A0A3Q0KLY7_SCHMA Loading...

Exocyst complex component 2

Component of the exocyst complex involved in the docking of exocytic vesicles with fusion sites on the plasma membrane.

AlphaFold DB , UniProt , Accession A0A3Q0KLY7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 990 aa.

						>A0A3Q0KLY7_SCHMA|A0A3Q0KLY7
MGKPSGPAPQVNGISPNQGTPGTKLTIRGENLGNTASDLLHVFIGGIDVGRSAQWFSPKKLTAITPLGEGELEIVVVTDSGGIGTAAVIYRQNMLRVVSPQTVVTYWPEDDRRVAPTSGSTSGGSSGSTVAVGCVPGAELDHSTGLPMSELSRISMPLSDSALREIYPRSGSVHLADKDFNPVMFLLKFYKNSNFNDLLVTVKNFRQSMGQEGPGEPVNVIRTNLVLIFRCLDGMDSLRRRLDNEKKSIETNDSNDLRLESILYDTRTLGHRLFEDILKRRDRGDSIKNAISVLQRYQFLFNLPHAIRTNISKGDYNLVLNDYLRAKSLFSNSDAEVLRRVYSDVENVVAKFSVMLRKQLISMPIDCDDARHKIGYLTQLEVDYDPGWLCLTYFKDWLIDQLRNYQRISHQDMVDGNSMKSKQFDGSNIIGNLLSVDNKSSVMNPDSFILFAEDFYGVPPMVGMVKAVCRLLTTHVIQFWRLGTAYISGQLNYNNQKSYDKLGQTSSTNDPKAAWLQINLELVHSVSNHMRDIVLEAFSTTSNETSLTDHLLECIKEYRQCCSSLPLSEMSSEICDIFAKLAYDLRKLAVRGIFLRAQLTIETLQIKERWDVDLTDTDGGITKLPLLYEDIIADSFILCEDQVFPRTSIEKPLFDSDELQERFPEWSGIGMISFIAVSQRLADQIEHTVQRAHGQDESSNDYQQSWIDSGVNNLRNSGQNIISQARGLLLVLNNVEWVACHANYRLLNLYKSLGYVAVDRLKATLDEAWDEGRKDICSRYVKLRSEWLCLPLQSYLLNLLPSERYINTKKKDDIYLINGIHSSLQEVLANLSHIYSELILLIGLKSIQSSSSSYRSNSINEANDRKPICSISIQEIFHQIIQYLIQYIHDRLVERNLSDWSQLAQLQLTLDLNAMKLILPSYLFTNESNKLLNIICSRYKIKITPVFSYLESEESQHLSKLLEKERVKMRLLINGLTTLQSPRRESMVTG
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.7	Very low	71.6	Confident	233 Å²	233	86.5 Å²	86.5	100%	1.148	52%	0.52	S	S	*	.				0	84.9	0	-68.5	-74.2	-176.5	0	0	107.5
2	G	52	Low	73.2	Confident	64 Å²	64	85.7 Å²	85.7	66%	0.66	51%	0.511	S	S	*	.			trans	-61.6	140.4	167.8	0	0	0	0	0	107.8
3	K	54.6	Low	74.6	Confident	201 Å²	201	80.7 Å²	80.7	87%	0.874	49%	0.488	S	S	*	.			trans	-53.5	130.3	172.3	-87.3	179.7	173.9	178.4	0	107.8	S5	K3-S5 PolarHBondContact O-N 2.81Å
4	P	59.7	Low	75.9	Confident	79 Å²	79	75.7 Å²	75.7	51%	0.513	46%	0.457	S	S	.	.			trans	-56.7	116	174.4	23.1	-31.1	0	0	0	107.1	S80	P4-S80 CarbonylContact C-O 3.59Å; P4-S80 WeakPolarHBondContact CA-O 3.28Å
5	S	64.8	Low	76.9	Confident	123 Å²	123	74.4 Å²	74.4	86%	0.86	45%	0.453	S	S	*	.			trans	-92.1	-14.2	-178.5	56.2	0	0	0	0	111.3	K3 S80	K3-S5 PolarHBondContact O-N 2.81Å; S5-S80 PolarHBondContact N-O 3.34Å
6	G	71.9	Confident	77.9	Confident	28 Å²	28	72.8 Å²	72.8	29%	0.289	44%	0.444	S	S	.	.	S	Bend	trans	-99.3	161.2	178.7	0	0	0	0	0	113.7	S80	G6-S80 PolarHBondContact N-O 3.15Å
7	P	82.1	Confident	78.4	Confident	82 Å²	82	75.1 Å²	75.1	53%	0.532	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-59.9	147	167.6	26.1	-35	0	0	0	111.8	N31 G81	P7-N31 WeakPolarHBondContact CB-ND2 3.25Å; P7-N31 HydrophobicContact CG-CB 4.27Å; P7-N31 VanDerWaalsContact CG-CG 3.45Å; P7-N31 WeakPolarHBondContact CG-ND2 3.28Å; P7-G81 WeakPolarHBondContact O-CA 3.48Å
8	A	85.6	Confident	79	Confident	50 Å²	50	78.3 Å²	78.3	41%	0.413	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-63.7	146	-179.7	0	0	0	0	0	112	Q10 G81	A8-Q10 PolarHBondContact O-N 3.48Å; A8-G81 WeakPolarHBondContact CA-O 3.42Å
9	P	90	Very high	79.4	Confident	1 Å²	1	75.2 Å²	75.2	1%	0.006	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-60.2	131.9	174.5	-17.7	27.3	0	0	0	111.2	N31 L32 V76 T78 G84 T85	P9-N31 WeakPolarHBondContact CA-O 3.24Å; P9-N31 WeakPolarHBondContact CB-O 3.27Å; P9-N31 WeakPolarHBondContact CG-O 3.42Å; P9-L32 HydrophobicContact CB-CD2 4.08Å; P9-V76 HydrophobicContact CB-CB 4.27Å; P9-V76 HydrophobicContact CB-CG1 4.32Å; P9-T78 HydrophobicContact CG-CG2 3.75Å; P9-T78 WeakPolarHBondContact CG-OG1 3.41Å; P9-G84 CarbonylContact O-C 3.51Å; P9-G84 WeakPolarHBondContact O-CA 3.31Å; P9-T85 PolarHBondContact O-N 3.49Å
10	Q	90.1	Very high	79.7	Confident	88 Å²	88	73.4 Å²	73.4	41%	0.411	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	117.6	178.1	-164.6	177.4	1.1	0	0	110.5	A8 N12 G29 E30 T85	A8-Q10 PolarHBondContact O-N 3.48Å; Q10-N12 WeakPolarHBondContact CG-OD1 3.44Å; Q10-G29 CarbonylContact O-C 3.51Å; Q10-G29 WeakPolarHBondContact O-CA 3.44Å; Q10-E30 PolarHBondContact N-O 3.36Å; Q10-E30 PolarHBondContact O-N 3.07Å; Q10-T85 WeakPolarHBondContact CA-O 3.42Å
11	V	91.6	Very high	79.9	Confident	2 Å²	2	69.9 Å²	69.9	1%	0.012	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	114.4	176.7	176.7	0	0	0	0	109.3	I14 I27 L32 V76 T85 A86 A87	V11-I14 HydrophobicContact CG1-CG2 4.03Å; V11-I27 HydrophobicContact CB-CG2 4.29Å; V11-I27 HydrophobicContact CG1-CG2 3.67Å; V11-I27 HydrophobicContact CG2-CG2 3.64Å; V11-L32 HydrophobicContact CG2-CD2 4.09Å; V11-V76 HydrophobicContact CG2-CG2 3.89Å; V11-T85 PolarHBondContact N-O 2.95Å; V11-A86 HydrophobicContact CB-CB 3.8Å; V11-A86 HydrophobicContact CG1-CB 4.31Å; V11-A86 HydrophobicContact CG2-CB 4.45Å; V11-A87 PolarHBondContact O-N 2.93Å
12	N	90.5	Very high	81.6	Confident	77 Å²	77	60.1 Å²	60.1	41%	0.412	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-19.6	-175.9	-67.1	-16.4	0	0	0	112.8	Q10 R28 V88	Q10-N12 WeakPolarHBondContact CG-OD1 3.44Å; N12-R28 PolarHBondContact N-O 3.29Å; N12-V88 WeakPolarHBondContact O-CG2 3.36Å
13	G	91.5	Very high	83.3	Confident	21 Å²	21	58.4 Å²	58.4	22%	0.216	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	148.3	-177.3	0	0	0	0	0	112.7	R28	G13-R28 PolarHBondContact N-O 3.47Å; G13-R28 WeakPolarHBondContact O-CA 3.49Å; G13-R28 PolarHBondContact O-N 3.1Å; G13-R28 VanDerWaalsContact O-O 3.07Å
14	I	92.5	Very high	85	Confident	11 Å²	11	54.5 Å²	54.5	6%	0.056	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	150	175.7	60.2	175.8	0	0	0	109.5	V11 N17 L25 T26 I27 I74 V88 Y90	V11-I14 HydrophobicContact CG1-CG2 4.03Å; I14-N17 PolarHBondContact O-OD1 2.81Å; I14-N17 VanDerWaalsContact O-OD1 3.07Å; I14-L25 HydrophobicContact CB-CD2 4.43Å; I14-L25 HydrophobicContact CG2-CD2 4.33Å; I14-T26 CarbonylContact C-O 3.5Å; I14-T26 VanDerWaalsContact CA-O 3.3Å; I14-T26 WeakPolarHBondContact CA-O 3.46Å; I14-I27 HydrophobicContact CG2-CG1 4.27Å; I14-I74 HydrophobicContact CD1-CD1 4.15Å; I14-I74 HydrophobicContact CG2-CD1 3.61Å; I14-V88 HydrophobicContact CD1-CB 4.43Å; I14-V88 HydrophobicContact CD1-CG1 3.8Å; I14-V88 HydrophobicContact CG1-CB 4.29Å; I14-V88 HydrophobicContact CG1-CG1 3.69Å; I14-Y90 HydrophobicContact CD1-CD2 4.09Å; I14-Y90 HydrophobicContact CD1-CG 4.42Å
15	S	91.7	Very high	86.4	Confident	56 Å²	56	50.7 Å²	50.7	39%	0.392	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	123.3	176.6	178.5	0	0	0	0	110.2	T26	S15-T26 PolarHBondContact N-O 3.45Å; S15-T26 WeakPolarHBondContact O-CB 3.48Å; S15-T26 PolarHBondContact O-N 3.08Å
16	P	91.9	Very high	87.8	Confident	48 Å²	48	46.2 Å²	46.2	31%	0.312	28%	0.28	S	S	.	.	S	Bend	cis	-72.9	160.3	-3.7	32.2	-35.7	0	0	0	112.7	Q18 T23 L25 Y90	P16-Q18 VanDerWaalsContact C-N 3.29Å; P16-T23 HydrophobicContact CG-CG2 3.67Å; P16-L25 WeakPolarHBondContact O-CD1 3.4Å; P16-Y90 WeakPolarHBondContact O-CE2 3.27Å
17	N	86.9	Confident	88.8	Confident	113 Å²	113	44.9 Å²	44.9	60%	0.604	27%	0.266	S	S	*	.	S	Bend	trans	-77.1	-22.4	-179.3	-48.2	5.9	0	0	0	112	I14 Y90 R91	I14-N17 PolarHBondContact O-OD1 2.81Å; I14-N17 VanDerWaalsContact O-OD1 3.07Å; N17-Y90 WeakPolarHBondContact O-CD2 3.37Å; N17-R91 PolarHBondContact O-N 3.27Å
18	Q	88.6	Confident	89.3	Confident	132 Å²	132	47.9 Å²	47.9	62%	0.617	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.6	151.6	178.1	66.8	-178	29.3	0	0	110.9	P16 R91	P16-Q18 VanDerWaalsContact C-N 3.29Å; Q18-R91 CarbonylContact C-O 3.59Å; Q18-R91 WeakPolarHBondContact CA-O 3.1Å; Q18-R91 HydrophobicContact CB-CB 4.2Å
19	G	86.5	Confident	89.6	Confident	20 Å²	20	45.8 Å²	45.8	21%	0.206	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.6	-171.8	178.7	0	0	0	0	0	113.5	Y90 R91 Q92 N93	G19-Y90 WeakPolarHBondContact CA-OH 3.48Å; G19-Y90 PolarHBondContact N-OH 2.85Å; G19-R91 PolarHBondContact N-O 3Å; G19-Q92 WeakPolarHBondContact O-CA 3.27Å; G19-N93 PolarHBondContact O-N 2.88Å
20	T	85.4	Confident	89.6	Confident	38 Å²	38	50.1 Å²	50.1	23%	0.233	27%	0.27	C	S	.	.			trans	-97.5	162.3	177.4	49.9	0	0	0	0	111.3	G22 T23 T65 N93 L95 Y106	T20-G22 PolarHBondContact O-N 3.26Å; T20-T23 PolarHBondContact N-OG1 3.08Å; T20-T23 VanDerWaalsContact O-CB 3.31Å; T20-T23 WeakPolarHBondContact O-CB 3.2Å; T20-T23 PolarHBondContact O-N 2.94Å; T20-T23 PolarHBondContact O-OG1 2.89Å; T20-T65 PolarHBondContact O-OG1 3.46Å; T20-N93 WeakPolarHBondContact CG2-O 3.46Å; T20-L95 HydrophobicContact CG2-CD1 4.07Å; T20-L95 HydrophobicContact CG2-CG 4.28Å; T20-Y106 HydrophobicContact CG2-CE1 4.47Å
21	P	83.8	Confident	89.6	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.006	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	138.4	171.9	-22.3	27.7	0	0	0	112.8	L67 Q92 M94 T105 Y106	P21-L67 HydrophobicContact CB-CD2 4.34Å; P21-Q92 HydrophobicContact CG-CG 4.31Å; P21-M94 HydrophobicContact CG-CE 4.49Å; P21-M94 HydrophobicContact CG-CG 4.04Å; P21-T105 PolarHBondContact O-OG1 3.17Å; P21-Y106 HydrophobicContact CB-CD1 3.89Å; P21-Y106 HydrophobicContact CB-CG 4.08Å; P21-Y106 HydrophobicContact CG-CD1 3.94Å; P21-Y106 HydrophobicContact CG-CE1 4.15Å; P21-Y106 HydrophobicContact CG-CG 4.25Å
22	G	82.7	Confident	89.4	Confident	28 Å²	28	48.8 Å²	48.8	29%	0.289	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	6.6	-175.9	0	0	0	0	0	114.8	T20 T65	T20-G22 PolarHBondContact O-N 3.26Å; G22-T65 PolarHBondContact N-O 3.33Å; G22-T65 VanDerWaalsContact N-O 3.14Å; G22-T65 PolarHBondContact N-OG1 3.28Å
23	T	87.2	Confident	89.2	Confident	28 Å²	28	45.1 Å²	45.1	17%	0.172	25%	0.247	C	C	.	.			trans	-69.4	134.8	174.6	-61.8	0	0	0	0	109.9	P16 T20 L25 T65	P16-T23 HydrophobicContact CG-CG2 3.67Å; T20-T23 PolarHBondContact N-OG1 3.08Å; T20-T23 VanDerWaalsContact O-CB 3.31Å; T20-T23 WeakPolarHBondContact O-CB 3.2Å; T20-T23 PolarHBondContact O-N 2.94Å; T20-T23 PolarHBondContact O-OG1 2.89Å; T23-L25 PolarHBondContact O-N 3.12Å; T23-L25 VanDerWaalsContact O-N 3.16Å; T23-T65 PolarHBondContact N-OG1 3.44Å; T23-T65 PolarHBondContact O-N 3.2Å; T23-T65 VanDerWaalsContact O-N 3.11Å
24	K	89.8	Confident	88.8	Confident	118 Å²	118	49.2 Å²	49.2	51%	0.513	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	103.7	172.7	-172.7	173	-175.4	169.7	0	109.5	T62	K24-T62 WeakPolarHBondContact CE-OG1 3.43Å
25	L	90.1	Very high	88.4	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	128.3	179.2	-160.3	81.9	0	0	0	110.3	I14 P16 T23 I27 I44 T62 A63 T65 I74 Y90	I14-L25 HydrophobicContact CB-CD2 4.43Å; I14-L25 HydrophobicContact CG2-CD2 4.33Å; P16-L25 WeakPolarHBondContact O-CD1 3.4Å; T23-L25 PolarHBondContact O-N 3.12Å; T23-L25 VanDerWaalsContact O-N 3.16Å; L25-I27 HydrophobicContact CD2-CD1 3.97Å; L25-I27 HydrophobicContact CD2-CG1 3.68Å; L25-I27 HydrophobicContact CG-CG1 4.27Å; L25-I44 HydrophobicContact CD2-CD1 4.42Å; L25-T62 CarbonylContact O-C 3.6Å; L25-T62 WeakPolarHBondContact O-CA 3.47Å; L25-T62 WeakPolarHBondContact O-CB 3.44Å; L25-A63 WeakPolarHBondContact CB-O 3.14Å; L25-A63 PolarHBondContact N-O 3.25Å; L25-A63 PolarHBondContact O-N 3.3Å; L25-T65 HydrophobicContact CB-CG2 4.06Å; L25-T65 HydrophobicContact CD1-CG2 4.46Å; L25-I74 HydrophobicContact CD2-CD1 3.42Å; L25-I74 VanDerWaalsContact CD2-CD1 3.42Å; L25-I74 HydrophobicContact CD2-CG1 4.37Å; L25-Y90 HydrophobicContact CD1-CD2 3.32Å; L25-Y90 HydrophobicContact CD1-CE2 3.35Å; L25-Y90 HydrophobicContact CD1-CG 4Å
26	T	93.6	Very high	88	Confident	29 Å²	29	52.4 Å²	52.4	18%	0.178	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	115.4	168.9	-56.5	0	0	0	0	109.2	I14 S15 R28 K60 T62	I14-T26 CarbonylContact C-O 3.5Å; I14-T26 VanDerWaalsContact CA-O 3.3Å; I14-T26 WeakPolarHBondContact CA-O 3.46Å; S15-T26 PolarHBondContact N-O 3.45Å; S15-T26 WeakPolarHBondContact O-CB 3.48Å; S15-T26 PolarHBondContact O-N 3.08Å; T26-R28 HydrophobicContact CG2-CG 4.34Å; T26-K60 HydrophobicContact CG2-CD 4.41Å; T26-K60 HydrophobicContact CG2-CG 4.18Å; T26-T62 HydrophobicContact CG2-CG2 4.27Å
27	I	92.8	Very high	87.7	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	122.6	-179.5	-65.6	163.4	0	0	0	108	V11 I14 L25 L32 V42 K60 L61 A63 I74	V11-I27 HydrophobicContact CB-CG2 4.29Å; V11-I27 HydrophobicContact CG1-CG2 3.67Å; V11-I27 HydrophobicContact CG2-CG2 3.64Å; I14-I27 HydrophobicContact CG2-CG1 4.27Å; L25-I27 HydrophobicContact CD2-CD1 3.97Å; L25-I27 HydrophobicContact CD2-CG1 3.68Å; L25-I27 HydrophobicContact CG-CG1 4.27Å; I27-L32 HydrophobicContact CG2-CD1 4.49Å; I27-V42 HydrophobicContact CD1-CG1 4.29Å; I27-K60 WeakPolarHBondContact O-CA 3.39Å; I27-L61 HydrophobicContact CB-CD1 3.64Å; I27-L61 HydrophobicContact CB-CG 3.8Å; I27-L61 HydrophobicContact CD1-CD1 3.43Å; I27-L61 VanDerWaalsContact CD1-CD1 3.43Å; I27-L61 HydrophobicContact CD1-CG 4.48Å; I27-L61 HydrophobicContact CG1-CD1 4.04Å; I27-L61 HydrophobicContact CG2-CD1 4.08Å; I27-L61 HydrophobicContact CG2-CD2 4.28Å; I27-L61 HydrophobicContact CG2-CG 3.99Å; I27-L61 PolarHBondContact N-O 3.1Å; I27-L61 PolarHBondContact O-N 2.88Å; I27-L61 VanDerWaalsContact O-O 3.07Å; I27-A63 HydrophobicContact CD1-CB 4.44Å; I27-I74 HydrophobicContact CD1-CG2 3.64Å; I27-I74 HydrophobicContact CG1-CD1 4.49Å; I27-I74 HydrophobicContact CG1-CG2 4.28Å
28	R	93.2	Very high	87.7	Confident	144 Å²	144	50.5 Å²	50.5	54%	0.543	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	140.1	179.8	-59.7	-176.5	-174.6	-171.7	2.3	109.5	N12 G13 T26 K59	N12-R28 PolarHBondContact N-O 3.29Å; G13-R28 PolarHBondContact N-O 3.47Å; G13-R28 WeakPolarHBondContact O-CA 3.49Å; G13-R28 PolarHBondContact O-N 3.1Å; G13-R28 VanDerWaalsContact O-O 3.07Å; T26-R28 HydrophobicContact CG2-CG 4.34Å; R28-K59 WeakPolarHBondContact CA-O 3.46Å
29	G	91.8	Very high	87.7	Confident	7 Å²	7	45.6 Å²	45.6	7%	0.072	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.1	-160.7	-172.5	0	0	0	0	0	112.6	Q10 K59	Q10-G29 CarbonylContact O-C 3.51Å; Q10-G29 WeakPolarHBondContact O-CA 3.44Å; G29-K59 PolarHBondContact N-O 2.82Å; G29-K59 WeakPolarHBondContact O-CA 3.39Å; G29-K59 WeakPolarHBondContact O-CB 3.42Å
30	E	89.6	Confident	87.7	Confident	91 Å²	91	48.7 Å²	48.7	43%	0.425	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	148.9	173.3	-60.6	-168.9	157	0	0	109.1	Q10 L32	Q10-E30 PolarHBondContact N-O 3.36Å; Q10-E30 PolarHBondContact O-N 3.07Å; E30-L32 VanDerWaalsContact C-N 3.28Å; E30-L32 PolarHBondContact O-N 2.87Å
31	N	89.6	Confident	87.9	Confident	62 Å²	62	50.5 Å²	50.5	33%	0.332	28%	0.278	S	S	.	.			trans	55.4	36.9	179.5	-49.8	-42.9	0	0	0	114.5	P7 P9 G33 P58	P7-N31 WeakPolarHBondContact CB-ND2 3.25Å; P7-N31 HydrophobicContact CG-CB 4.27Å; P7-N31 VanDerWaalsContact CG-CG 3.45Å; P7-N31 WeakPolarHBondContact CG-ND2 3.28Å; P9-N31 WeakPolarHBondContact CA-O 3.24Å; P9-N31 WeakPolarHBondContact CB-O 3.27Å; P9-N31 WeakPolarHBondContact CG-O 3.42Å; N31-G33 PolarHBondContact O-N 2.93Å; N31-P58 PolarHBondContact N-O 3.48Å
32	L	86.9	Confident	88.3	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.278	C	S	.	.	S	Bend	trans	-76	32	176.1	-56.6	179.2	0	0	0	112.9	P9 V11 I27 E30 W55 P58 L61 V76	P9-L32 HydrophobicContact CB-CD2 4.08Å; V11-L32 HydrophobicContact CG2-CD2 4.09Å; I27-L32 HydrophobicContact CG2-CD1 4.49Å; E30-L32 VanDerWaalsContact C-N 3.28Å; E30-L32 PolarHBondContact O-N 2.87Å; L32-W55 PolarHBondContact O-NE1 3.21Å; L32-P58 WeakPolarHBondContact CB-O 3.43Å; L32-P58 PolarHBondContact N-O 2.89Å; L32-L61 HydrophobicContact CB-CD2 4.05Å; L32-L61 HydrophobicContact CD1-CD2 3.82Å; L32-L61 HydrophobicContact CD1-CG 4.26Å; L32-L61 HydrophobicContact CD2-CD2 4.23Å; L32-L61 HydrophobicContact CG-CD2 4.26Å; L32-V76 HydrophobicContact CD2-CB 4.39Å; L32-V76 HydrophobicContact CD2-CG1 4.28Å; L32-V76 HydrophobicContact CD2-CG2 4.29Å
33	G	86.6	Confident	88.6	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.01	28%	0.278	C	S	.	.			trans	90.8	149.7	-175.7	0	0	0	0	0	113.6	N31 D38 W55 P58	N31-G33 PolarHBondContact O-N 2.93Å; G33-D38 WeakPolarHBondContact CA-OD2 3.44Å; G33-W55 WeakPolarHBondContact O-CZ2 3.43Å; G33-W55 PolarHBondContact O-NE1 3.36Å; G33-P58 VanDerWaalsContact O-CA 3.31Å; G33-P58 WeakPolarHBondContact O-CA 3.35Å; G33-P58 WeakPolarHBondContact O-CB 3.37Å
34	N	84.3	Confident	88.8	Confident	107 Å²	107	50.9 Å²	50.9	57%	0.572	27%	0.269	S	S	*	.	S	Bend	trans	-84.3	-29.3	-177.8	-68.7	-41.3	0	0	0	113.1	D38 W55	N34-D38 PolarHBondContact N-OD2 2.82Å; N34-W55 WeakPolarHBondContact O-CH2 3.39Å; N34-W55 WeakPolarHBondContact O-CZ2 3.42Å
35	T	83.7	Confident	88.5	Confident	69 Å²	69	47 Å²	47	42%	0.423	26%	0.263	S	S	.	.	S	Bend	trans	-139.6	162.8	178.7	59.6	0	0	0	0	109.9	S37 D38	T35-S37 PolarHBondContact O-N 2.7Å; T35-S37 PolarHBondContact OG1-OG 3.1Å; T35-D38 WeakPolarHBondContact O-CB 3.37Å; T35-D38 PolarHBondContact O-N 3Å
36	A	83.4	Confident	88.3	Confident	65 Å²	65	50 Å²	50	54%	0.537	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-59.1	-31.4	176.7	0	0	0	0	0	113.2	D38 L39 W55	A36-D38 VanDerWaalsContact C-N 3.28Å; A36-D38 PolarHBondContact O-N 3.15Å; A36-L39 PolarHBondContact O-N 2.88Å; A36-W55 HydrophobicContact CB-CB 4.17Å; A36-W55 HydrophobicContact CB-CD2 4.41Å; A36-W55 HydrophobicContact CB-CE3 4.04Å
37	S	85.1	Confident	87.8	Confident	107 Å²	107	52.8 Å²	52.8	75%	0.748	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-73.5	-14.3	175.3	38.7	0	0	0	0	114.5	T35 L39	T35-S37 PolarHBondContact O-N 2.7Å; T35-S37 PolarHBondContact OG1-OG 3.1Å; S37-L39 VanDerWaalsContact C-N 3.34Å
38	D	88	Confident	87.7	Confident	14 Å²	14	56 Å²	56	8%	0.075	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-81	-17.2	176.9	-169.2	19.8	0	0	0	112	G33 N34 T35 A36 L40 T78 D79 S80	G33-D38 WeakPolarHBondContact CA-OD2 3.44Å; N34-D38 PolarHBondContact N-OD2 2.82Å; T35-D38 WeakPolarHBondContact O-CB 3.37Å; T35-D38 PolarHBondContact O-N 3Å; A36-D38 VanDerWaalsContact C-N 3.28Å; A36-D38 PolarHBondContact O-N 3.15Å; D38-L40 PolarHBondContact O-N 3.29Å; D38-T78 CarbonylContact O-C 3.48Å; D38-T78 WeakPolarHBondContact O-CA 3.49Å; D38-T78 WeakPolarHBondContact O-CB 3.3Å; D38-D79 PolarHBondContact O-N 3.38Å; D38-D79 WeakPolarHBondContact OD1-CB 3.4Å; D38-D79 PolarHBondContact OD1-N 2.93Å; D38-S80 VanDerWaalsContact CG-OG 3.3Å; D38-S80 WeakPolarHBondContact OD1-CB 3.32Å; D38-S80 PolarHBondContact OD1-N 2.93Å; D38-S80 PolarHBondContact OD1-OG 3.08Å; D38-S80 VanDerWaalsContact OD2-CB 3.3Å; D38-S80 WeakPolarHBondContact OD2-CB 3.47Å; D38-S80 PolarHBondContact OD2-OG 2.86Å
39	L	87.7	Confident	87.3	Confident	29 Å²	29	49.8 Å²	49.8	15%	0.152	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	111.9	177.6	-174.6	69.7	0	0	0	110.1	A36 S37 V42 A53 W55 V76 T78	A36-L39 PolarHBondContact O-N 2.88Å; S37-L39 VanDerWaalsContact C-N 3.34Å; L39-V42 HydrophobicContact CD1-CG2 3.84Å; L39-V42 HydrophobicContact CD2-CG2 4Å; L39-V42 HydrophobicContact CG-CG2 4.19Å; L39-A53 HydrophobicContact CD2-CB 4.2Å; L39-W55 HydrophobicContact CD2-CB 4.29Å; L39-V76 HydrophobicContact CD1-CG1 3.61Å; L39-T78 HydrophobicContact CD1-CG2 4.34Å
40	L	87	Confident	86.9	Confident	85 Å²	85	50.6 Å²	50.6	45%	0.445	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-56.3	-179	-68.8	171	0	0	0	111.7	D38 V77 D79	D38-L40 PolarHBondContact O-N 3.29Å; L40-V77 HydrophobicContact CB-CG1 4.49Å; L40-V77 HydrophobicContact CD1-CG1 4.49Å; L40-V77 PolarHBondContact N-O 3.39Å; L40-D79 HydrophobicContact CD1-CB 4.07Å; L40-D79 HydrophobicContact CG-CB 4.32Å
41	H	88.6	Confident	86.6	Confident	76 Å²	76	58.4 Å²	58.4	35%	0.352	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	147	-175.2	-60.6	-73.8	0	0	0	111.2	F43 D48 V77	H41-F43 HydrophobicContact CB-CD2 4.14Å; H41-F43 HydrophobicContact CB-CE2 3.48Å; H41-F43 VanDerWaalsContact CB-CE2 3.48Å; H41-F43 HydrophobicContact CB-CZ 3.9Å; H41-D48 IonicContact CE1-OD2 3.44Å; H41-D48 IonicContact CG-OD2 3.89Å; H41-D48 IonicContact ND1-OD1 3.79Å; H41-D48 IonicContact ND1-OD2 3.11Å; H41-D48 PolarHBondContact ND1-OD2 3.45Å; H41-V77 HydrophobicContact CB-CB 4.19Å; H41-V77 HydrophobicContact CB-CG2 4.41Å; H41-V77 PolarHBondContact N-O 3.29Å; H41-V77 PolarHBondContact O-N 3.3Å
42	V	91.8	Very high	86.4	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	108.9	170.4	179.3	0	0	0	0	106.5	I27 L39 D48 V49 A53 L61 A63	I27-V42 HydrophobicContact CD1-CG1 4.29Å; L39-V42 HydrophobicContact CD1-CG2 3.84Å; L39-V42 HydrophobicContact CD2-CG2 4Å; L39-V42 HydrophobicContact CG-CG2 4.19Å; V42-D48 PolarHBondContact N-OD1 2.64Å; V42-V49 HydrophobicContact CB-CG2 4.2Å; V42-V49 HydrophobicContact CG1-CG2 3.99Å; V42-V49 WeakPolarHBondContact O-CG2 3.38Å; V42-V49 PolarHBondContact O-N 3.07Å; V42-A53 HydrophobicContact CB-CB 4.19Å; V42-A53 HydrophobicContact CG2-CB 3.79Å; V42-L61 HydrophobicContact CG1-CD1 4.42Å; V42-L61 HydrophobicContact CG2-CD1 4.4Å; V42-A63 HydrophobicContact CG1-CB 4.36Å
43	F	90.8	Very high	86.5	Confident	64 Å²	64	58.5 Å²	58.5	28%	0.281	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	132.6	177.4	-63.1	-84.3	0	0	0	109.9	H41 I47 D48 I74 V75 V77	H41-F43 HydrophobicContact CB-CD2 4.14Å; H41-F43 HydrophobicContact CB-CE2 3.48Å; H41-F43 VanDerWaalsContact CB-CE2 3.48Å; H41-F43 HydrophobicContact CB-CZ 3.9Å; F43-I47 WeakPolarHBondContact CA-O 3.4Å; F43-D48 HydrophobicContact CD1-CB 3.96Å; F43-D48 HydrophobicContact CE1-CB 3.65Å; F43-D48 HydrophobicContact CZ-CB 4.32Å; F43-I74 CarbonylContact O-C 3.59Å; F43-I74 WeakPolarHBondContact O-CA 3.38Å; F43-V75 HydrophobicContact CB-CB 4.24Å; F43-V75 PolarHBondContact N-O 3.35Å; F43-V75 PolarHBondContact O-N 3.04Å; F43-V77 HydrophobicContact CD2-CG2 4.15Å; F43-V77 HydrophobicContact CE2-CG2 3.94Å
44	I	90.1	Very high	86.8	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	110.3	168	-59.2	-178.2	0	0	0	106.5	L25 G46 I47 V49 A63 T65 P66 L72 E73 I74	L25-I44 HydrophobicContact CD2-CD1 4.42Å; I44-G46 VanDerWaalsContact C-N 3.3Å; I44-G46 PolarHBondContact O-N 3.36Å; I44-I47 PolarHBondContact N-O 3Å; I44-I47 PolarHBondContact O-N 2.72Å; I44-V49 HydrophobicContact CB-CG2 4.35Å; I44-V49 HydrophobicContact CD1-CG2 3.66Å; I44-V49 HydrophobicContact CG1-CG2 3.67Å; I44-A63 HydrophobicContact CD1-CB 4.19Å; I44-T65 HydrophobicContact CD1-CG2 4.38Å; I44-P66 HydrophobicContact CB-CG 4.21Å; I44-P66 HydrophobicContact CG2-CG 4.25Å; I44-L72 HydrophobicContact CG2-CB 3.78Å; I44-L72 HydrophobicContact CG2-CD1 3.93Å; I44-L72 HydrophobicContact CG2-CG 4.47Å; I44-E73 CarbonylContact C-O 3.59Å; I44-E73 WeakPolarHBondContact CA-O 3.46Å; I44-I74 HydrophobicContact CG1-CG1 4.28Å
45	G	84.5	Confident	87.2	Confident	37 Å²	37	61 Å²	61	38%	0.381	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	64	30.1	-176	0	0	0	0	0	114.5	I47 E73	G45-I47 VanDerWaalsContact C-N 3.3Å; G45-I47 PolarHBondContact O-N 3.37Å; G45-E73 PolarHBondContact N-O 2.79Å
46	G	84.2	Confident	87.5	Confident	63 Å²	63	62.4 Å²	62.4	65%	0.649	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.9	-5	-178.1	0	0	0	0	0	115.2	I44	I44-G46 VanDerWaalsContact C-N 3.3Å; I44-G46 PolarHBondContact O-N 3.36Å
47	I	84.8	Confident	87.9	Confident	88 Å²	88	61.2 Å²	61.2	45%	0.451	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	127.2	174.8	-58.7	173	0	0	0	109.2	F43 I44 G45 V49 P66	F43-I47 WeakPolarHBondContact CA-O 3.4Å; I44-I47 PolarHBondContact N-O 3Å; I44-I47 PolarHBondContact O-N 2.72Å; G45-I47 VanDerWaalsContact C-N 3.3Å; G45-I47 PolarHBondContact O-N 3.37Å; I47-V49 PolarHBondContact O-N 3.42Å; I47-P66 HydrophobicContact CB-CB 4.25Å; I47-P66 HydrophobicContact CB-CG 4.27Å; I47-P66 HydrophobicContact CD1-CB 4Å; I47-P66 HydrophobicContact CD1-CG 4.26Å; I47-P66 HydrophobicContact CG2-CB 4.12Å
