.6	Very low	25.5	Very low	177 Å²	177	140.4 Å²	140.4	78%	0.776	75%	0.747	S	S	*	*			trans	-132.7	165.8	-159.2	-65.9	-86.1	0	0	0	113.1
932	P	28.4	Very low	25.4	Very low	114 Å²	114	145.7 Å²	145.7	74%	0.74	76%	0.759	S	S	*	*				-128.7	148.4	94.6	37.3	-31.3	0	0	0	115.4
933	H	26.6	Very low	25.4	Very low	158 Å²	158	145 Å²	145	73%	0.731	76%	0.755	S	S	*	*			trans	1	127.3	158.5	-46.5	-78.5	0	0	0	119.7
934	H	24.9	Very low	25.4	Very low	181 Å²	181	144.3 Å²	144.3	84%	0.838	76%	0.758	S	S	*	*				-154.3	160.2	90	-124.1	-95.7	0	0	0	113.3
935	L	23.7	Very low	25.6	Very low	139 Å²	139	143.7 Å²	143.7	73%	0.728	77%	0.769	S	S	*	*			trans	-76.9	142.6	168.1	-72.6	70.6	0	0	0	108.9
936	D	24.1	Very low	25.7	Very low	122 Å²	122	145.7 Å²	145.7	65%	0.652	77%	0.773	S	S	*	*				-164.1	130.7	101.9	-114.1	-39.5	0	0	0	112.7	Q938	D936-Q938 HydrophobicContact CB-CG 4.5Å; D936-Q938 WeakPolarHBondContact OD1-CG 3.21Å; D936-Q938 PolarHBondContact OD1-NE2 3.33Å; D936-Q938 PolarHBondContact OD2-NE2 3.31Å; D936-Q938 VanDerWaalsContact OD2-NE2 3.11Å
937	L	25	Very low	27	Very low	162 Å²	162	142.4 Å²	142.4	85%	0.848	77%	0.767	S	S	*	*			trans	-114.4	71.8	171.5	-149.3	-178.4	0	0	0	107.5
938	Q	23.6	Very low	27	Very low	143 Å²	143	139.4 Å²	139.4	67%	0.668	77%	0.766	S	S	*	*			trans	-106.7	96.5	-178.3	-70.3	-168.8	43	0	0	111.9	D936 P940	D936-Q938 HydrophobicContact CB-CG 4.5Å; D936-Q938 WeakPolarHBondContact OD1-CG 3.21Å; D936-Q938 PolarHBondContact OD1-NE2 3.33Å; D936-Q938 PolarHBondContact OD2-NE2 3.31Å; D936-Q938 VanDerWaalsContact OD2-NE2 3.11Å; Q938-P940 WeakPolarHBondContact O-CD 3.39Å
939	V	28.6	Very low	27.1	Very low	118 Å²	118	143.3 Å²	143.3	72%	0.715	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-51.5	123.4	147.3	175.7	0	0	0	0	107.9	R941	V939-R941 PolarHBondContact O-N 2.83Å
940	P	25.2	Very low	27.2	Very low	121 Å²	121	145 Å²	145	79%	0.786	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-61.3	122.7	173.9	-24.5	35.6	0	0	0	110.9	Q938	Q938-P940 WeakPolarHBondContact O-CD 3.39Å
941	R	22.1	Very low	27.2	Very low	232 Å²	232	150.1 Å²	150.1	88%	0.875	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-66.6	161.9	171.9	-85.4	175.1	152.8	138.3	-9.2	111.8	V939	V939-R941 PolarHBondContact O-N 2.83Å
942	E	25.1	Very low	28	Very low	187 Å²	187	146.6 Å²	146.6	87%	0.874	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-51.4	148.1	157.1	-49.8	167.7	118.2	0	0	111.8
943	T	25.8	Very low	28.2	Very low	124 Å²	124	148.4 Å²	148.4	76%	0.761	78%	0.782	S	S	*	*			trans	-157.9	111.6	150.6	-6.3	0	0	0	0	113.2
944	T	25.8	Very low	28.3	Very low	140 Å²	140	147.9 Å²	147.9	86%	0.859	78%	0.778	S	S	*	*			trans	52.7	115.6	144.8	55.1	0	0	0	0	121.2
945	G	26.8	Very low	28.4	Very low	87 Å²	87	146.5 Å²	146.5	90%	0.897	78%	0.776	S	S	*	*			trans	-174.7	78.3	165.9	0	0	0	0	0	114.9
946	N	29.9	Very low	28.7	Very low	157 Å²	157	143.5 Å²	143.5	84%	0.84	77%	0.771	S	S	*	*			trans	-87.7	168.3	175.1	-140.9	20.3	0	0	0	110.2
947	P	50.2	Low	29.2	Very low	105 Å²	105	146 Å²	146	68%	0.682	78%	0.776	S	S	*	*			cis	-136.5	169.2	-1	43.3	-27.5	0	0	0	116.5
948	D	28.1	Very low	29.5	Very low	141 Å²	141	144.1 Å²	144.1	75%	0.754	77%	0.767	S	S	*	*				-168.2	176.9	113.7	-134.9	-40.7	0	0	0	113.8
949	R	28.9	Very low	29.9	Very low	226 Å²	226	142 Å²	142	85%	0.853	77%	0.774	S	S	*	*			trans	-58.1	157.4	179	-67.8	160.4	155	-171	-5.4	113.4
950	C	25.1	Very low	29.9	Very low	125 Å²	125	143.4 Å²	143.4	85%	0.845	78%	0.777	S	S	*	*			cis	-159.3	-175.1	32.3	-142.8	0	0	0	0	114.8
951	K	26.3	Very low	30.2	Very low	194 Å²	194	141.2 Å²	141.2	84%	0.843	77%	0.769	S	S	*	*			trans	-93.4	177.4	178.9	-83.6	-172.6	177.3	-175.9	0	112.1
952	P	44.1	Very low	30.5	Very low	103 Å²	103	137.5 Å²	137.5	67%	0.669	77%	0.767	S	S	*	*			cis	-145.1	160.5	17.7	40.3	-19.4	0	0	0	121
953	E	31.8	Very low	30.8	Very low	151 Å²	151	131.9 Å²	131.9	71%	0.706	75%	0.753	S	S	*	*			trans	67.8	154.8	142.3	-73.3	-175.6	166.9	0	0	121.2
954	K	29.3	Very low	30.9	Very low	148 Å²	148	133.7 Å²	133.7	64%	0.643	76%	0.757	S	S	*	*			cis	-159	145.1	6.8	-129.9	161.2	-174.1	143.9	0	112.9
955	L	27	Very low	31.2	Very low	152 Å²	152	130.3 Å²	130.3	80%	0.796	74%	0.744	S	S	*	*			trans	47.3	165.4	149.5	-65.5	163.1	0	0	0	122
956	A	30.6	Very low	31.2	Very low	76 Å²	76	134.2 Å²	134.2	63%	0.628	74%	0.744	S	S	*	*				166.6	165.3	-60.7	0	0	0	0	0	110.6
957	K	34.1	Very low	31.1	Very low	174 Å²	174	130.2 Å²	130.2	76%	0.757	74%	0.74	S	S	*	*			trans	76.3	158.4	164	-58.9	-175.5	153.7	-77.5	0	118
958	D	30.2	Very low	30.1	Very low	122 Å²	122	130.4 Å²	130.4	65%	0.652	74%	0.744	S	S	*	*			cis	-168.9	156.1	-25.5	-95.3	-20.1	0	0	0	109.7
959	A	32.9	Very low	30.1	Very low	98 Å²	98	131.3 Å²	131.3	81%	0.81	75%	0.748	S	S	*	*			trans	64.5	171.3	143.8	0	0	0	0	0	121.5
960	N	28.6	Very low	30.2	Very low	149 Å²	149	128.4 Å²	128.4	80%	0.797	75%	0.749	S	S	*	*			cis	-178.7	151.9	-41.1	-173.2	18.9	0	0	0	109.2
961	A	30.9	Very low	30.5	Very low	75 Å²	75	126.6 Å²	126.6	62%	0.62	74%	0.742	S	S	*	*			trans	66.3	161.3	150.7	0	0	0	0	0	119.7
962	N	29.3	Very low	30.6	Very low	154 Å²	154	122 Å²	122	82%	0.824	74%	0.735	S	S	*	*			cis	-162.2	159.1	-25.4	-142.2	-10.7	0	0	0	113.5
963	A	32	Very low	29.9	Very low	69 Å²	69	124.2 Å²	124.2	57%	0.57	74%	0.741	S	S	*	*			trans	67.8	156.4	136.7	0	0	0	0	0	124.5
964	N	27.9	Very low	29.7	Very low	161 Å²	161	120 Å²	120	86%	0.861	74%	0.738	S	S	*	*			trans	80.5	143.3	154.7	-66.3	-14.9	0	0	0	120.6