48	D	89	Confident	88	Confident	67 Å²	67	58.5 Å²	58.5	36%	0.358	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	110	176	-174.3	16.1	0	0	0	110.9	H41 V42 F43 G50	H41-D48 IonicContact CE1-OD2 3.44Å; H41-D48 IonicContact CG-OD2 3.89Å; H41-D48 IonicContact ND1-OD1 3.79Å; H41-D48 IonicContact ND1-OD2 3.11Å; H41-D48 PolarHBondContact ND1-OD2 3.45Å; V42-D48 PolarHBondContact N-OD1 2.64Å; F43-D48 HydrophobicContact CD1-CB 3.96Å; F43-D48 HydrophobicContact CE1-CB 3.65Å; F43-D48 HydrophobicContact CZ-CB 4.32Å; D48-G50 WeakPolarHBondContact OD1-CA 3.3Å; D48-G50 PolarHBondContact OD1-N 2.8Å
49	V	86.9	Confident	88.2	Confident	13 Å²	13	64.4 Å²	64.4	8%	0.079	34%	0.342	C	S	.	.			trans	-100.8	18.4	172.6	-63.4	0	0	0	0	112	V42 I44 I47 R51 S52 A53 A63 P66	V42-V49 HydrophobicContact CB-CG2 4.2Å; V42-V49 HydrophobicContact CG1-CG2 3.99Å; V42-V49 WeakPolarHBondContact O-CG2 3.38Å; V42-V49 PolarHBondContact O-N 3.07Å; I44-V49 HydrophobicContact CB-CG2 4.35Å; I44-V49 HydrophobicContact CD1-CG2 3.66Å; I44-V49 HydrophobicContact CG1-CG2 3.67Å; I47-V49 PolarHBondContact O-N 3.42Å; V49-R51 PolarHBondContact O-N 3.41Å; V49-S52 PolarHBondContact O-N 2.86Å; V49-S52 PolarHBondContact O-OG 3.18Å; V49-A53 PolarHBondContact O-N 2.94Å; V49-A53 VanDerWaalsContact O-N 3.1Å; V49-A63 HydrophobicContact CG2-CB 3.95Å; V49-P66 HydrophobicContact CG1-CB 4.07Å; V49-P66 HydrophobicContact CG1-CG 4.19Å
50	G	83.1	Confident	88.5	Confident	25 Å²	25	66.9 Å²	66.9	26%	0.258	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-32.1	178.3	0	0	0	0	0	113.7	D48 S52 A53	D48-G50 WeakPolarHBondContact OD1-CA 3.3Å; D48-G50 PolarHBondContact OD1-N 2.8Å; G50-S52 VanDerWaalsContact C-N 3.34Å; G50-S52 PolarHBondContact O-N 3.33Å; G50-A53 PolarHBondContact O-N 3.17Å
51	R	83.2	Confident	88.7	Confident	254 Å²	254	62.8 Å²	62.8	96%	0.958	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-27.2	175.9	-64.6	-171.7	-178.3	-180	1.5	114.6	V49	V49-R51 PolarHBondContact O-N 3.41Å
52	S	85.6	Confident	89	Confident	43 Å²	43	59.5 Å²	59.5	30%	0.301	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-5.2	176.8	77.5	0	0	0	0	112.6	V49 G50 I64	V49-S52 PolarHBondContact O-N 2.86Å; V49-S52 PolarHBondContact O-OG 3.18Å; G50-S52 VanDerWaalsContact C-N 3.34Å; G50-S52 PolarHBondContact O-N 3.33Å; S52-I64 PolarHBondContact OG-N 3.46Å; S52-I64 VanDerWaalsContact OG-N 3.12Å; S52-I64 PolarHBondContact OG-O 2.94Å
53	A	89	Confident	88.9	Confident	22 Å²	22	59.6 Å²	59.6	18%	0.182	32%	0.316	C	S	.	.			trans	-75.6	134.2	179.7	0	0	0	0	0	111.1	L39 V42 V49 G50 T62 A63	L39-A53 HydrophobicContact CD2-CB 4.2Å; V42-A53 HydrophobicContact CB-CB 4.19Å; V42-A53 HydrophobicContact CG2-CB 3.79Å; V49-A53 PolarHBondContact O-N 2.94Å; V49-A53 VanDerWaalsContact O-N 3.1Å; G50-A53 PolarHBondContact O-N 3.17Å; A53-T62 CarbonylContact C-O 3.47Å; A53-T62 VanDerWaalsContact CA-O 3.26Å; A53-T62 WeakPolarHBondContact CA-O 3.49Å; A53-A63 HydrophobicContact CB-CB 4.24Å
54	Q	91.2	Very high	88.9	Confident	103 Å²	103	60.3 Å²	60.3	48%	0.481	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	115.4	176.7	-168.3	171.9	29.1	0	0	108.8	F56 L61 T62	Q54-F56 HydrophobicContact CB-CE2 4.2Å; Q54-F56 HydrophobicContact CB-CZ 4.5Å; Q54-F56 HydrophobicContact CG-CE2 4.09Å; Q54-F56 HydrophobicContact CG-CZ 4Å; Q54-F56 WeakPolarHBondContact O-CD2 3.47Å; Q54-L61 CarbonylContact O-C 3.56Å; Q54-L61 WeakPolarHBondContact O-CA 3.48Å; Q54-T62 PolarHBondContact N-O 3.14Å; Q54-T62 PolarHBondContact O-N 3.49Å
55	W	92.8	Very high	88.9	Confident	58 Å²	58	60.6 Å²	60.6	22%	0.22	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	133.9	176.8	-175.9	95.1	0	0	0	110.4	L32 G33 N34 A36 L39 S57 P58	L32-W55 PolarHBondContact O-NE1 3.21Å; G33-W55 WeakPolarHBondContact O-CZ2 3.43Å; G33-W55 PolarHBondContact O-NE1 3.36Å; N34-W55 WeakPolarHBondContact O-CH2 3.39Å; N34-W55 WeakPolarHBondContact O-CZ2 3.42Å; A36-W55 HydrophobicContact CB-CB 4.17Å; A36-W55 HydrophobicContact CB-CD2 4.41Å; A36-W55 HydrophobicContact CB-CE3 4.04Å; L39-W55 HydrophobicContact CD2-CB 4.29Å; W55-S57 VanDerWaalsContact CZ2-C 3.45Å; W55-P58 HydrophobicContact CZ2-CG 4.02Å
56	F	90.7	Very high	88.9	Confident	98 Å²	98	59.8 Å²	59.8	43%	0.43	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	-41	177.2	-70.4	-83.5	0	0	0	112.9	Q54 K60 T62	Q54-F56 HydrophobicContact CB-CE2 4.2Å; Q54-F56 HydrophobicContact CB-CZ 4.5Å; Q54-F56 HydrophobicContact CG-CE2 4.09Å; Q54-F56 HydrophobicContact CG-CZ 4Å; Q54-F56 WeakPolarHBondContact O-CD2 3.47Å; F56-K60 HydrophobicContact CB-CB 4.48Å; F56-K60 PolarHBondContact N-O 3.43Å; F56-T62 HydrophobicContact CD2-CG2 4.17Å; F56-T62 HydrophobicContact CE2-CG2 3.57Å; F56-T62 WeakPolarHBondContact CE2-OG1 3.09Å
57	S	91	Very high	88.7	Confident	40 Å²	40	62.5 Å²	62.5	28%	0.28	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	165.9	-179.8	67.1	0	0	0	0	108.9	W55 K59 K60	W55-S57 VanDerWaalsContact CZ2-C 3.45Å; S57-K59 PolarHBondContact O-N 3.29Å; S57-K59 PolarHBondContact OG-N 3.44Å; S57-K60 PolarHBondContact N-O 3.5Å; S57-K60 VanDerWaalsContact N-O 3.08Å; S57-K60 CarbonylContact O-C 3.57Å; S57-K60 PolarHBondContact O-N 3.25Å; S57-K60 WeakPolarHBondContact OG-CB 3.31Å; S57-K60 PolarHBondContact OG-N 3.08Å
58	P	88.9	Confident	88.3	Confident	50 Å²	50	59.5 Å²	59.5	33%	0.325	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-11.9	173.2	-23.7	33.4	0	0	0	114.4	N31 L32 G33 W55	N31-P58 PolarHBondContact N-O 3.48Å; L32-P58 WeakPolarHBondContact CB-O 3.43Å; L32-P58 PolarHBondContact N-O 2.89Å; G33-P58 VanDerWaalsContact O-CA 3.31Å; G33-P58 WeakPolarHBondContact O-CA 3.35Å; G33-P58 WeakPolarHBondContact O-CB 3.37Å; W55-P58 HydrophobicContact CZ2-CG 4.02Å
59	K	92	Very high	87.9	Confident	137 Å²	137	61.9 Å²	61.9	60%	0.596	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	-4.6	178	-60.1	-170.8	177.9	-168.2	0	114.8	R28 G29 S57	R28-K59 WeakPolarHBondContact CA-O 3.46Å; G29-K59 PolarHBondContact N-O 2.82Å; G29-K59 WeakPolarHBondContact O-CA 3.39Å; G29-K59 WeakPolarHBondContact O-CB 3.42Å; S57-K59 PolarHBondContact O-N 3.29Å; S57-K59 PolarHBondContact OG-N 3.44Å
60	K	93.4	Very high	87.8	Confident	81 Å²	81	62.8 Å²	62.8	35%	0.352	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	130.1	-171.6	-172.5	-176.7	177.3	-174.5	0	113	T26 I27 F56 S57	T26-K60 HydrophobicContact CG2-CD 4.41Å; T26-K60 HydrophobicContact CG2-CG 4.18Å; I27-K60 WeakPolarHBondContact O-CA 3.39Å; F56-K60 HydrophobicContact CB-CB 4.48Å; F56-K60 PolarHBondContact N-O 3.43Å; S57-K60 PolarHBondContact N-O 3.5Å; S57-K60 VanDerWaalsContact N-O 3.08Å; S57-K60 CarbonylContact O-C 3.57Å; S57-K60 PolarHBondContact O-N 3.25Å; S57-K60 WeakPolarHBondContact OG-CB 3.31Å; S57-K60 PolarHBondContact OG-N 3.08Å
61	L	92.1	Very high	88.1	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	162.5	167.1	65.7	95.6	0	0	0	110.2	I27 L32 V42 Q54 V76	I27-L61 HydrophobicContact CB-CD1 3.64Å; I27-L61 HydrophobicContact CB-CG 3.8Å; I27-L61 HydrophobicContact CD1-CD1 3.43Å; I27-L61 VanDerWaalsContact CD1-CD1 3.43Å; I27-L61 HydrophobicContact CD1-CG 4.48Å; I27-L61 HydrophobicContact CG1-CD1 4.04Å; I27-L61 HydrophobicContact CG2-CD1 4.08Å; I27-L61 HydrophobicContact CG2-CD2 4.28Å; I27-L61 HydrophobicContact CG2-CG 3.99Å; I27-L61 PolarHBondContact N-O 3.1Å; I27-L61 PolarHBondContact O-N 2.88Å; I27-L61 VanDerWaalsContact O-O 3.07Å; L32-L61 HydrophobicContact CB-CD2 4.05Å; L32-L61 HydrophobicContact CD1-CD2 3.82Å; L32-L61 HydrophobicContact CD1-CG 4.26Å; L32-L61 HydrophobicContact CD2-CD2 4.23Å; L32-L61 HydrophobicContact CG-CD2 4.26Å; V42-L61 HydrophobicContact CG1-CD1 4.42Å; V42-L61 HydrophobicContact CG2-CD1 4.4Å; Q54-L61 CarbonylContact O-C 3.56Å; Q54-L61 WeakPolarHBondContact O-CA 3.48Å; L61-V76 HydrophobicContact CD2-CG1 4.01Å; L61-V76 HydrophobicContact CD2-CG2 3.95Å
62	T	93.5	Very high	88.3	Confident	7 Å²	7	55.6 Å²	55.6	4%	0.043	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	143.5	170.3	64.6	0	0	0	0	110.3	K24 L25 T26 A53 Q54 F56	K24-T62 WeakPolarHBondContact CE-OG1 3.43Å; L25-T62 CarbonylContact O-C 3.6Å; L25-T62 WeakPolarHBondContact O-CA 3.47Å; L25-T62 WeakPolarHBondContact O-CB 3.44Å; T26-T62 HydrophobicContact CG2-CG2 4.27Å; A53-T62 CarbonylContact C-O 3.47Å; A53-T62 VanDerWaalsContact CA-O 3.26Å; A53-T62 WeakPolarHBondContact CA-O 3.49Å; Q54-T62 PolarHBondContact N-O 3.14Å; Q54-T62 PolarHBondContact O-N 3.49Å; F56-T62 HydrophobicContact CD2-CG2 4.17Å; F56-T62 HydrophobicContact CE2-CG2 3.57Å; F56-T62 WeakPolarHBondContact CE2-OG1 3.09Å
63	A	91	Very high	88.5	Confident	1 Å²	1	59 Å²	59	1%	0.008	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	157.6	174.3	0	0	0	0	0	110	L25 I27 V42 I44 V49 A53	L25-A63 WeakPolarHBondContact CB-O 3.14Å; L25-A63 PolarHBondContact N-O 3.25Å; L25-A63 PolarHBondContact O-N 3.3Å; I27-A63 HydrophobicContact CD1-CB 4.44Å; V42-A63 HydrophobicContact CG1-CB 4.36Å; I44-A63 HydrophobicContact CD1-CB 4.19Å; V49-A63 HydrophobicContact CG2-CB 3.95Å; A53-A63 HydrophobicContact CB-CB 4.24Å
64	I	90.8	Very high	88.5	Confident	80 Å²	80	58 Å²	58	41%	0.41	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	129.8	174.8	-59.5	177.7	0	0	0	108	S52	S52-I64 PolarHBondContact OG-N 3.46Å; S52-I64 VanDerWaalsContact OG-N 3.12Å; S52-I64 PolarHBondContact OG-O 2.94Å
65	T	88.6	Confident	88.5	Confident	5 Å²	5	54.4 Å²	54.4	3%	0.031	28%	0.282	C	S	.	.			trans	-69.7	140.6	-176.7	63.7	0	0	0	0	111.6	T20 G22 T23 L25 I44 Y90 Q92	T20-T65 PolarHBondContact O-OG1 3.46Å; G22-T65 PolarHBondContact N-O 3.33Å; G22-T65 VanDerWaalsContact N-O 3.14Å; G22-T65 PolarHBondContact N-OG1 3.28Å; T23-T65 PolarHBondContact N-OG1 3.44Å; T23-T65 PolarHBondContact O-N 3.2Å; T23-T65 VanDerWaalsContact O-N 3.11Å; L25-T65 HydrophobicContact CB-CG2 4.06Å; L25-T65 HydrophobicContact CD1-CG2 4.46Å; I44-T65 HydrophobicContact CD1-CG2 4.38Å; T65-Y90 HydrophobicContact CG2-CD1 4.01Å; T65-Y90 HydrophobicContact CG2-CE1 3.44Å; T65-Y90 VanDerWaalsContact CG2-CE1 3.44Å; T65-Q92 PolarHBondContact OG1-OE1 3.26Å
66	P	85.7	Confident	88.4	Confident	20 Å²	20	51.7 Å²	51.7	13%	0.13	27%	0.271	C	S	.	.			trans	-75.1	178.3	-178	32.5	-34.5	0	0	0	111.6	I44 I47 V49 Q92	I44-P66 HydrophobicContact CB-CG 4.21Å; I44-P66 HydrophobicContact CG2-CG 4.25Å; I47-P66 HydrophobicContact CB-CB 4.25Å; I47-P66 HydrophobicContact CB-CG 4.27Å; I47-P66 HydrophobicContact CD1-CB 4Å; I47-P66 HydrophobicContact CD1-CG 4.26Å; I47-P66 HydrophobicContact CG2-CB 4.12Å; V49-P66 HydrophobicContact CG1-CB 4.07Å; V49-P66 HydrophobicContact CG1-CG 4.19Å; P66-Q92 PolarHBondContact O-NE2 3.39Å
67	L	79.5	Confident	88.4	Confident	120 Å²	120	48 Å²	48	63%	0.628	26%	0.257	S	S	*	.	S	Bend	trans	-73.5	128	169.5	-74.3	149.1	0	0	0	109.6	P21 M94	P21-L67 HydrophobicContact CB-CD2 4.34Å; L67-M94 HydrophobicContact CD2-CE 4.16Å
68	G	77.4	Confident	88.3	Confident	26 Å²	26	46.2 Å²	46.2	27%	0.268	24%	0.244	S	C	.	.			trans	164.9	169.1	-179.1	0	0	0	0	0	112.5	Q92	G68-Q92 PolarHBondContact O-NE2 3.33Å
69	E	78.6	Confident	88.2	Confident	116 Å²	116	48.5 Å²	48.5	54%	0.542	25%	0.254	S	S	.	.			trans	-128.1	151.4	173.8	-79	-166.4	139.6	0	0	110.6	M94	E69-M94 HydrophobicContact CG-CB 3.57Å; E69-M94 HydrophobicContact CG-SD 4.5Å; E69-M94 WeakPolarHBondContact OE1-CB 3.46Å; E69-M94 PolarHBondContact OE1-N 3.08Å
70	G	85.5	Confident	87.8	Confident	32 Å²	32	43.1 Å²	43.1	33%	0.33	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	105.4	-158.9	172.6	0	0	0	0	0	113.7	L72 Q92	G70-L72 PolarHBondContact O-N 2.86Å; G70-Q92 PolarHBondContact N-O 2.72Å; G70-Q92 PolarHBondContact O-N 3.31Å
71	E	88.9	Confident	87.2	Confident	110 Å²	110	39.6 Å²	39.6	51%	0.514	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	106.3	-178.5	-82.2	-179.1	-167.3	0	0	109.7	I89 R91	E71-I89 HydrophobicContact CB-CG2 3.67Å; E71-I89 HydrophobicContact CG-CG2 4.08Å; E71-R91 HydrophobicContact CG-CG 3.58Å; E71-R91 IonicContact OE1-CZ 3.57Å; E71-R91 IonicContact OE1-NE 3.71Å; E71-R91 PolarHBondContact OE1-NE 2.92Å; E71-R91 IonicContact OE1-NH2 2.75Å; E71-R91 PolarHBondContact OE1-NH2 3.24Å
72	L	87.3	Confident	87	Confident	19 Å²	19	40.5 Å²	40.5	10%	0.099	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	116.4	-177.7	-55.6	174.7	0	0	0	109.4	I44 G70 Y90 Q92	I44-L72 HydrophobicContact CG2-CB 3.78Å; I44-L72 HydrophobicContact CG2-CD1 3.93Å; I44-L72 HydrophobicContact CG2-CG 4.47Å; G70-L72 PolarHBondContact O-N 2.86Å; L72-Y90 HydrophobicContact CD1-CD1 4.24Å; L72-Y90 PolarHBondContact N-O 3.07Å; L72-Y90 PolarHBondContact O-N 3.3Å; L72-Q92 HydrophobicContact CD1-CB 3.71Å; L72-Q92 HydrophobicContact CD1-CG 4.44Å; L72-Q92 HydrophobicContact CG-CB 4.33Å
73	E	89.7	Confident	86.7	Confident	114 Å²	114	46 Å²	46	53%	0.533	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	142.6	171	-172.5	179.1	-169.9	0	0	110.5	I44 G45 V75	I44-E73 CarbonylContact C-O 3.59Å; I44-E73 WeakPolarHBondContact CA-O 3.46Å; G45-E73 PolarHBondContact N-O 2.79Å; E73-V75 HydrophobicContact CG-CG2 4.15Å
74	I	90.3	Very high	86.5	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	119.3	-179.7	-61.9	161.5	0	0	0	108.7	I14 L25 I27 F43 I44 V76 A86	I14-I74 HydrophobicContact CD1-CD1 4.15Å; I14-I74 HydrophobicContact CG2-CD1 3.61Å; L25-I74 HydrophobicContact CD2-CD1 3.42Å; L25-I74 VanDerWaalsContact CD2-CD1 3.42Å; L25-I74 HydrophobicContact CD2-CG1 4.37Å; I27-I74 HydrophobicContact CD1-CG2 3.64Å; I27-I74 HydrophobicContact CG1-CD1 4.49Å; I27-I74 HydrophobicContact CG1-CG2 4.28Å; F43-I74 CarbonylContact O-C 3.59Å; F43-I74 WeakPolarHBondContact O-CA 3.38Å; I44-I74 HydrophobicContact CG1-CG1 4.28Å; I74-V76 HydrophobicContact CG2-CG2 4.48Å; I74-A86 HydrophobicContact CB-CB 4.48Å; I74-A86 WeakPolarHBondContact O-CB 3.33Å
75	V	91	Very high	86.2	Confident	29 Å²	29	46.8 Å²	46.8	18%	0.176	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	124.3	179.4	-179.6	0	0	0	0	108.9	F43 E73 V77 I83	F43-V75 HydrophobicContact CB-CB 4.24Å; F43-V75 PolarHBondContact N-O 3.35Å; F43-V75 PolarHBondContact O-N 3.04Å; E73-V75 HydrophobicContact CG-CG2 4.15Å; V75-V77 HydrophobicContact CG1-CG2 4.43Å; V75-I83 HydrophobicContact CG1-CG2 3.81Å
76	V	90.9	Very high	86.1	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.006	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	126.7	-179.9	-179.7	0	0	0	0	108.4	P9 V11 L32 L39 L61 I74 T78 G84	P9-V76 HydrophobicContact CB-CB 4.27Å; P9-V76 HydrophobicContact CB-CG1 4.32Å; V11-V76 HydrophobicContact CG2-CG2 3.89Å; L32-V76 HydrophobicContact CD2-CB 4.39Å; L32-V76 HydrophobicContact CD2-CG1 4.28Å; L32-V76 HydrophobicContact CD2-CG2 4.29Å; L39-V76 HydrophobicContact CD1-CG1 3.61Å; L61-V76 HydrophobicContact CD2-CG1 4.01Å; L61-V76 HydrophobicContact CD2-CG2 3.95Å; I74-V76 HydrophobicContact CG2-CG2 4.48Å; V76-T78 HydrophobicContact CG1-CG2 4.25Å; V76-G84 WeakPolarHBondContact O-CA 3.31Å; V76-G84 PolarHBondContact O-N 3.11Å
77	V	90.1	Very high	86.2	Confident	21 Å²	21	50.4 Å²	50.4	13%	0.127	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	124.2	179.1	-172.8	0	0	0	0	109.2	L40 H41 F43 V75 G82 I83	L40-V77 HydrophobicContact CB-CG1 4.49Å; L40-V77 HydrophobicContact CD1-CG1 4.49Å; L40-V77 PolarHBondContact N-O 3.39Å; H41-V77 HydrophobicContact CB-CB 4.19Å; H41-V77 HydrophobicContact CB-CG2 4.41Å; H41-V77 PolarHBondContact N-O 3.29Å; H41-V77 PolarHBondContact O-N 3.3Å; F43-V77 HydrophobicContact CD2-CG2 4.15Å; F43-V77 HydrophobicContact CE2-CG2 3.94Å; V75-V77 HydrophobicContact CG1-CG2 4.43Å; V77-G82 WeakPolarHBondContact CA-O 3.49Å; V77-I83 HydrophobicContact CG1-CG1 4.23Å; V77-I83 HydrophobicContact CG2-CG1 4.25Å; V77-I83 HydrophobicContact CG2-CG2 4.46Å
78	T	89.4	Confident	86.6	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.012	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	153.6	179.5	60	0	0	0	0	110.3	P9 D38 L39 V76 G81 G82	P9-T78 HydrophobicContact CG-CG2 3.75Å; P9-T78 WeakPolarHBondContact CG-OG1 3.41Å; D38-T78 CarbonylContact O-C 3.48Å; D38-T78 WeakPolarHBondContact O-CA 3.49Å; D38-T78 WeakPolarHBondContact O-CB 3.3Å; L39-T78 HydrophobicContact CD1-CG2 4.34Å; V76-T78 HydrophobicContact CG1-CG2 4.25Å; T78-G81 WeakPolarHBondContact OG1-CA 3.45Å; T78-G81 PolarHBondContact OG1-N 3.32Å; T78-G81 VanDerWaalsContact OG1-N 3.13Å; T78-G82 PolarHBondContact N-O 3.07Å; T78-G82 WeakPolarHBondContact O-CA 3.23Å; T78-G82 PolarHBondContact O-N 2.87Å
79	D	85.6	Confident	87.1	Confident	98 Å²	98	49.9 Å²	49.9	52%	0.524	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-37.7	176.4	-169.1	42	0	0	0	111	D38 L40	D38-D79 PolarHBondContact O-N 3.38Å; D38-D79 WeakPolarHBondContact OD1-CB 3.4Å; D38-D79 PolarHBondContact OD1-N 2.93Å; L40-D79 HydrophobicContact CD1-CB 4.07Å; L40-D79 HydrophobicContact CG-CB 4.32Å
80	S	84.3	Confident	87.7	Confident	24 Å²	24	44.3 Å²	44.3	17%	0.168	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-42.2	-178.8	63.9	0	0	0	0	114.6	P4 S5 G6 D38	P4-S80 CarbonylContact C-O 3.59Å; P4-S80 WeakPolarHBondContact CA-O 3.28Å; S5-S80 PolarHBondContact N-O 3.34Å; G6-S80 PolarHBondContact N-O 3.15Å; D38-S80 VanDerWaalsContact CG-OG 3.3Å; D38-S80 WeakPolarHBondContact OD1-CB 3.32Å; D38-S80 PolarHBondContact OD1-N 2.93Å; D38-S80 PolarHBondContact OD1-OG 3.08Å; D38-S80 VanDerWaalsContact OD2-CB 3.3Å; D38-S80 WeakPolarHBondContact OD2-CB 3.47Å; D38-S80 PolarHBondContact OD2-OG 2.86Å
81	G	81.4	Confident	87.9	Confident	7 Å²	7	49.4 Å²	49.4	7%	0.072	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-7.7	-174.4	0	0	0	0	0	114.9	P7 A8 T78	P7-G81 WeakPolarHBondContact O-CA 3.48Å; A8-G81 WeakPolarHBondContact CA-O 3.42Å; T78-G81 WeakPolarHBondContact OG1-CA 3.45Å; T78-G81 PolarHBondContact OG1-N 3.32Å; T78-G81 VanDerWaalsContact OG1-N 3.13Å
82	G	87.8	Confident	87.9	Confident	18 Å²	18	44.1 Å²	44.1	19%	0.186	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	73.9	-144.5	-176.1	0	0	0	0	0	113.1	V77 T78	V77-G82 WeakPolarHBondContact CA-O 3.49Å; T78-G82 PolarHBondContact N-O 3.07Å; T78-G82 WeakPolarHBondContact O-CA 3.23Å; T78-G82 PolarHBondContact O-N 2.87Å
83	I	87.6	Confident	87.6	Confident	124 Å²	124	48 Å²	48	64%	0.636	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	122.8	-177.3	-57.4	172.1	0	0	0	109.5	V75 V77	V75-I83 HydrophobicContact CG1-CG2 3.81Å; V77-I83 HydrophobicContact CG1-CG1 4.23Å; V77-I83 HydrophobicContact CG2-CG1 4.25Å; V77-I83 HydrophobicContact CG2-CG2 4.46Å
84	G	85.8	Confident	86.7	Confident	5 Å²	5	44.8 Å²	44.8	5%	0.052	26%	0.256	C	S	.	.			trans	-86.7	172.6	178.1	0	0	0	0	0	114.8	P9 V76	P9-G84 CarbonylContact O-C 3.51Å; P9-G84 WeakPolarHBondContact O-CA 3.31Å; V76-G84 WeakPolarHBondContact O-CA 3.31Å; V76-G84 PolarHBondContact O-N 3.11Å
85	T	85.1	Confident	85.5	Confident	91 Å²	91	49.1 Å²	49.1	56%	0.558	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126	144.7	175.8	55.6	0	0	0	0	110.5	P9 Q10 V11	P9-T85 PolarHBondContact O-N 3.49Å; Q10-T85 WeakPolarHBondContact CA-O 3.42Å; V11-T85 PolarHBondContact N-O 2.95Å
86	A	86.9	Confident	84.1	Confident	25 Å²	25	58.8 Å²	58.8	21%	0.207	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	135.5	173.8	0	0	0	0	0	112.1	V11 I74 V88	V11-A86 HydrophobicContact CB-CB 3.8Å; V11-A86 HydrophobicContact CG1-CB 4.31Å; V11-A86 HydrophobicContact CG2-CB 4.45Å; I74-A86 HydrophobicContact CB-CB 4.48Å; I74-A86 WeakPolarHBondContact O-CB 3.33Å; A86-V88 VanDerWaalsContact C-N 3.3Å
87	A	86.5	Confident	82.9	Confident	77 Å²	77	65 Å²	65	64%	0.636	35%	0.35	S	S	*	.	S	Bend	trans	-84.3	-7.4	169.8	0	0	0	0	0	112.6	V11	V11-A87 PolarHBondContact O-N 2.93Å
88	V	87.9	Confident	81.7	Confident	43 Å²	43	66 Å²	66	26%	0.261	36%	0.356	S	S	.	.			trans	-130.2	139.7	-173.4	-162.1	0	0	0	0	110.4	N12 I14 A86	N12-V88 WeakPolarHBondContact O-CG2 3.36Å; I14-V88 HydrophobicContact CD1-CB 4.43Å; I14-V88 HydrophobicContact CD1-CG1 3.8Å; I14-V88 HydrophobicContact CG1-CB 4.29Å; I14-V88 HydrophobicContact CG1-CG1 3.69Å; A86-V88 VanDerWaalsContact C-N 3.3Å
89	I	89.3	Confident	80.5	Confident	91 Å²	91	68.8 Å²	68.8	47%	0.467	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	139.6	-179.6	-57.8	170	0	0	0	108.7	E71	E71-I89 HydrophobicContact CB-CG2 3.67Å; E71-I89 HydrophobicContact CG-CG2 4.08Å
90	Y	91.3	Very high	79.4	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	121.2	178.7	177.8	-111.1	0	0	0	112.7	I14 P16 N17 G19 L25 T65 L72 Q92	I14-Y90 HydrophobicContact CD1-CD2 4.09Å; I14-Y90 HydrophobicContact CD1-CG 4.42Å; P16-Y90 WeakPolarHBondContact O-CE2 3.27Å; N17-Y90 WeakPolarHBondContact O-CD2 3.37Å; G19-Y90 WeakPolarHBondContact CA-OH 3.48Å; G19-Y90 PolarHBondContact N-OH 2.85Å; L25-Y90 HydrophobicContact CD1-CD2 3.32Å; L25-Y90 HydrophobicContact CD1-CE2 3.35Å; L25-Y90 HydrophobicContact CD1-CG 4Å; T65-Y90 HydrophobicContact CG2-CD1 4.01Å; T65-Y90 HydrophobicContact CG2-CE1 3.44Å; T65-Y90 VanDerWaalsContact CG2-CE1 3.44Å; L72-Y90 HydrophobicContact CD1-CD1 4.24Å; L72-Y90 PolarHBondContact N-O 3.07Å; L72-Y90 PolarHBondContact O-N 3.3Å; Y90-Q92 HydrophobicContact CD1-CB 4.16Å; Y90-Q92 HydrophobicContact CE1-CB 3.75Å; Y90-Q92 HydrophobicContact CE1-CG 4.18Å; Y90-Q92 PolarHBondContact O-N 2.81Å
91	R	90	Very high	78.5	Confident	138 Å²	138	76.1 Å²	76.1	52%	0.521	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-48.6	83.5	156.9	-41.3	168.8	-178.3	171.3	-2.9	121.5	N17 Q18 G19 E71	N17-R91 PolarHBondContact O-N 3.27Å; Q18-R91 CarbonylContact C-O 3.59Å; Q18-R91 WeakPolarHBondContact CA-O 3.1Å; Q18-R91 HydrophobicContact CB-CB 4.2Å; G19-R91 PolarHBondContact N-O 3Å; E71-R91 HydrophobicContact CG-CG 3.58Å; E71-R91 IonicContact OE1-CZ 3.57Å; E71-R91 IonicContact OE1-NE 3.71Å; E71-R91 PolarHBondContact OE1-NE 2.92Å; E71-R91 IonicContact OE1-NH2 2.75Å; E71-R91 PolarHBondContact OE1-NH2 3.24Å
92	Q	88.6	Confident	77.9	Confident	0 Å²	0	79 Å²	79	0%	0	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	116.5	172.1	-162.9	158	-79	0	0	113.8	G19 P21 T65 P66 G68 G70 L72 Y90	G19-Q92 WeakPolarHBondContact O-CA 3.27Å; P21-Q92 HydrophobicContact CG-CG 4.31Å; T65-Q92 PolarHBondContact OG1-OE1 3.26Å; P66-Q92 PolarHBondContact O-NE2 3.39Å; G68-Q92 PolarHBondContact O-NE2 3.33Å; G70-Q92 PolarHBondContact N-O 2.72Å; G70-Q92 PolarHBondContact O-N 3.31Å; L72-Q92 HydrophobicContact CD1-CB 3.71Å; L72-Q92 HydrophobicContact CD1-CG 4.44Å; L72-Q92 HydrophobicContact CG-CB 4.33Å; Y90-Q92 HydrophobicContact CD1-CB 4.16Å; Y90-Q92 HydrophobicContact CE1-CB 3.75Å; Y90-Q92 HydrophobicContact CE1-CG 4.18Å; Y90-Q92 PolarHBondContact O-N 2.81Å
93	N	80.7	Confident	77	Confident	100 Å²	100	84.9 Å²	84.9	54%	0.535	46%	0.462	S	S	.	.			trans	-114.1	126.3	174	-68.5	-11.2	0	0	0	109.7	G19 T20	G19-N93 PolarHBondContact O-N 2.88Å; T20-N93 WeakPolarHBondContact CG2-O 3.46Å
94	M	69.8	Low	76.1	Confident	47 Å²	47	80.9 Å²	80.9	23%	0.232	44%	0.444	C	S	.	.			trans	-89.4	130	172.2	-148.3	170.9	-172.1	0	0	108.4	P21 L67 E69 R96 Y106	P21-M94 HydrophobicContact CG-CE 4.49Å; P21-M94 HydrophobicContact CG-CG 4.04Å; L67-M94 HydrophobicContact CD2-CE 4.16Å; E69-M94 HydrophobicContact CG-CB 3.57Å; E69-M94 HydrophobicContact CG-SD 4.5Å; E69-M94 WeakPolarHBondContact OE1-CB 3.46Å; E69-M94 PolarHBondContact OE1-N 3.08Å; M94-R96 PolarHBondContact O-N 3.05Å; M94-Y106 HydrophobicContact CE-CD2 3.42Å; M94-Y106 VanDerWaalsContact CE-CD2 3.42Å; M94-Y106 HydrophobicContact CE-CE2 3.34Å; M94-Y106 HydrophobicContact CE-CG 4.39Å; M94-Y106 HydrophobicContact CG-CD2 4.41Å; M94-Y106 HydrophobicContact CG-CE1 4.29Å; M94-Y106 HydrophobicContact CG-CE2 3.57Å; M94-Y106 WeakPolarHBondContact CG-OH 3.16Å; M94-Y106 HydrophobicContact SD-CE2 4.26Å
95	L	65.2	Low	75.3	Confident	90 Å²	90	85.3 Å²	85.3	47%	0.471	47%	0.469	S	S	.	.			trans	-75.7	112.5	175	-73.9	163.5	0	0	0	108.5	T20 V98 Y106	T20-L95 HydrophobicContact CG2-CD1 4.07Å; T20-L95 HydrophobicContact CG2-CG 4.28Å; L95-V98 HydrophobicContact CB-CG2 4.46Å; L95-Y106 PolarHBondContact N-OH 3.49Å; L95-Y106 PolarHBondContact O-OH 3.24Å
96	R	62.7	Low	74.6	Confident	233 Å²	233	81.9 Å²	81.9	88%	0.879	45%	0.446	S	S	*	.	S	Bend	trans	-68	-34.3	175.8	-91.7	-171.4	-176.1	-179.8	0.6	113.6	M94	M94-R96 PolarHBondContact O-N 3.05Å
97	V	65.1	Low	73.6	Confident	132 Å²	132	90.4 Å²	90.4	80%	0.8	47%	0.474	S	S	*	.			trans	-117.8	103.3	-176.8	-176.3	0	0	0	0	108.9
98	V	65.5	Low	72.5	Confident	42 Å²	42	89.3 Å²	89.3	26%	0.255	46%	0.46	S	S	.	.			trans	-101.1	117.3	176.9	-167.5	0	0	0	0	107.7	L95 T102 V104 P108	L95-V98 HydrophobicContact CB-CG2 4.46Å; V98-T102 HydrophobicContact CG1-CG2 4.23Å; V98-V104 HydrophobicContact CB-CG2 4.36Å; V98-V104 HydrophobicContact CG1-CB 4.49Å; V98-V104 HydrophobicContact CG1-CG2 3.29Å; V98-V104 HydrophobicContact CG2-CG2 4.11Å; V98-P108 HydrophobicContact CB-CG 4.42Å; V98-P108 HydrophobicContact CG2-CB 4.12Å; V98-P108 HydrophobicContact CG2-CG 3.77Å
99	S	62.5	Low	71.1	Confident	59 Å²	59	95 Å²	95	41%	0.413	48%	0.483	S	S	.	.			trans	-65.9	147.9	170.5	168.9	0	0	0	0	109	Q101 T102	S99-Q101 PolarHBondContact O-N 3.39Å; S99-T102 WeakPolarHBondContact CB-OG1 3.36Å; S99-T102 PolarHBondContact O-N 2.7Å
100	P	64.5	Low	69.3	Low	121 Å²	121	93.8 Å²	93.8	79%	0.786	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-18.1	177.8	-27	33.8	0	0	0	115.1
101	Q	64.1	Low	67.4	Low	155 Å²	155	100.9 Å²	100.9	72%	0.724	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-6.4	179.4	-61.1	-178.2	-6.1	0	0	114	S99 V103	S99-Q101 PolarHBondContact O-N 3.39Å; Q101-V103 PolarHBondContact O-N 3.15Å
102	T	68.4	Low	65.6	Low	68 Å²	68	104.6 Å²	104.6	42%	0.417	53%	0.53	S	S	.	.			trans	-80.7	121.6	-179.6	-53.7	0	0	0	0	109.2	V98 S99 V104	V98-T102 HydrophobicContact CG1-CG2 4.23Å; S99-T102 WeakPolarHBondContact CB-OG1 3.36Å; S99-T102 PolarHBondContact O-N 2.7Å; T102-V104 HydrophobicContact CG2-CG2 4.19Å; T102-V104 PolarHBondContact O-N 3.2Å
103	V	68.6	Low	63.5	Low	142 Å²	142	113.4 Å²	113.4	86%	0.861	56%	0.563	S	S	*	*			trans	-74.4	123.5	177.2	-176.2	0	0	0	0	108.8	Q101	Q101-V103 PolarHBondContact O-N 3.15Å
104	V	70.3	Confident	61.6	Low	40 Å²	40	114.1 Å²	114.1	24%	0.242	57%	0.571	C	S	.	*			trans	-129.4	140.3	-179.7	-171.9	0	0	0	0	109.5	V98 T102 Y106	V98-V104 HydrophobicContact CB-CG2 4.36Å; V98-V104 HydrophobicContact CG1-CB 4.49Å; V98-V104 HydrophobicContact CG1-CG2 3.29Å; V98-V104 HydrophobicContact CG2-CG2 4.11Å; T102-V104 HydrophobicContact CG2-CG2 4.19Å; T102-V104 PolarHBondContact O-N 3.2Å; V104-Y106 HydrophobicContact CG1-CD1 3.28Å; V104-Y106 HydrophobicContact CG1-CD2 4.29Å; V104-Y106 HydrophobicContact CG1-CE1 3.13Å; V104-Y106 HydrophobicContact CG1-CE2 4.17Å; V104-Y106 HydrophobicContact CG1-CG 3.87Å; V104-Y106 WeakPolarHBondContact CG1-O 3.43Å
105	T	69.2	Low	60	Low	97 Å²	97	115 Å²	115	60%	0.595	59%	0.586	S	S	*	*	S	Bend	trans	-87.6	-7.9	-176.6	43.5	0	0	0	0	114.1	P21	P21-T105 PolarHBondContact O-OG1 3.17Å
106	Y	69.7	Low	58.6	Low	19 Å²	19	116.3 Å²	116.3	8%	0.075	60%	0.6	C	S	.	*	S	Bend	trans	-121.8	157.8	176.4	67	-86.9	0	0	0	109.7	T20 P21 M94 L95 V104 P108	T20-Y106 HydrophobicContact CG2-CE1 4.47Å; P21-Y106 HydrophobicContact CB-CD1 3.89Å; P21-Y106 HydrophobicContact CB-CG 4.08Å; P21-Y106 HydrophobicContact CG-CD1 3.94Å; P21-Y106 HydrophobicContact CG-CE1 4.15Å; P21-Y106 HydrophobicContact CG-CG 4.25Å; M94-Y106 HydrophobicContact CE-CD2 3.42Å; M94-Y106 VanDerWaalsContact CE-CD2 3.42Å; M94-Y106 HydrophobicContact CE-CE2 3.34Å; M94-Y106 HydrophobicContact CE-CG 4.39Å; M94-Y106 HydrophobicContact CG-CD2 4.41Å; M94-Y106 HydrophobicContact CG-CE1 4.29Å; M94-Y106 HydrophobicContact CG-CE2 3.57Å; M94-Y106 WeakPolarHBondContact CG-OH 3.16Å; M94-Y106 HydrophobicContact SD-CE2 4.26Å; L95-Y106 PolarHBondContact N-OH 3.49Å; L95-Y106 PolarHBondContact O-OH 3.24Å; V104-Y106 HydrophobicContact CG1-CD1 3.28Å; V104-Y106 HydrophobicContact CG1-CD2 4.29Å; V104-Y106 HydrophobicContact CG1-CE1 3.13Å; V104-Y106 HydrophobicContact CG1-CE2 4.17Å; V104-Y106 HydrophobicContact CG1-CG 3.87Å; V104-Y106 WeakPolarHBondContact CG1-O 3.43Å; Y106-P108 HydrophobicContact CE2-CB 4.19Å; Y106-P108 HydrophobicContact CE2-CG 4.28Å; Y106-P108 VanDerWaalsContact O-CD 3.24Å; Y106-P108 WeakPolarHBondContact O-CD 3.31Å
107	W	66.2	Low	57.3	Low	205 Å²	205	111.3 Å²	111.3	78%	0.777	60%	0.595	S	S	*	*			trans	-76.4	113.8	169.5	-76.7	98.9	0	0	0	108.7	E109	W107-E109 PolarHBondContact O-N 2.78Å
108	P	63	Low	55.8	Low	53 Å²	53	109.9 Å²	109.9	34%	0.344	59%	0.591	S	S	.	*			trans	-63.2	136.9	176.6	-17.8	32.6	0	0	0	109.6	V98 Y106 D110	V98-P108 HydrophobicContact CB-CG 4.42Å; V98-P108 HydrophobicContact CG2-CB 4.12Å; V98-P108 HydrophobicContact CG2-CG 3.77Å; Y106-P108 HydrophobicContact CE2-CB 4.19Å; Y106-P108 HydrophobicContact CE2-CG 4.28Å; Y106-P108 VanDerWaalsContact O-CD 3.24Å; Y106-P108 WeakPolarHBondContact O-CD 3.31Å; P108-D110 PolarHBondContact O-N 2.73Å
109	E	58.3	Low	53.9	Low	162 Å²	162	112.1 Å²	112.1	76%	0.757	62%	0.623	S	S	*	*			trans	-61.4	110.3	166.2	-69.1	-61.7	143.9	0	0	107.3	W107	W107-E109 PolarHBondContact O-N 2.78Å
110	D	52.3	Low	52.3	Low	66 Å²	66	113.4 Å²	113.4	35%	0.353	63%	0.632	S	S	.	*			trans	-89.4	113.1	172.8	-173.3	-4.4	0	0	0	106.6	P108 R112 R113	P108-D110 PolarHBondContact O-N 2.73Å; D110-R112 PolarHBondContact O-N 3.05Å; D110-R112 WeakPolarHBondContact OD1-CB 3.45Å; D110-R112 PolarHBondContact OD1-N 2.91Å; D110-R112 VanDerWaalsContact OD1-N 3.16Å; D110-R112 IonicContact OD1-NE 2.63Å; D110-R112 PolarHBondContact OD1-NE 3.33Å; D110-R113 HydrophobicContact CB-CG 4.27Å; D110-R113 WeakPolarHBondContact O-CB 3.38Å; D110-R113 PolarHBondContact O-N 3.04Å
111	D	51.3	Low	50.4	Low	149 Å²	149	113.6 Å²	113.6	80%	0.797	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-54.8	-17.8	176.9	-78.7	-25.9	0	0	0	112.4	R113	D111-R113 VanDerWaalsContact C-N 3.32Å
112	R	51.4	Low	48.6	Very low	216 Å²	216	111.6 Å²	111.6	82%	0.815	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-76.9	-12.2	173.9	-66.4	179.9	-95	-165.6	-13.9	114.5	D110 V114	D110-R112 PolarHBondContact O-N 3.05Å; D110-R112 WeakPolarHBondContact OD1-CB 3.45Å; D110-R112 PolarHBondContact OD1-N 2.91Å; D110-R112 VanDerWaalsContact OD1-N 3.16Å; D110-R112 IonicContact OD1-NE 2.63Å; D110-R112 PolarHBondContact OD1-NE 3.33Å; R112-V114 VanDerWaalsContact C-N 3.32Å
113	R	44.5	Very low	46.5	Very low	185 Å²	185	112.1 Å²	112.1	70%	0.698	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-92.1	16.5	175.9	-72.2	-170.5	-173.2	-173.9	3.6	113.7	D110 D111 A115	D110-R113 HydrophobicContact CB-CG 4.27Å; D110-R113 WeakPolarHBondContact O-CB 3.38Å; D110-R113 PolarHBondContact O-N 3.04Å; D111-R113 VanDerWaalsContact C-N 3.32Å; R113-A115 PolarHBondContact O-N 3Å
114	V	40.6	Very low	44.3	Very low	116 Å²	116	109.1 Å²	109.1	70%	0.703	65%	0.65	S	S	*	*			trans	-62.9	88.2	150	-175.2	0	0	0	0	105.4	R112 P116	R112-V114 VanDerWaalsContact C-N 3.32Å; V114-P116 VanDerWaalsContact O-CD 3.27Å; V114-P116 WeakPolarHBondContact O-CD 3.48Å
115	A	36.3	Very low	42.3	Very low	65 Å²	65	113 Å²	113	54%	0.537	68%	0.679	S	S	.	*			trans	-50	121.8	168.7	0	0	0	0	0	104.6	R113 T117	R113-A115 PolarHBondContact O-N 3Å; A115-T117 PolarHBondContact O-N 3.25Å
116	P	37.1	Very low	40.2	Very low	118 Å²	118	114.5 Å²	114.5	77%	0.766	69%	0.694	S	S	*	*			trans	-68.7	79.2	172.5	27.4	-30.5	0	0	0	105.5	V114 S118	V114-P116 VanDerWaalsContact O-CD 3.27Å; V114-P116 WeakPolarHBondContact O-CD 3.48Å; P116-S118 PolarHBondContact O-N 3.11Å
117	T	33.7	Very low	38	Very low	128 Å²	128	116.4 Å²	116.4	79%	0.785	72%	0.719	S	S	*	*			trans	-59.4	101.9	159.2	49.2	0	0	0	0	103.5	A115 G119	A115-T117 PolarHBondContact O-N 3.25Å; T117-G119 PolarHBondContact O-N 3.18Å
118	S	34.1	Very low	36	Very low	101 Å²	101	111.5 Å²	111.5	71%	0.706	72%	0.717	S	S	*	*			trans	-43.1	110.9	-172.8	-51.4	0	0	0	0	109	P116 S120	P116-S118 PolarHBondContact O-N 3.11Å; S118-S120 PolarHBondContact O-N 3.22Å
119	G	25.8	Very low	34.1	Very low	90 Å²	90	115.5 Å²	115.5	93%	0.928	74%	0.74	S	S	*	*			trans	-68.7	73.2	167.3	0	0	0	0	0	108.7	T117	T117-G119 PolarHBondContact O-N 3.18Å
120	S	28.7	Very low	32.7	Very low	86 Å²	86	112.9 Å²	112.9	60%	0.601	74%	0.735	S	S	*	*			trans	-142.1	123	160.5	58.9	0	0	0	0	108.5	S118	S118-S120 PolarHBondContact O-N 3.22Å
121	T	25.2	Very low	31.4	Very low	125 Å²	125	114.4 Å²	114.4	77%	0.767	76%	0.756	S	S	*	*			trans	77.2	100.7	157.4	26.2	0	0	0	0	118.2
122	S	26.5	Very low	30.3	Very low	112 Å²	112	112.7 Å²	112.7	78%	0.783	75%	0.751	S	S	*	*				50.4	110.1	120.2	63.8	0	0	0	0	117.9
123	G	23.4	Very low	29	Very low	79 Å²	79	105.4 Å²	105.4	81%	0.814	74%	0.743	S	S	*	*			trans	177.6	78.4	166.3	0	0	0	0	0	114.6
124	G	23.3	Very low	28	Very low	79 Å²	79	102.6 Å²	102.6	81%	0.814	75%	0.75	S	S	*	*			trans	13.3	135.7	154.9	0	0	0	0	0	121.7
125	S	26.9	Very low	27.5	Very low	121 Å²	121	103.3 Å²	103.3	85%	0.846	76%	0.755	S	S	*	*			trans	-155.1	73.7	137.2	-156	0	0	0	0	110.8
126	S	26	Very low	27.2	Very low	129 Å²	129	106.2 Å²	106.2	90%	0.902	77%	0.768	S	S	*	*			trans	-109	66.7	150	-67.2	0	0	0	0	106.5	S128	S126-S128 PolarHBondContact O-N 2.56Å; S126-S128 VanDerWaalsContact O-N 3.1Å
127	G	22.4	Very low	27.2	Very low	59 Å²	59	103.2 Å²	103.2	61%	0.608	76%	0.759	S	S	*	*			trans	-72.8	92.6	171.5	0	0	0	0	0	109.3	T129	G127-T129 VanDerWaalsContact C-N 3.32Å; G127-T129 PolarHBondContact O-N 2.93Å
128	S	24.8	Very low	27.7	Very low	103 Å²	103	100 Å²	100	72%	0.72	75%	0.745	S	S	*	*			trans	-59.7	95.2	159.5	-178.7	0	0	0	0	108.2	S126 V130	S126-S128 PolarHBondContact O-N 2.56Å; S126-S128 VanDerWaalsContact O-N 3.1Å; S128-V130 VanDerWaalsContact C-N 3.33Å; S128-V130 PolarHBondContact O-N 3.29Å
129	T	24.4	Very low	28.3	Very low	136 Å²	136	101.9 Å²	101.9	83%	0.834	74%	0.743	S	S	*	*			trans	-89.7	85.2	162.6	42.8	0	0	0	0	106.4	G127 A131	G127-T129 VanDerWaalsContact C-N 3.32Å; G127-T129 PolarHBondContact O-N 2.93Å; T129-A131 VanDerWaalsContact C-N 3.34Å; T129-A131 PolarHBondContact O-N 2.99Å
130	V	27.3	Very low	29.6	Very low	108 Å²	108	100.6 Å²	100.6	66%	0.655	71%	0.714	S	S	*	*			trans	-55.9	105.1	160.9	176.1	0	0	0	0	105.7	S128 V132	S128-V130 VanDerWaalsContact C-N 3.33Å; S128-V130 PolarHBondContact O-N 3.29Å; V130-V132 HydrophobicContact CG1-CG2 4.49Å; V130-V132 PolarHBondContact O-N 3.39Å
131	A	26.6	Very low	30.9	Very low	97 Å²	97	98.4 Å²	98.4	80%	0.802	70%	0.696	S	S	*	*			trans	-59.9	93.6	164.9	0	0	0	0	0	106.8	T129 G133	T129-A131 VanDerWaalsContact C-N 3.34Å; T129-A131 PolarHBondContact O-N 2.99Å; A131-G133 PolarHBondContact O-N 3.24Å
132	V	27.2	Very low	32.2	Very low	113 Å²	113	101.7 Å²	101.7	69%	0.685	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-60.8	117.1	171.9	172.3	0	0	0	0	106.3	V130 C134	V130-V132 HydrophobicContact CG1-CG2 4.49Å; V130-V132 PolarHBondContact O-N 3.39Å; V132-C134 PolarHBondContact O-N 3.01Å
133	G	23.5	Very low	33.5	Very low	63 Å²	63	99.6 Å²	99.6	65%	0.649	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-53.8	119.4	-177.7	0	0	0	0	0	111.2	A131 V135	A131-G133 PolarHBondContact O-N 3.24Å; G133-V135 PolarHBondContact O-N 3.43Å
134	C	24.4	Very low	35.3	Very low	126 Å²	126	96.7 Å²	96.7	85%	0.851	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-66.4	124.2	165	-80.3	0	0	0	0	108.2	V132	V132-C134 PolarHBondContact O-N 3.01Å
135	V	30.1	Very low	37	Very low	131 Å²	131	94 Å²	94	79%	0.794	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-64.6	127.4	178.2	176.1	0	0	0	0	108.5	G133 G137	G133-V135 PolarHBondContact O-N 3.43Å; V135-G137 PolarHBondContact O-N 2.62Å
136	P	30.7	Very low	38.8	Very low	127 Å²	127	88.3 Å²	88.3	83%	0.825	59%	0.586	S	S	*	*	S	Bend	trans	-79.5	86.8	-178	31	-31.8	0	0	0	109.4
137	G	36.9	Very low	40.5	Very low	55 Å²	55	82.8 Å²	82.8	57%	0.567	55%	0.548	S	S	*	.	S	Bend	trans	-162.2	111.1	176.1	0	0	0	0	0	109.6	V135	V135-G137 PolarHBondContact O-N 2.62Å
138	A	44.2	Very low	42.5	Very low	60 Å²	60	84.3 Å²	84.3	50%	0.496	54%	0.54	S	S	.	.			trans	64.8	69.8	-178.4	0	0	0	0	0	114.7	L140	A138-L140 PolarHBondContact O-N 3.47Å
139	E	46.9	Very low	44.2	Very low	141 Å²	141	82.5 Å²	82.5	66%	0.659	53%	0.528	S	S	*	.			trans	-62.6	100.2	167.3	-70.8	179.7	174.4	0	0	110	M148	E139-M148 HydrophobicContact CB-CE 4.29Å; E139-M148 PolarHBondContact O-N 3Å; E139-M148 VanDerWaalsContact O-N 3.08Å
140	L	51.7	Low	46.1	Very low	63 Å²	63	76.1 Å²	76.1	33%	0.33	49%	0.488	S	S	.	.	B	Isolated β-bridge	trans	-82.1	131	162.7	-59.4	177.5	0	0	0	107.8	A138 H142 L146 P147	A138-L140 PolarHBondContact O-N 3.47Å; L140-H142 PolarHBondContact O-N 3.25Å; L140-H142 PolarHBondContact O-ND1 3.14Å; L140-L146 WeakPolarHBondContact CA-O 3.39Å; L140-P147 HydrophobicContact CD2-CB 3.97Å; L140-P147 HydrophobicContact CD2-CG 4.35Å
141	D	55.7	Low	47.6	Very low	40 Å²	40	73.6 Å²	73.6	21%	0.214	47%	0.471	C	S	.	.			trans	-63.3	126.9	169.7	165.3	42.6	0	0	0	109.6	S143 T144 G145 L146 M148 L151	D141-S143 PolarHBondContact O-N 3.36Å; D141-S143 VanDerWaalsContact O-N 3.14Å; D141-S143 PolarHBondContact OD1-N 3.29Å; D141-S143 PolarHBondContact OD1-OG 3.39Å; D141-S143 PolarHBondContact OD2-OG 3.26Å; D141-T144 PolarHBondContact O-N 2.79Å; D141-T144 WeakPolarHBondContact OD2-CB 3.49Å; D141-T144 WeakPolarHBondContact OD2-CG2 3.39Å; D141-T144 PolarHBondContact OD2-N 3.37Å; D141-T144 PolarHBondContact OD2-OG1 2.62Å; D141-G145 VanDerWaalsContact O-CA 3.31Å; D141-G145 WeakPolarHBondContact O-CA 3.25Å; D141-G145 PolarHBondContact O-N 2.81Å; D141-L146 PolarHBondContact N-O 3.5Å; D141-M148 HydrophobicContact CB-CE 4.39Å; D141-L151 HydrophobicContact CB-CD1 3.42Å; D141-L151 VanDerWaalsContact CB-CD1 3.42Å
142	H	53.9	Low	49.5	Very low	193 Å²	193	73.9 Å²	73.9	89%	0.894	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-23.2	-175.5	-68.4	34.3	0	0	0	112.2	L140	L140-H142 PolarHBondContact O-N 3.25Å; L140-H142 PolarHBondContact O-ND1 3.14Å
143	S	54.3	Low	51.2	Low	69 Å²	69	74 Å²	74	48%	0.483	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-37.2	-178.7	84.6	0	0	0	0	113	D141 H174	D141-S143 PolarHBondContact O-N 3.36Å; D141-S143 VanDerWaalsContact O-N 3.14Å; D141-S143 PolarHBondContact OD1-N 3.29Å; D141-S143 PolarHBondContact OD1-OG 3.39Å; D141-S143 PolarHBondContact OD2-OG 3.26Å; S143-H174 PolarHBondContact O-CE1 3.44Å; S143-H174 VanDerWaalsContact O-CE1 3.26Å; S143-H174 PolarHBondContact O-ND1 2.86Å
144	T	61.2	Low	53.1	Low	18 Å²	18	72.1 Å²	72.1	11%	0.11	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-18.2	-174.6	56.9	0	0	0	0	114.5	D141 L146 L175 F189	D141-T144 PolarHBondContact O-N 2.79Å; D141-T144 WeakPolarHBondContact OD2-CB 3.49Å; D141-T144 WeakPolarHBondContact OD2-CG2 3.39Å; D141-T144 PolarHBondContact OD2-N 3.37Å; D141-T144 PolarHBondContact OD2-OG1 2.62Å; T144-L146 PolarHBondContact O-N 3.24Å; T144-L175 VanDerWaalsContact O-CD1 3.28Å; T144-L175 WeakPolarHBondContact O-CD1 3.36Å; T144-F189 HydrophobicContact CG2-CE1 4.06Å; T144-F189 HydrophobicContact CG2-CZ 3.73Å
145	G	59	Low	54.8	Low	23 Å²	23	68.8 Å²	68.8	24%	0.237	41%	0.408	C	S	.	.			trans	62.6	14.1	-171.5	0	0	0	0	0	113.6	D141 L175	D141-G145 VanDerWaalsContact O-CA 3.31Å; D141-G145 WeakPolarHBondContact O-CA 3.25Å; D141-G145 PolarHBondContact O-N 2.81Å; G145-L175 WeakPolarHBondContact O-CD1 3.41Å
146	L	63.3	Low	56.5	Low	0 Å²	0	70.9 Å²	70.9	0%	0	41%	0.411	C	S	.	.			trans	-85.9	141.8	176.1	-80.2	163.1	0	0	0	109.9	L140 D141 T144 E150 L151 I154 F185 F189 F205	L140-L146 WeakPolarHBondContact CA-O 3.39Å; D141-L146 PolarHBondContact N-O 3.5Å; T144-L146 PolarHBondContact O-N 3.24Å; L146-E150 HydrophobicContact CD2-CB 4.22Å; L146-L151 HydrophobicContact CB-CG 4.29Å; L146-I154 HydrophobicContact CD1-CD1 3.5Å; L146-I154 VanDerWaalsContact CD1-CD1 3.5Å; L146-F185 HydrophobicContact CD1-CE2 4.39Å; L146-F185 HydrophobicContact CD1-CZ 4.09Å; L146-F185 HydrophobicContact CD2-CZ 3.83Å; L146-F185 HydrophobicContact CG-CE2 4.45Å; L146-F185 HydrophobicContact CG-CZ 4Å; L146-F189 HydrophobicContact CD1-CD1 4.46Å; L146-F189 HydrophobicContact CD1-CD2 4.35Å; L146-F189 HydrophobicContact CD1-CE2 4.46Å; L146-F189 HydrophobicContact CD1-CG 4.35Å; L146-F205 HydrophobicContact CD2-CE1 4.29Å; L146-F205 HydrophobicContact CD2-CE2 4.41Å; L146-F205 HydrophobicContact CD2-CZ 3.59Å
147	P	63.2	Low	58.2	Low	14 Å²	14	67.8 Å²	67.8	9%	0.091	39%	0.391	C	S	.	.	B	Isolated β-bridge	trans	-62.4	140.5	170.2	16.7	-18.8	0	0	0	110.3	L140 S149 E150 L151	L140-P147 HydrophobicContact CD2-CB 3.97Å; L140-P147 HydrophobicContact CD2-CG 4.35Å; P147-S149 PolarHBondContact O-N 2.87Å; P147-E150 HydrophobicContact CG-CB 4.3Å; P147-E150 HydrophobicContact CG-CG 3.78Å; P147-E150 WeakPolarHBondContact O-CA 3.3Å; P147-E150 WeakPolarHBondContact O-CB 3.2Å; P147-E150 PolarHBondContact O-N 3.2Å; P147-L151 PolarHBondContact O-N 3.2Å
148	M	62.4	Low	59.7	Low	91 Å²	91	66.8 Å²	66.8	45%	0.448	37%	0.372	S	S	.	.	H	α-helix	trans	-54	-31.6	-176.4	-154.6	65	62	0	0	113.1	E139 D141 E150 L151 S152	E139-M148 HydrophobicContact CB-CE 4.29Å; E139-M148 PolarHBondContact O-N 3Å; E139-M148 VanDerWaalsContact O-N 3.08Å; D141-M148 HydrophobicContact CB-CE 4.39Å; M148-E150 VanDerWaalsContact C-N 3.28Å; M148-E150 PolarHBondContact O-N 3.4Å; M148-L151 PolarHBondContact O-N 3.22Å; M148-L151 HydrophobicContact SD-CD1 3.74Å; M148-S152 PolarHBondContact O-N 3.22Å
149	S	61	Low	61.1	Low	65 Å²	65	66.9 Å²	66.9	46%	0.455	37%	0.37	S	S	.	.	H	α-helix	trans	-62.9	-30.1	174	45.9	0	0	0	0	113.5	P147 S152	P147-S149 PolarHBondContact O-N 2.87Å; S149-S152 PolarHBondContact O-OG 3.13Å
150	E	64.2	Low	62.2	Low	1 Å²	1	64.6 Å²	64.6	1%	0.005	36%	0.362	C	S	.	.	H	α-helix	trans	-81.7	-34.7	175.1	-67.2	-61.7	106.2	0	0	112.5	L146 P147 M148 S152 R153 I154 Y190 T201 N204	L146-E150 HydrophobicContact CD2-CB 4.22Å; P147-E150 HydrophobicContact CG-CB 4.3Å; P147-E150 HydrophobicContact CG-CG 3.78Å; P147-E150 WeakPolarHBondContact O-CA 3.3Å; P147-E150 WeakPolarHBondContact O-CB 3.2Å; P147-E150 PolarHBondContact O-N 3.2Å; M148-E150 VanDerWaalsContact C-N 3.28Å; M148-E150 PolarHBondContact O-N 3.4Å; E150-S152 PolarHBondContact O-N 2.83Å; E150-R153 PolarHBondContact O-N 2.98Å; E150-R153 IonicContact OE1-CZ 3.25Å; E150-R153 VanDerWaalsContact OE1-CZ 3.25Å; E150-R153 IonicContact OE1-NE 3Å; E150-R153 PolarHBondContact OE1-NE 3.18Å; E150-R153 IonicContact OE1-NH2 2.7Å; E150-R153 PolarHBondContact OE1-NH2 2.83Å; E150-I154 WeakPolarHBondContact O-CG1 3.35Å; E150-I154 PolarHBondContact O-N 3.37Å; E150-Y190 PolarHBondContact OE2-OH 3.49Å; E150-T201 WeakPolarHBondContact OE2-CA 3.35Å; E150-T201 VanDerWaalsContact OE2-CB 3.27Å; E150-T201 WeakPolarHBondContact OE2-CB 3.16Å; E150-T201 WeakPolarHBondContact OE2-CG2 3.43Å; E150-T201 PolarHBondContact OE2-OG1 3.23Å; E150-N204 PolarHBondContact OE1-ND2 3.29Å
151	L	60.3	Low	63.2	Low	55 Å²	55	65.9 Å²	65.9	29%	0.288	38%	0.376	S	S	.	.	H	α-helix	trans	-57.2	-34.2	175.9	-81.7	166	0	0	0	112.5	D141 L146 P147 M148 R153	D141-L151 HydrophobicContact CB-CD1 3.42Å; D141-L151 VanDerWaalsContact CB-CD1 3.42Å; L146-L151 HydrophobicContact CB-CG 4.29Å; P147-L151 PolarHBondContact O-N 3.2Å; M148-L151 PolarHBondContact O-N 3.22Å; M148-L151 HydrophobicContact SD-CD1 3.74Å; L151-R153 VanDerWaalsContact C-N 3.31Å; L151-R153 PolarHBondContact O-N 3.11Å
152	S	64.7	Low	64.2	Low	103 Å²	103	65.2 Å²	65.2	72%	0.72	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-24.1	175.9	71.5	0	0	0	0	114.5	M148 S149 E150	M148-S152 PolarHBondContact O-N 3.22Å; S149-S152 PolarHBondContact O-OG 3.13Å; E150-S152 PolarHBondContact O-N 2.83Å
153	R	64.4	Low	65.1	Low	117 Å²	117	56.2 Å²	56.2	44%	0.442	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-21.9	178.9	-82.4	-166.7	-97.4	-102.2	-8.4	113.4	E150 L151 S155 N204	E150-R153 PolarHBondContact O-N 2.98Å; E150-R153 IonicContact OE1-CZ 3.25Å; E150-R153 VanDerWaalsContact OE1-CZ 3.25Å; E150-R153 IonicContact OE1-NE 3Å; E150-R153 PolarHBondContact OE1-NE 3.18Å; E150-R153 IonicContact OE1-NH2 2.7Å; E150-R153 PolarHBondContact OE1-NH2 2.83Å; L151-R153 VanDerWaalsContact C-N 3.31Å; L151-R153 PolarHBondContact O-N 3.11Å; R153-S155 PolarHBondContact O-N 3.33Å; R153-N204 PolarHBondContact NH2-ND2 3.21Å
154	I	62.6	Low	66.1	Low	23 Å²	23	61.8 Å²	61.8	12%	0.118	35%	0.345	C	S	.	.			trans	-75.8	114	-176.5	-69.8	162.3	0	0	0	109.4	L146 E150 F189 Y190	L146-I154 HydrophobicContact CD1-CD1 3.5Å; L146-I154 VanDerWaalsContact CD1-CD1 3.5Å; E150-I154 WeakPolarHBondContact O-CG1 3.35Å; E150-I154 PolarHBondContact O-N 3.37Å; I154-F189 HydrophobicContact CD1-CB 4.07Å; I154-F189 HydrophobicContact CD1-CD1 4.29Å; I154-F189 HydrophobicContact CD1-CG 4.39Å; I154-F189 HydrophobicContact CG1-CB 4.39Å; I154-F189 HydrophobicContact CG2-CB 4.24Å; I154-F189 HydrophobicContact CG2-CD1 4.15Å; I154-F189 WeakPolarHBondContact CG2-O 3.45Å; I154-Y190 HydrophobicContact CD1-CE2 4.43Å; I154-Y190 HydrophobicContact CG1-CE1 4.29Å
155	S	59.5	Low	66.9	Low	55 Å²	55	68.9 Å²	68.9	39%	0.385	38%	0.377	S	S	.	.			trans	-62.9	152.1	163.8	53.6	0	0	0	0	110.6	R153	R153-S155 PolarHBondContact O-N 3.33Å
156	M	66	Low	67.8	Low	176 Å²	176	71.5 Å²	71.5	87%	0.867	39%	0.385	S	S	*	.	S	Bend	trans	-32.7	117.4	-171.7	-169.9	172.8	108.2	0	0	113.7
157	P	67.4	Low	68.5	Low	62 Å²	62	74.1 Å²	74.1	40%	0.403	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-63.9	149.1	-176.3	25.2	-33.2	0	0	0	111.2	K188 F189	P157-K188 VanDerWaalsContact CA-O 3.31Å; P157-K188 WeakPolarHBondContact CA-O 3.49Å; P157-K188 HydrophobicContact CB-CG 4.29Å; P157-F189 HydrophobicContact CB-CD1 4.01Å; P157-F189 HydrophobicContact CB-CE1 4.12Å
158	L	68	Low	69.1	Low	33 Å²	33	78.6 Å²	78.6	17%	0.173	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-63.1	139.7	173.7	-68.9	166.8	0	0	0	110.5	A162 L163 I166 L187 K188 K191	L158-A162 HydrophobicContact CD2-CB 4.2Å; L158-L163 HydrophobicContact CD1-CD1 4.45Å; L158-I166 HydrophobicContact CD1-CD1 4.05Å; L158-L187 WeakPolarHBondContact CD1-O 3.41Å; L158-K188 PolarHBondContact N-O 2.97Å; L158-K188 VanDerWaalsContact N-O 3.07Å; L158-K188 WeakPolarHBondContact O-CE 3.45Å; L158-K191 HydrophobicContact CD1-CB 4.37Å; L158-K191 HydrophobicContact CD1-CD 3.72Å; L158-K191 HydrophobicContact CD2-CD 4.15Å; L158-K191 HydrophobicContact CG-CD 4.32Å
159	S	74.4	Confident	69.7	Low	63 Å²	63	82.4 Å²	82.4	44%	0.441	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-62.5	151.1	166.8	65.2	0	0	0	0	110.2	S161 A162 L163	S159-S161 PolarHBondContact O-N 2.99Å; S159-S161 VanDerWaalsContact O-N 3.15Å; S159-S161 PolarHBondContact OG-OG 2.95Å; S159-A162 PolarHBondContact O-N 3.3Å; S159-A162 WeakPolarHBondContact OG-CB 3.4Å; S159-A162 PolarHBondContact OG-N 3.49Å; S159-L163 PolarHBondContact O-N 3.43Å