965	A	30.4	Very low	29.7	Very low	70 Å²	70	122.9 Å²	122.9	58%	0.579	75%	0.746	S	S	*	*			cis	-170.2	155	-20.1	0	0	0	0	0	112.1
966	N	27.9	Very low	29.7	Very low	168 Å²	168	122.9 Å²	122.9	90%	0.898	75%	0.747	S	S	*	*			trans	60.4	140.5	152.1	-58.7	-16.7	0	0	0	120.5
967	G	27.9	Very low	29.6	Very low	74 Å²	74	122.3 Å²	122.3	76%	0.763	75%	0.749	S	S	*	*			trans	-168.5	6.6	-178.5	0	0	0	0	0	122.5
968	S	29.3	Very low	29.3	Very low	109 Å²	109	123.3 Å²	123.3	76%	0.762	76%	0.756	S	S	*	*			trans	66.8	111.6	174	-159.4	0	0	0	0	116.2
969	L	27.7	Very low	29.4	Very low	160 Å²	160	126.5 Å²	126.5	84%	0.838	77%	0.767	S	S	*	*				71.9	115.1	68	-74.9	161	0	0	0	115.8
970	L	32	Very low	29.3	Very low	165 Å²	165	126.7 Å²	126.7	86%	0.864	76%	0.762	S	S	*	*			trans	167.6	105.5	131.9	-88.1	167.4	0	0	0	106.7
971	A	30.8	Very low	29.2	Very low	86 Å²	86	125.9 Å²	125.9	71%	0.711	76%	0.758	S	S	*	*				91.6	138	84.2	0	0	0	0	0	112.1
972	S	28.8	Very low	29	Very low	97 Å²	97	130.4 Å²	130.4	68%	0.678	76%	0.764	S	S	*	*			cis	-162.5	166.9	-4.3	47.1	0	0	0	0	112
973	D	28.6	Very low	28.8	Very low	150 Å²	150	129.7 Å²	129.7	80%	0.802	76%	0.758	S	S	*	*			trans	-7.5	156.5	144	-39.2	-69	0	0	0	118
974	G	27	Very low	28.4	Very low	63 Å²	63	131.6 Å²	131.6	65%	0.649	77%	0.767	S	S	*	*			cis	147.6	-161.7	13.3	0	0	0	0	0	110.1
975	Y	29.5	Very low	29.7	Very low	208 Å²	208	128.8 Å²	128.8	82%	0.816	76%	0.758	S	S	*	*			trans	71.1	139.8	179.6	-66	-100.8	0	0	0	114.2
976	N	27.8	Very low	29.5	Very low	152 Å²	152	132.1 Å²	132.1	81%	0.813	77%	0.766	S	S	*	*				63.4	142.2	50.4	-53.4	-24.8	0	0	0	112
977	G	28.8	Very low	29.4	Very low	64 Å²	64	130.3 Å²	130.3	66%	0.66	76%	0.755	S	S	*	*			cis	-138.9	-174	-3.7	0	0	0	0	0	109.8
978	E	27.9	Very low	29.3	Very low	196 Å²	196	133.5 Å²	133.5	92%	0.916	75%	0.75	S	S	*	*				66.5	155.3	88.4	-67.1	-153.8	128.1	0	0	116.1
979	E	31.2	Very low	29.1	Very low	189 Å²	189	138.1 Å²	138.1	88%	0.883	75%	0.751	S	S	*	*			trans	66.1	140.3	-172.3	-53.2	-166.9	146.2	0	0	115.6
980	S	31.1	Very low	29	Very low	101 Å²	101	140.1 Å²	140.1	71%	0.706	75%	0.753	S	S	*	*			cis	-142	130.2	-11.7	52.6	0	0	0	0	107.6
981	L	26.4	Very low	28.6	Very low	133 Å²	133	138.9 Å²	138.9	70%	0.696	75%	0.753	S	S	*	*				57.6	129.1	70.3	-53.8	167.9	0	0	0	111.1
982	F	26	Very low	28.3	Very low	170 Å²	170	137.8 Å²	137.8	75%	0.746	75%	0.75	S	S	*	*			cis	-147	151.1	40.4	-98.2	-93.9	0	0	0	115
983	I	25	Very low	28.2	Very low	139 Å²	139	142.8 Å²	142.8	71%	0.713	76%	0.762	S	S	*	*			trans	35.9	118.5	140.7	-69.1	-179.5	0	0	0	119.6
984	S	23.8	Very low	28.1	Very low	109 Å²	109	140.4 Å²	140.4	76%	0.762	76%	0.757	S	S	*	*				44.4	164.1	105.6	-98.3	0	0	0	0	121.7
985	P	55.8	Low	29	Very low	102 Å²	102	142.7 Å²	142.7	66%	0.662	76%	0.761	S	S	*	*			trans	-103.6	-169.3	-146.2	41.8	-39.9	0	0	0	116
986	D	26.3	Very low	29	Very low	139 Å²	139	141.2 Å²	141.2	74%	0.743	76%	0.759	S	S	*	*			trans	115.4	134.7	144.4	-78	-29.5	0	0	0	121.2
987	L	25.6	Very low	28.9	Very low	130 Å²	130	140.9 Å²	140.9	68%	0.681	76%	0.757	S	S	*	*			trans	57.9	112	146.6	-89.3	73.3	0	0	0	122.9
988	Q	26.7	Very low	28.9	Very low	141 Å²	141	141.7 Å²	141.7	66%	0.659	76%	0.758	S	S	*	*				89.7	141.4	120	-88.3	-172.3	42.4	0	0	123.2
989	R	25.5	Very low	29.8	Very low	207 Å²	207	137.4 Å²	137.4	78%	0.781	75%	0.747	S	S	*	*			trans	83.8	117.8	154.4	-70.3	162.9	-168.8	-143	-0.6	119.9
990	F	24.5	Very low	29.8	Very low	201 Å²	201	133 Å²	133	88%	0.882	74%	0.737	S	S	*	*				9.7	128.5	125.4	-68.7	-94.6	0	0	0	115.7
991	V	24.8	Very low	29.8	Very low	140 Å²	140	134.7 Å²	134.7	85%	0.848	74%	0.744	S	S	*	*				-147.5	152.6	60	158.7	0	0	0	0	110.1
992	G	24	Very low	29.9	Very low	63 Å²	63	132.4 Å²	132.4	65%	0.649	75%	0.752	S	S	*	*			trans	-107.3	163.5	178.9	0	0	0	0	0	114.2
993	Q	26.4	Very low	30	Very low	201 Å²	201	128.3 Å²	128.3	94%	0.939	76%	0.757	S	S	*	*			trans	-157.6	150.6	156.1	-110.1	168	20.4	0	0	109.4
994	S	27.1	Very low	30.4	Very low	100 Å²	100	133 Å²	133	70%	0.699	77%	0.766	S	S	*	*			trans	-89.9	166.8	167.3	61.9	0	0	0	0	109.7
995	P	44.5	Very low	30.7	Very low	112 Å²	112	136 Å²	136	73%	0.727	77%	0.772	S	S	*	*				-144.1	171.5	83.9	36.2	-18.2	0	0	0	115.8
996	F	29.4	Very low	29.5	Very low	176 Å²	176	142 Å²	142	77%	0.772	78%	0.781	S	S	*	*			trans	4	153.1	140.1	-63.8	-92.7	0	0	0	119.7
997	D	26.9	Very low	29.8	Very low	145 Å²	145	146 Å²	146	78%	0.775	79%	0.786	S	S	*	*			cis	-152.9	177	34.2	-134.9	-35	0	0	0	116.3
998	A	27.6	Very low	30	Very low	82 Å²	82	145.8 Å²	145.8	68%	0.678	79%	0.785	S	S	*	*			trans	-117.9	-149.5	174.9	0	0	0	0	0	109
999	P	48.1	Very low	30.1	Very low	106 Å²	106	144.3 Å²	144.3	69%	0.688	79%	0.786	S	S	*	*			cis	-142.5	-169.5	-8	41.4	-20.8	0	0	0	116.5
1000	S	31.6	Very low	30.2	Very low	97 Å²	97	144.3 Å²	144.3	68%	0.678	79%	0.792	S	S	*	*			trans	84.2	148.8	139.2	78.6	0	0	0	0	120.1
1001	T	30.3	Very low	30.3	Very low	136 Å²	136	138 Å²	138	83%	0.834	78%	0.784	S	S	*	*			cis	-167.8	150	-13.2	19.1	0	0	0	0	112.7
1002	G	28.1	Very low	30.6	Very low	85 Å²	85	136.4 Å²	136.4	88%	0.876	78%	0.779	S	S	*	*			trans	80.7	154.6	149.1	0	0	0	0	0	118.1
1003	G	28.6	Very low	30.9	Very low	83 Å²	83	138.5 Å²	138.5	86%	0.856	78%	0.784	S	S	*	*			cis	-167.7	169.2	-1	0	0	0	0	0	113.1
1004	R	32.7	Very low	31.1	Very low	239 Å²	239	140.1 Å²	140.1	90%	0.902	78%	0.783	S	S	*	*			trans	-84.6	162	-175.9	-64.4	171.3	168.2	171.3	-5.5	113.5
1005	I	29.9	Very low	31.3	Very low	170 Å²	170	140.2 Å²	140.2	87%	0.872	78%	0.783	S	S	*	*				178.8	157.4	118.2	-92.8	157.1	0	0	0	112.9