160	D	68.1	Low	70.2	Confident	93 Å²	93	85.2 Å²	85.2	50%	0.497	45%	0.453	S	S	.	.	H	α-helix	trans	-59.9	-27.6	178.8	-67	-54.2	0	0	0	112.5	R164 K188	D160-R164 WeakPolarHBondContact O-CG 3.18Å; D160-R164 PolarHBondContact O-N 3.02Å; D160-K188 IonicContact OD1-NZ 2.91Å; D160-K188 PolarHBondContact OD1-NZ 3.26Å; D160-K188 IonicContact OD2-NZ 2.7Å; D160-K188 PolarHBondContact OD2-NZ 3.35Å
161	S	74.4	Confident	70.6	Confident	89 Å²	89	86.8 Å²	86.8	62%	0.622	47%	0.47	S	S	*	.	H	α-helix	trans	-66.3	-48.5	171.7	46.4	0	0	0	0	112.8	S159 R164 E165	S159-S161 PolarHBondContact O-N 2.99Å; S159-S161 VanDerWaalsContact O-N 3.15Å; S159-S161 PolarHBondContact OG-OG 2.95Å; S161-R164 PolarHBondContact O-N 3.44Å; S161-E165 PolarHBondContact O-N 3.06Å
162	A	75.6	Confident	71.3	Confident	26 Å²	26	85 Å²	85	22%	0.215	46%	0.462	C	S	.	.	H	α-helix	trans	-69.9	-32.9	179.4	0	0	0	0	0	112.3	L158 S159 E165 I166	L158-A162 HydrophobicContact CD2-CB 4.2Å; S159-A162 PolarHBondContact O-N 3.3Å; S159-A162 WeakPolarHBondContact OG-CB 3.4Å; S159-A162 PolarHBondContact OG-N 3.49Å; A162-E165 PolarHBondContact O-N 2.97Å; A162-I166 WeakPolarHBondContact O-CG1 3.46Å; A162-I166 PolarHBondContact O-N 3.32Å
163	L	73.2	Confident	71.6	Confident	4 Å²	4	80.8 Å²	80.8	2%	0.021	43%	0.431	C	S	.	.	H	α-helix	trans	-63.3	-44.1	174.4	-178.3	67.7	0	0	0	111.5	L158 S159 E165 I166 Y167 V173 M184 L187 K188	L158-L163 HydrophobicContact CD1-CD1 4.45Å; S159-L163 PolarHBondContact O-N 3.43Å; L163-E165 VanDerWaalsContact C-N 3.26Å; L163-E165 PolarHBondContact O-N 3.37Å; L163-I166 PolarHBondContact O-N 2.95Å; L163-Y167 PolarHBondContact O-N 2.83Å; L163-V173 HydrophobicContact CD2-CG2 3.8Å; L163-M184 HydrophobicContact CD2-CB 4.27Å; L163-M184 HydrophobicContact CD2-CG 4.47Å; L163-M184 HydrophobicContact CD2-SD 4.04Å; L163-M184 HydrophobicContact CG-SD 4.45Å; L163-L187 HydrophobicContact CD1-CB 3.64Å; L163-K188 HydrophobicContact CD1-CB 4.24Å; L163-K188 HydrophobicContact CD2-CB 4.19Å; L163-K188 HydrophobicContact CD2-CD 4.1Å
164	R	74.7	Confident	71.8	Confident	186 Å²	186	79.7 Å²	79.7	70%	0.702	43%	0.431	S	S	*	.	H	α-helix	trans	-67	-25.6	178.7	-76	-175.2	-178.9	-145.5	1.6	113.4	D160 S161 P168	D160-R164 WeakPolarHBondContact O-CG 3.18Å; D160-R164 PolarHBondContact O-N 3.02Å; S161-R164 PolarHBondContact O-N 3.44Å; R164-P168 WeakPolarHBondContact O-CA 3.48Å; R164-P168 WeakPolarHBondContact O-CB 3.22Å
165	E	77.8	Confident	72.1	Confident	168 Å²	168	82.1 Å²	82.1	79%	0.785	44%	0.444	S	S	*	.	H	α-helix	trans	-72.5	-38	175.6	-164.5	174.4	-163.6	0	0	112.1	S161 A162 L163	S161-E165 PolarHBondContact O-N 3.06Å; A162-E165 PolarHBondContact O-N 2.97Å; L163-E165 VanDerWaalsContact C-N 3.26Å; L163-E165 PolarHBondContact O-N 3.37Å
166	I	77.6	Confident	72.4	Confident	78 Å²	78	84.2 Å²	84.2	40%	0.4	47%	0.465	S	S	.	.	H	α-helix	trans	-81.7	-37.9	180	-58.1	163.8	0	0	0	111.4	L158 A162 L163 L187 K191	L158-I166 HydrophobicContact CD1-CD1 4.05Å; A162-I166 WeakPolarHBondContact O-CG1 3.46Å; A162-I166 PolarHBondContact O-N 3.32Å; L163-I166 PolarHBondContact O-N 2.95Å; I166-L187 HydrophobicContact CG2-CD1 4.41Å; I166-L187 HydrophobicContact CG2-CD2 4.38Å; I166-K191 HydrophobicContact CD1-CD 4.22Å; I166-K191 VanDerWaalsContact CD1-NZ 3.33Å
167	Y	79.3	Confident	72.5	Confident	54 Å²	54	79.7 Å²	79.7	21%	0.212	44%	0.444	C	S	.	.			trans	-136.5	84.4	-177.9	-162.8	-107.4	0	0	0	111.5	L163 R169 V183 M184 L187	L163-Y167 PolarHBondContact O-N 2.83Å; Y167-R169 HydrophobicContact CD1-CB 4.08Å; Y167-R169 HydrophobicContact CE1-CB 3.74Å; Y167-R169 HydrophobicContact CE1-CG 4.16Å; Y167-R169 PolarHBondContact O-N 3.43Å; Y167-V183 HydrophobicContact CD2-CG1 4.39Å; Y167-V183 HydrophobicContact CE1-CB 4.34Å; Y167-V183 HydrophobicContact CE1-CG1 4.26Å; Y167-V183 HydrophobicContact CE2-CG1 4.08Å; Y167-M184 HydrophobicContact CD1-CG 3.61Å; Y167-M184 HydrophobicContact CE1-CG 4.13Å; Y167-L187 HydrophobicContact CD2-CD1 4.46Å; Y167-L187 HydrophobicContact CG-CD1 4.1Å
168	P	75.9	Confident	72.8	Confident	108 Å²	108	86.9 Å²	86.9	70%	0.701	47%	0.469	S	S	*	.			trans	-78.7	59	-177.7	31	-35.1	0	0	0	112.3	R164	R164-P168 WeakPolarHBondContact O-CA 3.48Å; R164-P168 WeakPolarHBondContact O-CB 3.22Å
169	R	74.4	Confident	73.2	Confident	171 Å²	171	91.2 Å²	91.2	65%	0.645	49%	0.493	S	S	*	.			trans	-120.5	145.4	168.7	-71.9	-162.2	172.2	170.5	-1.6	110.8	Y167	Y167-R169 HydrophobicContact CD1-CB 4.08Å; Y167-R169 HydrophobicContact CE1-CB 3.74Å; Y167-R169 HydrophobicContact CE1-CG 4.16Å; Y167-R169 PolarHBondContact O-N 3.43Å
170	S	70.9	Confident	73.6	Confident	124 Å²	124	91.3 Å²	91.3	87%	0.867	49%	0.485	S	S	*	.			trans	-68.6	134.2	174.9	-49.1	0	0	0	0	110.7
171	G	73.5	Confident	74.1	Confident	35 Å²	35	88.3 Å²	88.3	36%	0.361	47%	0.469	S	S	.	.			trans	175.6	177.4	171.7	0	0	0	0	0	110.1	D179 M184	G171-D179 CarbonylContact C-O 3.59Å; G171-D179 WeakPolarHBondContact CA-O 3.37Å; G171-M184 WeakPolarHBondContact O-CE 3.47Å
172	S	74.2	Confident	74.4	Confident	18 Å²	18	87.8 Å²	87.8	13%	0.126	46%	0.463	C	S	.	.	B	Isolated β-bridge	trans	-109.1	154.7	171.1	-174.9	0	0	0	0	110.9	H174 D177 D179 F180 N181	S172-H174 PolarHBondContact OG-N 3.3Å; S172-H174 VanDerWaalsContact OG-N 3.11Å; S172-D177 VanDerWaalsContact CB-OD2 3.23Å; S172-D177 WeakPolarHBondContact CB-OD2 3.38Å; S172-D177 PolarHBondContact OG-OD2 2.87Å; S172-D179 PolarHBondContact N-O 3.05Å; S172-F180 WeakPolarHBondContact O-CA 3.4Å; S172-N181 PolarHBondContact O-N 2.86Å
173	V	72.4	Confident	74.7	Confident	13 Å²	13	89.6 Å²	89.6	8%	0.079	47%	0.472	C	S	.	.			trans	-95.1	-13.5	171.7	179	0	0	0	0	111	L163 F180 M184 F185 K188 F189	L163-V173 HydrophobicContact CD2-CG2 3.8Å; V173-F180 WeakPolarHBondContact O-CE2 3.31Å; V173-M184 HydrophobicContact CG2-CB 4.14Å; V173-M184 HydrophobicContact CG2-CE 4.17Å; V173-F185 HydrophobicContact CG1-CB 4.44Å; V173-F185 HydrophobicContact CG1-CD2 3.91Å; V173-F185 WeakPolarHBondContact O-CD2 3.17Å; V173-K188 HydrophobicContact CB-CD 4.39Å; V173-K188 HydrophobicContact CG1-CB 4.32Å; V173-K188 HydrophobicContact CG1-CD 4.02Å; V173-K188 HydrophobicContact CG2-CD 4.03Å; V173-F189 HydrophobicContact CG1-CD2 4.15Å; V173-F189 HydrophobicContact CG1-CE2 3.37Å; V173-F189 HydrophobicContact CG1-CZ 4.05Å
174	H	68.6	Low	75.1	Confident	95 Å²	95	89.9 Å²	89.9	44%	0.44	47%	0.473	S	S	.	.			trans	-77.5	129.8	-179.5	-64.5	-72.3	0	0	0	111.3	S143 S172 A176 D177 F180	S143-H174 PolarHBondContact O-CE1 3.44Å; S143-H174 VanDerWaalsContact O-CE1 3.26Å; S143-H174 PolarHBondContact O-ND1 2.86Å; S172-H174 PolarHBondContact OG-N 3.3Å; S172-H174 VanDerWaalsContact OG-N 3.11Å; H174-A176 PolarHBondContact O-N 3.48Å; H174-D177 HydrophobicContact CB-CB 4.41Å; H174-D177 IonicContact CD2-OD2 3.49Å; H174-D177 PolarHBondContact O-N 2.86Å; H174-F180 VanDerWaalsContact O-CD2 3.3Å; H174-F180 WeakPolarHBondContact O-CD2 3.18Å
175	L	68.8	Low	75.4	Confident	73 Å²	73	81.6 Å²	81.6	38%	0.382	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-25.1	-178.2	-69.2	168.5	0	0	0	113.5	T144 G145 F180 F185	T144-L175 VanDerWaalsContact O-CD1 3.28Å; T144-L175 WeakPolarHBondContact O-CD1 3.36Å; G145-L175 WeakPolarHBondContact O-CD1 3.41Å; L175-F180 HydrophobicContact CD2-CD2 4.37Å; L175-F180 HydrophobicContact CD2-CE1 4.09Å; L175-F180 HydrophobicContact CD2-CE2 3.67Å; L175-F180 HydrophobicContact CD2-CZ 3.51Å; L175-F180 HydrophobicContact CG-CE2 4.33Å; L175-F185 HydrophobicContact CD2-CE2 4.34Å; L175-F185 HydrophobicContact CG-CE2 4.32Å
176	A	64.7	Low	75.4	Confident	100 Å²	100	77.4 Å²	77.4	83%	0.826	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-12	-179.5	0	0	0	0	0	114	H174	H174-A176 PolarHBondContact O-N 3.48Å
177	D	69.5	Low	75.6	Confident	81 Å²	81	75.6 Å²	75.6	43%	0.433	42%	0.416	S	S	.	.	S	Bend	trans	-78.5	143.4	-178.8	-85.9	-24.8	0	0	0	111.7	S172 H174 D179 F180	S172-D177 VanDerWaalsContact CB-OD2 3.23Å; S172-D177 WeakPolarHBondContact CB-OD2 3.38Å; S172-D177 PolarHBondContact OG-OD2 2.87Å; H174-D177 HydrophobicContact CB-CB 4.41Å; H174-D177 IonicContact CD2-OD2 3.49Å; H174-D177 PolarHBondContact O-N 2.86Å; D177-D179 PolarHBondContact O-N 3.23Å; D177-F180 WeakPolarHBondContact O-CB 3.4Å; D177-F180 PolarHBondContact O-N 2.99Å
178	K	72.6	Confident	75.6	Confident	212 Å²	212	74.7 Å²	74.7	92%	0.922	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-29.7	177.5	-66.4	-172.5	178.9	-178	0	113.3	F180	K178-F180 VanDerWaalsContact C-N 3.35Å
179	D	77.2	Confident	75.7	Confident	125 Å²	125	70.3 Å²	70.3	67%	0.668	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	25.7	-178.2	-63.5	-28.9	0	0	0	112.5	G171 S172 D177 N181	G171-D179 CarbonylContact C-O 3.59Å; G171-D179 WeakPolarHBondContact CA-O 3.37Å; S172-D179 PolarHBondContact N-O 3.05Å; D177-D179 PolarHBondContact O-N 3.23Å; D179-N181 PolarHBondContact O-N 3.3Å
180	F	82	Confident	75.8	Confident	64 Å²	64	62.9 Å²	62.9	28%	0.281	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-56.5	124.1	179	174.2	-106.9	0	0	0	111.9	S172 V173 H174 L175 D177 K178 P182 F185	S172-F180 WeakPolarHBondContact O-CA 3.4Å; V173-F180 WeakPolarHBondContact O-CE2 3.31Å; H174-F180 VanDerWaalsContact O-CD2 3.3Å; H174-F180 WeakPolarHBondContact O-CD2 3.18Å; L175-F180 HydrophobicContact CD2-CD2 4.37Å; L175-F180 HydrophobicContact CD2-CE1 4.09Å; L175-F180 HydrophobicContact CD2-CE2 3.67Å; L175-F180 HydrophobicContact CD2-CZ 3.51Å; L175-F180 HydrophobicContact CG-CE2 4.33Å; D177-F180 WeakPolarHBondContact O-CB 3.4Å; D177-F180 PolarHBondContact O-N 2.99Å; K178-F180 VanDerWaalsContact C-N 3.35Å; F180-P182 HydrophobicContact CE1-CB 4.21Å; F180-F185 HydrophobicContact CE2-CB 3.69Å; F180-F185 AromaticContact CE2-CD2 3.73Å; F180-F185 HydrophobicContact CE2-CD2 3.73Å; F180-F185 AromaticContact CE2-CG 3.86Å; F180-F185 HydrophobicContact CE2-CG 3.86Å; F180-F185 HydrophobicContact CZ-CB 3.72Å; F180-F185 HydrophobicContact CZ-CD1 4.41Å; F180-F185 HydrophobicContact CZ-CD2 4.08Å; F180-F185 AromaticContact CZ-CG 3.83Å; F180-F185 HydrophobicContact CZ-CG 3.83Å
181	N	79.4	Confident	75.9	Confident	31 Å²	31	62.3 Å²	62.3	17%	0.166	34%	0.337	C	S	.	.			trans	-110.5	111.6	179.6	-169.2	-44.4	0	0	0	111	S172 D179 V183 M184 F185	S172-N181 PolarHBondContact O-N 2.86Å; D179-N181 PolarHBondContact O-N 3.3Å; N181-V183 VanDerWaalsContact C-N 3.27Å; N181-V183 PolarHBondContact O-N 3.27Å; N181-V183 WeakPolarHBondContact OD1-CB 3.33Å; N181-V183 PolarHBondContact OD1-N 2.98Å; N181-V183 VanDerWaalsContact OD1-N 3.08Å; N181-M184 HydrophobicContact CB-CB 4.16Å; N181-M184 HydrophobicContact CB-CE 4.01Å; N181-M184 HydrophobicContact CB-CG 4.24Å; N181-M184 PolarHBondContact O-N 2.79Å; N181-M184 PolarHBondContact OD1-N 3.19Å; N181-F185 PolarHBondContact O-N 2.9Å; N181-F185 VanDerWaalsContact O-N 3.07Å
182	P	81.1	Confident	75.8	Confident	77 Å²	77	66.4 Å²	66.4	50%	0.5	35%	0.35	S	S	.	.	H	α-helix	trans	-65.1	-29.9	-174.3	25	-33.7	0	0	0	113	F180 F185 L186	F180-P182 HydrophobicContact CE1-CB 4.21Å; P182-F185 PolarHBondContact O-N 2.99Å; P182-L186 WeakPolarHBondContact O-CG 3.46Å; P182-L186 PolarHBondContact O-N 3.46Å
183	V	81.3	Confident	75.9	Confident	65 Å²	65	66.8 Å²	66.8	39%	0.394	35%	0.353	S	S	.	.	H	α-helix	trans	-70	-43	178.7	-179	0	0	0	0	110.5	Y167 N181 F185 L186 L187	Y167-V183 HydrophobicContact CD2-CG1 4.39Å; Y167-V183 HydrophobicContact CE1-CB 4.34Å; Y167-V183 HydrophobicContact CE1-CG1 4.26Å; Y167-V183 HydrophobicContact CE2-CG1 4.08Å; N181-V183 VanDerWaalsContact C-N 3.27Å; N181-V183 PolarHBondContact O-N 3.27Å; N181-V183 WeakPolarHBondContact OD1-CB 3.33Å; N181-V183 PolarHBondContact OD1-N 2.98Å; N181-V183 VanDerWaalsContact OD1-N 3.08Å; V183-F185 VanDerWaalsContact C-N 3.33Å; V183-F185 PolarHBondContact O-N 3Å; V183-L186 PolarHBondContact O-N 2.99Å; V183-L187 HydrophobicContact CG1-CD1 4.16Å; V183-L187 WeakPolarHBondContact O-CG 3.39Å; V183-L187 PolarHBondContact O-N 3.23Å
184	M	81.2	Confident	76.2	Confident	9 Å²	9	70 Å²	70	4%	0.044	37%	0.37	C	S	.	.	H	α-helix	trans	-65	-38.4	175.7	-77.4	-151.7	-50.1	0	0	112.4	L163 Y167 G171 V173 N181 L187 K188	L163-M184 HydrophobicContact CD2-CB 4.27Å; L163-M184 HydrophobicContact CD2-CG 4.47Å; L163-M184 HydrophobicContact CD2-SD 4.04Å; L163-M184 HydrophobicContact CG-SD 4.45Å; Y167-M184 HydrophobicContact CD1-CG 3.61Å; Y167-M184 HydrophobicContact CE1-CG 4.13Å; G171-M184 WeakPolarHBondContact O-CE 3.47Å; V173-M184 HydrophobicContact CG2-CB 4.14Å; V173-M184 HydrophobicContact CG2-CE 4.17Å; N181-M184 HydrophobicContact CB-CB 4.16Å; N181-M184 HydrophobicContact CB-CE 4.01Å; N181-M184 HydrophobicContact CB-CG 4.24Å; N181-M184 PolarHBondContact O-N 2.79Å; N181-M184 PolarHBondContact OD1-N 3.19Å; M184-L187 PolarHBondContact O-N 2.97Å; M184-K188 WeakPolarHBondContact O-CB 3.29Å; M184-K188 PolarHBondContact O-N 3Å
185	F	80.3	Confident	76.8	Confident	12 Å²	12	72.7 Å²	72.7	5%	0.053	38%	0.38	C	S	.	.	H	α-helix	trans	-60.6	-48.2	175.8	179	-92.9	0	0	0	111.8	L146 V173 L175 F180 N181 P182 V183 L187 K188 F189 Y190 F205	L146-F185 HydrophobicContact CD1-CE2 4.39Å; L146-F185 HydrophobicContact CD1-CZ 4.09Å; L146-F185 HydrophobicContact CD2-CZ 3.83Å; L146-F185 HydrophobicContact CG-CE2 4.45Å; L146-F185 HydrophobicContact CG-CZ 4Å; V173-F185 HydrophobicContact CG1-CB 4.44Å; V173-F185 HydrophobicContact CG1-CD2 3.91Å; V173-F185 WeakPolarHBondContact O-CD2 3.17Å; L175-F185 HydrophobicContact CD2-CE2 4.34Å; L175-F185 HydrophobicContact CG-CE2 4.32Å; F180-F185 HydrophobicContact CE2-CB 3.69Å; F180-F185 AromaticContact CE2-CD2 3.73Å; F180-F185 HydrophobicContact CE2-CD2 3.73Å; F180-F185 AromaticContact CE2-CG 3.86Å; F180-F185 HydrophobicContact CE2-CG 3.86Å; F180-F185 HydrophobicContact CZ-CB 3.72Å; F180-F185 HydrophobicContact CZ-CD1 4.41Å; F180-F185 HydrophobicContact CZ-CD2 4.08Å; F180-F185 AromaticContact CZ-CG 3.83Å; F180-F185 HydrophobicContact CZ-CG 3.83Å; N181-F185 PolarHBondContact O-N 2.9Å; N181-F185 VanDerWaalsContact O-N 3.07Å; P182-F185 PolarHBondContact O-N 2.99Å; V183-F185 VanDerWaalsContact C-N 3.33Å; V183-F185 PolarHBondContact O-N 3Å; F185-L187 VanDerWaalsContact C-N 3.34Å; F185-L187 PolarHBondContact O-N 3.1Å; F185-K188 PolarHBondContact O-N 3.29Å; F185-F189 AromaticContact CD2-CD2 3.58Å; F185-F189 HydrophobicContact CD2-CD2 3.58Å; F185-F189 AromaticContact CD2-CE2 3.59Å; F185-F189 HydrophobicContact CD2-CE2 3.59Å; F185-F189 HydrophobicContact CE1-CD2 4.45Å; F185-F189 AromaticContact CE2-CD2 3.51Å; F185-F189 HydrophobicContact CE2-CD2 3.51Å; F185-F189 AromaticContact CE2-CE2 3.5Å; F185-F189 HydrophobicContact CE2-CE2 3.5Å; F185-F189 HydrophobicContact CG-CD2 4.12Å; F185-F189 AromaticContact CZ-CD2 3.98Å; F185-F189 HydrophobicContact CZ-CD2 3.98Å; F185-F189 HydrophobicContact CZ-CE2 4.36Å; F185-F189 WeakPolarHBondContact O-CD2 3.39Å; F185-F189 PolarHBondContact O-N 2.89Å; F185-F189 VanDerWaalsContact O-N 3.08Å; F185-Y190 HydrophobicContact CE1-CE2 4.05Å; F185-F205 HydrophobicContact CZ-CZ 4.48Å
186	L	79.5	Confident	77.3	Confident	80 Å²	80	74.5 Å²	74.5	42%	0.419	39%	0.391	S	S	.	.	H	α-helix	trans	-63	-39.2	176.8	-72.4	173.4	0	0	0	112.2	P182 V183 Y190 K191 L198	P182-L186 WeakPolarHBondContact O-CG 3.46Å; P182-L186 PolarHBondContact O-N 3.46Å; V183-L186 PolarHBondContact O-N 2.99Å; L186-Y190 HydrophobicContact CD2-CD2 4.15Å; L186-Y190 CarbonylContact O-C 3.38Å; L186-Y190 VanDerWaalsContact O-C 3.32Å; L186-Y190 VanDerWaalsContact O-CA 3.24Å; L186-Y190 WeakPolarHBondContact O-CA 3.35Å; L186-Y190 WeakPolarHBondContact O-CB 3.43Å; L186-Y190 PolarHBondContact O-N 3.42Å; L186-K191 PolarHBondContact O-N 3.49Å; L186-L198 HydrophobicContact CD2-CD2 4.02Å
187	L	80.8	Confident	77.7	Confident	41 Å²	41	72.5 Å²	72.5	22%	0.215	37%	0.366	C	S	.	.	H	α-helix	trans	-66.9	-43.4	175.7	-74.1	169.9	0	0	0	112	L158 L163 I166 Y167 V183 M184 F185 K191	L158-L187 WeakPolarHBondContact CD1-O 3.41Å; L163-L187 HydrophobicContact CD1-CB 3.64Å; I166-L187 HydrophobicContact CG2-CD1 4.41Å; I166-L187 HydrophobicContact CG2-CD2 4.38Å; Y167-L187 HydrophobicContact CD2-CD1 4.46Å; Y167-L187 HydrophobicContact CG-CD1 4.1Å; V183-L187 HydrophobicContact CG1-CD1 4.16Å; V183-L187 WeakPolarHBondContact O-CG 3.39Å; V183-L187 PolarHBondContact O-N 3.23Å; M184-L187 PolarHBondContact O-N 2.97Å; F185-L187 VanDerWaalsContact C-N 3.34Å; F185-L187 PolarHBondContact O-N 3.1Å; L187-K191 WeakPolarHBondContact O-CB 3.47Å
188	K	79.4	Confident	78	Confident	35 Å²	35	71.3 Å²	71.3	15%	0.152	36%	0.36	C	S	.	.	H	α-helix	trans	-66.6	-41.6	-177.3	-175.4	154	172.8	-177.9	0	112.5	P157 L158 D160 L163 V173 M184 F185	P157-K188 VanDerWaalsContact CA-O 3.31Å; P157-K188 WeakPolarHBondContact CA-O 3.49Å; P157-K188 HydrophobicContact CB-CG 4.29Å; L158-K188 PolarHBondContact N-O 2.97Å; L158-K188 VanDerWaalsContact N-O 3.07Å; L158-K188 WeakPolarHBondContact O-CE 3.45Å; D160-K188 IonicContact OD1-NZ 2.91Å; D160-K188 PolarHBondContact OD1-NZ 3.26Å; D160-K188 IonicContact OD2-NZ 2.7Å; D160-K188 PolarHBondContact OD2-NZ 3.35Å; L163-K188 HydrophobicContact CD1-CB 4.24Å; L163-K188 HydrophobicContact CD2-CB 4.19Å; L163-K188 HydrophobicContact CD2-CD 4.1Å; V173-K188 HydrophobicContact CB-CD 4.39Å; V173-K188 HydrophobicContact CG1-CB 4.32Å; V173-K188 HydrophobicContact CG1-CD 4.02Å; V173-K188 HydrophobicContact CG2-CD 4.03Å; M184-K188 WeakPolarHBondContact O-CB 3.29Å; M184-K188 PolarHBondContact O-N 3Å; F185-K188 PolarHBondContact O-N 3.29Å
189	F	77.2	Confident	78.3	Confident	16 Å²	16	65.7 Å²	65.7	7%	0.07	34%	0.339	C	S	.	.	H	α-helix	trans	-104.8	-29.1	-173	-62.6	-64.6	0	0	0	114.8	T144 L146 I154 P157 V173 F185	T144-F189 HydrophobicContact CG2-CE1 4.06Å; T144-F189 HydrophobicContact CG2-CZ 3.73Å; L146-F189 HydrophobicContact CD1-CD1 4.46Å; L146-F189 HydrophobicContact CD1-CD2 4.35Å; L146-F189 HydrophobicContact CD1-CE2 4.46Å; L146-F189 HydrophobicContact CD1-CG 4.35Å; I154-F189 HydrophobicContact CD1-CB 4.07Å; I154-F189 HydrophobicContact CD1-CD1 4.29Å; I154-F189 HydrophobicContact CD1-CG 4.39Å; I154-F189 HydrophobicContact CG1-CB 4.39Å; I154-F189 HydrophobicContact CG2-CB 4.24Å; I154-F189 HydrophobicContact CG2-CD1 4.15Å; I154-F189 WeakPolarHBondContact CG2-O 3.45Å; P157-F189 HydrophobicContact CB-CD1 4.01Å; P157-F189 HydrophobicContact CB-CE1 4.12Å; V173-F189 HydrophobicContact CG1-CD2 4.15Å; V173-F189 HydrophobicContact CG1-CE2 3.37Å; V173-F189 HydrophobicContact CG1-CZ 4.05Å; F185-F189 AromaticContact CD2-CD2 3.58Å; F185-F189 HydrophobicContact CD2-CD2 3.58Å; F185-F189 AromaticContact CD2-CE2 3.59Å; F185-F189 HydrophobicContact CD2-CE2 3.59Å; F185-F189 HydrophobicContact CE1-CD2 4.45Å; F185-F189 AromaticContact CE2-CD2 3.51Å; F185-F189 HydrophobicContact CE2-CD2 3.51Å; F185-F189 AromaticContact CE2-CE2 3.5Å; F185-F189 HydrophobicContact CE2-CE2 3.5Å; F185-F189 HydrophobicContact CG-CD2 4.12Å; F185-F189 AromaticContact CZ-CD2 3.98Å; F185-F189 HydrophobicContact CZ-CD2 3.98Å; F185-F189 HydrophobicContact CZ-CE2 4.36Å; F185-F189 WeakPolarHBondContact O-CD2 3.39Å; F185-F189 PolarHBondContact O-N 2.89Å; F185-F189 VanDerWaalsContact O-N 3.08Å
190	Y	76.6	Confident	78.2	Confident	14 Å²	14	62.6 Å²	62.6	6%	0.055	32%	0.324	C	S	.	.	H	α-helix	trans	-120.5	14.3	-170.4	-65.5	-86.9	0	0	0	114.3	E150 I154 F185 L186 N192 S193 T201	E150-Y190 PolarHBondContact OE2-OH 3.49Å; I154-Y190 HydrophobicContact CD1-CE2 4.43Å; I154-Y190 HydrophobicContact CG1-CE1 4.29Å; F185-Y190 HydrophobicContact CE1-CE2 4.05Å; L186-Y190 HydrophobicContact CD2-CD2 4.15Å; L186-Y190 CarbonylContact O-C 3.38Å; L186-Y190 VanDerWaalsContact O-C 3.32Å; L186-Y190 VanDerWaalsContact O-CA 3.24Å; L186-Y190 WeakPolarHBondContact O-CA 3.35Å; L186-Y190 WeakPolarHBondContact O-CB 3.43Å; L186-Y190 PolarHBondContact O-N 3.42Å; Y190-N192 PolarHBondContact O-N 2.96Å; Y190-N192 VanDerWaalsContact O-N 3.15Å; Y190-S193 WeakPolarHBondContact CA-OG 3.34Å; Y190-S193 WeakPolarHBondContact CD1-OG 3.49Å; Y190-S193 WeakPolarHBondContact O-CB 3.34Å; Y190-S193 PolarHBondContact O-N 3.35Å; Y190-S193 VanDerWaalsContact O-N 3.1Å; Y190-T201 HydrophobicContact CE1-CG2 4Å; Y190-T201 WeakPolarHBondContact CE1-OG1 2.91Å; Y190-T201 HydrophobicContact CE2-CG2 4.44Å; Y190-T201 WeakPolarHBondContact OH-CG2 3.39Å
191	K	73.7	Confident	77.7	Confident	112 Å²	112	59.8 Å²	59.8	49%	0.487	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-36.2	-178.9	172.2	177.5	173.3	-175	0	113.9	L158 I166 L186 L187	L158-K191 HydrophobicContact CD1-CB 4.37Å; L158-K191 HydrophobicContact CD1-CD 3.72Å; L158-K191 HydrophobicContact CD2-CD 4.15Å; L158-K191 HydrophobicContact CG-CD 4.32Å; I166-K191 HydrophobicContact CD1-CD 4.22Å; I166-K191 VanDerWaalsContact CD1-NZ 3.33Å; L186-K191 PolarHBondContact O-N 3.49Å; L187-K191 WeakPolarHBondContact O-CB 3.47Å
192	N	71.8	Confident	77.6	Confident	121 Å²	121	61.4 Å²	61.4	65%	0.647	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	6.9	-177.1	-61.8	-21.3	0	0	0	113.2	Y190	Y190-N192 PolarHBondContact O-N 2.96Å; Y190-N192 VanDerWaalsContact O-N 3.15Å
193	S	76.5	Confident	77.3	Confident	26 Å²	26	64.2 Å²	64.2	18%	0.182	33%	0.328	C	S	.	.			trans	-83.1	145	-175.1	-57	0	0	0	0	111.8	Y190	Y190-S193 WeakPolarHBondContact CA-OG 3.34Å; Y190-S193 WeakPolarHBondContact CD1-OG 3.49Å; Y190-S193 WeakPolarHBondContact O-CB 3.34Å; Y190-S193 PolarHBondContact O-N 3.35Å; Y190-S193 VanDerWaalsContact O-N 3.1Å
194	N	78.6	Confident	76.8	Confident	80 Å²	80	62.6 Å²	62.6	43%	0.428	32%	0.317	S	S	.	.			trans	-80.6	167.3	177.2	74.5	52.9	0	0	0	111.1	N196 D197 L198	N194-N196 VanDerWaalsContact C-N 3.29Å; N194-N196 PolarHBondContact O-N 2.96Å; N194-N196 VanDerWaalsContact OD1-CA 3.28Å; N194-N196 WeakPolarHBondContact OD1-CA 3.34Å; N194-N196 VanDerWaalsContact OD1-CB 3.25Å; N194-N196 WeakPolarHBondContact OD1-CB 3.26Å; N194-N196 PolarHBondContact OD1-N 2.8Å; N194-D197 PolarHBondContact N-OD2 3.24Å; N194-D197 PolarHBondContact ND2-OD1 3.04Å; N194-D197 PolarHBondContact ND2-OD2 3.3Å; N194-D197 WeakPolarHBondContact O-CB 3.45Å; N194-D197 PolarHBondContact O-N 3.45Å; N194-D197 VanDerWaalsContact OD1-CG 3.26Å; N194-D197 PolarHBondContact OD1-N 3.08Å; N194-D197 PolarHBondContact OD1-OD1 3.13Å; N194-D197 PolarHBondContact OD1-OD2 3.41Å; N194-L198 PolarHBondContact O-N 3.43Å
195	F	80.1	Confident	76.3	Confident	152 Å²	152	64.9 Å²	64.9	67%	0.667	33%	0.327	S	S	*	.	H	α-helix	trans	-62.8	-31.9	-179.8	-179.3	-104.3	0	0	0	113.8	L198 L199	F195-L198 PolarHBondContact O-N 3.26Å; F195-L199 HydrophobicContact CD1-CD1 3.95Å; F195-L199 HydrophobicContact CE1-CD1 3.49Å; F195-L199 VanDerWaalsContact CE1-CD1 3.49Å; F195-L199 HydrophobicContact CE1-CG 4.14Å; F195-L199 HydrophobicContact CZ-CD1 4.09Å; F195-L199 HydrophobicContact CZ-CG 4.3Å; F195-L199 PolarHBondContact O-N 2.6Å; F195-L199 VanDerWaalsContact O-N 3.15Å
196	N	79.8	Confident	75.8	Confident	112 Å²	112	72.9 Å²	72.9	60%	0.599	36%	0.357	S	S	*	.	H	α-helix	trans	-69	-35.4	175.7	-68.5	-35.5	0	0	0	111.6	N194 L199 V200	N194-N196 VanDerWaalsContact C-N 3.29Å; N194-N196 PolarHBondContact O-N 2.96Å; N194-N196 VanDerWaalsContact OD1-CA 3.28Å; N194-N196 WeakPolarHBondContact OD1-CA 3.34Å; N194-N196 VanDerWaalsContact OD1-CB 3.25Å; N194-N196 WeakPolarHBondContact OD1-CB 3.26Å; N194-N196 PolarHBondContact OD1-N 2.8Å; N196-L199 PolarHBondContact O-N 3.4Å; N196-V200 WeakPolarHBondContact O-CG2 3.23Å; N196-V200 PolarHBondContact O-N 3.2Å; N196-V200 VanDerWaalsContact O-N 3.08Å