1006	R	30.9	Very low	30.8	Very low	229 Å²	229	145 Å²	145	86%	0.864	79%	0.787	S	S	*	*			trans	-119.3	140.6	169.2	-82.3	178.8	162.2	-177.5	-5.4	110.3
1007	R	33.1	Very low	31.1	Very low	222 Å²	222	141.5 Å²	141.5	84%	0.838	78%	0.776	S	S	*	*				151.7	132	124.6	-86.8	-171.7	175.9	125.3	-6.1	116.2
1008	N	28.8	Very low	31.4	Very low	126 Å²	126	141.5 Å²	141.5	67%	0.674	77%	0.774	S	S	*	*			trans	61.8	134	130.5	-63.6	28	0	0	0	125.6
1009	T	30.1	Very low	31.3	Very low	111 Å²	111	147.8 Å²	147.8	68%	0.681	79%	0.785	S	S	*	*			trans	89.4	145.8	130.8	44.4	0	0	0	0	124.1
1010	F	27.5	Very low	30.4	Very low	206 Å²	206	151.2 Å²	151.2	90%	0.904	79%	0.79	S	S	*	*			trans	70.7	145.4	174.5	-58.7	-79.1	0	0	0	117.2
1011	G	26.7	Very low	30.3	Very low	68 Å²	68	152.1 Å²	152.1	70%	0.701	79%	0.792	S	S	*	*			cis	169.4	-178.7	-7.2	0	0	0	0	0	114.1
1012	S	29.6	Very low	30.3	Very low	107 Å²	107	149.3 Å²	149.3	75%	0.748	78%	0.782	S	S	*	*			trans	78.9	94.9	168.5	-161.4	0	0	0	0	121.2
1013	S	31.6	Very low	30.3	Very low	107 Å²	107	154.5 Å²	154.5	75%	0.748	78%	0.784	S	S	*	*				20.7	140.6	113	-41.3	0	0	0	0	122
1014	Y	30.1	Very low	30.5	Very low	235 Å²	235	158.9 Å²	158.9	92%	0.922	79%	0.787	S	S	*	*				-147.5	173.5	123.8	-114.3	-81.1	0	0	0	110.5
1015	S	32.4	Very low	30.4	Very low	102 Å²	102	150.7 Å²	150.7	71%	0.713	78%	0.778	S	S	*	*			trans	-152.4	-178.5	-153.2	-171.1	0	0	0	0	114.4
1016	R	33.5	Very low	30.4	Very low	213 Å²	213	148.5 Å²	148.5	80%	0.804	78%	0.777	S	S	*	*			trans	90.4	159.1	164.5	-60.5	-165.8	138.5	136.4	7	118.9
1017	D	34.6	Very low	30.3	Very low	102 Å²	102	141.5 Å²	141.5	55%	0.545	77%	0.768	S	S	.	*			cis	-173.2	162.5	-25.1	-90.9	-14	0	0	0	105.2
1018	M	32.8	Very low	30.2	Very low	146 Å²	146	138.4 Å²	138.4	72%	0.719	76%	0.763	S	S	*	*			cis	-172.1	152	-25.9	-101.1	-170.8	-171	0	0	106.3
1019	K	26	Very low	30	Very low	213 Å²	213	140.5 Å²	140.5	93%	0.926	77%	0.769	S	S	*	*			trans	-159.8	149.5	145.8	-117.1	168.6	-171.7	-179.6	0	115.8
1020	F	29.6	Very low	29.8	Very low	178 Å²	178	145 Å²	145	78%	0.781	78%	0.78	S	S	*	*			trans	-86.5	-179.4	-178.1	-89.3	-113.8	0	0	0	111.3
1021	T	29.8	Very low	30.7	Very low	117 Å²	117	140.6 Å²	140.6	72%	0.718	77%	0.771	S	S	*	*			cis	-165	154.8	31.9	-19.3	0	0	0	0	112.8
1022	A	30.5	Very low	30.8	Very low	77 Å²	77	142 Å²	142	64%	0.636	77%	0.77	S	S	*	*			trans	60.5	151.8	137.3	0	0	0	0	0	121
1023	E	27.1	Very low	30.8	Very low	194 Å²	194	143 Å²	143	91%	0.907	78%	0.778	S	S	*	*			cis	-157	171.5	-9.8	-123	162.9	-145.7	0	0	111.7
1024	N	34.3	Very low	30.6	Very low	174 Å²	174	141.4 Å²	141.4	93%	0.93	78%	0.778	S	S	*	*			trans	-157.9	145.9	177.8	-160.6	4	0	0	0	112
1025	G	29.4	Very low	30.4	Very low	68 Å²	68	137.7 Å²	137.7	70%	0.701	77%	0.772	S	S	*	*			trans	134.6	165.1	174	0	0	0	0	0	115
1026	S	30.8	Very low	30.2	Very low	123 Å²	123	140.4 Å²	140.4	86%	0.86	78%	0.777	S	S	*	*			cis	-168.7	175.4	-11.7	68.5	0	0	0	0	108.6
1027	A	28.9	Very low	29.9	Very low	82 Å²	82	135 Å²	135	68%	0.678	77%	0.772	S	S	*	*			cis	-137.1	-115.3	1.7	0	0	0	0	0	110.2
1028	H	30.3	Very low	29.8	Very low	158 Å²	158	137.5 Å²	137.5	73%	0.731	78%	0.784	S	S	*	*			cis	-163.7	156.7	-6.6	-146.4	24.5	0	0	0	112.8
1029	Q	25.5	Very low	29.8	Very low	169 Å²	169	136.5 Å²	136.5	79%	0.79	79%	0.789	S	S	*	*			trans	65.9	156.3	160	-71.7	178.1	-30.6	0	0	123
1030	F	25.3	Very low	30.4	Very low	207 Å²	207	131.4 Å²	131.4	91%	0.908	78%	0.777	S	S	*	*			trans	-111.9	-168.5	-172.2	-73.4	-97.6	0	0	0	110.5
1031	P	46.2	Very low	30.3	Very low	112 Å²	112	129.4 Å²	129.4	73%	0.727	78%	0.78	S	S	*	*			cis	-143.9	179.1	2.7	38.8	-15.7	0	0	0	119.9
1032	S	28.1	Very low	30.4	Very low	98 Å²	98	129.8 Å²	129.8	69%	0.685	79%	0.785	S	S	*	*			trans	73.6	116.8	137.2	60.5	0	0	0	0	126.9
1033	S	29.7	Very low	30.4	Very low	129 Å²	129	135.9 Å²	135.9	90%	0.902	80%	0.797	S	S	*	*				93.7	133.1	119.9	-63.8	0	0	0	0	125.7
1034	G	26.9	Very low	30.5	Very low	73 Å²	73	136 Å²	136	75%	0.753	80%	0.797	S	S	*	*			trans	105.3	151.3	161.5	0	0	0	0	0	116
1035	I	27.8	Very low	30.3	Very low	157 Å²	157	136.2 Å²	136.2	81%	0.805	79%	0.793	S	S	*	*			cis	-157.1	124.9	-6.9	-56.2	-175.2	0	0	0	104.9
1036	I	28.1	Very low	30.4	Very low	158 Å²	158	144.6 Å²	144.6	81%	0.81	80%	0.804	S	S	*	*				62.1	137.7	79	-53.5	171.4	0	0	0	115.8
1037	S	27.1	Very low	30.4	Very low	99 Å²	99	142.2 Å²	142.2	69%	0.692	79%	0.791	S	S	*	*				-175.2	144.2	-54.5	-91.9	0	0	0	0	113.1
1038	L	31.3	Very low	30.7	Very low	155 Å²	155	147.1 Å²	147.1	81%	0.812	80%	0.8	S	S	*	*			trans	71	149.2	160.9	-71.9	172.1	0	0	0	118.9
1039	P	33.5	Very low	30.9	Very low	126 Å²	126	148.5 Å²	148.5	82%	0.818	80%	0.804	S	S	*	*				-132.2	173.3	69.3	37.4	-21.2	0	0	0	117.2
1040	P	38	Very low	31.4	Very low	105 Å²	105	146.6 Å²	146.6	68%	0.682	81%	0.805	S	S	*	*			trans	-126	164.7	-165.6	42.3	-28.7	0	0	0	117.5
1041	T	28	Very low	32.1	Very low	137 Å²	137	144.1 Å²	144.1	84%	0.84	80%	0.799	S	S	*	*			trans	-142.7	166.2	159.5	59.2	0	0	0	0	109.3
1042	P	32.8	Very low	31.5	Very low	125 Å²	125	144 Å²	144	81%	0.812	80%	0.801	S	S	*	*				-107.7	162.4	-98.8	5.5	17.7	0	0	0	115
1043	F	28.6	Very low	31.9	Very low	205 Å²	205	144.1 Å²	144.1	90%	0.899	80%	0.801	S	S	*	*			trans	-69.2	149	170.1	-90.4	-111.7	0	0	0	112.5
1044	Q	30.3	Very low	32.5	Very low	195 Å²	195	143.7 Å²	143.7	91%	0.911	80%	0.795	S	S	*	*			trans	-132.5	135.5	149.3	-157.4	167.8	16.7	0	0	108.4
1045	E	29	Very low	33.2	Very low	180 Å²	180	147 Å²	147	84%	0.841	80%	0.795	S	S	*	*			trans	-75.3	134	-160.2	-65	176.1	109.8	0	0	113.9	A1047	E1045-A1047 PolarHBondContact O-N 3.21Å; E1045-A1047 VanDerWaalsContact O-N 3.16Å
1046	R	33.2	Very low	33.8	Very low	244 Å²	244	143 Å²	143	92%	0.921	79%	0.793	S	S	*	*			trans	-84.3	85.9	170.1	-167.5	179.1	-165.2	165.2	6	109.7	Q1048	R1046-Q1048 PolarHBondContact O-N 3.27Å
1047	A	30.8	Very low	34.4	Very low	72 Å²	72	142.9 Å²	142.9	60%	0.595	79%	0.793	S	S	*	*			trans	-52	118.2	-179.8	0	0	0	0	0	112.4	E1045 F1049	E1045-A1047 PolarHBondContact O-N 3.21Å; E1045-A1047 VanDerWaalsContact O-N 3.16Å; A1047-F1049 HydrophobicContact CB-CD2 4.22Å; A1047-F1049 HydrophobicContact CB-CE2 3.9Å; A1047-F1049 PolarHBondContact O-N 3.09Å
1048	Q	34.3	Very low	34.9	Very low	186 Å²	186	143.1 Å²	143.1	87%	0.869	80%	0.801	S	S	*	*			trans	-80.6	105.2	169.4	-73.2	-175.2	-20.6	0	0	109.1	R1046 T1050	R1046-Q1048 PolarHBondContact O-N 3.27Å; Q1048-T1050 PolarHBondContact O-N 3.33Å
1049	F	35.5	Very low	35.4	Very low	186 Å²	186	144.3 Å²	144.3	82%	0.816	80%	0.802	S	S	*	*			trans	-82.7	94.3	172.9	-83.5	-84.8	0	0	0	111.2	A1047 I1051	A1047-F1049 HydrophobicContact CB-CD2 4.22Å; A1047-F1049 HydrophobicContact CB-CE2 3.9Å; A1047-F1049 PolarHBondContact O-N 3.09Å; F1049-I1051 PolarHBondContact O-N 3.47Å
1050	T	34.9	Very low	36.1	Very low	130 Å²	130	142.1 Å²	142.1	80%	0.798	80%	0.803	S	S	*	*			trans	-70.6	116.8	162	23.6	0	0	0	0	110	Q1048 S1052	Q1048-T1050 PolarHBondContact O-N 3.33Å; T1050-S1052 PolarHBondContact O-N 3.39Å
1051	I	40.7	Very low	36.8	Very low	154 Å²	154	142.5 Å²	142.5	79%	0.79	80%	0.798	S	S	*	*			trans	-82.8	104.8	174	-58.9	176	0	0	0	108.7	F1049	F1049-I1051 PolarHBondContact O-N 3.47Å
1052	S	33.8	Very low	38.5	Very low	111 Å²	111	138.2 Å²	138.2	78%	0.776	77%	0.774	S	S	*	*			trans	-100.4	105.1	170.1	56.8	0	0	0	0	110.6	T1050	T1050-S1052 PolarHBondContact O-N 3.39Å
1053	C	36.1	Very low	39.9	Very low	99 Å²	99	140.3 Å²	140.3	67%	0.669	77%	0.773	S	S	*	*			trans	-84.4	135	172.4	-62.3	0	0	0	0	110.6	D1055	C1053-D1055 PolarHBondContact O-N 3.14Å
1054	P	41.3	Very low	41.1	Very low	121 Å²	121	137.5 Å²	137.5	79%	0.786	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	-34.6	-180	-24.4	35.1	0	0	0	114.6	G1056	P1054-G1056 PolarHBondContact O-N 2.83Å
1055	D	42.5	Very low	42.5	Very low	141 Å²	141	131.7 Å²	131.7	75%	0.754	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	22.2	-159.1	-52	-58.4	0	0	0	115.3	C1053 L1057	C1053-D1055 PolarHBondContact O-N 3.14Å; D1055-L1057 PolarHBondContact O-N 3.08Å
1056	G	40.5	Very low	44.7	Very low	74 Å²	74	127.2 Å²	127.2	76%	0.763	72%	0.719	S	S	*	*			trans	66.8	-3.3	161.1	0	0	0	0	0	119.1	P1054	P1054-G1056 PolarHBondContact O-N 2.83Å
1057	L	39.4	Very low	46.8	Very low	156 Å²	156	121.8 Å²	121.8	82%	0.817	70%	0.698	S	S	*	*			trans	-105.3	92.4	-176.9	-68.9	176.2	0	0	0	112.7	D1055 H1059	D1055-L1057 PolarHBondContact O-N 3.08Å; L1057-H1059 PolarHBondContact O-N 2.8Å
1058	A	38.4	Very low	48.4	Very low	104 Å²	104	123.3 Å²	123.3	86%	0.86	70%	0.696	S	S	*	*			trans	-85.8	97.1	174	0	0	0	0	0	111.8
1059	H	42.4	Very low	50.1	Low	179 Å²	179	120.4 Å²	120.4	83%	0.829	68%	0.682	S	S	*	*			trans	-82.9	119.3	160.9	-89.6	-87.2	0	0	0	109.8	L1057 L1061	L1057-H1059 PolarHBondContact O-N 2.8Å; H1059-L1061 PolarHBondContact O-N 3.4Å
1060	G	48.6	Very low	52.2	Low	81 Å²	81	116 Å²	116	84%	0.835	66%	0.664	S	S	*	*			trans	-66.8	113.8	-176.3	0	0	0	0	0	112.7
1061	L	50.9	Low	54.3	Low	112 Å²	112	113.1 Å²	113.1	59%	0.586	64%	0.643	S	S	*	*			trans	-69.1	133.1	161.7	-66.5	171.5	0	0	0	108.6	H1059 N1065 I1066	H1059-L1061 PolarHBondContact O-N 3.4Å; L1061-N1065 HydrophobicContact CB-CB 4.32Å; L1061-N1065 HydrophobicContact CD2-CB 4.42Å; L1061-I1066 HydrophobicContact CB-CG1 4.5Å
1062	S	64	Low	56.1	Low	47 Å²	47	109.3 Å²	109.3	33%	0.329	63%	0.627	S	S	.	*			trans	-65.9	155.8	174.7	71.1	0	0	0	0	110.9	Q1064 N1065 I1066	S1062-Q1064 PolarHBondContact O-N 2.9Å; S1062-Q1064 VanDerWaalsContact O-N 3.09Å; S1062-Q1064 PolarHBondContact OG-OE1 3.07Å; S1062-N1065 PolarHBondContact O-N 3.26Å; S1062-I1066 PolarHBondContact O-N 3.18Å
1063	E	63.5	Low	58.1	Low	169 Å²	169	110.8 Å²	110.8	79%	0.79	62%	0.622	S	S	*	*	H	α-helix	trans	-53.2	-31.2	175.6	-170	173.2	-164.3	0	0	112.2	I1066 R1067	E1063-I1066 PolarHBondContact O-N 2.82Å; E1063-R1067 WeakPolarHBondContact O-CB 3.2Å; E1063-R1067 PolarHBondContact O-N 3.31Å
1064	Q	53.3	Low	60.3	Low	147 Å²	147	110 Å²	110	69%	0.687	61%	0.608	S	S	*	*	H	α-helix	trans	-64.5	-41.6	174.5	-59.7	136.1	-23.4	0	0	112.5	S1062 R1067 L1068	S1062-Q1064 PolarHBondContact O-N 2.9Å; S1062-Q1064 VanDerWaalsContact O-N 3.09Å; S1062-Q1064 PolarHBondContact OG-OE1 3.07Å; Q1064-R1067 PolarHBondContact O-N 3.26Å; Q1064-L1068 WeakPolarHBondContact O-CB 3.41Å; Q1064-L1068 PolarHBondContact O-N 3.37Å
1065	N	60.2	Low	61.8	Low	72 Å²	72	109.8 Å²	109.8	39%	0.385	60%	0.596	S	S	.	*	H	α-helix	trans	-68.4	-38	176.2	-80.2	-3	0	0	0	111.5	L1061 S1062 R1067 L1068 H1069	L1061-N1065 HydrophobicContact CB-CB 4.32Å; L1061-N1065 HydrophobicContact CD2-CB 4.42Å; S1062-N1065 PolarHBondContact O-N 3.26Å; N1065-R1067 VanDerWaalsContact C-N 3.34Å; N1065-L1068 PolarHBondContact O-N 2.77Å; N1065-H1069 PolarHBondContact O-CD2 2.73Å; N1065-H1069 PolarHBondContact O-N 2.88Å