197	D	73.6	Confident	75.3	Confident	57 Å²	57	74.8 Å²	74.8	31%	0.305	36%	0.363	S	S	.	.	H	α-helix	trans	-62.3	-47.5	176.2	-56.2	-25.3	0	0	0	109.7	N194 L199 V200 T201	N194-D197 PolarHBondContact N-OD2 3.24Å; N194-D197 PolarHBondContact ND2-OD1 3.04Å; N194-D197 PolarHBondContact ND2-OD2 3.3Å; N194-D197 WeakPolarHBondContact O-CB 3.45Å; N194-D197 PolarHBondContact O-N 3.45Å; N194-D197 VanDerWaalsContact OD1-CG 3.26Å; N194-D197 PolarHBondContact OD1-N 3.08Å; N194-D197 PolarHBondContact OD1-OD1 3.13Å; N194-D197 PolarHBondContact OD1-OD2 3.41Å; D197-L199 VanDerWaalsContact C-N 3.3Å; D197-L199 PolarHBondContact O-N 3.49Å; D197-V200 PolarHBondContact O-N 2.92Å; D197-V200 VanDerWaalsContact O-N 3.12Å; D197-T201 PolarHBondContact O-N 3.47Å; D197-T201 PolarHBondContact O-OG1 2.95Å; D197-T201 VanDerWaalsContact O-OG1 3.08Å
198	L	74.9	Confident	74.3	Confident	57 Å²	57	74 Å²	74	30%	0.298	36%	0.361	S	S	.	.	H	α-helix	trans	-58.5	-38.5	175.7	-83.8	147.4	0	0	0	112.9	L186 N194 F195 T201 V202	L186-L198 HydrophobicContact CD2-CD2 4.02Å; N194-L198 PolarHBondContact O-N 3.43Å; F195-L198 PolarHBondContact O-N 3.26Å; L198-T201 PolarHBondContact O-N 2.75Å; L198-V202 WeakPolarHBondContact O-CG2 3.12Å; L198-V202 PolarHBondContact O-N 2.99Å
199	L	80.4	Confident	73.3	Confident	94 Å²	94	78.2 Å²	78.2	49%	0.492	38%	0.383	S	S	.	.	H	α-helix	trans	-65.1	-40.9	175.4	-84.9	169.1	0	0	0	112.5	F195 N196 D197 K203	F195-L199 HydrophobicContact CD1-CD1 3.95Å; F195-L199 HydrophobicContact CE1-CD1 3.49Å; F195-L199 VanDerWaalsContact CE1-CD1 3.49Å; F195-L199 HydrophobicContact CE1-CG 4.14Å; F195-L199 HydrophobicContact CZ-CD1 4.09Å; F195-L199 HydrophobicContact CZ-CG 4.3Å; F195-L199 PolarHBondContact O-N 2.6Å; F195-L199 VanDerWaalsContact O-N 3.15Å; N196-L199 PolarHBondContact O-N 3.4Å; D197-L199 VanDerWaalsContact C-N 3.3Å; D197-L199 PolarHBondContact O-N 3.49Å; L199-K203 PolarHBondContact O-N 3.17Å
200	V	75.2	Confident	72.2	Confident	59 Å²	59	80.2 Å²	80.2	36%	0.358	41%	0.408	S	S	.	.	H	α-helix	trans	-66.1	-43.9	175.7	174.1	0	0	0	0	110.4	N196 D197 V202 K203 N204	N196-V200 WeakPolarHBondContact O-CG2 3.23Å; N196-V200 PolarHBondContact O-N 3.2Å; N196-V200 VanDerWaalsContact O-N 3.08Å; D197-V200 PolarHBondContact O-N 2.92Å; D197-V200 VanDerWaalsContact O-N 3.12Å; V200-V202 PolarHBondContact O-N 2.99Å; V200-K203 WeakPolarHBondContact O-CB 3.4Å; V200-K203 PolarHBondContact O-N 3.44Å; V200-K203 VanDerWaalsContact O-N 3.1Å; V200-N204 PolarHBondContact O-N 3.46Å; V200-N204 PolarHBondContact O-ND2 3.21Å
201	T	71.3	Confident	71.2	Confident	6 Å²	6	86.1 Å²	86.1	4%	0.037	44%	0.436	C	S	.	.	H	α-helix	trans	-58	-47.1	175.7	-62.2	0	0	0	0	111.6	E150 Y190 D197 L198 K203 N204 F205	E150-T201 WeakPolarHBondContact OE2-CA 3.35Å; E150-T201 VanDerWaalsContact OE2-CB 3.27Å; E150-T201 WeakPolarHBondContact OE2-CB 3.16Å; E150-T201 WeakPolarHBondContact OE2-CG2 3.43Å; E150-T201 PolarHBondContact OE2-OG1 3.23Å; Y190-T201 HydrophobicContact CE1-CG2 4Å; Y190-T201 WeakPolarHBondContact CE1-OG1 2.91Å; Y190-T201 HydrophobicContact CE2-CG2 4.44Å; Y190-T201 WeakPolarHBondContact OH-CG2 3.39Å; D197-T201 PolarHBondContact O-N 3.47Å; D197-T201 PolarHBondContact O-OG1 2.95Å; D197-T201 VanDerWaalsContact O-OG1 3.08Å; L198-T201 PolarHBondContact O-N 2.75Å; T201-K203 VanDerWaalsContact C-N 3.28Å; T201-K203 PolarHBondContact O-N 3.49Å; T201-N204 PolarHBondContact O-N 2.88Å; T201-F205 HydrophobicContact CG2-CD2 3.59Å; T201-F205 HydrophobicContact CG2-CE2 3.41Å; T201-F205 VanDerWaalsContact CG2-CE2 3.41Å; T201-F205 VanDerWaalsContact O-CD2 3.3Å; T201-F205 WeakPolarHBondContact O-CD2 3.34Å; T201-F205 PolarHBondContact O-N 3.26Å
202	V	75.7	Confident	69.8	Low	64 Å²	64	86.3 Å²	86.3	39%	0.388	44%	0.439	S	S	.	.	H	α-helix	trans	-61	-38.3	175.5	167.9	0	0	0	0	111.4	L198 V200 R206	L198-V202 WeakPolarHBondContact O-CG2 3.12Å; L198-V202 PolarHBondContact O-N 2.99Å; V200-V202 PolarHBondContact O-N 2.99Å; V202-R206 WeakPolarHBondContact O-CB 2.95Å; V202-R206 VanDerWaalsContact O-CG 3.27Å; V202-R206 WeakPolarHBondContact O-CG 3.47Å; V202-R206 PolarHBondContact O-N 3.01Å
203	K	76.6	Confident	68.5	Low	136 Å²	136	82.1 Å²	82.1	59%	0.591	43%	0.425	S	S	*	.	H	α-helix	trans	-66.2	-39.9	176.4	-168.2	-179.6	179.1	-177.2	0	111.8	L199 V200 T201 R206 Q207	L199-K203 PolarHBondContact O-N 3.17Å; V200-K203 WeakPolarHBondContact O-CB 3.4Å; V200-K203 PolarHBondContact O-N 3.44Å; V200-K203 VanDerWaalsContact O-N 3.1Å; T201-K203 VanDerWaalsContact C-N 3.28Å; T201-K203 PolarHBondContact O-N 3.49Å; K203-R206 PolarHBondContact O-N 3.33Å; K203-Q207 PolarHBondContact O-N 3.38Å
204	N	70.8	Confident	67.2	Low	31 Å²	31	86.9 Å²	86.9	17%	0.166	46%	0.455	C	S	.	.	H	α-helix	trans	-69.2	-43.2	177.3	-66.7	-19.8	0	0	0	111.7	E150 R153 V200 T201 R206 Q207 S208	E150-N204 PolarHBondContact OE1-ND2 3.29Å; R153-N204 PolarHBondContact NH2-ND2 3.21Å; V200-N204 PolarHBondContact O-N 3.46Å; V200-N204 PolarHBondContact O-ND2 3.21Å; T201-N204 PolarHBondContact O-N 2.88Å; N204-R206 VanDerWaalsContact C-N 3.29Å; N204-R206 PolarHBondContact O-N 2.91Å; N204-Q207 PolarHBondContact O-N 2.85Å; N204-Q207 VanDerWaalsContact O-N 3.14Å; N204-S208 WeakPolarHBondContact O-CB 3.39Å; N204-S208 PolarHBondContact O-N 2.85Å
205	F	69.1	Low	65.7	Low	58 Å²	58	85.4 Å²	85.4	25%	0.254	46%	0.458	S	S	.	.	H	α-helix	trans	-60.1	-40.9	171.8	-81.6	-59.2	0	0	0	111.7	L146 F185 T201 Q207 S208 M209	L146-F205 HydrophobicContact CD2-CE1 4.29Å; L146-F205 HydrophobicContact CD2-CE2 4.41Å; L146-F205 HydrophobicContact CD2-CZ 3.59Å; F185-F205 HydrophobicContact CZ-CZ 4.48Å; T201-F205 HydrophobicContact CG2-CD2 3.59Å; T201-F205 HydrophobicContact CG2-CE2 3.41Å; T201-F205 VanDerWaalsContact CG2-CE2 3.41Å; T201-F205 VanDerWaalsContact O-CD2 3.3Å; T201-F205 WeakPolarHBondContact O-CD2 3.34Å; T201-F205 PolarHBondContact O-N 3.26Å; F205-Q207 VanDerWaalsContact C-N 3.34Å; F205-Q207 PolarHBondContact O-N 3.43Å; F205-S208 PolarHBondContact O-N 3.19Å; F205-M209 WeakPolarHBondContact O-CB 3.34Å; F205-M209 WeakPolarHBondContact O-CG 3.41Å; F205-M209 PolarHBondContact O-N 3.08Å
206	R	70.9	Confident	64.3	Low	180 Å²	180	83.6 Å²	83.6	68%	0.679	45%	0.452	S	S	*	.	H	α-helix	trans	-65.8	-34.8	174.4	-76.3	178.4	179.4	170.2	1.6	113	V202 K203 N204 G210	V202-R206 WeakPolarHBondContact O-CB 2.95Å; V202-R206 VanDerWaalsContact O-CG 3.27Å; V202-R206 WeakPolarHBondContact O-CG 3.47Å; V202-R206 PolarHBondContact O-N 3.01Å; K203-R206 PolarHBondContact O-N 3.33Å; N204-R206 VanDerWaalsContact C-N 3.29Å; N204-R206 PolarHBondContact O-N 2.91Å; R206-G210 PolarHBondContact O-N 2.82Å
207	Q	67.6	Low	62.8	Low	119 Å²	119	82.1 Å²	82.1	56%	0.556	45%	0.448	S	S	*	.	H	α-helix	trans	-69.9	-40.4	173.3	-81.6	-175.1	-16.2	0	0	111.8	K203 N204 F205 G210 Q211	K203-Q207 PolarHBondContact O-N 3.38Å; N204-Q207 PolarHBondContact O-N 2.85Å; N204-Q207 VanDerWaalsContact O-N 3.14Å; F205-Q207 VanDerWaalsContact C-N 3.34Å; F205-Q207 PolarHBondContact O-N 3.43Å; Q207-G210 CarbonylContact O-C 3.32Å; Q207-G210 WeakPolarHBondContact O-CA 3.06Å; Q207-G210 PolarHBondContact O-N 2.94Å; Q207-G210 VanDerWaalsContact O-N 3.17Å; Q207-Q211 PolarHBondContact O-N 3.32Å
208	S	60.7	Low	62.1	Low	25 Å²	25	82.9 Å²	82.9	18%	0.175	46%	0.455	C	S	.	.	H	α-helix	trans	-64.5	-47.8	175.9	-158.2	0	0	0	0	111	N204 F205 G210 Q211 E212	N204-S208 WeakPolarHBondContact O-CB 3.39Å; N204-S208 PolarHBondContact O-N 2.85Å; F205-S208 PolarHBondContact O-N 3.19Å; S208-G210 PolarHBondContact O-N 2.83Å; S208-Q211 PolarHBondContact O-N 3.04Å; S208-Q211 VanDerWaalsContact O-N 3.1Å; S208-E212 PolarHBondContact O-N 2.93Å; S208-E212 VanDerWaalsContact O-N 3.11Å
209	M	58	Low	61.4	Low	123 Å²	123	84.3 Å²	84.3	61%	0.606	46%	0.463	S	S	*	.	H	α-helix	trans	-65.3	-24.9	172.7	-69.2	-152	-56.8	0	0	112.7	F205 E212	F205-M209 WeakPolarHBondContact O-CB 3.34Å; F205-M209 WeakPolarHBondContact O-CG 3.41Å; F205-M209 PolarHBondContact O-N 3.08Å; M209-E212 CarbonylContact O-C 3.57Å; M209-E212 PolarHBondContact O-N 2.99Å
210	G	55.5	Low	60.4	Low	59 Å²	59	84 Å²	84	61%	0.608	47%	0.465	S	S	*	.	H	α-helix	trans	-75.1	-27.6	173.5	0	0	0	0	0	113.4	R206 Q207 S208	R206-G210 PolarHBondContact O-N 2.82Å; Q207-G210 CarbonylContact O-C 3.32Å; Q207-G210 WeakPolarHBondContact O-CA 3.06Å; Q207-G210 PolarHBondContact O-N 2.94Å; Q207-G210 VanDerWaalsContact O-N 3.17Å; S208-G210 PolarHBondContact O-N 2.83Å
211	Q	53.9	Low	59.6	Low	137 Å²	137	85.8 Å²	85.8	64%	0.64	47%	0.471	S	S	*	.	H	α-helix	trans	-75.1	-28.3	169.3	-73.9	-175.3	-7.1	0	0	111.4	Q207 S208 G213	Q207-Q211 PolarHBondContact O-N 3.32Å; S208-Q211 PolarHBondContact O-N 3.04Å; S208-Q211 VanDerWaalsContact O-N 3.1Å; Q211-G213 PolarHBondContact O-N 2.87Å
212	E	45.3	Very low	59.1	Low	117 Å²	117	93.1 Å²	93.1	55%	0.547	50%	0.498	S	S	.	.			trans	-71.5	56.9	166.3	-64.2	-178.8	170.1	0	0	111.8	S208 M209	S208-E212 PolarHBondContact O-N 2.93Å; S208-E212 VanDerWaalsContact O-N 3.11Å; M209-E212 CarbonylContact O-C 3.57Å; M209-E212 PolarHBondContact O-N 2.99Å
213	G	43.5	Very low	58.5	Low	33 Å²	33	94.6 Å²	94.6	34%	0.34	51%	0.508	S	S	.	.			trans	-60.1	150.9	161.4	0	0	0	0	0	109.6	Q211 G215 E216	Q211-G213 PolarHBondContact O-N 2.87Å; G213-G215 PolarHBondContact O-N 2.79Å; G213-E216 PolarHBondContact O-N 3.37Å
214	P	49	Very low	57.8	Low	125 Å²	125	91.4 Å²	91.4	81%	0.812	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	3.6	-174.5	22.9	-33.1	0	0	0	115.7
215	G	47.5	Very low	58	Low	49 Å²	49	93.2 Å²	93.2	51%	0.505	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-22	176.6	0	0	0	0	0	115.6	G213 N219	G213-G215 PolarHBondContact O-N 2.79Å; G215-N219 PolarHBondContact O-N 2.75Å
216	E	50.8	Low	58.3	Low	114 Å²	114	95.9 Å²	95.9	53%	0.533	53%	0.527	S	S	.	.	H	α-helix	trans	-74.1	-42.6	-173.9	-99.3	-176.9	167	0	0	115.7	G213 V218 N219 V220	G213-E216 PolarHBondContact O-N 3.37Å; E216-V218 VanDerWaalsContact C-N 3.25Å; E216-V218 PolarHBondContact O-N 3.1Å; E216-N219 WeakPolarHBondContact O-CA 3.45Å; E216-N219 PolarHBondContact O-N 3.17Å; E216-V220 PolarHBondContact O-N 2.89Å
217	P	49.2	Very low	58.3	Low	81 Å²	81	92.1 Å²	92.1	53%	0.526	52%	0.52	S	S	.	.	H	α-helix	trans	-61	-38.9	178	-20.2	30	0	0	0	111.7	N219 V220 I221	P217-N219 VanDerWaalsContact C-N 3.28Å; P217-N219 PolarHBondContact O-N 3.05Å; P217-V220 PolarHBondContact O-N 3.21Å; P217-I221 VanDerWaalsContact O-CG1 3.31Å; P217-I221 WeakPolarHBondContact O-CG1 3.39Å; P217-I221 PolarHBondContact O-N 2.85Å
218	V	57.9	Low	58.7	Low	74 Å²	74	90.3 Å²	90.3	45%	0.448	51%	0.514	S	S	.	.	H	α-helix	trans	-63.5	-37.9	176.4	-175.7	0	0	0	0	110.2	E216 R222	E216-V218 VanDerWaalsContact C-N 3.25Å; E216-V218 PolarHBondContact O-N 3.1Å; V218-R222 WeakPolarHBondContact O-CB 3.4Å; V218-R222 PolarHBondContact O-N 3.23Å
219	N	60.4	Low	59.6	Low	86 Å²	86	95 Å²	95	46%	0.46	53%	0.531	S	S	.	.	H	α-helix	trans	-71.6	-40.8	177.2	-114.5	7.3	0	0	0	112.6	G215 E216 P217 I221 R222 T223	G215-N219 PolarHBondContact O-N 2.75Å; E216-N219 WeakPolarHBondContact O-CA 3.45Å; E216-N219 PolarHBondContact O-N 3.17Å; P217-N219 VanDerWaalsContact C-N 3.28Å; P217-N219 PolarHBondContact O-N 3.05Å; N219-I221 PolarHBondContact O-N 2.79Å; N219-R222 PolarHBondContact O-N 3.23Å; N219-R222 PolarHBondContact OD1-NH1 3.43Å; N219-T223 WeakPolarHBondContact O-CB 3.4Å; N219-T223 PolarHBondContact O-N 3Å; N219-T223 PolarHBondContact O-OG1 3Å
220	V	59.5	Low	60.6	Low	89 Å²	89	98.1 Å²	98.1	54%	0.539	54%	0.536	S	S	.	.	H	α-helix	trans	-63.1	-43.7	176.4	176.5	0	0	0	0	111.2	E216 P217 T223 N224	E216-V220 PolarHBondContact O-N 2.89Å; P217-V220 PolarHBondContact O-N 3.21Å; V220-T223 PolarHBondContact O-N 3.47Å; V220-N224 WeakPolarHBondContact O-CB 3.11Å; V220-N224 PolarHBondContact O-N 3.09Å; V220-N224 PolarHBondContact O-ND2 2.84Å
221	I	59.1	Low	61.6	Low	95 Å²	95	99.2 Å²	99.2	49%	0.487	53%	0.533	S	S	.	.	H	α-helix	trans	-61.7	-50.1	173.3	-65.5	169.2	0	0	0	109.2	P217 N219 T223 N224 L225	P217-I221 VanDerWaalsContact O-CG1 3.31Å; P217-I221 WeakPolarHBondContact O-CG1 3.39Å; P217-I221 PolarHBondContact O-N 2.85Å; N219-I221 PolarHBondContact O-N 2.79Å; I221-T223 PolarHBondContact O-N 2.83Å; I221-N224 CarbonylContact O-C 3.58Å; I221-N224 PolarHBondContact O-N 3Å; I221-L225 HydrophobicContact CG2-CD2 4.36Å; I221-L225 HydrophobicContact CG2-CG 4.18Å; I221-L225 WeakPolarHBondContact O-CA 3.47Å; I221-L225 VanDerWaalsContact O-CG 3.27Å; I221-L225 WeakPolarHBondContact O-CG 3.41Å; I221-L225 PolarHBondContact O-N 2.93Å
222	R	60.8	Low	63.2	Low	160 Å²	160	97.2 Å²	97.2	60%	0.604	53%	0.526	S	S	*	.	H	α-helix	trans	-60.1	-33.4	-178.6	-164.9	-175.9	-73.7	145.1	-9.9	112.6	V218 N219	V218-R222 WeakPolarHBondContact O-CB 3.4Å; V218-R222 PolarHBondContact O-N 3.23Å; N219-R222 PolarHBondContact O-N 3.23Å; N219-R222 PolarHBondContact OD1-NH1 3.43Å
223	T	62.5	Low	65	Low	96 Å²	96	96.5 Å²	96.5	59%	0.589	53%	0.526	S	S	*	.	H	α-helix	trans	-78.5	-34.4	179.7	-46.2	0	0	0	0	112	N219 V220 I221	N219-T223 WeakPolarHBondContact O-CB 3.4Å; N219-T223 PolarHBondContact O-N 3Å; N219-T223 PolarHBondContact O-OG1 3Å; V220-T223 PolarHBondContact O-N 3.47Å; I221-T223 PolarHBondContact O-N 2.83Å
224	N	61.3	Low	66.9	Low	69 Å²	69	96.7 Å²	96.7	37%	0.369	53%	0.529	S	S	.	.	H	α-helix	trans	-102.9	5.6	-178.3	-68.4	-61.8	0	0	0	115	V220 I221 V226 L227 I228	V220-N224 WeakPolarHBondContact O-CB 3.11Å; V220-N224 PolarHBondContact O-N 3.09Å; V220-N224 PolarHBondContact O-ND2 2.84Å; I221-N224 CarbonylContact O-C 3.58Å; I221-N224 PolarHBondContact O-N 3Å; N224-V226 PolarHBondContact O-N 2.94Å; N224-V226 VanDerWaalsContact O-N 3.11Å; N224-L227 PolarHBondContact O-N 2.79Å; N224-I228 PolarHBondContact O-N 2.88Å; N224-I228 VanDerWaalsContact O-N 3.13Å
225	L	76.6	Confident	68.4	Low	68 Å²	68	97.2 Å²	97.2	36%	0.356	52%	0.522	S	S	.	.	H	α-helix	trans	-49.8	-41.4	-178.2	-101.5	170.2	0	0	0	112.6	I221 L227 I228 F229	I221-L225 HydrophobicContact CG2-CD2 4.36Å; I221-L225 HydrophobicContact CG2-CG 4.18Å; I221-L225 WeakPolarHBondContact O-CA 3.47Å; I221-L225 VanDerWaalsContact O-CG 3.27Å; I221-L225 WeakPolarHBondContact O-CG 3.41Å; I221-L225 PolarHBondContact O-N 2.93Å; L225-L227 PolarHBondContact O-N 3.44Å; L225-I228 PolarHBondContact O-N 3.45Å; L225-F229 HydrophobicContact CD2-CD2 4.24Å; L225-F229 HydrophobicContact CD2-CE2 3.61Å; L225-F229 HydrophobicContact CD2-CZ 4.29Å; L225-F229 WeakPolarHBondContact O-CD2 3.29Å; L225-F229 PolarHBondContact O-N 3.12Å
226	V	74.7	Confident	70.3	Confident	114 Å²	114	98.7 Å²	98.7	69%	0.691	52%	0.518	S	S	*	.	H	α-helix	trans	-64.4	-40.5	-179.8	-179.8	0	0	0	0	112	N224 R230	N224-V226 PolarHBondContact O-N 2.94Å; N224-V226 VanDerWaalsContact O-N 3.11Å; V226-R230 WeakPolarHBondContact O-CB 3.43Å; V226-R230 PolarHBondContact O-N 2.78Å
227	L	71.5	Confident	71.9	Confident	102 Å²	102	96.6 Å²	96.6	53%	0.534	52%	0.516	S	S	.	.	H	α-helix	trans	-69.5	-38.1	178.8	-75.1	167	0	0	0	111.7	N224 L225 R230 C231	N224-L227 PolarHBondContact O-N 2.79Å; L225-L227 PolarHBondContact O-N 3.44Å; L227-R230 PolarHBondContact O-N 3.31Å; L227-C231 PolarHBondContact O-N 3.4Å; L227-C231 PolarHBondContact O-SG 2.89Å
228	I	75.9	Confident	73.3	Confident	81 Å²	81	97.6 Å²	97.6	42%	0.415	52%	0.516	S	S	.	.	H	α-helix	trans	-63.4	-48.4	177.6	-64.3	169.7	0	0	0	110.2	N224 L225 R230 C231 L232	N224-I228 PolarHBondContact O-N 2.88Å; N224-I228 VanDerWaalsContact O-N 3.13Å; L225-I228 PolarHBondContact O-N 3.45Å; I228-R230 VanDerWaalsContact C-N 3.32Å; I228-R230 PolarHBondContact O-N 3.3Å; I228-C231 PolarHBondContact O-N 3.14Å; I228-L232 HydrophobicContact CG2-CD1 4.09Å; I228-L232 PolarHBondContact O-N 2.92Å
229	F	79.2	Confident	74.5	Confident	122 Å²	122	102 Å²	102	54%	0.535	53%	0.525	S	S	.	.	H	α-helix	trans	-62.1	-39.6	176	-76.6	-59.3	0	0	0	112.3	L225 C231 L232 D233	L225-F229 HydrophobicContact CD2-CD2 4.24Å; L225-F229 HydrophobicContact CD2-CE2 3.61Å; L225-F229 HydrophobicContact CD2-CZ 4.29Å; L225-F229 WeakPolarHBondContact O-CD2 3.29Å; L225-F229 PolarHBondContact O-N 3.12Å; F229-C231 VanDerWaalsContact C-N 3.35Å; F229-C231 PolarHBondContact O-N 2.91Å; F229-L232 PolarHBondContact O-N 2.75Å; F229-D233 WeakPolarHBondContact O-CB 3.45Å; F229-D233 PolarHBondContact O-N 3.32Å
230	R	77.9	Confident	75.6	Confident	189 Å²	189	105.3 Å²	105.3	71%	0.713	53%	0.531	S	S	*	.	H	α-helix	trans	-65.8	-36.1	178.3	-156.1	178.5	-166.5	177.6	3.7	113	V226 L227 I228 G234	V226-R230 WeakPolarHBondContact O-CB 3.43Å; V226-R230 PolarHBondContact O-N 2.78Å; L227-R230 PolarHBondContact O-N 3.31Å; I228-R230 VanDerWaalsContact C-N 3.32Å; I228-R230 PolarHBondContact O-N 3.3Å; R230-G234 PolarHBondContact O-N 2.97Å
231	C	77.8	Confident	76.7	Confident	82 Å²	82	109.1 Å²	109.1	55%	0.554	54%	0.536	S	S	*	.	H	α-helix	trans	-69.5	-41.8	174	-65.9	0	0	0	0	111.3	L227 I228 F229 G234 M235	L227-C231 PolarHBondContact O-N 3.4Å; L227-C231 PolarHBondContact O-SG 2.89Å; I228-C231 PolarHBondContact O-N 3.14Å; F229-C231 VanDerWaalsContact C-N 3.35Å; F229-C231 PolarHBondContact O-N 2.91Å; C231-G234 PolarHBondContact O-N 2.89Å; C231-M235 WeakPolarHBondContact O-CB 3.3Å; C231-M235 VanDerWaalsContact O-CG 3.31Å; C231-M235 WeakPolarHBondContact O-CG 3.39Å; C231-M235 PolarHBondContact O-N 2.8Å
232	L	86.3	Confident	77.7	Confident	95 Å²	95	109.5 Å²	109.5	50%	0.497	54%	0.538	S	S	.	.	H	α-helix	trans	-61.3	-47.4	175	-83.8	162.7	0	0	0	111.6	I228 F229 G234 M235 D236	I228-L232 HydrophobicContact CG2-CD1 4.09Å; I228-L232 PolarHBondContact O-N 2.92Å; F229-L232 PolarHBondContact O-N 2.75Å; L232-G234 VanDerWaalsContact C-N 3.32Å; L232-G234 PolarHBondContact O-N 2.81Å; L232-M235 PolarHBondContact O-N 3.47Å; L232-D236 WeakPolarHBondContact O-CB 3.4Å; L232-D236 PolarHBondContact O-N 3.11Å
233	D	84.7	Confident	78.6	Confident	102 Å²	102	105.6 Å²	105.6	55%	0.545	53%	0.529	S	S	.	.	H	α-helix	trans	-61.6	-40.9	175.7	-75.9	-23.2	0	0	0	111.8	F229 D236 S237	F229-D233 WeakPolarHBondContact O-CB 3.45Å; F229-D233 PolarHBondContact O-N 3.32Å; D233-D236 PolarHBondContact O-N 3.17Å; D233-S237 VanDerWaalsContact O-CB 3.25Å; D233-S237 WeakPolarHBondContact O-CB 3.34Å; D233-S237 PolarHBondContact O-N 3.22Å
234	G	82.2	Confident	79.3	Confident	38 Å²	38	106.3 Å²	106.3	39%	0.392	53%	0.53	S	S	.	.	H	α-helix	trans	-61.4	-44.3	175.1	0	0	0	0	0	112.2	R230 C231 L232 S237 L238	R230-G234 PolarHBondContact O-N 2.97Å; C231-G234 PolarHBondContact O-N 2.89Å; L232-G234 VanDerWaalsContact C-N 3.32Å; L232-G234 PolarHBondContact O-N 2.81Å; G234-S237 PolarHBondContact O-N 3.14Å; G234-L238 WeakPolarHBondContact O-CB 3.49Å; G234-L238 PolarHBondContact O-N 2.94Å
235	M	81.8	Confident	79.7	Confident	136 Å²	136	108 Å²	108	67%	0.67	54%	0.535	S	S	*	.	H	α-helix	trans	-66.9	-42.1	176.7	-74.4	-178.9	63	0	0	112.1	C231 L232 S237 L238 R239	C231-M235 WeakPolarHBondContact O-CB 3.3Å; C231-M235 VanDerWaalsContact O-CG 3.31Å; C231-M235 WeakPolarHBondContact O-CG 3.39Å; C231-M235 PolarHBondContact O-N 2.8Å; L232-M235 PolarHBondContact O-N 3.47Å; M235-S237 VanDerWaalsContact C-N 3.35Å; M235-L238 PolarHBondContact O-N 2.88Å; M235-R239 WeakPolarHBondContact O-CB 3.36Å; M235-R239 PolarHBondContact O-N 3.16Å
236	D	85.5	Confident	79.3	Confident	79 Å²	79	110.7 Å²	110.7	42%	0.422	54%	0.544	S	S	.	.	H	α-helix	trans	-69.1	-33	177.6	-101.2	-3.6	0	0	0	112.5	L232 D233 R240	L232-D236 WeakPolarHBondContact O-CB 3.4Å; L232-D236 PolarHBondContact O-N 3.11Å; D233-D236 PolarHBondContact O-N 3.17Å; D236-R240 WeakPolarHBondContact O-CB 3.45Å; D236-R240 WeakPolarHBondContact O-CG 3.17Å; D236-R240 PolarHBondContact O-N 3.26Å; D236-R240 PolarHBondContact O-NE 3.47Å
237	S	85.5	Confident	79	Confident	70 Å²	70	112 Å²	112	49%	0.49	54%	0.54	S	S	.	.	H	α-helix	trans	-63.3	-46.7	171.2	179.7	0	0	0	0	111	D233 G234 M235 R240 R241	D233-S237 VanDerWaalsContact O-CB 3.25Å; D233-S237 WeakPolarHBondContact O-CB 3.34Å; D233-S237 PolarHBondContact O-N 3.22Å; G234-S237 PolarHBondContact O-N 3.14Å; M235-S237 VanDerWaalsContact C-N 3.35Å; S237-R240 PolarHBondContact O-N 2.78Å; S237-R241 PolarHBondContact O-N 2.78Å
238	L	78.3	Confident	78.4	Confident	102 Å²	102	109.9 Å²	109.9	53%	0.534	54%	0.535	S	S	.	.	H	α-helix	trans	-64.5	-42.7	179.1	-132.1	155.9	0	0	0	111.5	G234 M235 R241 L242	G234-L238 WeakPolarHBondContact O-CB 3.49Å; G234-L238 PolarHBondContact O-N 2.94Å; M235-L238 PolarHBondContact O-N 2.88Å; L238-R241 PolarHBondContact O-N 2.78Å; L238-L242 HydrophobicContact CD2-CD1 3.89Å; L238-L242 HydrophobicContact CD2-CG 4.46Å; L238-L242 PolarHBondContact O-N 3.45Å
239	R	83	Confident	77.5	Confident	166 Å²	166	111.2 Å²	111.2	63%	0.626	54%	0.541	S	S	*	.	H	α-helix	trans	-60.5	-47.1	175.1	-174.7	-179.7	178	-170.7	2	111.7	M235 R241 L242 D243	M235-R239 WeakPolarHBondContact O-CB 3.36Å; M235-R239 PolarHBondContact O-N 3.16Å; R239-R241 VanDerWaalsContact C-N 3.32Å; R239-R241 PolarHBondContact O-N 3.46Å; R239-L242 PolarHBondContact O-N 2.99Å; R239-D243 PolarHBondContact O-N 3.42Å
240	R	83.3	Confident	76.5	Confident	156 Å²	156	112.2 Å²	112.2	59%	0.589	55%	0.548	S	S	*	.	H	α-helix	trans	-62.2	-38.5	176.8	-79.8	-176.6	-85.9	166.7	-11.7	112.4	D236 S237 D243 N244	D236-R240 WeakPolarHBondContact O-CB 3.45Å; D236-R240 WeakPolarHBondContact O-CG 3.17Å; D236-R240 PolarHBondContact O-N 3.26Å; D236-R240 PolarHBondContact O-NE 3.47Å; S237-R240 PolarHBondContact O-N 2.78Å; R240-D243 PolarHBondContact O-N 2.87Å; R240-N244 WeakPolarHBondContact O-CB 3.24Å; R240-N244 VanDerWaalsContact O-CG 3.28Å; R240-N244 PolarHBondContact O-N 2.77Å
241	R	82.8	Confident	75.6	Confident	170 Å²	170	108.7 Å²	108.7	64%	0.642	55%	0.547	S	S	*	.	H	α-helix	trans	-65.6	-43.6	177.9	-154.4	173.1	88.7	-174.6	6.4	111.6	S237 L238 R239 N244 E245	S237-R241 PolarHBondContact O-N 2.78Å; L238-R241 PolarHBondContact O-N 2.78Å; R239-R241 VanDerWaalsContact C-N 3.32Å; R239-R241 PolarHBondContact O-N 3.46Å; R241-N244 PolarHBondContact O-N 2.72Å; R241-E245 PolarHBondContact O-N 2.66Å
242	L	79.4	Confident	74.3	Confident	102 Å²	102	108.5 Å²	108.5	53%	0.534	54%	0.541	S	S	.	.	H	α-helix	trans	-64.4	-42.2	175.7	-81.6	164.3	0	0	0	112.6	L238 R239 N244 E245 K246	L238-L242 HydrophobicContact CD2-CD1 3.89Å; L238-L242 HydrophobicContact CD2-CG 4.46Å; L238-L242 PolarHBondContact O-N 3.45Å; R239-L242 PolarHBondContact O-N 2.99Å; L242-N244 VanDerWaalsContact C-N 3.34Å; L242-N244 PolarHBondContact O-N 2.83Å; L242-E245 PolarHBondContact O-N 2.81Å; L242-K246 WeakPolarHBondContact O-CB 3.49Å; L242-K246 PolarHBondContact O-N 3.35Å
243	D	80.7	Confident	72.7	Confident	78 Å²	78	110.7 Å²	110.7	42%	0.417	55%	0.553	S	S	.	*	H	α-helix	trans	-66.1	-36.6	177.4	-88.4	-19.6	0	0	0	112.2	R239 R240 K247	R239-D243 PolarHBondContact O-N 3.42Å; R240-D243 PolarHBondContact O-N 2.87Å; D243-K247 WeakPolarHBondContact O-CG 3.21Å; D243-K247 PolarHBondContact O-N 2.88Å; D243-K247 VanDerWaalsContact O-N 3.08Å
244	N	77.7	Confident	71.4	Confident	111 Å²	111	108.1 Å²	108.1	59%	0.594	54%	0.543	S	S	*	.	H	α-helix	trans	-68.7	-42.5	175.4	-74.2	-12.9	0	0	0	112.2	R240 R241 L242 K247 S248	R240-N244 WeakPolarHBondContact O-CB 3.24Å; R240-N244 VanDerWaalsContact O-CG 3.28Å; R240-N244 PolarHBondContact O-N 2.77Å; R241-N244 PolarHBondContact O-N 2.72Å; L242-N244 VanDerWaalsContact C-N 3.34Å; L242-N244 PolarHBondContact O-N 2.83Å; N244-K247 PolarHBondContact O-N 3.17Å; N244-S248 WeakPolarHBondContact O-CB 3.43Å; N244-S248 PolarHBondContact O-N 3.07Å