1066	I	75.4	Confident	63.5	Low	87 Å²	87	109.4 Å²	109.4	45%	0.446	59%	0.588	S	S	.	*	H	α-helix	trans	-62.5	-44.6	173.9	-60.9	174.1	0	0	0	109.8	L1061 S1062 E1063 H1069 Q1070	L1061-I1066 HydrophobicContact CB-CG1 4.5Å; S1062-I1066 PolarHBondContact O-N 3.18Å; E1063-I1066 PolarHBondContact O-N 2.82Å; I1066-H1069 PolarHBondContact O-N 2.74Å; I1066-Q1070 WeakPolarHBondContact O-CG 3.46Å; I1066-Q1070 PolarHBondContact O-N 2.84Å
1067	R	75.9	Confident	65.6	Low	130 Å²	130	111.1 Å²	111.1	49%	0.491	58%	0.579	S	S	.	*	H	α-helix	trans	-65.7	-38.4	177.1	-165.9	68.7	-174.4	127.7	8.1	112.6	E1063 Q1064 N1065 Q1070 I1071	E1063-R1067 WeakPolarHBondContact O-CB 3.2Å; E1063-R1067 PolarHBondContact O-N 3.31Å; Q1064-R1067 PolarHBondContact O-N 3.26Å; N1065-R1067 VanDerWaalsContact C-N 3.34Å; R1067-Q1070 WeakPolarHBondContact O-CB 3.49Å; R1067-Q1070 PolarHBondContact O-N 3.19Å; R1067-I1071 HydrophobicContact CG-CD1 4.25Å; R1067-I1071 WeakPolarHBondContact O-CG1 3.47Å; R1067-I1071 PolarHBondContact O-N 2.91Å
1068	L	64.5	Low	67.4	Low	104 Å²	104	109.8 Å²	109.8	55%	0.545	56%	0.563	S	S	.	*	H	α-helix	trans	-61.7	-46.1	174.6	-172.2	69.1	0	0	0	111.3	Q1064 N1065 Q1070 I1071 V1072	Q1064-L1068 WeakPolarHBondContact O-CB 3.41Å; Q1064-L1068 PolarHBondContact O-N 3.37Å; N1065-L1068 PolarHBondContact O-N 2.77Å; L1068-Q1070 VanDerWaalsContact C-N 3.33Å; L1068-Q1070 PolarHBondContact O-N 3.37Å; L1068-I1071 PolarHBondContact O-N 3.47Å; L1068-V1072 WeakPolarHBondContact O-CG2 3.37Å; L1068-V1072 PolarHBondContact O-N 3.46Å
1069	H	69.4	Low	69.3	Low	124 Å²	124	110.6 Å²	110.6	57%	0.574	55%	0.549	S	S	*	.	H	α-helix	trans	-62.7	-37.2	175.6	-90.2	-81.6	0	0	0	112.9	N1065 I1066 V1072 Q1073	N1065-H1069 PolarHBondContact O-CD2 2.73Å; N1065-H1069 PolarHBondContact O-N 2.88Å; I1066-H1069 PolarHBondContact O-N 2.74Å; H1069-V1072 PolarHBondContact O-N 3.31Å; H1069-Q1073 PolarHBondContact O-N 2.93Å
1070	Q	79.6	Confident	71.1	Confident	94 Å²	94	106.8 Å²	106.8	44%	0.439	53%	0.532	S	S	.	.	H	α-helix	trans	-62.1	-46.5	172.6	-72.9	174.8	-0.7	0	0	111.9	I1066 R1067 L1068 V1072 Q1073 E1074	I1066-Q1070 WeakPolarHBondContact O-CG 3.46Å; I1066-Q1070 PolarHBondContact O-N 2.84Å; R1067-Q1070 WeakPolarHBondContact O-CB 3.49Å; R1067-Q1070 PolarHBondContact O-N 3.19Å; L1068-Q1070 VanDerWaalsContact C-N 3.33Å; L1068-Q1070 PolarHBondContact O-N 3.37Å; Q1070-V1072 VanDerWaalsContact C-N 3.33Å; Q1070-V1072 PolarHBondContact O-N 3.13Å; Q1070-Q1073 PolarHBondContact O-N 2.86Å; Q1070-E1074 WeakPolarHBondContact O-CB 3.23Å; Q1070-E1074 PolarHBondContact O-N 3.05Å
1071	I	79.3	Confident	72.6	Confident	69 Å²	69	108.5 Å²	108.5	35%	0.354	52%	0.519	S	S	.	.	H	α-helix	trans	-61.5	-42	178.5	-68.1	163.5	0	0	0	110.8	R1067 L1068 Q1073 E1074 H1075	R1067-I1071 HydrophobicContact CG-CD1 4.25Å; R1067-I1071 WeakPolarHBondContact O-CG1 3.47Å; R1067-I1071 PolarHBondContact O-N 2.91Å; L1068-I1071 PolarHBondContact O-N 3.47Å; I1071-Q1073 PolarHBondContact O-N 2.96Å; I1071-E1074 PolarHBondContact O-N 3.09Å; I1071-H1075 PolarHBondContact O-CD2 2.89Å; I1071-H1075 PolarHBondContact O-N 3.22Å
1072	V	79.6	Confident	73.6	Confident	74 Å²	74	107.8 Å²	107.8	45%	0.448	52%	0.516	S	S	.	.	H	α-helix	trans	-63	-39.1	176.2	170.7	0	0	0	0	112	L1068 H1069 Q1070 K1076	L1068-V1072 WeakPolarHBondContact O-CG2 3.37Å; L1068-V1072 PolarHBondContact O-N 3.46Å; H1069-V1072 PolarHBondContact O-N 3.31Å; Q1070-V1072 VanDerWaalsContact C-N 3.33Å; Q1070-V1072 PolarHBondContact O-N 3.13Å; V1072-K1076 PolarHBondContact O-N 3.37Å; V1072-K1076 VanDerWaalsContact O-N 3.13Å
1073	Q	74.7	Confident	74	Confident	143 Å²	143	110.3 Å²	110.3	67%	0.668	53%	0.525	S	S	*	.	H	α-helix	trans	-72.6	-36.4	174.8	-74	-166.5	-14.6	0	0	113	H1069 Q1070 I1071 H1075 K1076 L1077	H1069-Q1073 PolarHBondContact O-N 2.93Å; Q1070-Q1073 PolarHBondContact O-N 2.86Å; I1071-Q1073 PolarHBondContact O-N 2.96Å; Q1073-H1075 VanDerWaalsContact C-N 3.32Å; Q1073-H1075 PolarHBondContact O-N 3.17Å; Q1073-K1076 PolarHBondContact O-N 3.44Å; Q1073-L1077 WeakPolarHBondContact O-CB 3.45Å; Q1073-L1077 PolarHBondContact O-N 3.21Å
1074	E	83.6	Confident	74.7	Confident	81 Å²	81	110.5 Å²	110.5	38%	0.379	52%	0.519	S	S	.	.	H	α-helix	trans	-62	-40.3	174.5	-165.3	-175.2	137.5	0	0	111.3	Q1070 I1071 L1077 R1078	Q1070-E1074 WeakPolarHBondContact O-CB 3.23Å; Q1070-E1074 PolarHBondContact O-N 3.05Å; I1071-E1074 PolarHBondContact O-N 3.09Å; E1074-L1077 PolarHBondContact O-N 3.45Å; E1074-R1078 PolarHBondContact O-N 3.33Å; E1074-R1078 VanDerWaalsContact O-N 3.09Å; E1074-R1078 IonicContact OE1-CZ 3.66Å; E1074-R1078 IonicContact OE1-NH1 3.45Å; E1074-R1078 PolarHBondContact OE1-NH1 3.39Å; E1074-R1078 IonicContact OE1-NH2 2.79Å; E1074-R1078 PolarHBondContact OE1-NH2 3.39Å
1075	H	72.4	Confident	75.8	Confident	118 Å²	118	109.5 Å²	109.5	55%	0.546	51%	0.514	S	S	.	.	H	α-helix	trans	-63.6	-47.5	172.8	-92.5	-96.4	0	0	0	112.7	I1071 Q1073 L1077 R1078 E1079	I1071-H1075 PolarHBondContact O-CD2 2.89Å; I1071-H1075 PolarHBondContact O-N 3.22Å; Q1073-H1075 VanDerWaalsContact C-N 3.32Å; Q1073-H1075 PolarHBondContact O-N 3.17Å; H1075-L1077 VanDerWaalsContact C-N 3.29Å; H1075-L1077 PolarHBondContact O-N 2.87Å; H1075-R1078 PolarHBondContact O-N 3.14Å; H1075-E1079 WeakPolarHBondContact O-CB 3.24Å; H1075-E1079 PolarHBondContact O-N 3.11Å
1076	K	78.2	Confident	76.6	Confident	132 Å²	132	111.1 Å²	111.1	57%	0.574	52%	0.521	S	S	*	.	H	α-helix	trans	-60.9	-36.9	176.4	-75.3	-169.4	172.8	-162.6	0	112.9	V1072 Q1073 E1079 E1080	V1072-K1076 PolarHBondContact O-N 3.37Å; V1072-K1076 VanDerWaalsContact O-N 3.13Å; Q1073-K1076 PolarHBondContact O-N 3.44Å; K1076-E1079 PolarHBondContact O-N 2.95Å; K1076-E1080 PolarHBondContact O-N 3.49Å