245	E	69	Low	70.2	Confident	105 Å²	105	110.3 Å²	110.3	49%	0.491	55%	0.546	S	S	.	.	H	α-helix	trans	-63.3	-42.4	174.3	-81.9	-180	171.4	0	0	111.4	R241 L242 K247 S248 I249	R241-E245 PolarHBondContact O-N 2.66Å; L242-E245 PolarHBondContact O-N 2.81Å; E245-K247 PolarHBondContact O-N 3.15Å; E245-S248 WeakPolarHBondContact O-CB 3.2Å; E245-S248 PolarHBondContact O-N 3.06Å; E245-I249 VanDerWaalsContact O-CG1 3.29Å; E245-I249 WeakPolarHBondContact O-CG1 3.44Å; E245-I249 PolarHBondContact O-N 3.11Å
246	K	68.6	Low	69	Low	124 Å²	124	110.4 Å²	110.4	54%	0.539	55%	0.549	S	S	.	.	H	α-helix	trans	-60.1	-45.4	177	-173.2	178.5	175.9	-178.6	0	112.2	L242 S248 I249 E250	L242-K246 WeakPolarHBondContact O-CB 3.49Å; L242-K246 PolarHBondContact O-N 3.35Å; K246-S248 VanDerWaalsContact C-N 3.33Å; K246-S248 PolarHBondContact O-N 3.34Å; K246-I249 PolarHBondContact O-N 3.25Å; K246-E250 PolarHBondContact O-N 2.9Å
247	K	67.2	Low	67.9	Low	141 Å²	141	112.5 Å²	112.5	61%	0.613	56%	0.56	S	S	*	*	H	α-helix	trans	-64.8	-36.7	175.5	-73.4	178.1	-178.6	178.3	0	112.5	D243 N244 E245 I249 E250 T251	D243-K247 WeakPolarHBondContact O-CG 3.21Å; D243-K247 PolarHBondContact O-N 2.88Å; D243-K247 VanDerWaalsContact O-N 3.08Å; N244-K247 PolarHBondContact O-N 3.17Å; E245-K247 PolarHBondContact O-N 3.15Å; K247-I249 VanDerWaalsContact C-N 3.27Å; K247-I249 PolarHBondContact O-N 2.95Å; K247-E250 PolarHBondContact O-N 2.63Å; K247-T251 PolarHBondContact O-N 3.46Å; K247-T251 PolarHBondContact O-OG1 2.98Å
248	S	59.8	Low	67.2	Low	59 Å²	59	117.2 Å²	117.2	41%	0.413	57%	0.567	S	S	.	*	H	α-helix	trans	-62.3	-34.7	174.4	179	0	0	0	0	112.1	N244 E245 K246 T251 N252	N244-S248 WeakPolarHBondContact O-CB 3.43Å; N244-S248 PolarHBondContact O-N 3.07Å; E245-S248 WeakPolarHBondContact O-CB 3.2Å; E245-S248 PolarHBondContact O-N 3.06Å; K246-S248 VanDerWaalsContact C-N 3.33Å; K246-S248 PolarHBondContact O-N 3.34Å; S248-T251 PolarHBondContact O-OG1 3.26Å; S248-N252 VanDerWaalsContact O-CB 3.23Å; S248-N252 WeakPolarHBondContact O-CB 3.12Å; S248-N252 PolarHBondContact O-N 2.89Å
249	I	57.4	Low	66.9	Low	109 Å²	109	117.3 Å²	117.3	56%	0.559	57%	0.567	S	S	*	*	H	α-helix	trans	-71.4	-44.9	179.7	-66.6	161.4	0	0	0	110.7	E245 K246 K247 T251 N252	E245-I249 VanDerWaalsContact O-CG1 3.29Å; E245-I249 WeakPolarHBondContact O-CG1 3.44Å; E245-I249 PolarHBondContact O-N 3.11Å; K246-I249 PolarHBondContact O-N 3.25Å; K247-I249 VanDerWaalsContact C-N 3.27Å; K247-I249 PolarHBondContact O-N 2.95Å; I249-T251 PolarHBondContact O-N 2.88Å; I249-N252 CarbonylContact O-C 3.46Å; I249-N252 PolarHBondContact O-N 3.3Å; I249-N252 VanDerWaalsContact O-N 3.09Å
250	E	57.4	Low	66.6	Low	143 Å²	143	116.2 Å²	116.2	67%	0.668	57%	0.569	S	S	*	*	H	α-helix	trans	-63	-27.2	179.9	-71.8	175.8	-173.9	0	0	113.6	K246 K247	K246-E250 PolarHBondContact O-N 2.9Å; K247-E250 PolarHBondContact O-N 2.63Å
251	T	59.6	Low	66.5	Low	115 Å²	115	111.7 Å²	111.7	71%	0.706	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-10.5	176.7	56	0	0	0	0	114.4	K247 S248 I249	K247-T251 PolarHBondContact O-N 3.46Å; K247-T251 PolarHBondContact O-OG1 2.98Å; S248-T251 PolarHBondContact O-OG1 3.26Å; I249-T251 PolarHBondContact O-N 2.88Å
252	N	51.2	Low	66.6	Low	78 Å²	78	108 Å²	108	42%	0.417	55%	0.554	S	S	.	*			trans	-137.5	70.6	-164.1	-133.2	-6.2	0	0	0	110.5	S248 I249 S254	S248-N252 VanDerWaalsContact O-CB 3.23Å; S248-N252 WeakPolarHBondContact O-CB 3.12Å; S248-N252 PolarHBondContact O-N 2.89Å; I249-N252 CarbonylContact O-C 3.46Å; I249-N252 PolarHBondContact O-N 3.3Å; I249-N252 VanDerWaalsContact O-N 3.09Å; N252-S254 PolarHBondContact O-N 3.02Å; N252-S254 PolarHBondContact OD1-OG 3.01Å
253	D	52.7	Low	66.7	Low	140 Å²	140	108.3 Å²	108.3	75%	0.749	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53	0.2	167.9	-85.8	-21.3	0	0	0	114.2
254	S	56.4	Low	66.8	Low	49 Å²	49	111.9 Å²	111.9	34%	0.343	56%	0.564	S	S	.	*	H	α-helix	trans	-81	-18.6	-174.8	61.5	0	0	0	0	114.8	N252 R258	N252-S254 PolarHBondContact O-N 3.02Å; N252-S254 PolarHBondContact OD1-OG 3.01Å; S254-R258 VanDerWaalsContact O-CB 3.29Å; S254-R258 WeakPolarHBondContact O-CB 3.31Å; S254-R258 WeakPolarHBondContact O-CG 3.42Å; S254-R258 PolarHBondContact O-N 2.94Å; S254-R258 VanDerWaalsContact O-N 3.14Å
255	N	56.9	Low	67.1	Low	84 Å²	84	110.4 Å²	110.4	45%	0.449	56%	0.556	S	S	.	*	H	α-helix	trans	-80.5	-41.3	-174.1	-75	-23.3	0	0	0	113.6	R258 L259	N255-R258 WeakPolarHBondContact O-CB 3.49Å; N255-R258 PolarHBondContact O-N 3.45Å; N255-L259 PolarHBondContact O-N 3.16Å; N255-L259 VanDerWaalsContact O-N 3.15Å
256	D	55.8	Low	67.9	Low	138 Å²	138	109.6 Å²	109.6	74%	0.738	56%	0.558	S	S	*	*	H	α-helix	trans	-68.5	-42.3	177.2	-79.1	-12.2	0	0	0	111.2	R258 L259 E260	D256-R258 VanDerWaalsContact C-N 3.26Å; D256-R258 PolarHBondContact O-N 3.05Å; D256-L259 PolarHBondContact O-N 2.81Å; D256-E260 PolarHBondContact O-N 3.48Å; D256-E260 VanDerWaalsContact O-N 3.11Å
257	L	63.4	Low	68.6	Low	123 Å²	123	111.9 Å²	111.9	64%	0.644	56%	0.563	S	S	*	*	H	α-helix	trans	-61.5	-33.8	173.8	-71	170.7	0	0	0	112.4	S261	L257-S261 VanDerWaalsContact O-CB 3.24Å; L257-S261 WeakPolarHBondContact O-CB 3.24Å; L257-S261 PolarHBondContact O-N 2.86Å
258	R	70.3	Confident	69.5	Low	168 Å²	168	106.8 Å²	106.8	63%	0.634	54%	0.544	S	S	*	.	H	α-helix	trans	-65.2	-44.9	174.4	-100.3	-180	151.2	176.6	-4.7	112	S254 N255 D256 S261 I262	S254-R258 VanDerWaalsContact O-CB 3.29Å; S254-R258 WeakPolarHBondContact O-CB 3.31Å; S254-R258 WeakPolarHBondContact O-CG 3.42Å; S254-R258 PolarHBondContact O-N 2.94Å; S254-R258 VanDerWaalsContact O-N 3.14Å; N255-R258 WeakPolarHBondContact O-CB 3.49Å; N255-R258 PolarHBondContact O-N 3.45Å; D256-R258 VanDerWaalsContact C-N 3.26Å; D256-R258 PolarHBondContact O-N 3.05Å; R258-S261 PolarHBondContact O-N 2.92Å; R258-I262 WeakPolarHBondContact O-CB 3.31Å; R258-I262 WeakPolarHBondContact O-CD1 3.24Å; R258-I262 WeakPolarHBondContact O-CG1 3.48Å; R258-I262 PolarHBondContact O-N 2.65Å
259	L	71.8	Confident	70.7	Confident	104 Å²	104	108.7 Å²	108.7	55%	0.545	55%	0.549	S	S	.	.	H	α-helix	trans	-65.3	-44.1	-178.5	-175	65	0	0	0	110.9	N255 D256 I262 L263	N255-L259 PolarHBondContact O-N 3.16Å; N255-L259 VanDerWaalsContact O-N 3.15Å; D256-L259 PolarHBondContact O-N 2.81Å; L259-I262 PolarHBondContact O-N 3.46Å; L259-L263 HydrophobicContact CG-CD1 4.22Å; L259-L263 WeakPolarHBondContact O-CB 3.32Å; L259-L263 WeakPolarHBondContact O-CG 3.35Å; L259-L263 PolarHBondContact O-N 2.84Å
260	E	78.1	Confident	71.9	Confident	144 Å²	144	104.7 Å²	104.7	67%	0.673	54%	0.535	S	S	*	.	H	α-helix	trans	-67.4	-38.1	179	-166.9	148.7	-160.8	0	0	112.2	D256 L263 Y264	D256-E260 PolarHBondContact O-N 3.48Å; D256-E260 VanDerWaalsContact O-N 3.11Å; E260-L263 PolarHBondContact O-N 3.4Å; E260-Y264 WeakPolarHBondContact O-CB 3.27Å; E260-Y264 PolarHBondContact O-N 3.34Å
261	S	80.6	Confident	73.1	Confident	61 Å²	61	103.4 Å²	103.4	43%	0.427	53%	0.529	S	S	.	.	H	α-helix	trans	-59.1	-48.1	169.8	-175	0	0	0	0	111.5	L257 R258 L263 Y264 D265	L257-S261 VanDerWaalsContact O-CB 3.24Å; L257-S261 WeakPolarHBondContact O-CB 3.24Å; L257-S261 PolarHBondContact O-N 2.86Å; R258-S261 PolarHBondContact O-N 2.92Å; S261-L263 VanDerWaalsContact C-N 3.32Å; S261-L263 PolarHBondContact O-N 2.79Å; S261-Y264 PolarHBondContact O-N 3.48Å; S261-D265 VanDerWaalsContact O-CB 3.32Å; S261-D265 WeakPolarHBondContact O-CB 3.05Å; S261-D265 PolarHBondContact O-N 2.86Å
262	I	84.4	Confident	74.1	Confident	93 Å²	93	105.4 Å²	105.4	48%	0.477	52%	0.524	S	S	.	.	H	α-helix	trans	-63.7	-39.3	179.7	-68.7	162.6	0	0	0	110.7	R258 L259 D265 T266	R258-I262 WeakPolarHBondContact O-CB 3.31Å; R258-I262 WeakPolarHBondContact O-CD1 3.24Å; R258-I262 WeakPolarHBondContact O-CG1 3.48Å; R258-I262 PolarHBondContact O-N 2.65Å; L259-I262 PolarHBondContact O-N 3.46Å; I262-D265 PolarHBondContact O-N 3.28Å; I262-T266 VanDerWaalsContact O-CB 3.24Å; I262-T266 WeakPolarHBondContact O-CB 3.38Å; I262-T266 PolarHBondContact O-N 2.69Å; I262-T266 PolarHBondContact O-OG1 3.49Å
263	L	81.9	Confident	75.6	Confident	108 Å²	108	107 Å²	107	57%	0.565	53%	0.532	S	S	*	.	H	α-helix	trans	-66.2	-42.2	176.7	-74.5	171.7	0	0	0	111.7	L259 E260 S261 T266 R267	L259-L263 HydrophobicContact CG-CD1 4.22Å; L259-L263 WeakPolarHBondContact O-CB 3.32Å; L259-L263 WeakPolarHBondContact O-CG 3.35Å; L259-L263 PolarHBondContact O-N 2.84Å; E260-L263 PolarHBondContact O-N 3.4Å; S261-L263 VanDerWaalsContact C-N 3.32Å; S261-L263 PolarHBondContact O-N 2.79Å; L263-T266 PolarHBondContact O-N 2.77Å; L263-R267 VanDerWaalsContact O-CB 3.31Å; L263-R267 WeakPolarHBondContact O-CB 3.36Å; L263-R267 PolarHBondContact O-N 2.85Å
264	Y	83.4	Confident	77	Confident	153 Å²	153	106 Å²	106	60%	0.6	52%	0.521	S	S	*	.	H	α-helix	trans	-64.4	-43.9	175.1	-178	-96.3	0	0	0	111.9	E260 S261 R267 T268	E260-Y264 WeakPolarHBondContact O-CB 3.27Å; E260-Y264 PolarHBondContact O-N 3.34Å; S261-Y264 PolarHBondContact O-N 3.48Å; Y264-R267 PolarHBondContact O-N 2.85Å; Y264-T268 HydrophobicContact CD1-CG2 4.48Å; Y264-T268 HydrophobicContact CE1-CG2 3.97Å; Y264-T268 HydrophobicContact CE2-CG2 4.45Å; Y264-T268 PolarHBondContact O-N 2.81Å; Y264-T268 PolarHBondContact O-OG1 2.75Å
265	D	84.1	Confident	78.3	Confident	79 Å²	79	107.8 Å²	107.8	42%	0.422	52%	0.524	S	S	.	.	H	α-helix	trans	-62.6	-43.6	175.2	-71.7	-26.7	0	0	0	110.6	S261 I262 R267 T268 L269	S261-D265 VanDerWaalsContact O-CB 3.32Å; S261-D265 WeakPolarHBondContact O-CB 3.05Å; S261-D265 PolarHBondContact O-N 2.86Å; I262-D265 PolarHBondContact O-N 3.28Å; D265-R267 PolarHBondContact O-N 3.4Å; D265-T268 WeakPolarHBondContact CA-OG1 3.47Å; D265-T268 PolarHBondContact O-N 3.11Å; D265-T268 PolarHBondContact O-OG1 3.47Å; D265-T268 VanDerWaalsContact O-OG1 3.06Å; D265-L269 WeakPolarHBondContact O-CB 3.08Å; D265-L269 PolarHBondContact O-N 3.36Å
266	T	84.8	Confident	79.4	Confident	89 Å²	89	107.9 Å²	107.9	55%	0.546	52%	0.524	S	S	.	.	H	α-helix	trans	-65.1	-41.5	177.5	-56.2	0	0	0	0	111.2	I262 L263 L269 G270	I262-T266 VanDerWaalsContact O-CB 3.24Å; I262-T266 WeakPolarHBondContact O-CB 3.38Å; I262-T266 PolarHBondContact O-N 2.69Å; I262-T266 PolarHBondContact O-OG1 3.49Å; L263-T266 PolarHBondContact O-N 2.77Å; T266-L269 PolarHBondContact O-N 3.3Å; T266-G270 PolarHBondContact O-N 3.27Å
267	R	84.3	Confident	80.7	Confident	171 Å²	171	103.9 Å²	103.9	65%	0.645	50%	0.502	S	S	*	.	H	α-helix	trans	-63.6	-46.8	175.8	179.5	-177.6	172.5	99.6	3.7	111.6	L263 Y264 D265 G270 H271	L263-R267 VanDerWaalsContact O-CB 3.31Å; L263-R267 WeakPolarHBondContact O-CB 3.36Å; L263-R267 PolarHBondContact O-N 2.85Å; Y264-R267 PolarHBondContact O-N 2.85Å; D265-R267 PolarHBondContact O-N 3.4Å; R267-G270 PolarHBondContact O-N 3.38Å; R267-H271 PolarHBondContact O-CD2 3.06Å; R267-H271 PolarHBondContact O-N 2.79Å
268	T	84.8	Confident	81.6	Confident	35 Å²	35	102 Å²	102	22%	0.215	49%	0.493	C	S	.	.	H	α-helix	trans	-67.8	-36.6	178.1	40.5	0	0	0	0	111.9	Y264 D265 H271 R272	Y264-T268 HydrophobicContact CD1-CG2 4.48Å; Y264-T268 HydrophobicContact CE1-CG2 3.97Å; Y264-T268 HydrophobicContact CE2-CG2 4.45Å; Y264-T268 PolarHBondContact O-N 2.81Å; Y264-T268 PolarHBondContact O-OG1 2.75Å; D265-T268 WeakPolarHBondContact CA-OG1 3.47Å; D265-T268 PolarHBondContact O-N 3.11Å; D265-T268 PolarHBondContact O-OG1 3.47Å; D265-T268 VanDerWaalsContact O-OG1 3.06Å; T268-H271 PolarHBondContact O-N 3.39Å; T268-R272 WeakPolarHBondContact O-CB 3.5Å; T268-R272 WeakPolarHBondContact O-CG 3.43Å; T268-R272 PolarHBondContact O-N 3.24Å
269	L	85.6	Confident	82.3	Confident	98 Å²	98	99.6 Å²	99.6	51%	0.513	49%	0.487	S	S	.	.	H	α-helix	trans	-67.4	-39	175.2	-157.2	154.9	0	0	0	110.9	D265 T266 R272 L273	D265-L269 WeakPolarHBondContact O-CB 3.08Å; D265-L269 PolarHBondContact O-N 3.36Å; T266-L269 PolarHBondContact O-N 3.3Å; L269-R272 PolarHBondContact O-N 3.42Å; L269-L273 HydrophobicContact CD2-CD1 3.88Å; L269-L273 WeakPolarHBondContact O-CB 3.5Å; L269-L273 PolarHBondContact O-N 2.96Å
270	G	82.5	Confident	82.8	Confident	26 Å²	26	102.5 Å²	102.5	27%	0.268	49%	0.49	S	S	.	.	H	α-helix	trans	-60.8	-48.3	171.2	0	0	0	0	0	112.8	T266 R267 R272 L273 F274	T266-G270 PolarHBondContact O-N 3.27Å; R267-G270 PolarHBondContact O-N 3.38Å; G270-R272 PolarHBondContact O-N 2.89Å; G270-L273 PolarHBondContact O-N 3.37Å; G270-F274 WeakPolarHBondContact O-CD2 3.5Å; G270-F274 PolarHBondContact O-N 2.91Å; G270-F274 VanDerWaalsContact O-N 3.11Å
271	H	82.6	Confident	83.1	Confident	115 Å²	115	102.5 Å²	102.5	53%	0.532	48%	0.484	S	S	.	.	H	α-helix	trans	-59.9	-44.3	174.5	-82.3	-60	0	0	0	112	R267 T268 L273 F274 E275	R267-H271 PolarHBondContact O-CD2 3.06Å; R267-H271 PolarHBondContact O-N 2.79Å; T268-H271 PolarHBondContact O-N 3.39Å; H271-L273 VanDerWaalsContact C-N 3.34Å; H271-L273 PolarHBondContact O-N 2.84Å; H271-F274 PolarHBondContact O-N 3.39Å; H271-E275 WeakPolarHBondContact O-CB 3.35Å; H271-E275 PolarHBondContact O-N 3.34Å
272	R	81.3	Confident	83.4	Confident	157 Å²	157	103.4 Å²	103.4	59%	0.592	48%	0.484	S	S	*	.	H	α-helix	trans	-59.6	-42.7	175	-78.8	-174.5	-126.1	159.4	3.3	112.4	T268 L269 G270 F274 E275	T268-R272 WeakPolarHBondContact O-CB 3.5Å; T268-R272 WeakPolarHBondContact O-CG 3.43Å; T268-R272 PolarHBondContact O-N 3.24Å; L269-R272 PolarHBondContact O-N 3.42Å; G270-R272 PolarHBondContact O-N 2.89Å; R272-F274 VanDerWaalsContact C-N 3.35Å; R272-F274 PolarHBondContact O-N 3.48Å; R272-E275 PolarHBondContact O-N 3.44Å
273	L	82.4	Confident	83.3	Confident	112 Å²	112	107.5 Å²	107.5	59%	0.586	49%	0.494	S	S	*	.	H	α-helix	trans	-61.1	-41.7	179.3	-112	160.4	0	0	0	112.3	L269 G270 H271	L269-L273 HydrophobicContact CD2-CD1 3.88Å; L269-L273 WeakPolarHBondContact O-CB 3.5Å; L269-L273 PolarHBondContact O-N 2.96Å; G270-L273 PolarHBondContact O-N 3.37Å; H271-L273 VanDerWaalsContact C-N 3.34Å; H271-L273 PolarHBondContact O-N 2.84Å
274	F	81.9	Confident	83.5	Confident	118 Å²	118	103.6 Å²	103.6	52%	0.518	48%	0.48	S	S	.	.	H	α-helix	trans	-85.9	-25.3	-179.7	-77.2	-74.3	0	0	0	114	G270 H271 R272 D276 I277 L278	G270-F274 WeakPolarHBondContact O-CD2 3.5Å; G270-F274 PolarHBondContact O-N 2.91Å; G270-F274 VanDerWaalsContact O-N 3.11Å; H271-F274 PolarHBondContact O-N 3.39Å; R272-F274 VanDerWaalsContact C-N 3.35Å; R272-F274 PolarHBondContact O-N 3.48Å; F274-D276 VanDerWaalsContact C-N 3.29Å; F274-D276 PolarHBondContact O-N 2.82Å; F274-I277 HydrophobicContact CD1-CD1 4.35Å; F274-I277 PolarHBondContact O-N 3.05Å; F274-L278 WeakPolarHBondContact O-CB 3.5Å; F274-L278 WeakPolarHBondContact O-CG 3.12Å; F274-L278 PolarHBondContact O-N 2.92Å
275	E	82.6	Confident	83.5	Confident	87 Å²	87	99.8 Å²	99.8	41%	0.407	47%	0.47	S	S	.	.	H	α-helix	trans	-55.4	-45.9	179.6	-177.8	177.8	-177.4	0	0	111.2	H271 R272 I277 L278 K279	H271-E275 WeakPolarHBondContact O-CB 3.35Å; H271-E275 PolarHBondContact O-N 3.34Å; R272-E275 PolarHBondContact O-N 3.44Å; E275-I277 VanDerWaalsContact C-N 3.3Å; E275-I277 PolarHBondContact O-N 3.44Å; E275-L278 PolarHBondContact O-N 3.37Å; E275-K279 HydrophobicContact CG-CD 4.18Å; E275-K279 WeakPolarHBondContact O-CB 3.43Å; E275-K279 WeakPolarHBondContact O-CG 3.42Å; E275-K279 PolarHBondContact O-N 3.09Å; E275-K279 VanDerWaalsContact OE1-CE 3.23Å; E275-K279 WeakPolarHBondContact OE1-CE 3.27Å; E275-K279 IonicContact OE1-NZ 2.69Å; E275-K279 PolarHBondContact OE1-NZ 3.27Å
276	D	80.1	Confident	83.6	Confident	87 Å²	87	99.2 Å²	99.2	47%	0.465	47%	0.472	S	S	.	.	H	α-helix	trans	-64.8	-34.5	177.9	-75.8	-13.1	0	0	0	112.7	F274 R280	F274-D276 VanDerWaalsContact C-N 3.29Å; F274-D276 PolarHBondContact O-N 2.82Å; D276-R280 WeakPolarHBondContact O-CB 3.33Å; D276-R280 VanDerWaalsContact O-CG 3.27Å; D276-R280 WeakPolarHBondContact O-CG 3.22Å; D276-R280 PolarHBondContact O-N 2.84Å; D276-R280 PolarHBondContact O-NE 3.33Å
277	I	83.9	Confident	83.7	Confident	54 Å²	54	98.9 Å²	98.9	28%	0.277	47%	0.466	S	S	.	.	H	α-helix	trans	-73.6	-42.5	179.3	-61.2	174.1	0	0	0	110.4	F274 E275 R280 R281	F274-I277 HydrophobicContact CD1-CD1 4.35Å; F274-I277 PolarHBondContact O-N 3.05Å; E275-I277 VanDerWaalsContact C-N 3.3Å; E275-I277 PolarHBondContact O-N 3.44Å; I277-R280 WeakPolarHBondContact O-CB 3.27Å; I277-R280 PolarHBondContact O-N 3.29Å; I277-R281 PolarHBondContact O-N 2.89Å
278	L	81.9	Confident	83.6	Confident	84 Å²	84	97.2 Å²	97.2	44%	0.44	46%	0.464	S	S	.	.	H	α-helix	trans	-65	-45.7	177.3	-69.4	172.5	0	0	0	110.7	F274 E275 R280 R281 D282	F274-L278 WeakPolarHBondContact O-CB 3.5Å; F274-L278 WeakPolarHBondContact O-CG 3.12Å; F274-L278 PolarHBondContact O-N 2.92Å; E275-L278 PolarHBondContact O-N 3.37Å; L278-R280 VanDerWaalsContact C-N 3.28Å; L278-R280 PolarHBondContact O-N 2.79Å; L278-R281 PolarHBondContact O-N 2.9Å; L278-R281 VanDerWaalsContact O-N 3.09Å; L278-D282 VanDerWaalsContact O-CG 3.26Å; L278-D282 PolarHBondContact O-N 3.46Å
279	K	85.3	Confident	83.6	Confident	116 Å²	116	100.7 Å²	100.7	50%	0.504	48%	0.481	S	S	.	.	H	α-helix	trans	-58.3	-39.7	172.8	-74.8	177	-175.8	168.5	0	112.1	E275 R283	E275-K279 HydrophobicContact CG-CD 4.18Å; E275-K279 WeakPolarHBondContact O-CB 3.43Å; E275-K279 WeakPolarHBondContact O-CG 3.42Å; E275-K279 PolarHBondContact O-N 3.09Å; E275-K279 VanDerWaalsContact OE1-CE 3.23Å; E275-K279 WeakPolarHBondContact OE1-CE 3.27Å; E275-K279 IonicContact OE1-NZ 2.69Å; E275-K279 PolarHBondContact OE1-NZ 3.27Å; K279-R283 WeakPolarHBondContact O-CB 3.39Å; K279-R283 PolarHBondContact O-N 2.94Å
280	R	81.6	Confident	83.5	Confident	166 Å²	166	98.4 Å²	98.4	63%	0.626	48%	0.476	S	S	*	.	H	α-helix	trans	-65.2	-40.2	174.9	-79.9	-178.9	-125.4	144.7	-0.5	112.4	D276 I277 L278 G284	D276-R280 WeakPolarHBondContact O-CB 3.33Å; D276-R280 VanDerWaalsContact O-CG 3.27Å; D276-R280 WeakPolarHBondContact O-CG 3.22Å; D276-R280 PolarHBondContact O-N 2.84Å; D276-R280 PolarHBondContact O-NE 3.33Å; I277-R280 WeakPolarHBondContact O-CB 3.27Å; I277-R280 PolarHBondContact O-N 3.29Å; L278-R280 VanDerWaalsContact C-N 3.28Å; L278-R280 PolarHBondContact O-N 2.79Å; R280-G284 PolarHBondContact O-N 3.43Å
281	R	84.9	Confident	83.6	Confident	143 Å²	143	101 Å²	101	54%	0.54	48%	0.483	S	S	.	.	H	α-helix	trans	-66.3	-49.8	176.1	-174.4	-165.1	67.3	171.9	0.6	111.2	I277 L278 R283 G284 D285	I277-R281 PolarHBondContact O-N 2.89Å; L278-R281 PolarHBondContact O-N 2.9Å; L278-R281 VanDerWaalsContact O-N 3.09Å; R281-R283 VanDerWaalsContact C-N 3.27Å; R281-R283 PolarHBondContact O-N 3.33Å; R281-G284 CarbonylContact O-C 3.42Å; R281-G284 VanDerWaalsContact O-CA 3.27Å; R281-G284 WeakPolarHBondContact O-CA 3.23Å; R281-G284 PolarHBondContact O-N 3.07Å; R281-D285 PolarHBondContact O-N 3.39Å
282	D	86.2	Confident	83.6	Confident	81 Å²	81	98.7 Å²	98.7	43%	0.433	48%	0.48	S	S	.	.	H	α-helix	trans	-64.3	-36.7	-179.1	-61.7	-14.5	0	0	0	110.5	L278 D285 S286	L278-D282 VanDerWaalsContact O-CG 3.26Å; L278-D282 PolarHBondContact O-N 3.46Å; D282-D285 PolarHBondContact O-N 2.84Å; D282-S286 WeakPolarHBondContact O-CB 3.19Å; D282-S286 PolarHBondContact O-N 2.89Å; D282-S286 PolarHBondContact O-OG 2.86Å
283	R	83.4	Confident	83.6	Confident	178 Å²	178	94.1 Å²	94.1	67%	0.672	47%	0.469	S	S	*	.	H	α-helix	trans	-61.7	-43.8	168.3	-172.8	178.8	179.3	101.4	-0.7	111.1	K279 R281 D285 S286 I287	K279-R283 WeakPolarHBondContact O-CB 3.39Å; K279-R283 PolarHBondContact O-N 2.94Å; R281-R283 VanDerWaalsContact C-N 3.27Å; R281-R283 PolarHBondContact O-N 3.33Å; R283-D285 PolarHBondContact O-N 3.29Å; R283-S286 WeakPolarHBondContact CA-OG 3.48Å; R283-S286 PolarHBondContact O-N 3.46Å; R283-S286 PolarHBondContact O-OG 2.65Å; R283-I287 HydrophobicContact CG-CD1 3.99Å; R283-I287 WeakPolarHBondContact O-CB 3.37Å; R283-I287 WeakPolarHBondContact O-CD1 3.31Å; R283-I287 WeakPolarHBondContact O-CG1 3.4Å; R283-I287 PolarHBondContact O-N 2.87Å
284	G	85	Confident	83.5	Confident	27 Å²	27	93.1 Å²	93.1	28%	0.278	46%	0.464	S	S	.	.	H	α-helix	trans	-59	-43.8	175	0	0	0	0	0	113	R280 R281 I287 K288	R280-G284 PolarHBondContact O-N 3.43Å; R281-G284 CarbonylContact O-C 3.42Å; R281-G284 VanDerWaalsContact O-CA 3.27Å; R281-G284 WeakPolarHBondContact O-CA 3.23Å; R281-G284 PolarHBondContact O-N 3.07Å; G284-I287 WeakPolarHBondContact O-CB 3.5Å; G284-I287 PolarHBondContact O-N 3.36Å; G284-K288 WeakPolarHBondContact O-CG 3.46Å; G284-K288 PolarHBondContact O-N 3.49Å
285	D	85	Confident	83.5	Confident	72 Å²	72	93.6 Å²	93.6	39%	0.385	47%	0.468	S	S	.	.	H	α-helix	trans	-73.5	-35.1	178.4	-68.3	-24.9	0	0	0	111.9	R281 D282 R283 I287 K288 N289	R281-D285 PolarHBondContact O-N 3.39Å; D282-D285 PolarHBondContact O-N 2.84Å; R283-D285 PolarHBondContact O-N 3.29Å; D285-I287 VanDerWaalsContact C-N 3.3Å; D285-I287 PolarHBondContact O-N 2.83Å; D285-K288 PolarHBondContact O-N 3.38Å; D285-K288 IonicContact OD1-NZ 3.15Å; D285-K288 PolarHBondContact OD1-NZ 2.87Å; D285-N289 WeakPolarHBondContact O-CB 3.38Å; D285-N289 PolarHBondContact O-N 3.5Å
286	S	84.6	Confident	83.3	Confident	67 Å²	67	98.6 Å²	98.6	47%	0.469	48%	0.483	S	S	.	.	H	α-helix	trans	-62.7	-38.6	169.5	77.9	0	0	0	0	111.8	D282 R283 N289 A290	D282-S286 WeakPolarHBondContact O-CB 3.19Å; D282-S286 PolarHBondContact O-N 2.89Å; D282-S286 PolarHBondContact O-OG 2.86Å; R283-S286 WeakPolarHBondContact CA-OG 3.48Å; R283-S286 PolarHBondContact O-N 3.46Å; R283-S286 PolarHBondContact O-OG 2.65Å; S286-N289 PolarHBondContact O-N 2.95Å; S286-A290 VanDerWaalsContact O-CB 3.31Å; S286-A290 WeakPolarHBondContact O-CB 3.41Å; S286-A290 PolarHBondContact O-N 3.31Å
287	I	87	Confident	83.3	Confident	83 Å²	83	97.2 Å²	97.2	43%	0.426	47%	0.472	S	S	.	.	H	α-helix	trans	-66.1	-44.4	176	-73.1	164.7	0	0	0	109.1	R283 G284 D285 A290 I291	R283-I287 HydrophobicContact CG-CD1 3.99Å; R283-I287 WeakPolarHBondContact O-CB 3.37Å; R283-I287 WeakPolarHBondContact O-CD1 3.31Å; R283-I287 WeakPolarHBondContact O-CG1 3.4Å; R283-I287 PolarHBondContact O-N 2.87Å; G284-I287 WeakPolarHBondContact O-CB 3.5Å; G284-I287 PolarHBondContact O-N 3.36Å; D285-I287 VanDerWaalsContact C-N 3.3Å; D285-I287 PolarHBondContact O-N 2.83Å; I287-A290 PolarHBondContact O-N 3.4Å; I287-I291 HydrophobicContact CG2-CD1 3.72Å; I287-I291 HydrophobicContact CG2-CG1 4.39Å; I287-I291 WeakPolarHBondContact O-CB 3.34Å; I287-I291 WeakPolarHBondContact O-CG1 3.21Å; I287-I291 PolarHBondContact O-N 3.45Å
288	K	83.7	Confident	83.2	Confident	136 Å²	136	99.9 Å²	99.9	59%	0.591	48%	0.483	S	S	*	.	H	α-helix	trans	-62.3	-42.8	175.7	-72.6	173	-170.6	163.3	0	112.6	G284 D285 I291 S292	G284-K288 WeakPolarHBondContact O-CG 3.46Å; G284-K288 PolarHBondContact O-N 3.49Å; D285-K288 PolarHBondContact O-N 3.38Å; D285-K288 IonicContact OD1-NZ 3.15Å; D285-K288 PolarHBondContact OD1-NZ 2.87Å; K288-I291 PolarHBondContact O-N 2.71Å; K288-S292 PolarHBondContact O-N 3.31Å
289	N	84.3	Confident	83.1	Confident	107 Å²	107	99 Å²	99	57%	0.572	48%	0.476	S	S	*	.	H	α-helix	trans	-64	-44.7	176.8	-170.8	21.5	0	0	0	110.8	D285 S286 I291 S292 V293	D285-N289 WeakPolarHBondContact O-CB 3.38Å; D285-N289 PolarHBondContact O-N 3.5Å; S286-N289 PolarHBondContact O-N 2.95Å; N289-I291 VanDerWaalsContact C-N 3.34Å; N289-I291 PolarHBondContact O-N 3.17Å; N289-S292 WeakPolarHBondContact O-CB 3.38Å; N289-S292 PolarHBondContact O-N 3.31Å; N289-S292 VanDerWaalsContact O-N 3.17Å; N289-V293 WeakPolarHBondContact O-CG2 3.23Å; N289-V293 PolarHBondContact O-N 2.87Å
290	A	83.6	Confident	82.6	Confident	50 Å²	50	93.4 Å²	93.4	41%	0.413	45%	0.451	S	S	.	.	H	α-helix	trans	-58.6	-44.6	173.5	0	0	0	0	0	111.7	S286 I287 S292 V293 L294	S286-A290 VanDerWaalsContact O-CB 3.31Å; S286-A290 WeakPolarHBondContact O-CB 3.41Å; S286-A290 PolarHBondContact O-N 3.31Å; I287-A290 PolarHBondContact O-N 3.4Å; A290-S292 VanDerWaalsContact C-N 3.34Å; A290-S292 PolarHBondContact O-N 2.93Å; A290-V293 PolarHBondContact O-N 3.35Å; A290-L294 WeakPolarHBondContact O-CB 3.42Å; A290-L294 VanDerWaalsContact O-CG 3.23Å; A290-L294 WeakPolarHBondContact O-CG 3.5Å; A290-L294 PolarHBondContact O-N 2.89Å