1077	L	84.3	Confident	76.5	Confident	111 Å²	111	112.3 Å²	112.3	58%	0.581	53%	0.525	S	S	*	.	H	α-helix	trans	-68.2	-37.2	177.2	-161.5	76	0	0	0	111.9	Q1073 E1074 H1075 M1081	Q1073-L1077 WeakPolarHBondContact O-CB 3.45Å; Q1073-L1077 PolarHBondContact O-N 3.21Å; E1074-L1077 PolarHBondContact O-N 3.45Å; H1075-L1077 VanDerWaalsContact C-N 3.29Å; H1075-L1077 PolarHBondContact O-N 2.87Å; L1077-M1081 WeakPolarHBondContact O-CB 3.43Å; L1077-M1081 PolarHBondContact O-N 3.45Å; L1077-M1081 VanDerWaalsContact O-N 3.1Å
1078	R	76.4	Confident	76.6	Confident	127 Å²	127	107.8 Å²	107.8	48%	0.479	52%	0.519	S	S	.	.	H	α-helix	trans	-66.1	-40.5	171.1	-74.5	-171.3	179	103.9	13.2	112.2	E1074 H1075 M1081 L1082	E1074-R1078 PolarHBondContact O-N 3.33Å; E1074-R1078 VanDerWaalsContact O-N 3.09Å; E1074-R1078 IonicContact OE1-CZ 3.66Å; E1074-R1078 IonicContact OE1-NH1 3.45Å; E1074-R1078 PolarHBondContact OE1-NH1 3.39Å; E1074-R1078 IonicContact OE1-NH2 2.79Å; E1074-R1078 PolarHBondContact OE1-NH2 3.39Å; H1075-R1078 PolarHBondContact O-N 3.14Å; R1078-M1081 WeakPolarHBondContact O-CB 3.49Å; R1078-M1081 PolarHBondContact O-N 3.41Å; R1078-L1082 WeakPolarHBondContact O-CG 3.5Å; R1078-L1082 PolarHBondContact O-N 3.37Å
1079	E	78.3	Confident	76.6	Confident	121 Å²	121	108.5 Å²	108.5	57%	0.565	52%	0.521	S	S	*	.	H	α-helix	trans	-61.1	-48.5	177	-173	177.4	-167.6	0	0	111.5	H1075 K1076 M1081 L1082 L1083	H1075-E1079 WeakPolarHBondContact O-CB 3.24Å; H1075-E1079 PolarHBondContact O-N 3.11Å; K1076-E1079 PolarHBondContact O-N 2.95Å; E1079-M1081 VanDerWaalsContact C-N 3.3Å; E1079-M1081 PolarHBondContact O-N 2.93Å; E1079-L1082 PolarHBondContact O-N 3.23Å; E1079-L1083 HydrophobicContact CG-CD1 4.26Å; E1079-L1083 WeakPolarHBondContact O-CB 3.49Å; E1079-L1083 VanDerWaalsContact O-CG 3.28Å; E1079-L1083 WeakPolarHBondContact O-CG 3.44Å; E1079-L1083 PolarHBondContact O-N 3.22Å
1080	E	80.2	Confident	76.1	Confident	99 Å²	99	108.8 Å²	108.8	46%	0.463	52%	0.517	S	S	.	.	H	α-helix	trans	-59.9	-37.9	172.7	-83	-164.4	-147.9	0	0	113.2	K1076 L1083 R1084	K1076-E1080 PolarHBondContact O-N 3.49Å; E1080-L1083 PolarHBondContact O-N 2.96Å; E1080-R1084 WeakPolarHBondContact O-CG 3.38Å; E1080-R1084 PolarHBondContact O-N 3.37Å; E1080-R1084 IonicContact OE2-CZ 3.36Å; E1080-R1084 IonicContact OE2-NH2 2.66Å; E1080-R1084 PolarHBondContact OE2-NH2 3.16Å
1081	M	81.1	Confident	75.6	Confident	117 Å²	117	108.5 Å²	108.5	58%	0.576	52%	0.518	S	S	*	.	H	α-helix	trans	-66.5	-46.8	180	-165.1	179.2	-56.3	0	0	111.3	L1077 R1078 E1079 L1083 R1084 E1085	L1077-M1081 WeakPolarHBondContact O-CB 3.43Å; L1077-M1081 PolarHBondContact O-N 3.45Å; L1077-M1081 VanDerWaalsContact O-N 3.1Å; R1078-M1081 WeakPolarHBondContact O-CB 3.49Å; R1078-M1081 PolarHBondContact O-N 3.41Å; E1079-M1081 VanDerWaalsContact C-N 3.3Å; E1079-M1081 PolarHBondContact O-N 2.93Å; M1081-L1083 PolarHBondContact O-N 3.17Å; M1081-R1084 PolarHBondContact O-N 3.24Å; M1081-E1085 PolarHBondContact O-N 3.45Å
1082	L	70.8	Confident	75	Confident	97 Å²	97	107.3 Å²	107.3	51%	0.508	52%	0.519	S	S	.	.	H	α-helix	trans	-62.7	-39.6	174.5	-71.2	168.3	0	0	0	111.8	R1078 E1079 R1084 E1085 I1086	R1078-L1082 WeakPolarHBondContact O-CG 3.5Å; R1078-L1082 PolarHBondContact O-N 3.37Å; E1079-L1082 PolarHBondContact O-N 3.23Å; L1082-R1084 VanDerWaalsContact C-N 3.33Å; L1082-R1084 PolarHBondContact O-N 3.1Å; L1082-E1085 PolarHBondContact O-N 3.33Å; L1082-I1086 WeakPolarHBondContact O-CB 3.5Å; L1082-I1086 WeakPolarHBondContact O-CD1 3.46Å; L1082-I1086 VanDerWaalsContact O-CG1 3.24Å; L1082-I1086 WeakPolarHBondContact O-CG1 3.45Å; L1082-I1086 PolarHBondContact O-N 3.15Å
1083	L	72.6	Confident	74	Confident	101 Å²	101	109.7 Å²	109.7	53%	0.529	53%	0.528	S	S	.	.	H	α-helix	trans	-63.6	-37.2	175.4	-74.2	168.6	0	0	0	112.3	E1079 E1080 M1081 H1087	E1079-L1083 HydrophobicContact CG-CD1 4.26Å; E1079-L1083 WeakPolarHBondContact O-CB 3.49Å; E1079-L1083 VanDerWaalsContact O-CG 3.28Å; E1079-L1083 WeakPolarHBondContact O-CG 3.44Å; E1079-L1083 PolarHBondContact O-N 3.22Å; E1080-L1083 PolarHBondContact O-N 2.96Å; M1081-L1083 PolarHBondContact O-N 3.17Å; L1083-H1087 VanDerWaalsContact O-CB 3.32Å; L1083-H1087 WeakPolarHBondContact O-CB 3.28Å; L1083-H1087 PolarHBondContact O-N 3.31Å
1084	R	78.1	Confident	73.2	Confident	173 Å²	173	108.7 Å²	108.7	65%	0.653	53%	0.527	S	S	*	.	H	α-helix	trans	-69.3	-38.6	173.2	-69.6	175.6	-157	-168.5	9	112.2	E1080 M1081 L1082 H1087 G1088	E1080-R1084 WeakPolarHBondContact O-CG 3.38Å; E1080-R1084 PolarHBondContact O-N 3.37Å; E1080-R1084 IonicContact OE2-CZ 3.36Å; E1080-R1084 IonicContact OE2-NH2 2.66Å; E1080-R1084 PolarHBondContact OE2-NH2 3.16Å; M1081-R1084 PolarHBondContact O-N 3.24Å; L1082-R1084 VanDerWaalsContact C-N 3.33Å; L1082-R1084 PolarHBondContact O-N 3.1Å; R1084-H1087 PolarHBondContact O-N 3.27Å; R1084-G1088 PolarHBondContact O-N 3.46Å
1085	E	76.7	Confident	71.8	Confident	125 Å²	125	113.1 Å²	113.1	58%	0.584	55%	0.547	S	S	*	.	H	α-helix	trans	-66	-45.9	176.9	-171.1	168.2	-151.6	0	0	111.5	M1081 L1082 H1087 G1088 M1089	M1081-E1085 PolarHBondContact O-N 3.45Å; L1082-E1085 PolarHBondContact O-N 3.33Å; E1085-H1087 VanDerWaalsContact C-N 3.29Å; E1085-H1087 PolarHBondContact O-N 2.9Å; E1085-G1088 PolarHBondContact O-N 2.87Å; E1085-G1088 VanDerWaalsContact O-N 3.15Å; E1085-M1089 WeakPolarHBondContact O-CG 3.33Å; E1085-M1089 PolarHBondContact O-N 2.87Å
1086	I	77	Confident	71.1	Confident	106 Å²	106	116 Å²	116	54%	0.544	56%	0.558	S	S	.	*	H	α-helix	trans	-59.6	-39.1	172.1	-69	165	0	0	0	111.1	L1082 M1089 R1090	L1082-I1086 WeakPolarHBondContact O-CB 3.5Å; L1082-I1086 WeakPolarHBondContact O-CD1 3.46Å; L1082-I1086 VanDerWaalsContact O-CG1 3.24Å; L1082-I1086 WeakPolarHBondContact O-CG1 3.45Å; L1082-I1086 PolarHBondContact O-N 3.15Å; I1086-M1089 PolarHBondContact O-N 3.38Å; I1086-R1090 WeakPolarHBondContact O-CB 3.36Å; I1086-R1090 PolarHBondContact O-N 2.99Å
1087	H	72.8	Confident	69.7	Low	112 Å²	112	112 Å²	112	52%	0.519	56%	0.555	S	S	.	*	H	α-helix	trans	-66	-41.8	174.8	-171.2	83.1	0	0	0	112.2	L1083 R1084 E1085 R1090 L1091	L1083-H1087 VanDerWaalsContact O-CB 3.32Å; L1083-H1087 WeakPolarHBondContact O-CB 3.28Å; L1083-H1087 PolarHBondContact O-N 3.31Å; R1084-H1087 PolarHBondContact O-N 3.27Å; E1085-H1087 VanDerWaalsContact C-N 3.29Å; E1085-H1087 PolarHBondContact O-N 2.9Å; H1087-R1090 WeakPolarHBondContact O-CB 3.27Å; H1087-R1090 PolarHBondContact O-N 3.16Å; H1087-L1091 WeakPolarHBondContact O-CG 3.4Å; H1087-L1091 PolarHBondContact O-N 3.09Å
1088	G	78.1	Confident	67.8	Low	36 Å²	36	110.4 Å²	110.4	37%	0.371	55%	0.552	S	S	.	*	H	α-helix	trans	-61	-43.8	173.1	0	0	0	0	0	112.6	R1084 E1085 R1090 L1091 A1092	R1084-G1088 PolarHBondContact O-N 3.46Å; E1085-G1088 PolarHBondContact O-N 2.87Å; E1085-G1088 VanDerWaalsContact O-N 3.15Å; G1088-R1090 PolarHBondContact O-N 3.47Å; G1088-L1091 PolarHBondContact O-N 2.96Å; G1088-A1092 WeakPolarHBondContact O-CB 3.32Å; G1088-A1092 PolarHBondContact O-N 3.23Å
1089	M	65.4	Low	66.5	Low	119 Å²	119	110.1 Å²	110.1	59%	0.586	57%	0.567	S	S	*	*	H	α-helix	trans	-61.1	-42.1	172.2	-70.4	177.3	66.5	0	0	112	E1085 I1086 L1091 A1092 L1093	E1085-M1089 WeakPolarHBondContact O-CG 3.33Å; E1085-M1089 PolarHBondContact O-N 2.87Å; I1086-M1089 PolarHBondContact O-N 3.38Å; M1089-L1091 PolarHBondContact O-N 3.02Å; M1089-A1092 PolarHBondContact O-N 2.83Å; M1089-L1093 WeakPolarHBondContact O-CB 3.46Å; M1089-L1093 VanDerWaalsContact O-CG 3.27Å; M1089-L1093 WeakPolarHBondContact O-CG 3.5Å; M1089-L1093 PolarHBondContact O-N 3.22Å
1090	R	58.8	Low	65.1	Low	129 Å²	129	109.7 Å²	109.7	49%	0.487	58%	0.577	S	S	.	*	H	α-helix	trans	-61	-42.7	176.1	-175.9	176.2	175.1	-176.8	-4.2	111.4	I1086 H1087 G1088 L1093 L1094 E1110	I1086-R1090 WeakPolarHBondContact O-CB 3.36Å; I1086-R1090 PolarHBondContact O-N 2.99Å; H1087-R1090 WeakPolarHBondContact O-CB 3.27Å; H1087-R1090 PolarHBondContact O-N 3.16Å; G1088-R1090 PolarHBondContact O-N 3.47Å; R1090-L1093 PolarHBondContact O-N 3.5Å; R1090-L1094 HydrophobicContact CG-CD1 4.22Å; R1090-L1094 VanDerWaalsContact O-CG 3.28Å; R1090-L1094 WeakPolarHBondContact O-CG 3.42Å; R1090-L1094 PolarHBondContact O-N 2.97Å; R1090-L1094 VanDerWaalsContact O-N 3.09Å; R1090-E1110 IonicContact NH2-OE1 3.31Å; R1090-E1110 PolarHBondContact NH2-OE1 3.22Å
1091	L	68.8	Low	63.7	Low	88 Å²	88	109 Å²	109	46%	0.461	58%	0.582	S	S	.	*	H	α-helix	trans	-64.8	-48.4	175.7	-70.1	170.6	0	0	0	111.9	H1087 G1088 M1089 L1093 L1094 E1095	H1087-L1091 WeakPolarHBondContact O-CG 3.4Å; H1087-L1091 PolarHBondContact O-N 3.09Å; G1088-L1091 PolarHBondContact O-N 2.96Å; M1089-L1091 PolarHBondContact O-N 3.02Å; L1091-L1093 PolarHBondContact O-N 3.39Å; L1091-L1094 WeakPolarHBondContact O-CB 3.28Å; L1091-L1094 PolarHBondContact O-N 3.48Å; L1091-E1095 PolarHBondContact O-N 2.95Å
1092	A	67.6	Low	62	Low	45 Å²	45	110.2 Å²	110.2	37%	0.372	59%	0.591	S	S	.	*	H	α-helix	trans	-64.9	-22.4	178.9	0	0	0	0	0	113.9	G1088 M1089 K1096	G1088-A1092 WeakPolarHBondContact O-CB 3.32Å; G1088-A1092 PolarHBondContact O-N 3.23Å; M1089-A1092 PolarHBondContact O-N 2.83Å; A1092-K1096 WeakPolarHBondContact O-CG 3.46Å
1093	L	57.6	Low	60.7	Low	124 Å²	124	110.8 Å²	110.8	65%	0.649	60%	0.604	S	S	*	*	H	α-helix	trans	-80.8	-34.2	170.9	-73.8	167	0	0	0	112.4	M1089 R1090 L1091 K1096	M1089-L1093 WeakPolarHBondContact O-CB 3.46Å; M1089-L1093 VanDerWaalsContact O-CG 3.27Å; M1089-L1093 WeakPolarHBondContact O-CG 3.5Å; M1089-L1093 PolarHBondContact O-N 3.22Å; R1090-L1093 PolarHBondContact O-N 3.5Å; L1091-L1093 PolarHBondContact O-N 3.39Å; L1093-K1096 PolarHBondContact O-N 3.32Å
1094	L	57.6	Low	59.4	Low	121 Å²	121	112.6 Å²	112.6	63%	0.634	61%	0.612	S	S	*	*	H	α-helix	trans	-68.9	-40.1	174.8	-72.4	165	0	0	0	111.9	R1090 L1091 K1096 G1097	R1090-L1094 HydrophobicContact CG-CD1 4.22Å; R1090-L1094 VanDerWaalsContact O-CG 3.28Å; R1090-L1094 WeakPolarHBondContact O-CG 3.42Å; R1090-L1094 PolarHBondContact O-N 2.97Å; R1090-L1094 VanDerWaalsContact O-N 3.09Å; L1091-L1094 WeakPolarHBondContact O-CB 3.28Å; L1091-L1094 PolarHBondContact O-N 3.48Å; L1094-K1096 PolarHBondContact O-N 3.34Å; L1094-G1097 PolarHBondContact O-N 2.99Å
1095	E	55	Low	57.9	Low	174 Å²	174	109 Å²	109	81%	0.813	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-19.9	175.3	-70.7	-170.6	136.8	0	0	113.8	L1091	L1091-E1095 PolarHBondContact O-N 2.95Å
1096	K	57.1	Low	56.4	Low	178 Å²	178	107.3 Å²	107.3	77%	0.774	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	6.8	176.6	-71.5	178	-179.6	176.9	0	113.7	A1092 L1093 L1094	A1092-K1096 WeakPolarHBondContact O-CG 3.46Å; L1093-K1096 PolarHBondContact O-N 3.32Å; L1094-K1096 PolarHBondContact O-N 3.34Å
1097	G	48.6	Very low	54.7	Low	50 Å²	50	107.6 Å²	107.6	52%	0.515	62%	0.618	S	S	.	*			trans	-67.8	132	175.7	0	0	0	0	0	113	L1094	L1094-G1097 PolarHBondContact O-N 2.99Å