291	I	83.7	Confident	82.4	Confident	80 Å²	80	88.6 Å²	88.6	41%	0.41	44%	0.435	S	S	.	.	H	α-helix	trans	-60.6	-42.7	175.4	-69.5	165.4	0	0	0	111	I287 K288 N289 L294 Q295	I287-I291 HydrophobicContact CG2-CD1 3.72Å; I287-I291 HydrophobicContact CG2-CG1 4.39Å; I287-I291 WeakPolarHBondContact O-CB 3.34Å; I287-I291 WeakPolarHBondContact O-CG1 3.21Å; I287-I291 PolarHBondContact O-N 3.45Å; K288-I291 PolarHBondContact O-N 2.71Å; N289-I291 VanDerWaalsContact C-N 3.34Å; N289-I291 PolarHBondContact O-N 3.17Å; I291-L294 PolarHBondContact O-N 2.89Å; I291-Q295 HydrophobicContact CG2-CG 4.44Å; I291-Q295 WeakPolarHBondContact O-CB 3.49Å; I291-Q295 WeakPolarHBondContact O-CG 3.47Å; I291-Q295 PolarHBondContact O-N 3.32Å
292	S	83.6	Confident	82.4	Confident	68 Å²	68	85.8 Å²	85.8	48%	0.476	43%	0.431	S	S	.	.	H	α-helix	trans	-63.6	-41.9	177.8	-177.9	0	0	0	0	112.4	K288 N289 A290 Q295 R296	K288-S292 PolarHBondContact O-N 3.31Å; N289-S292 WeakPolarHBondContact O-CB 3.38Å; N289-S292 PolarHBondContact O-N 3.31Å; N289-S292 VanDerWaalsContact O-N 3.17Å; A290-S292 VanDerWaalsContact C-N 3.34Å; A290-S292 PolarHBondContact O-N 2.93Å; S292-Q295 PolarHBondContact O-N 3.43Å; S292-R296 WeakPolarHBondContact O-CB 3.42Å; S292-R296 PolarHBondContact O-N 2.85Å
293	V	81.5	Confident	82.2	Confident	61 Å²	61	82 Å²	82	37%	0.37	41%	0.411	S	S	.	.	H	α-helix	trans	-64.9	-43.3	174.6	174.4	0	0	0	0	111	N289 A290 Q295 R296 Y297	N289-V293 WeakPolarHBondContact O-CG2 3.23Å; N289-V293 PolarHBondContact O-N 2.87Å; A290-V293 PolarHBondContact O-N 3.35Å; V293-Q295 VanDerWaalsContact C-N 3.34Å; V293-Q295 PolarHBondContact O-N 3.38Å; V293-R296 PolarHBondContact O-N 3.42Å; V293-Y297 HydrophobicContact CG1-CD2 3.85Å; V293-Y297 HydrophobicContact CG1-CE2 4.17Å; V293-Y297 WeakPolarHBondContact O-CD2 3.17Å; V293-Y297 PolarHBondContact O-N 3.34Å
294	L	79.5	Confident	82	Confident	90 Å²	90	74.2 Å²	74.2	47%	0.471	38%	0.383	S	S	.	.	H	α-helix	trans	-61.6	-40.2	176.2	-72.4	172.4	0	0	0	112	A290 I291 Y297 Q298 F301	A290-L294 WeakPolarHBondContact O-CB 3.42Å; A290-L294 VanDerWaalsContact O-CG 3.23Å; A290-L294 WeakPolarHBondContact O-CG 3.5Å; A290-L294 PolarHBondContact O-N 2.89Å; I291-L294 PolarHBondContact O-N 2.89Å; L294-Y297 CarbonylContact O-C 3.6Å; L294-Q298 WeakPolarHBondContact O-CA 3.42Å; L294-Q298 WeakPolarHBondContact O-CB 3.3Å; L294-Q298 PolarHBondContact O-N 3.38Å; L294-F301 HydrophobicContact CD2-CD2 3.86Å; L294-F301 HydrophobicContact CD2-CE1 4.47Å; L294-F301 HydrophobicContact CD2-CE2 3.75Å; L294-F301 HydrophobicContact CD2-CG 4.3Å; L294-F301 HydrophobicContact CD2-CZ 4.07Å
295	Q	82.9	Confident	81.9	Confident	129 Å²	129	79 Å²	79	60%	0.603	40%	0.398	S	S	*	.	H	α-helix	trans	-67.5	-44.3	175.6	-75	176.6	-16.1	0	0	111.9	I291 S292 V293 Y297 Q298	I291-Q295 HydrophobicContact CG2-CG 4.44Å; I291-Q295 WeakPolarHBondContact O-CB 3.49Å; I291-Q295 WeakPolarHBondContact O-CG 3.47Å; I291-Q295 PolarHBondContact O-N 3.32Å; S292-Q295 PolarHBondContact O-N 3.43Å; V293-Q295 VanDerWaalsContact C-N 3.34Å; V293-Q295 PolarHBondContact O-N 3.38Å; Q295-Y297 VanDerWaalsContact C-N 3.3Å; Q295-Y297 PolarHBondContact O-N 2.91Å; Q295-Q298 WeakPolarHBondContact O-CB 3.37Å; Q295-Q298 PolarHBondContact O-N 3.02Å
296	R	78.1	Confident	81.8	Confident	192 Å²	192	77 Å²	77	73%	0.725	39%	0.392	S	S	*	.	H	α-helix	trans	-61.2	-39	179	-177.2	176.6	177.7	-178.1	-1.4	112.5	S292 V293	S292-R296 WeakPolarHBondContact O-CB 3.42Å; S292-R296 PolarHBondContact O-N 2.85Å; V293-R296 PolarHBondContact O-N 3.42Å
297	Y	79.3	Confident	81.7	Confident	58 Å²	58	73.9 Å²	73.9	23%	0.227	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	24	-179.3	-57.5	-68.9	0	0	0	112.9	V293 L294 Q295 F299 L300 F301 F330 L338	V293-Y297 HydrophobicContact CG1-CD2 3.85Å; V293-Y297 HydrophobicContact CG1-CE2 4.17Å; V293-Y297 WeakPolarHBondContact O-CD2 3.17Å; V293-Y297 PolarHBondContact O-N 3.34Å; L294-Y297 CarbonylContact O-C 3.6Å; Q295-Y297 VanDerWaalsContact C-N 3.3Å; Q295-Y297 PolarHBondContact O-N 2.91Å; Y297-F299 PolarHBondContact O-N 3.08Å; Y297-F299 VanDerWaalsContact O-N 3.15Å; Y297-L300 PolarHBondContact O-N 3.12Å; Y297-F301 VanDerWaalsContact O-CD2 3.29Å; Y297-F301 WeakPolarHBondContact O-CD2 3.47Å; Y297-F301 PolarHBondContact O-N 3.02Å; Y297-F330 AromaticContact CD1-CE1 3.82Å; Y297-F330 HydrophobicContact CD1-CE1 3.82Å; Y297-F330 HydrophobicContact CD1-CZ 4.11Å; Y297-F330 HydrophobicContact CE1-CE1 4.09Å; Y297-L338 HydrophobicContact CD2-CD2 4.47Å; Y297-L338 HydrophobicContact CG-CD2 4.3Å
298	Q	81.9	Confident	81.5	Confident	110 Å²	110	76 Å²	76	51%	0.514	37%	0.372	S	S	.	.	H	α-helix	trans	-54.9	-37.2	-177.6	179.4	179.7	-30.8	0	0	112.1	L294 Q295 L300 F301 N302	L294-Q298 WeakPolarHBondContact O-CA 3.42Å; L294-Q298 WeakPolarHBondContact O-CB 3.3Å; L294-Q298 PolarHBondContact O-N 3.38Å; Q295-Q298 WeakPolarHBondContact O-CB 3.37Å; Q295-Q298 PolarHBondContact O-N 3.02Å; Q298-L300 PolarHBondContact O-N 3.11Å; Q298-F301 PolarHBondContact O-N 3.33Å; Q298-N302 WeakPolarHBondContact CG-ND2 3.36Å; Q298-N302 VanDerWaalsContact O-CB 3.3Å; Q298-N302 WeakPolarHBondContact O-CB 3.33Å; Q298-N302 PolarHBondContact O-N 3.46Å; Q298-N302 PolarHBondContact O-ND2 3.23Å
299	F	79.3	Confident	81.5	Confident	64 Å²	64	71.6 Å²	71.6	28%	0.281	36%	0.357	S	S	.	.	H	α-helix	trans	-55.6	-49.9	175.2	174	-104.4	0	0	0	111.6	Y297 N302 L303 D322 R325 A326 F330	Y297-F299 PolarHBondContact O-N 3.08Å; Y297-F299 VanDerWaalsContact O-N 3.15Å; F299-N302 PolarHBondContact O-N 3.35Å; F299-L303 HydrophobicContact CE1-CD2 4.4Å; F299-L303 HydrophobicContact CE2-CD1 4.39Å; F299-L303 HydrophobicContact CZ-CD1 4.07Å; F299-L303 VanDerWaalsContact O-CB 3.24Å; F299-L303 WeakPolarHBondContact O-CB 3.29Å; F299-L303 PolarHBondContact O-N 3.3Å; F299-D322 HydrophobicContact CZ-CB 4.37Å; F299-R325 HydrophobicContact CE1-CG 4.3Å; F299-R325 HydrophobicContact CZ-CB 4.38Å; F299-R325 HydrophobicContact CZ-CG 4.25Å; F299-A326 HydrophobicContact CE1-CB 4.3Å; F299-F330 HydrophobicContact CD1-CE2 4.39Å
300	L	75.1	Confident	81.4	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-68.1	-43	-177.6	-176.6	68.5	0	0	0	112.1	Y297 Q298 N302 L303 P304 F330 L338 V341	Y297-L300 PolarHBondContact O-N 3.12Å; Q298-L300 PolarHBondContact O-N 3.11Å; L300-N302 VanDerWaalsContact C-N 3.28Å; L300-N302 PolarHBondContact O-N 3.31Å; L300-L303 HydrophobicContact CD1-CD2 4.38Å; L300-L303 WeakPolarHBondContact O-CB 3.44Å; L300-L303 PolarHBondContact O-N 3.34Å; L300-P304 WeakPolarHBondContact O-CD 3.47Å; L300-F330 HydrophobicContact CB-CE2 4.07Å; L300-F330 HydrophobicContact CB-CZ 4.08Å; L300-F330 HydrophobicContact CD1-CD2 3.9Å; L300-F330 HydrophobicContact CD1-CE2 4.18Å; L300-F330 HydrophobicContact CD1-CG 4.3Å; L300-F330 HydrophobicContact CD2-CD1 4.09Å; L300-F330 HydrophobicContact CD2-CD2 4.45Å; L300-F330 HydrophobicContact CD2-CE1 4.17Å; L300-F330 HydrophobicContact CD2-CG 4.24Å; L300-F330 HydrophobicContact CD2-CZ 4.4Å; L300-F330 HydrophobicContact CG-CE2 4.48Å; L300-L338 HydrophobicContact CD2-CB 4.17Å; L300-L338 HydrophobicContact CD2-CD2 3.6Å; L300-L338 HydrophobicContact CD2-CG 4.43Å; L300-V341 HydrophobicContact CD1-CG1 4.38Å; L300-V341 HydrophobicContact CD2-CB 4.42Å; L300-V341 HydrophobicContact CD2-CG1 4.34Å; L300-V341 HydrophobicContact CG-CB 4.47Å; L300-V341 HydrophobicContact CG-CG1 3.87Å
301	F	78.8	Confident	81.3	Confident	65 Å²	65	66.7 Å²	66.7	29%	0.285	32%	0.323	S	S	.	.	H	α-helix	trans	-66.7	-31.7	179.8	-70.5	-67.4	0	0	0	112.6	L294 Y297 Q298 L338 V341	L294-F301 HydrophobicContact CD2-CD2 3.86Å; L294-F301 HydrophobicContact CD2-CE1 4.47Å; L294-F301 HydrophobicContact CD2-CE2 3.75Å; L294-F301 HydrophobicContact CD2-CG 4.3Å; L294-F301 HydrophobicContact CD2-CZ 4.07Å; Y297-F301 VanDerWaalsContact O-CD2 3.29Å; Y297-F301 WeakPolarHBondContact O-CD2 3.47Å; Y297-F301 PolarHBondContact O-N 3.02Å; Q298-F301 PolarHBondContact O-N 3.33Å; F301-L338 HydrophobicContact CZ-CD2 4.46Å; F301-V341 HydrophobicContact CD1-CG2 4.01Å; F301-V341 HydrophobicContact CE1-CG2 3.82Å
302	N	83.5	Confident	81.2	Confident	83 Å²	83	67.5 Å²	67.5	44%	0.444	34%	0.336	S	S	.	.	H	α-helix	trans	-86.8	-17.3	176.7	-68	-15.5	0	0	0	113.1	Q298 F299 L300 H305 A306	Q298-N302 WeakPolarHBondContact CG-ND2 3.36Å; Q298-N302 VanDerWaalsContact O-CB 3.3Å; Q298-N302 WeakPolarHBondContact O-CB 3.33Å; Q298-N302 PolarHBondContact O-N 3.46Å; Q298-N302 PolarHBondContact O-ND2 3.23Å; F299-N302 PolarHBondContact O-N 3.35Å; L300-N302 VanDerWaalsContact C-N 3.28Å; L300-N302 PolarHBondContact O-N 3.31Å; N302-H305 WeakPolarHBondContact O-CB 3.24Å; N302-H305 PolarHBondContact O-N 3.27Å; N302-A306 PolarHBondContact O-N 2.94Å
303	L	83.3	Confident	81.2	Confident	2 Å²	2	70.9 Å²	70.9	1%	0.01	34%	0.342	C	S	.	.	H	α-helix	trans	-56.6	-47.1	-175.4	-179.1	66.1	0	0	0	113.6	F299 L300 H305 A306 I307 D322 A326 V345	F299-L303 HydrophobicContact CE1-CD2 4.4Å; F299-L303 HydrophobicContact CE2-CD1 4.39Å; F299-L303 HydrophobicContact CZ-CD1 4.07Å; F299-L303 VanDerWaalsContact O-CB 3.24Å; F299-L303 WeakPolarHBondContact O-CB 3.29Å; F299-L303 PolarHBondContact O-N 3.3Å; L300-L303 HydrophobicContact CD1-CD2 4.38Å; L300-L303 WeakPolarHBondContact O-CB 3.44Å; L300-L303 PolarHBondContact O-N 3.34Å; L303-H305 PolarHBondContact O-N 2.98Å; L303-A306 PolarHBondContact O-N 3.47Å; L303-I307 HydrophobicContact CD1-CD1 3.79Å; L303-I307 HydrophobicContact CD1-CG1 3.88Å; L303-I307 HydrophobicContact CD2-CD1 4.42Å; L303-I307 HydrophobicContact CG-CD1 3.72Å; L303-I307 HydrophobicContact CG-CG1 4.23Å; L303-I307 WeakPolarHBondContact O-CB 3.48Å; L303-I307 VanDerWaalsContact O-CG1 3.31Å; L303-I307 WeakPolarHBondContact O-CG1 3.49Å; L303-I307 PolarHBondContact O-N 3.27Å; L303-D322 HydrophobicContact CD1-CB 3.66Å; L303-A326 HydrophobicContact CD2-CB 3.26Å; L303-V345 HydrophobicContact CB-CG2 4.36Å; L303-V345 HydrophobicContact CD2-CG1 3.81Å; L303-V345 HydrophobicContact CD2-CG2 3.89Å; L303-V345 HydrophobicContact CG-CG1 4.26Å; L303-V345 HydrophobicContact CG-CG2 4.1Å
304	P	79.4	Confident	81	Confident	15 Å²	15	69.7 Å²	69.7	10%	0.097	34%	0.342	C	S	.	.	H	α-helix	trans	-56.5	-37.3	175.6	-22.9	28.8	0	0	0	113.2	L300 R308 V341 V345	L300-P304 WeakPolarHBondContact O-CD 3.47Å; P304-R308 VanDerWaalsContact O-CG 3.3Å; P304-R308 WeakPolarHBondContact O-CG 3.3Å; P304-R308 PolarHBondContact O-N 3.46Å; P304-R308 PolarHBondContact O-NH1 3.47Å; P304-V341 HydrophobicContact CG-CG1 4.33Å; P304-V345 HydrophobicContact CG-CG2 3.66Å
305	H	81.8	Confident	81.2	Confident	127 Å²	127	69.1 Å²	69.1	59%	0.588	34%	0.34	S	S	*	.	H	α-helix	trans	-73.9	-46.4	177.7	-178.2	78.2	0	0	0	111.4	N302 L303 I307 R308 T309	N302-H305 WeakPolarHBondContact O-CB 3.24Å; N302-H305 PolarHBondContact O-N 3.27Å; L303-H305 PolarHBondContact O-N 2.98Å; H305-I307 VanDerWaalsContact C-N 3.31Å; H305-I307 PolarHBondContact O-N 2.96Å; H305-R308 PolarHBondContact O-N 2.89Å; H305-R308 VanDerWaalsContact O-N 3.16Å; H305-T309 PolarHBondContact O-N 3.44Å; H305-T309 PolarHBondContact O-OG1 3.15Å
306	A	82.2	Confident	81.1	Confident	31 Å²	31	64.6 Å²	64.6	26%	0.256	32%	0.317	S	S	.	.	H	α-helix	trans	-57.5	-43.8	177.6	0	0	0	0	0	111.8	N302 L303 R308 T309 N310	N302-A306 PolarHBondContact O-N 2.94Å; L303-A306 PolarHBondContact O-N 3.47Å; A306-R308 PolarHBondContact O-N 3.01Å; A306-T309 PolarHBondContact O-N 3.49Å; A306-N310 WeakPolarHBondContact O-CB 3.18Å; A306-N310 PolarHBondContact O-N 3.37Å; A306-N310 PolarHBondContact O-ND2 3.4Å
307	I	82.7	Confident	81.2	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-60.2	-48.5	176.1	-69.2	170.5	0	0	0	110.6	L303 H305 T309 N310 I311 V319 V345 V348 V349	L303-I307 HydrophobicContact CD1-CD1 3.79Å; L303-I307 HydrophobicContact CD1-CG1 3.88Å; L303-I307 HydrophobicContact CD2-CD1 4.42Å; L303-I307 HydrophobicContact CG-CD1 3.72Å; L303-I307 HydrophobicContact CG-CG1 4.23Å; L303-I307 WeakPolarHBondContact O-CB 3.48Å; L303-I307 VanDerWaalsContact O-CG1 3.31Å; L303-I307 WeakPolarHBondContact O-CG1 3.49Å; L303-I307 PolarHBondContact O-N 3.27Å; H305-I307 VanDerWaalsContact C-N 3.31Å; H305-I307 PolarHBondContact O-N 2.96Å; I307-T309 VanDerWaalsContact C-N 3.33Å; I307-T309 PolarHBondContact O-N 3.34Å; I307-N310 PolarHBondContact O-N 2.95Å; I307-I311 HydrophobicContact CG2-CD1 3.57Å; I307-I311 HydrophobicContact CG2-CG1 4.21Å; I307-I311 WeakPolarHBondContact O-CB 3.19Å; I307-I311 WeakPolarHBondContact O-CD1 3.04Å; I307-I311 WeakPolarHBondContact O-CG1 3.42Å; I307-I311 PolarHBondContact O-N 3.2Å; I307-V319 HydrophobicContact CG1-CG1 4.38Å; I307-V319 HydrophobicContact CG2-CG1 3.8Å; I307-V345 HydrophobicContact CD1-CG1 3.78Å; I307-V348 HydrophobicContact CB-CG1 4.24Å; I307-V348 HydrophobicContact CG2-CG1 3.49Å; I307-V348 VanDerWaalsContact CG2-CG1 3.49Å; I307-V349 HydrophobicContact CD1-CG2 4.15Å
308	R	82.6	Confident	81.4	Confident	128 Å²	128	61.3 Å²	61.3	48%	0.483	32%	0.317	S	S	.	.	H	α-helix	trans	-60.7	-42.4	179.1	-69.5	-178.5	-162	99.6	-4.4	112.3	P304 H305 A306 I311 S312 V348	P304-R308 VanDerWaalsContact O-CG 3.3Å; P304-R308 WeakPolarHBondContact O-CG 3.3Å; P304-R308 PolarHBondContact O-N 3.46Å; P304-R308 PolarHBondContact O-NH1 3.47Å; H305-R308 PolarHBondContact O-N 2.89Å; H305-R308 VanDerWaalsContact O-N 3.16Å; A306-R308 PolarHBondContact O-N 3.01Å; R308-I311 PolarHBondContact O-N 2.84Å; R308-S312 PolarHBondContact O-N 3.31Å; R308-S312 VanDerWaalsContact O-N 3.08Å; R308-V348 HydrophobicContact CG-CG1 4.01Å
309	T	84	Confident	81.4	Confident	44 Å²	44	56.1 Å²	56.1	27%	0.27	29%	0.294	S	S	.	.	H	α-helix	trans	-67.9	-42.2	178.7	-59	0	0	0	0	111.5	H305 A306 I307 S312 K313	H305-T309 PolarHBondContact O-N 3.44Å; H305-T309 PolarHBondContact O-OG1 3.15Å; A306-T309 PolarHBondContact O-N 3.49Å; I307-T309 VanDerWaalsContact C-N 3.33Å; I307-T309 PolarHBondContact O-N 3.34Å; T309-S312 PolarHBondContact O-N 3.18Å; T309-S312 PolarHBondContact O-OG 3.42Å; T309-K313 HydrophobicContact CG2-CD 4.45Å; T309-K313 WeakPolarHBondContact O-CG 3.27Å; T309-K313 PolarHBondContact O-N 2.81Å; T309-K313 VanDerWaalsContact O-N 3.12Å
310	N	83.6	Confident	81.4	Confident	22 Å²	22	53.3 Å²	53.3	12%	0.118	28%	0.281	C	S	.	.	H	α-helix	trans	-68.5	-35.3	178.2	-67.5	-12.5	0	0	0	111.8	A306 I307 S312 K313 G314 D315 V319	A306-N310 WeakPolarHBondContact O-CB 3.18Å; A306-N310 PolarHBondContact O-N 3.37Å; A306-N310 PolarHBondContact O-ND2 3.4Å; I307-N310 PolarHBondContact O-N 2.95Å; N310-S312 VanDerWaalsContact C-N 3.33Å; N310-S312 PolarHBondContact O-N 3.48Å; N310-K313 PolarHBondContact O-N 3.05Å; N310-G314 PolarHBondContact O-N 3.27Å; N310-G314 VanDerWaalsContact O-N 3.1Å; N310-D315 PolarHBondContact O-N 2.9Å; N310-D315 VanDerWaalsContact O-N 3.16Å; N310-V319 HydrophobicContact CB-CG2 3.48Å; N310-V319 VanDerWaalsContact CB-CG2 3.48Å
311	I	81	Confident	81.7	Confident	32 Å²	32	58 Å²	58	16%	0.164	31%	0.306	C	S	.	.	H	α-helix	trans	-59	-45.5	170.1	-69.5	167.1	0	0	0	110.5	I307 R308 K313 G314 V319 V348 F352 M355	I307-I311 HydrophobicContact CG2-CD1 3.57Å; I307-I311 HydrophobicContact CG2-CG1 4.21Å; I307-I311 WeakPolarHBondContact O-CB 3.19Å; I307-I311 WeakPolarHBondContact O-CD1 3.04Å; I307-I311 WeakPolarHBondContact O-CG1 3.42Å; I307-I311 PolarHBondContact O-N 3.2Å; R308-I311 PolarHBondContact O-N 2.84Å; I311-K313 PolarHBondContact O-N 3.39Å; I311-G314 PolarHBondContact O-N 3.02Å; I311-V319 HydrophobicContact CG1-CG2 4.04Å; I311-V348 HydrophobicContact CD1-CG1 4.36Å; I311-F352 HydrophobicContact CD1-CB 3.78Å; I311-F352 HydrophobicContact CD1-CD2 3.68Å; I311-F352 HydrophobicContact CD1-CG 3.88Å; I311-F352 HydrophobicContact CG1-CD2 3.58Å; I311-F352 HydrophobicContact CG1-CE2 3.96Å; I311-F352 HydrophobicContact CG1-CG 4.16Å; I311-F352 HydrophobicContact CG2-CD2 4.24Å; I311-M355 HydrophobicContact CG2-CE 3.88Å; I311-M355 HydrophobicContact CG2-SD 3.92Å
312	S	81.2	Confident	81.9	Confident	97 Å²	97	56.7 Å²	56.7	68%	0.678	30%	0.302	S	S	*	.	H	α-helix	trans	-66.8	-22.4	178.9	69.2	0	0	0	0	114.1	R308 T309 N310	R308-S312 PolarHBondContact O-N 3.31Å; R308-S312 VanDerWaalsContact O-N 3.08Å; T309-S312 PolarHBondContact O-N 3.18Å; T309-S312 PolarHBondContact O-OG 3.42Å; N310-S312 VanDerWaalsContact C-N 3.33Å; N310-S312 PolarHBondContact O-N 3.48Å
313	K	82.7	Confident	81.9	Confident	139 Å²	139	53.9 Å²	53.9	60%	0.604	29%	0.286	S	S	*	.	H	α-helix	trans	-87.4	-18.1	176.6	-70.5	175.4	178.2	-179.9	0	113.6	T309 N310 I311	T309-K313 HydrophobicContact CG2-CD 4.45Å; T309-K313 WeakPolarHBondContact O-CG 3.27Å; T309-K313 PolarHBondContact O-N 2.81Å; T309-K313 VanDerWaalsContact O-N 3.12Å; N310-K313 PolarHBondContact O-N 3.05Å; I311-K313 PolarHBondContact O-N 3.39Å
314	G	77.4	Confident	81.7	Confident	36 Å²	36	56.7 Å²	56.7	37%	0.371	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.4	3.9	-175	0	0	0	0	0	114.8	N310 I311 Y316	N310-G314 PolarHBondContact O-N 3.27Å; N310-G314 VanDerWaalsContact O-N 3.1Å; I311-G314 PolarHBondContact O-N 3.02Å; G314-Y316 VanDerWaalsContact C-N 3.27Å; G314-Y316 PolarHBondContact O-N 3.29Å
315	D	83.9	Confident	81.8	Confident	77 Å²	77	63 Å²	63	41%	0.412	32%	0.322	S	S	.	.			trans	-82.1	67.5	-178	-69.2	-37.1	0	0	0	111.9	N310 N317 L318 V319	N310-D315 PolarHBondContact O-N 2.9Å; N310-D315 VanDerWaalsContact O-N 3.16Å; D315-N317 VanDerWaalsContact C-N 3.26Å; D315-N317 PolarHBondContact O-N 3.39Å; D315-L318 HydrophobicContact CB-CB 4.43Å; D315-L318 HydrophobicContact CB-CD1 4.04Å; D315-L318 HydrophobicContact CB-CG 4.37Å; D315-L318 PolarHBondContact O-N 3.49Å; D315-V319 PolarHBondContact O-N 3.06Å
316	Y	82.1	Confident	81.7	Confident	35 Å²	35	57 Å²	57	14%	0.137	29%	0.294	C	S	.	.	H	α-helix	trans	-62.2	-31.4	-176.5	-56.3	-35.5	0	0	0	113.4	G314 L318 V319 L320 F352 M355 L356 Q359 Y376	G314-Y316 VanDerWaalsContact C-N 3.27Å; G314-Y316 PolarHBondContact O-N 3.29Å; Y316-L318 PolarHBondContact O-N 2.84Å; Y316-V319 PolarHBondContact O-N 2.71Å; Y316-L320 WeakPolarHBondContact O-CB 3.31Å; Y316-L320 PolarHBondContact O-N 3.05Å; Y316-F352 AromaticContact CD1-CE2 3.36Å; Y316-F352 HydrophobicContact CD1-CE2 3.36Å; Y316-F352 AromaticContact CD1-CZ 3.39Å; Y316-F352 HydrophobicContact CD1-CZ 3.39Å; Y316-F352 AromaticContact CE1-CE2 3.57Å; Y316-F352 HydrophobicContact CE1-CE2 3.57Å; Y316-F352 HydrophobicContact CE1-CZ 4.07Å; Y316-F352 HydrophobicContact CG-CE2 4.18Å; Y316-F352 AromaticContact CG-CZ 3.8Å; Y316-F352 HydrophobicContact CG-CZ 3.8Å; Y316-M355 HydrophobicContact CE1-CE 3.93Å; Y316-L356 HydrophobicContact CD2-CD2 4.24Å; Y316-L356 HydrophobicContact CE2-CD2 4.03Å; Y316-Q359 PolarHBondContact OH-OE1 2.96Å; Y316-Y376 AromaticContact CD2-CD2 3.99Å; Y316-Y376 HydrophobicContact CD2-CD2 3.99Å; Y316-Y376 AromaticContact CD2-CE2 3.68Å; Y316-Y376 HydrophobicContact CD2-CE2 3.68Å; Y316-Y376 HydrophobicContact CG-CD2 4.27Å; Y316-Y376 HydrophobicContact CG-CE2 4.11Å
317	N	80.2	Confident	81.5	Confident	95 Å²	95	58.2 Å²	58.2	51%	0.508	29%	0.294	S	S	.	.	H	α-helix	trans	-59	-43.6	175.2	-74	-53.3	0	0	0	112.7	D315 L320 N321 Y376	D315-N317 VanDerWaalsContact C-N 3.26Å; D315-N317 PolarHBondContact O-N 3.39Å; N317-L320 PolarHBondContact O-N 2.93Å; N317-N321 VanDerWaalsContact O-CG 3.32Å; N317-N321 PolarHBondContact O-N 3.29Å; N317-N321 PolarHBondContact O-ND2 3.4Å; N317-N321 VanDerWaalsContact O-ND2 3.15Å; N317-Y376 PolarHBondContact ND2-OH 2.99Å; N317-Y376 VanDerWaalsContact OD1-CE1 3.22Å; N317-Y376 WeakPolarHBondContact OD1-CE1 3.46Å; N317-Y376 PolarHBondContact OD1-OH 2.92Å
318	L	82.2	Confident	81.4	Confident	85 Å²	85	62.9 Å²	62.9	45%	0.445	33%	0.326	S	S	.	.	H	α-helix	trans	-69.6	-40.8	-179.6	-67.1	177	0	0	0	111	D315 Y316 L320 N321 D322	D315-L318 HydrophobicContact CB-CB 4.43Å; D315-L318 HydrophobicContact CB-CD1 4.04Å; D315-L318 HydrophobicContact CB-CG 4.37Å; D315-L318 PolarHBondContact O-N 3.49Å; Y316-L318 PolarHBondContact O-N 2.84Å; L318-L320 VanDerWaalsContact C-N 3.28Å; L318-L320 PolarHBondContact O-N 3.3Å; L318-N321 PolarHBondContact O-N 3.4Å; L318-D322 WeakPolarHBondContact O-CB 3.23Å; L318-D322 PolarHBondContact O-N 3.09Å
319	V	82.7	Confident	81	Confident	2 Å²	2	61.8 Å²	61.8	1%	0.012	33%	0.33	C	S	.	.	H	α-helix	trans	-55.9	-45.7	175.1	174.1	0	0	0	0	111.1	I307 N310 I311 D315 Y316 Y323 F352	I307-V319 HydrophobicContact CG1-CG1 4.38Å; I307-V319 HydrophobicContact CG2-CG1 3.8Å; N310-V319 HydrophobicContact CB-CG2 3.48Å; N310-V319 VanDerWaalsContact CB-CG2 3.48Å; I311-V319 HydrophobicContact CG1-CG2 4.04Å; D315-V319 PolarHBondContact O-N 3.06Å; Y316-V319 PolarHBondContact O-N 2.71Å; V319-Y323 VanDerWaalsContact O-CB 3.29Å; V319-Y323 WeakPolarHBondContact O-CB 3.4Å; V319-Y323 PolarHBondContact O-N 3.5Å; V319-F352 HydrophobicContact CG1-CD1 4.09Å; V319-F352 HydrophobicContact CG1-CE1 4.02Å
320	L	78.3	Confident	80.4	Confident	5 Å²	5	60.7 Å²	60.7	3%	0.026	32%	0.321	C	S	.	.	H	α-helix	trans	-69.4	-44.5	-177.5	-172.2	54.2	0	0	0	112.1	Y316 N317 L318 D322 Y323 L324 Y376 Q379 L380	Y316-L320 WeakPolarHBondContact O-CB 3.31Å; Y316-L320 PolarHBondContact O-N 3.05Å; N317-L320 PolarHBondContact O-N 2.93Å; L318-L320 VanDerWaalsContact C-N 3.28Å; L318-L320 PolarHBondContact O-N 3.3Å; L320-D322 PolarHBondContact O-N 2.95Å; L320-Y323 PolarHBondContact O-N 3.08Å; L320-L324 HydrophobicContact CD1-CD1 4.3Å; L320-L324 HydrophobicContact CD1-CG 4.28Å; L320-L324 HydrophobicContact CG-CD1 4.18Å; L320-L324 WeakPolarHBondContact O-CB 3.48Å; L320-L324 VanDerWaalsContact O-CG 3.31Å; L320-L324 WeakPolarHBondContact O-CG 3.43Å; L320-L324 PolarHBondContact O-N 2.87Å; L320-Y376 HydrophobicContact CD2-CD1 3.78Å; L320-Q379 HydrophobicContact CD1-CB 3.99Å; L320-Q379 HydrophobicContact CD2-CB 3.79Å; L320-Q379 VanDerWaalsContact CD2-CD 3.49Å; L320-Q379 HydrophobicContact CD2-CG 4.22Å; L320-Q379 HydrophobicContact CG-CB 4.31Å; L320-L380 HydrophobicContact CD1-CD2 3.8Å; L320-L380 HydrophobicContact CD1-CG 4.04Å
321	N	82.8	Confident	79.6	Confident	97 Å²	97	62.8 Å²	62.8	52%	0.519	34%	0.338	S	S	.	.	H	α-helix	trans	-62	-43.5	175.9	-73.6	-32.3	0	0	0	112.1	N317 L318 R325	N317-N321 VanDerWaalsContact O-CG 3.32Å; N317-N321 PolarHBondContact O-N 3.29Å; N317-N321 PolarHBondContact O-ND2 3.4Å; N317-N321 VanDerWaalsContact O-ND2 3.15Å; L318-N321 PolarHBondContact O-N 3.4Å; N321-R325 VanDerWaalsContact O-CB 3.23Å; N321-R325 WeakPolarHBondContact O-CB 3.42Å; N321-R325 PolarHBondContact O-N 2.96Å
322	D	82.8	Confident	79	Confident	38 Å²	38	68.1 Å²	68.1	20%	0.203	37%	0.367	C	S	.	.	H	α-helix	trans	-65.7	-38.9	177.3	-75.4	-21.4	0	0	0	111.5	F299 L303 L318 L320 A326	F299-D322 HydrophobicContact CZ-CB 4.37Å; L303-D322 HydrophobicContact CD1-CB 3.66Å; L318-D322 WeakPolarHBondContact O-CB 3.23Å; L318-D322 PolarHBondContact O-N 3.09Å; L320-D322 PolarHBondContact O-N 2.95Å; D322-A326 WeakPolarHBondContact O-CB 3.39Å; D322-A326 PolarHBondContact O-N 3.16Å