1098	C	44.5	Very low	53.3	Low	76 Å²	76	108 Å²	108	51%	0.514	62%	0.624	S	S	.	*			trans	-65.7	129.4	175.6	-176.2	0	0	0	0	111	S1100 C1101	C1098-S1100 PolarHBondContact O-N 2.96Å; C1098-C1101 PolarHBondContact O-N 2.87Å
1099	P	50.3	Low	51.5	Low	121 Å²	121	112 Å²	112	79%	0.786	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-57.8	-22	-177.4	-28.5	36	0	0	0	115.6	C1101	P1099-C1101 PolarHBondContact O-N 3.19Å
1100	S	48.3	Very low	50.3	Low	112 Å²	112	112 Å²	112	78%	0.783	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-82.4	-6	-174.1	-55.4	0	0	0	0	115.4	C1098	C1098-S1100 PolarHBondContact O-N 2.96Å
1101	C	50.7	Low	49.2	Very low	85 Å²	85	113.1 Å²	113.1	57%	0.574	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-104.9	-1.1	-169.1	-59	0	0	0	0	115	C1098 P1099 S1103	C1098-C1101 PolarHBondContact O-N 2.87Å; P1099-C1101 PolarHBondContact O-N 3.19Å; C1101-S1103 PolarHBondContact O-N 3.19Å
1102	N	45.7	Very low	48	Very low	143 Å²	143	114.2 Å²	114.2	77%	0.765	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	30.9	-147.5	-147	10.7	0	0	0	116.6
1103	S	44.5	Very low	46.5	Very low	109 Å²	109	117.1 Å²	117.1	76%	0.762	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.3	-10.7	-174.8	59.4	0	0	0	0	116.6	C1101	C1101-S1103 PolarHBondContact O-N 3.19Å
1104	I	45.2	Very low	45.5	Very low	138 Å²	138	120.3 Å²	120.3	71%	0.708	66%	0.661	S	S	*	*	S	Bend	trans	-126.4	-22.9	-171.2	-66.2	178.3	0	0	0	114.3
1105	V	45.7	Very low	44.3	Very low	98 Å²	98	124.4 Å²	124.4	59%	0.594	67%	0.668	S	S	*	*	S	Bend	trans	-91.9	-23.9	-165.7	-175.1	0	0	0	0	114.4	T1107	V1105-T1107 PolarHBondContact O-N 3.27Å
1106	S	45.4	Very low	43.5	Very low	90 Å²	90	122.2 Å²	122.2	63%	0.629	66%	0.662	S	S	*	*	H	α-helix	trans	-57.9	-47	-165.9	-167.9	0	0	0	0	114.8
1107	T	40.8	Very low	42.5	Very low	112 Å²	112	122.5 Å²	122.5	69%	0.687	66%	0.663	S	S	*	*	H	α-helix	trans	-79.2	-23.9	-168.2	44.4	0	0	0	0	115.5	V1105	V1105-T1107 PolarHBondContact O-N 3.27Å
1108	N	43.8	Very low	41.7	Very low	119 Å²	119	126.3 Å²	126.3	64%	0.636	67%	0.671	S	S	*	*	H	α-helix	trans	-86.2	-21.9	-177.6	-81.9	-23.9	0	0	0	113.6	I1112	N1108-I1112 WeakPolarHBondContact O-CG1 3.4Å
1109	M	40.2	Very low	41.1	Very low	120 Å²	120	131.4 Å²	131.4	59%	0.591	71%	0.706	S	S	*	*	H	α-helix	trans	-77.1	-34.3	-172.2	-158.3	170.5	-172.6	0	0	112.8	L1113	M1109-L1113 HydrophobicContact CG-CD1 4.4Å; M1109-L1113 WeakPolarHBondContact O-CG 3.49Å; M1109-L1113 PolarHBondContact O-N 2.98Å
1110	E	39.8	Very low	40.7	Very low	119 Å²	119	132 Å²	132	56%	0.556	70%	0.702	S	S	*	*	H	α-helix	trans	-69	-38.7	-178.6	-55.5	-150.8	114.4	0	0	112.4	R1090 I1112 L1113 W1114	R1090-E1110 IonicContact NH2-OE1 3.31Å; R1090-E1110 PolarHBondContact NH2-OE1 3.22Å; E1110-I1112 VanDerWaalsContact C-N 3.32Å; E1110-I1112 PolarHBondContact O-N 3.41Å; E1110-L1113 PolarHBondContact O-N 3.03Å; E1110-W1114 PolarHBondContact O-N 3.34Å
1111	H	37.2	Very low	40.3	Very low	153 Å²	153	133 Å²	133	71%	0.708	70%	0.698	S	S	*	*	H	α-helix	trans	-69.7	-25.7	-178.9	-114.9	-64.2	0	0	0	114
1112	I	41.6	Very low	39.7	Very low	111 Å²	111	135.7 Å²	135.7	57%	0.569	70%	0.704	S	S	*	*	H	α-helix	trans	-81.6	-37.4	178.2	-65.8	172.3	0	0	0	110.9	N1108 E1110 N1116	N1108-I1112 WeakPolarHBondContact O-CG1 3.4Å; E1110-I1112 VanDerWaalsContact C-N 3.32Å; E1110-I1112 PolarHBondContact O-N 3.41Å; I1112-N1116 PolarHBondContact O-ND2 3.02Å
1113	L	37.6	Very low	39.4	Very low	106 Å²	106	135.2 Å²	135.2	56%	0.555	70%	0.701	S	S	*	*	H	α-helix	trans	-68.6	-43.2	178.6	-71.3	168.8	0	0	0	112	M1109 E1110 R1115	M1109-L1113 HydrophobicContact CG-CD1 4.4Å; M1109-L1113 WeakPolarHBondContact O-CG 3.49Å; M1109-L1113 PolarHBondContact O-N 2.98Å; E1110-L1113 PolarHBondContact O-N 3.03Å; L1113-R1115 VanDerWaalsContact C-N 3.34Å; L1113-R1115 PolarHBondContact O-N 3.5Å
1114	W	35.5	Very low	39	Very low	192 Å²	192	136.9 Å²	136.9	73%	0.727	70%	0.697	S	S	*	*	H	α-helix	trans	-67.2	-31.3	-177.5	-121.5	84.5	0	0	0	113.9	E1110 L1118	E1110-W1114 PolarHBondContact O-N 3.34Å; W1114-L1118 HydrophobicContact CE3-CD1 3.88Å; W1114-L1118 HydrophobicContact CH2-CD1 4.25Å; W1114-L1118 HydrophobicContact CZ3-CD1 3.42Å; W1114-L1118 VanDerWaalsContact CZ3-CD1 3.42Å
1115	R	32.8	Very low	38.6	Very low	207 Å²	207	136.8 Å²	136.8	78%	0.781	70%	0.696	S	S	*	*	H	α-helix	trans	-80.1	-16.1	-174.5	-154.9	174	-171.1	173.8	3.6	114.2	L1113	L1113-R1115 VanDerWaalsContact C-N 3.34Å; L1113-R1115 PolarHBondContact O-N 3.5Å
1116	N	39.5	Very low	38.1	Very low	128 Å²	128	139.6 Å²	139.6	68%	0.684	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	6.1	177.9	-68.7	-70	0	0	0	113.4	I1112	I1112-N1116 PolarHBondContact O-ND2 3.02Å
1117	F	35.5	Very low	37.6	Very low	183 Å²	183	143.4 Å²	143.4	80%	0.803	71%	0.709	S	S	*	*	S	Bend	trans	-110.4	5.5	-177.4	-143.9	-92	0	0	0	113.3
1118	L	31.7	Very low	37.3	Very low	130 Å²	130	146 Å²	146	68%	0.681	71%	0.711	S	S	*	*			trans	-138.8	32.4	-174.8	-80.1	171.1	0	0	0	112.4	W1114	W1114-L1118 HydrophobicContact CE3-CD1 3.88Å; W1114-L1118 HydrophobicContact CH2-CD1 4.25Å; W1114-L1118 HydrophobicContact CZ3-CD1 3.42Å; W1114-L1118 VanDerWaalsContact CZ3-CD1 3.42Å
1119	C	32.6	Very low	36.7	Very low	184 Å²	184	148.5 Å²	148.5	100%	1.243	72%	0.718	S	S	*	*			trans	-140.4	0	173.5	-72.8	0	0	0	0	109.2

Retrieved 1,119 of 1,119 residues in 1736.5 ms (Link to these results)

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