323	Y	82.6	Confident	78.4	Confident	24 Å²	24	65 Å²	65	9%	0.094	35%	0.345	C	S	.	.	H	α-helix	trans	-67.1	-48.3	175.3	175	-114.8	0	0	0	112.7	V319 L320 R325 A326 K327 V345 V349 L380	V319-Y323 VanDerWaalsContact O-CB 3.29Å; V319-Y323 WeakPolarHBondContact O-CB 3.4Å; V319-Y323 PolarHBondContact O-N 3.5Å; L320-Y323 PolarHBondContact O-N 3.08Å; Y323-R325 VanDerWaalsContact C-N 3.29Å; Y323-R325 PolarHBondContact O-N 3.15Å; Y323-A326 CarbonylContact O-C 3.59Å; Y323-A326 WeakPolarHBondContact O-CA 3.35Å; Y323-A326 WeakPolarHBondContact O-CB 3.33Å; Y323-A326 PolarHBondContact O-N 3.45Å; Y323-K327 PolarHBondContact O-N 2.83Å; Y323-V345 HydrophobicContact CD2-CG1 4.18Å; Y323-V349 HydrophobicContact CD1-CG1 4.17Å; Y323-V349 HydrophobicContact CD2-CB 4.32Å; Y323-V349 HydrophobicContact CD2-CG1 4.25Å; Y323-V349 HydrophobicContact CD2-CG2 3.52Å; Y323-V349 HydrophobicContact CE1-CG1 4.03Å; Y323-V349 HydrophobicContact CE2-CB 4.24Å; Y323-V349 HydrophobicContact CE2-CG1 4.1Å; Y323-V349 HydrophobicContact CE2-CG2 3.89Å; Y323-V349 HydrophobicContact CG-CG1 4.26Å; Y323-V349 HydrophobicContact CG-CG2 3.93Å; Y323-L380 HydrophobicContact CD1-CD2 3.75Å; Y323-L380 HydrophobicContact CE1-CD2 3.85Å
324	L	80.1	Confident	77.6	Confident	61 Å²	61	65.8 Å²	65.8	32%	0.319	36%	0.355	S	S	.	.	H	α-helix	trans	-61.6	-39.3	177.8	-71.3	173.8	0	0	0	111.3	L320 A326 K327 S328	L320-L324 HydrophobicContact CD1-CD1 4.3Å; L320-L324 HydrophobicContact CD1-CG 4.28Å; L320-L324 HydrophobicContact CG-CD1 4.18Å; L320-L324 WeakPolarHBondContact O-CB 3.48Å; L320-L324 VanDerWaalsContact O-CG 3.31Å; L320-L324 WeakPolarHBondContact O-CG 3.43Å; L320-L324 PolarHBondContact O-N 2.87Å; L324-A326 VanDerWaalsContact C-N 3.33Å; L324-A326 PolarHBondContact O-N 3.39Å; L324-K327 PolarHBondContact O-N 3.37Å; L324-S328 WeakPolarHBondContact O-CB 3.4Å; L324-S328 PolarHBondContact O-N 3.38Å
325	R	81.9	Confident	77.4	Confident	149 Å²	149	66.4 Å²	66.4	56%	0.562	36%	0.357	S	S	*	.	H	α-helix	trans	-61.7	-40.4	172.3	-174.9	178.2	-177	178.7	2.5	111.9	F299 N321 Y323 L329	F299-R325 HydrophobicContact CE1-CG 4.3Å; F299-R325 HydrophobicContact CZ-CB 4.38Å; F299-R325 HydrophobicContact CZ-CG 4.25Å; N321-R325 VanDerWaalsContact O-CB 3.23Å; N321-R325 WeakPolarHBondContact O-CB 3.42Å; N321-R325 PolarHBondContact O-N 2.96Å; Y323-R325 VanDerWaalsContact C-N 3.29Å; Y323-R325 PolarHBondContact O-N 3.15Å; R325-L329 HydrophobicContact CG-CD1 4.06Å; R325-L329 VanDerWaalsContact O-CG 3.3Å; R325-L329 WeakPolarHBondContact O-CG 3.48Å; R325-L329 PolarHBondContact O-N 3.05Å
326	A	79.2	Confident	77	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-69.5	-42.9	177.1	0	0	0	0	0	112.7	F299 L303 D322 Y323 L324 S328 L329 F330	F299-A326 HydrophobicContact CE1-CB 4.3Å; L303-A326 HydrophobicContact CD2-CB 3.26Å; D322-A326 WeakPolarHBondContact O-CB 3.39Å; D322-A326 PolarHBondContact O-N 3.16Å; Y323-A326 CarbonylContact O-C 3.59Å; Y323-A326 WeakPolarHBondContact O-CA 3.35Å; Y323-A326 WeakPolarHBondContact O-CB 3.33Å; Y323-A326 PolarHBondContact O-N 3.45Å; L324-A326 VanDerWaalsContact C-N 3.33Å; L324-A326 PolarHBondContact O-N 3.39Å; A326-S328 VanDerWaalsContact C-N 3.34Å; A326-S328 PolarHBondContact O-N 3.41Å; A326-L329 PolarHBondContact O-N 2.87Å; A326-F330 WeakPolarHBondContact O-CD2 3.48Å; A326-F330 PolarHBondContact O-N 2.84Å
327	K	77.7	Confident	76.8	Confident	56 Å²	56	72.6 Å²	72.6	24%	0.243	39%	0.391	C	S	.	.	H	α-helix	trans	-57.2	-47.3	174.4	-171.5	177.2	-179.2	-175.8	0	110.2	Y323 L324 L329 S331 E381	Y323-K327 PolarHBondContact O-N 2.83Å; L324-K327 PolarHBondContact O-N 3.37Å; K327-L329 VanDerWaalsContact C-N 3.35Å; K327-L329 PolarHBondContact O-N 3.37Å; K327-S331 WeakPolarHBondContact O-CB 3.48Å; K327-S331 PolarHBondContact O-N 3.06Å; K327-S331 PolarHBondContact O-OG 3.36Å; K327-E381 IonicContact NZ-OE1 2.67Å; K327-E381 PolarHBondContact NZ-OE1 3.47Å; K327-E381 IonicContact NZ-OE2 3.64Å; K327-E381 PolarHBondContact NZ-OE2 3.4Å
328	S	79.5	Confident	76.6	Confident	98 Å²	98	68.8 Å²	68.8	69%	0.685	37%	0.371	S	S	*	.	H	α-helix	trans	-64.2	-32.4	179.2	179.2	0	0	0	0	114.6	L324 A326	L324-S328 WeakPolarHBondContact O-CB 3.4Å; L324-S328 PolarHBondContact O-N 3.38Å; A326-S328 VanDerWaalsContact C-N 3.34Å; A326-S328 PolarHBondContact O-N 3.41Å
329	L	75.8	Confident	76.3	Confident	105 Å²	105	70.8 Å²	70.8	55%	0.55	37%	0.373	S	S	.	.	H	α-helix	trans	-93.2	-30.8	-174.2	-69.2	174.4	0	0	0	113.4	R325 A326 K327	R325-L329 HydrophobicContact CG-CD1 4.06Å; R325-L329 VanDerWaalsContact O-CG 3.3Å; R325-L329 WeakPolarHBondContact O-CG 3.48Å; R325-L329 PolarHBondContact O-N 3.05Å; A326-L329 PolarHBondContact O-N 2.87Å; K327-L329 VanDerWaalsContact C-N 3.35Å; K327-L329 PolarHBondContact O-N 3.37Å
330	F	71.7	Confident	76.2	Confident	21 Å²	21	78.3 Å²	78.3	9%	0.092	40%	0.401	C	S	.	.	H	α-helix	trans	-123.3	-0.7	-166.8	-58.8	-74	0	0	0	114.9	Y297 F299 L300 A326 N332 S333 Y342	Y297-F330 AromaticContact CD1-CE1 3.82Å; Y297-F330 HydrophobicContact CD1-CE1 3.82Å; Y297-F330 HydrophobicContact CD1-CZ 4.11Å; Y297-F330 HydrophobicContact CE1-CE1 4.09Å; F299-F330 HydrophobicContact CD1-CE2 4.39Å; L300-F330 HydrophobicContact CB-CE2 4.07Å; L300-F330 HydrophobicContact CB-CZ 4.08Å; L300-F330 HydrophobicContact CD1-CD2 3.9Å; L300-F330 HydrophobicContact CD1-CE2 4.18Å; L300-F330 HydrophobicContact CD1-CG 4.3Å; L300-F330 HydrophobicContact CD2-CD1 4.09Å; L300-F330 HydrophobicContact CD2-CD2 4.45Å; L300-F330 HydrophobicContact CD2-CE1 4.17Å; L300-F330 HydrophobicContact CD2-CG 4.24Å; L300-F330 HydrophobicContact CD2-CZ 4.4Å; L300-F330 HydrophobicContact CG-CE2 4.48Å; A326-F330 WeakPolarHBondContact O-CD2 3.48Å; A326-F330 PolarHBondContact O-N 2.84Å; F330-N332 PolarHBondContact O-N 3.49Å; F330-N332 VanDerWaalsContact O-N 3.08Å; F330-S333 PolarHBondContact O-N 3.33Å; F330-S333 PolarHBondContact O-OG 3.23Å; F330-Y342 HydrophobicContact CB-CD2 4.12Å
331	S	65	Low	76.2	Confident	66 Å²	66	79 Å²	79	46%	0.462	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-32.9	178.4	63.6	0	0	0	0	113	K327	K327-S331 WeakPolarHBondContact O-CB 3.48Å; K327-S331 PolarHBondContact O-N 3.06Å; K327-S331 PolarHBondContact O-OG 3.36Å
332	N	68.5	Low	76.1	Confident	145 Å²	145	75.4 Å²	75.4	78%	0.775	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.5	22.1	-173.2	-58	2	0	0	0	113.2	F330	F330-N332 PolarHBondContact O-N 3.49Å; F330-N332 VanDerWaalsContact O-N 3.08Å
333	S	69	Low	76.1	Confident	31 Å²	31	75.4 Å²	75.4	22%	0.217	39%	0.387	C	S	.	.			trans	-74	130	-177.8	66.5	0	0	0	0	112.5	F330 A335	F330-S333 PolarHBondContact O-N 3.33Å; F330-S333 PolarHBondContact O-OG 3.23Å; S333-A335 VanDerWaalsContact C-N 3.32Å; S333-A335 PolarHBondContact O-N 2.97Å
334	D	65.7	Low	76.1	Confident	155 Å²	155	77 Å²	77	83%	0.829	40%	0.398	S	S	*	.			trans	-70	-23.6	-177.6	-66.1	-39.6	0	0	0	114.2	E336	D334-E336 PolarHBondContact O-N 3.21Å
335	A	74.2	Confident	76.2	Confident	49 Å²	49	74.1 Å²	74.1	41%	0.405	38%	0.383	S	S	.	.			trans	-74.3	123.5	-173.7	0	0	0	0	0	112.7	S333 V337 L338 R339	S333-A335 VanDerWaalsContact C-N 3.32Å; S333-A335 PolarHBondContact O-N 2.97Å; A335-V337 VanDerWaalsContact C-N 3.3Å; A335-V337 PolarHBondContact O-N 3.39Å; A335-L338 HydrophobicContact CB-CB 4.28Å; A335-L338 HydrophobicContact CB-CD1 3.92Å; A335-L338 HydrophobicContact CB-CG 3.95Å; A335-L338 PolarHBondContact O-N 2.87Å; A335-L338 VanDerWaalsContact O-N 3.12Å; A335-R339 PolarHBondContact O-N 2.92Å
336	E	76	Confident	76.3	Confident	143 Å²	143	70.8 Å²	70.8	67%	0.668	37%	0.374	S	S	*	.	H	α-helix	trans	-58	-38.4	-178.7	-58.7	-159.5	135.3	0	0	113.6	D334 R339 R340	D334-E336 PolarHBondContact O-N 3.21Å; E336-R339 WeakPolarHBondContact O-CB 3.48Å; E336-R339 PolarHBondContact O-N 3.05Å; E336-R339 IonicContact OE1-NH1 3.17Å; E336-R340 PolarHBondContact O-N 3.16Å
337	V	77	Confident	76.6	Confident	99 Å²	99	74.8 Å²	74.8	60%	0.6	40%	0.395	S	S	*	.	H	α-helix	trans	-64.1	-42.4	178.5	-179.1	0	0	0	0	110.9	A335 R340 V341	A335-V337 VanDerWaalsContact C-N 3.3Å; A335-V337 PolarHBondContact O-N 3.39Å; V337-R340 PolarHBondContact O-N 3.37Å; V337-V341 WeakPolarHBondContact O-CG2 3.4Å; V337-V341 PolarHBondContact O-N 3.22Å; V337-V341 VanDerWaalsContact O-N 3.11Å
338	L	75.3	Confident	77	Confident	16 Å²	16	72.7 Å²	72.7	8%	0.084	39%	0.387	C	S	.	.	H	α-helix	trans	-68	-39.6	177.8	-60.7	179.2	0	0	0	110.8	Y297 L300 F301 A335 R340 V341 Y342	Y297-L338 HydrophobicContact CD2-CD2 4.47Å; Y297-L338 HydrophobicContact CG-CD2 4.3Å; L300-L338 HydrophobicContact CD2-CB 4.17Å; L300-L338 HydrophobicContact CD2-CD2 3.6Å; L300-L338 HydrophobicContact CD2-CG 4.43Å; F301-L338 HydrophobicContact CZ-CD2 4.46Å; A335-L338 HydrophobicContact CB-CB 4.28Å; A335-L338 HydrophobicContact CB-CD1 3.92Å; A335-L338 HydrophobicContact CB-CG 3.95Å; A335-L338 PolarHBondContact O-N 2.87Å; A335-L338 VanDerWaalsContact O-N 3.12Å; L338-R340 VanDerWaalsContact C-N 3.29Å; L338-R340 PolarHBondContact O-N 3.46Å; L338-V341 PolarHBondContact O-N 2.78Å; L338-Y342 VanDerWaalsContact O-CB 3.27Å; L338-Y342 WeakPolarHBondContact O-CB 3.31Å; L338-Y342 PolarHBondContact O-N 3.05Å
339	R	77.3	Confident	77.2	Confident	127 Å²	127	68.3 Å²	68.3	48%	0.479	36%	0.356	S	S	.	.	H	α-helix	trans	-59.6	-39.8	174	-160.5	-166.8	-46.1	134.4	6.5	111.8	A335 E336 S343	A335-R339 PolarHBondContact O-N 2.92Å; E336-R339 WeakPolarHBondContact O-CB 3.48Å; E336-R339 PolarHBondContact O-N 3.05Å; E336-R339 IonicContact OE1-NH1 3.17Å; R339-S343 WeakPolarHBondContact O-CB 3.29Å; R339-S343 PolarHBondContact O-N 3.4Å
340	R	80.1	Confident	77.6	Confident	159 Å²	159	65.8 Å²	65.8	60%	0.6	35%	0.35	S	S	*	.	H	α-helix	trans	-66.1	-46.3	177.4	-177.5	60.2	-171	-178.2	3.5	112	E336 V337 L338 Y342 S343 D344	E336-R340 PolarHBondContact O-N 3.16Å; V337-R340 PolarHBondContact O-N 3.37Å; L338-R340 VanDerWaalsContact C-N 3.29Å; L338-R340 PolarHBondContact O-N 3.46Å; R340-Y342 VanDerWaalsContact C-N 3.34Å; R340-S343 WeakPolarHBondContact O-CB 3.33Å; R340-S343 PolarHBondContact O-N 3.24Å; R340-D344 IonicContact CZ-OD1 3.03Å; R340-D344 IonicContact NE-OD1 2.91Å; R340-D344 IonicContact NH2-OD1 2.7Å; R340-D344 PolarHBondContact O-N 2.93Å
341	V	78.6	Confident	78.3	Confident	21 Å²	21	72.4 Å²	72.4	13%	0.127	38%	0.379	C	S	.	.	H	α-helix	trans	-65.1	-40.5	177.6	178.1	0	0	0	0	110.9	L300 F301 P304 V337 L338 S343 D344 V345	L300-V341 HydrophobicContact CD1-CG1 4.38Å; L300-V341 HydrophobicContact CD2-CB 4.42Å; L300-V341 HydrophobicContact CD2-CG1 4.34Å; L300-V341 HydrophobicContact CG-CB 4.47Å; L300-V341 HydrophobicContact CG-CG1 3.87Å; F301-V341 HydrophobicContact CD1-CG2 4.01Å; F301-V341 HydrophobicContact CE1-CG2 3.82Å; P304-V341 HydrophobicContact CG-CG1 4.33Å; V337-V341 WeakPolarHBondContact O-CG2 3.4Å; V337-V341 PolarHBondContact O-N 3.22Å; V337-V341 VanDerWaalsContact O-N 3.11Å; L338-V341 PolarHBondContact O-N 2.78Å; V341-S343 PolarHBondContact O-N 3.42Å; V341-D344 WeakPolarHBondContact O-CB 3.35Å; V341-D344 PolarHBondContact O-N 3.34Å; V341-D344 VanDerWaalsContact O-N 3.16Å; V341-V345 WeakPolarHBondContact O-CG2 3.38Å; V341-V345 PolarHBondContact O-N 3.44Å
342	Y	80.9	Confident	79.3	Confident	20 Å²	20	69.4 Å²	69.4	8%	0.078	36%	0.358	C	S	.	.	H	α-helix	trans	-62.2	-41.1	175	-176.4	-100.8	0	0	0	111.9	F330 L338 R340 D344 V345 E346	F330-Y342 HydrophobicContact CB-CD2 4.12Å; L338-Y342 VanDerWaalsContact O-CB 3.27Å; L338-Y342 WeakPolarHBondContact O-CB 3.31Å; L338-Y342 PolarHBondContact O-N 3.05Å; R340-Y342 VanDerWaalsContact C-N 3.34Å; Y342-D344 VanDerWaalsContact C-N 3.31Å; Y342-D344 PolarHBondContact O-N 3.17Å; Y342-V345 WeakPolarHBondContact O-CA 3.31Å; Y342-V345 WeakPolarHBondContact O-CB 3.47Å; Y342-V345 PolarHBondContact O-N 2.86Å; Y342-V345 VanDerWaalsContact O-N 3.09Å; Y342-E346 HydrophobicContact CD1-CG 4.25Å; Y342-E346 HydrophobicContact CE1-CG 3.84Å; Y342-E346 WeakPolarHBondContact CE1-OE1 3.3Å; Y342-E346 PolarHBondContact O-N 3.45Å; Y342-E346 PolarHBondContact OH-OE1 3.03Å
343	S	81.4	Confident	80	Confident	38 Å²	38	63.5 Å²	63.5	27%	0.266	33%	0.327	S	S	.	.	H	α-helix	trans	-60.9	-38.4	172.1	-177.9	0	0	0	0	112.4	R339 R340 V341 V345 E346 N347	R339-S343 WeakPolarHBondContact O-CB 3.29Å; R339-S343 PolarHBondContact O-N 3.4Å; R340-S343 WeakPolarHBondContact O-CB 3.33Å; R340-S343 PolarHBondContact O-N 3.24Å; V341-S343 PolarHBondContact O-N 3.42Å; S343-V345 VanDerWaalsContact C-N 3.34Å; S343-E346 PolarHBondContact O-N 3.28Å; S343-N347 WeakPolarHBondContact O-CB 3.35Å; S343-N347 VanDerWaalsContact O-CG 3.24Å; S343-N347 PolarHBondContact O-N 3.3Å; S343-N347 PolarHBondContact O-ND2 3.19Å; S343-N347 VanDerWaalsContact O-ND2 3.08Å
344	D	83.1	Confident	80.9	Confident	59 Å²	59	65.7 Å²	65.7	32%	0.316	34%	0.34	S	S	.	.	H	α-helix	trans	-66.9	-34.4	173.8	-70.2	-23.5	0	0	0	112.2	R340 V341 Y342 V348	R340-D344 IonicContact CZ-OD1 3.03Å; R340-D344 IonicContact NE-OD1 2.91Å; R340-D344 IonicContact NH2-OD1 2.7Å; R340-D344 PolarHBondContact O-N 2.93Å; V341-D344 WeakPolarHBondContact O-CB 3.35Å; V341-D344 PolarHBondContact O-N 3.34Å; V341-D344 VanDerWaalsContact O-N 3.16Å; Y342-D344 VanDerWaalsContact C-N 3.31Å; Y342-D344 PolarHBondContact O-N 3.17Å; D344-V348 WeakPolarHBondContact O-CG2 3.31Å; D344-V348 PolarHBondContact O-N 3.29Å; D344-V348 VanDerWaalsContact O-N 3.17Å
345	V	82.3	Confident	81.9	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-64.5	-49	171.8	173.3	0	0	0	0	110.6	L303 P304 I307 Y323 V341 Y342 S343 N347 V348 V349	L303-V345 HydrophobicContact CB-CG2 4.36Å; L303-V345 HydrophobicContact CD2-CG1 3.81Å; L303-V345 HydrophobicContact CD2-CG2 3.89Å; L303-V345 HydrophobicContact CG-CG1 4.26Å; L303-V345 HydrophobicContact CG-CG2 4.1Å; P304-V345 HydrophobicContact CG-CG2 3.66Å; I307-V345 HydrophobicContact CD1-CG1 3.78Å; Y323-V345 HydrophobicContact CD2-CG1 4.18Å; V341-V345 WeakPolarHBondContact O-CG2 3.38Å; V341-V345 PolarHBondContact O-N 3.44Å; Y342-V345 WeakPolarHBondContact O-CA 3.31Å; Y342-V345 WeakPolarHBondContact O-CB 3.47Å; Y342-V345 PolarHBondContact O-N 2.86Å; Y342-V345 VanDerWaalsContact O-N 3.09Å; S343-V345 VanDerWaalsContact C-N 3.34Å; V345-N347 VanDerWaalsContact C-N 3.28Å; V345-N347 PolarHBondContact O-N 3.21Å; V345-V348 PolarHBondContact O-N 2.91Å; V345-V349 HydrophobicContact CG1-CG2 4.29Å; V345-V349 VanDerWaalsContact O-CG2 3.31Å; V345-V349 WeakPolarHBondContact O-CG2 3.49Å; V345-V349 PolarHBondContact O-N 2.87Å
346	E	83.7	Confident	82.4	Confident	79 Å²	79	58.7 Å²	58.7	37%	0.369	29%	0.294	S	S	.	.	H	α-helix	trans	-57.7	-40.7	176.7	-72.1	-176.7	144	0	0	111.7	Y342 S343 V348 V349 A350	Y342-E346 HydrophobicContact CD1-CG 4.25Å; Y342-E346 HydrophobicContact CE1-CG 3.84Å; Y342-E346 WeakPolarHBondContact CE1-OE1 3.3Å; Y342-E346 PolarHBondContact O-N 3.45Å; Y342-E346 PolarHBondContact OH-OE1 3.03Å; S343-E346 PolarHBondContact O-N 3.28Å; E346-V348 VanDerWaalsContact C-N 3.34Å; E346-V348 PolarHBondContact O-N 3.27Å; E346-V349 PolarHBondContact O-N 3.5Å; E346-A350 WeakPolarHBondContact O-CB 3.22Å; E346-A350 PolarHBondContact O-N 2.91Å
347	N	86	Confident	82.8	Confident	84 Å²	84	56.7 Å²	56.7	45%	0.449	28%	0.28	S	S	.	.	H	α-helix	trans	-62.7	-37.5	175	-74.6	-37.1	0	0	0	112.9	S343 V345 K351	S343-N347 WeakPolarHBondContact O-CB 3.35Å; S343-N347 VanDerWaalsContact O-CG 3.24Å; S343-N347 PolarHBondContact O-N 3.3Å; S343-N347 PolarHBondContact O-ND2 3.19Å; S343-N347 VanDerWaalsContact O-ND2 3.08Å; V345-N347 VanDerWaalsContact C-N 3.28Å; V345-N347 PolarHBondContact O-N 3.21Å; N347-K351 WeakPolarHBondContact O-CG 3.42Å; N347-K351 PolarHBondContact O-N 3.2Å; N347-K351 VanDerWaalsContact O-N 3.17Å
348	V	84.9	Confident	83.3	Confident	11 Å²	11	59 Å²	59	7%	0.067	28%	0.282	C	S	.	.	H	α-helix	trans	-69.4	-40.9	175.3	175.9	0	0	0	0	110.6	I307 R308 I311 D344 V345 E346 K351 F352	I307-V348 HydrophobicContact CB-CG1 4.24Å; I307-V348 HydrophobicContact CG2-CG1 3.49Å; I307-V348 VanDerWaalsContact CG2-CG1 3.49Å; R308-V348 HydrophobicContact CG-CG1 4.01Å; I311-V348 HydrophobicContact CD1-CG1 4.36Å; D344-V348 WeakPolarHBondContact O-CG2 3.31Å; D344-V348 PolarHBondContact O-N 3.29Å; D344-V348 VanDerWaalsContact O-N 3.17Å; V345-V348 PolarHBondContact O-N 2.91Å; E346-V348 VanDerWaalsContact C-N 3.34Å; E346-V348 PolarHBondContact O-N 3.27Å; V348-K351 WeakPolarHBondContact O-CB 3.41Å; V348-K351 PolarHBondContact O-N 3.48Å; V348-F352 PolarHBondContact O-N 3.32Å
349	V	83.7	Confident	83.8	Confident	6 Å²	6	60.9 Å²	60.9	4%	0.036	29%	0.291	C	S	.	.	H	α-helix	trans	-68.6	-35.9	178.6	174.7	0	0	0	0	111.5	I307 Y323 V345 E346 F352 S353 L380	I307-V349 HydrophobicContact CD1-CG2 4.15Å; Y323-V349 HydrophobicContact CD1-CG1 4.17Å; Y323-V349 HydrophobicContact CD2-CB 4.32Å; Y323-V349 HydrophobicContact CD2-CG1 4.25Å; Y323-V349 HydrophobicContact CD2-CG2 3.52Å; Y323-V349 HydrophobicContact CE1-CG1 4.03Å; Y323-V349 HydrophobicContact CE2-CB 4.24Å; Y323-V349 HydrophobicContact CE2-CG1 4.1Å; Y323-V349 HydrophobicContact CE2-CG2 3.89Å; Y323-V349 HydrophobicContact CG-CG1 4.26Å; Y323-V349 HydrophobicContact CG-CG2 3.93Å; V345-V349 HydrophobicContact CG1-CG2 4.29Å; V345-V349 VanDerWaalsContact O-CG2 3.31Å; V345-V349 WeakPolarHBondContact O-CG2 3.49Å; V345-V349 PolarHBondContact O-N 2.87Å; E346-V349 PolarHBondContact O-N 3.5Å; V349-F352 WeakPolarHBondContact O-CB 3.49Å; V349-F352 PolarHBondContact O-N 2.66Å; V349-S353 PolarHBondContact O-N 3.2Å; V349-S353 PolarHBondContact O-OG 3.41Å; V349-L380 HydrophobicContact CG1-CD2 3.59Å
350	A	84.2	Confident	84	Confident	53 Å²	53	54.9 Å²	54.9	44%	0.438	27%	0.268	S	S	.	.	H	α-helix	trans	-62.4	-44	171.6	0	0	0	0	0	111.3	E346 F352 S353 V354	E346-A350 WeakPolarHBondContact O-CB 3.22Å; E346-A350 PolarHBondContact O-N 2.91Å; A350-F352 VanDerWaalsContact C-N 3.33Å; A350-F352 PolarHBondContact O-N 3.12Å; A350-S353 WeakPolarHBondContact O-CB 3.14Å; A350-S353 PolarHBondContact O-N 3.39Å; A350-V354 WeakPolarHBondContact O-CG2 3.27Å; A350-V354 PolarHBondContact O-N 3.1Å
351	K	86.8	Confident	84.2	Confident	159 Å²	159	49.7 Å²	49.7	69%	0.691	25%	0.252	S	S	*	.	H	α-helix	trans	-62.6	-39.6	173.6	-72.9	175.7	-178.1	-178.7	0	112.2	N347 V348 V354 M355	N347-K351 WeakPolarHBondContact O-CG 3.42Å; N347-K351 PolarHBondContact O-N 3.2Å; N347-K351 VanDerWaalsContact O-N 3.17Å; V348-K351 WeakPolarHBondContact O-CB 3.41Å; V348-K351 PolarHBondContact O-N 3.48Å; K351-V354 PolarHBondContact O-N 3.18Å; K351-M355 PolarHBondContact O-N 3.15Å
352	F	85.6	Confident	84.3	Confident	4 Å²	4	52 Å²	52	2%	0.018	27%	0.269	C	S	.	.	H	α-helix	trans	-62.5	-43.2	174.9	178.1	-122.1	0	0	0	111.9	I311 Y316 V319 V348 V349 A350 V354 M355 L356 L380	I311-F352 HydrophobicContact CD1-CB 3.78Å; I311-F352 HydrophobicContact CD1-CD2 3.68Å; I311-F352 HydrophobicContact CD1-CG 3.88Å; I311-F352 HydrophobicContact CG1-CD2 3.58Å; I311-F352 HydrophobicContact CG1-CE2 3.96Å; I311-F352 HydrophobicContact CG1-CG 4.16Å; I311-F352 HydrophobicContact CG2-CD2 4.24Å; Y316-F352 AromaticContact CD1-CE2 3.36Å; Y316-F352 HydrophobicContact CD1-CE2 3.36Å; Y316-F352 AromaticContact CD1-CZ 3.39Å; Y316-F352 HydrophobicContact CD1-CZ 3.39Å; Y316-F352 AromaticContact CE1-CE2 3.57Å; Y316-F352 HydrophobicContact CE1-CE2 3.57Å; Y316-F352 HydrophobicContact CE1-CZ 4.07Å; Y316-F352 HydrophobicContact CG-CE2 4.18Å; Y316-F352 AromaticContact CG-CZ 3.8Å; Y316-F352 HydrophobicContact CG-CZ 3.8Å; V319-F352 HydrophobicContact CG1-CD1 4.09Å; V319-F352 HydrophobicContact CG1-CE1 4.02Å; V348-F352 PolarHBondContact O-N 3.32Å; V349-F352 WeakPolarHBondContact O-CB 3.49Å; V349-F352 PolarHBondContact O-N 2.66Å; A350-F352 VanDerWaalsContact C-N 3.33Å; A350-F352 PolarHBondContact O-N 3.12Å; F352-V354 VanDerWaalsContact C-N 3.34Å; F352-V354 PolarHBondContact O-N 3.28Å; F352-M355 HydrophobicContact CD2-CE 3.73Å; F352-M355 HydrophobicContact CE2-CE 3.71Å; F352-M355 WeakPolarHBondContact O-CB 3.11Å; F352-M355 PolarHBondContact O-N 2.9Å; F352-M355 VanDerWaalsContact O-N 3.12Å; F352-L356 HydrophobicContact CD1-CD1 4.16Å; F352-L356 HydrophobicContact CD2-CG 4.32Å; F352-L356 HydrophobicContact CE1-CD1 3.57Å; F352-L356 HydrophobicContact CE1-CG 4.26Å; F352-L356 HydrophobicContact CE2-CD1 4.07Å; F352-L356 HydrophobicContact CE2-CD2 4Å; F352-L356 HydrophobicContact CE2-CG 3.85Å; F352-L356 HydrophobicContact CZ-CD1 3.52Å; F352-L356 HydrophobicContact CZ-CD2 4.02Å; F352-L356 HydrophobicContact CZ-CG 3.83Å; F352-L356 PolarHBondContact O-N 3.31Å; F352-L380 HydrophobicContact CD1-CD1 4.15Å; F352-L380 HydrophobicContact CE1-CD1 4.28Å
353	S	85.2	Confident	84.3	Confident	20 Å²	20	52 Å²	52	14%	0.14	27%	0.27	C	S	.	.	H	α-helix	trans	-60.3	-43	175.8	-53.9	0	0	0	0	111.7	V349 A350 M355 L356 R357	V349-S353 PolarHBondContact O-N 3.2Å; V349-S353 PolarHBondContact O-OG 3.41Å; A350-S353 WeakPolarHBondContact O-CB 3.14Å; A350-S353 PolarHBondContact O-N 3.39Å; S353-M355 VanDerWaalsContact C-N 3.35Å; S353-M355 PolarHBondContact O-N 3.31Å; S353-L356 PolarHBondContact O-N 2.93Å; S353-R357 WeakPolarHBondContact O-CB 3.4Å; S353-R357 PolarHBondContact O-N 3.19Å
354	V	86.4	Confident	84	Confident	78 Å²	78	53.6 Å²	53.6	47%	0.473	28%	0.279	S	S	.	.	H	α-helix	trans	-64.1	-39.1	174.4	173	0	0	0	0	111.8	A350 K351 F352 R357 K358	A350-V354 WeakPolarHBondContact O-CG2 3.27Å; A350-V354 PolarHBondContact O-N 3.1Å; K351-V354 PolarHBondContact O-N 3.18Å; F352-V354 VanDerWaalsContact C-N 3.34Å; F352-V354 PolarHBondContact O-N 3.28Å; V354-R357 PolarHBondContact O-N 2.81Å; V354-K358 HydrophobicContact CG1-CD 4.49Å; V354-K358 WeakPolarHBondContact O-CG 3.43Å; V354-K358 PolarHBondContact O-N 3.49Å
355	M	87.2	Confident	83.5	Confident	56 Å²	56	51.3 Å²	51.3	28%	0.276	27%	0.267	S	S	.	.	H	α-helix	trans	-63.8	-48.3	176.6	-173.1	-167.2	80	0	0	111.5	I311 Y316 K351 F352 S353 R357 K358 Q359	I311-M355 HydrophobicContact CG2-CE 3.88Å; I311-M355 HydrophobicContact CG2-SD 3.92Å; Y316-M355 HydrophobicContact CE1-CE 3.93Å; K351-M355 PolarHBondContact O-N 3.15Å; F352-M355 HydrophobicContact CD2-CE 3.73Å; F352-M355 HydrophobicContact CE2-CE 3.71Å; F352-M355 WeakPolarHBondContact O-CB 3.11Å; F352-M355 PolarHBondContact O-N 2.9Å; F352-M355 VanDerWaalsContact O-N 3.12Å; S353-M355 VanDerWaalsContact C-N 3.35Å; S353-M355 PolarHBondContact O-N 3.31Å; M355-R357 VanDerWaalsContact C-N 3.32Å; M355-R357 PolarHBondContact O-N 3.28Å; M355-K358 PolarHBondContact O-N 3.25Å; M355-Q359 WeakPolarHBondContact O-CG 3.43Å; M355-Q359 PolarHBondContact O-N 2.9Å
356	L	85.4	Confident	83.5	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-60.1	-42.2	175.8	-72.5	-179.6	0	0	0	111.5	Y316 F352 S353 K358 Q359 L360 K373 L377 L380	Y316-L356 HydrophobicContact CD2-CD2 4.24Å; Y316-L356 HydrophobicContact CE2-CD2 4.03Å; F352-L356 HydrophobicContact CD1-CD1 4.16Å; F352-L356 HydrophobicContact CD2-CG 4.32Å; F352-L356 HydrophobicContact CE1-CD1 3.57Å; F352-L356 HydrophobicContact CE1-CG 4.26Å; F352-L356 HydrophobicContact CE2-CD1 4.07Å; F352-L356 HydrophobicContact CE2-CD2 4Å; F352-L356 HydrophobicContact CE2-CG 3.85Å; F352-L356 HydrophobicContact CZ-CD1 3.52Å; F352-L356 HydrophobicContact CZ-CD2 4.02Å; F352-L356 HydrophobicContact CZ-CG 3.83Å; F352-L356 PolarHBondContact O-N 3.31Å; S353-L356 PolarHBondContact O-N 2.93Å; L356-K358 PolarHBondContact O-N 3.01Å; L356-Q359 CarbonylContact O-C 3.59Å; L356-Q359 PolarHBondContact O-N 2.67Å; L356-L360 WeakPolarHBondContact O-CB 3.48Å; L356-L360 PolarHBondContact O-N 3.28Å; L356-K373 HydrophobicContact CD2-CG 4.44Å; L356-L377 HydrophobicContact CB-CD1 4.41Å; L356-L377 HydrophobicContact CB-CD2 3.91Å; L356-L377 HydrophobicContact CB-CG 4.18Å; L356-L377 HydrophobicContact CD1-CD2 4.2Å; L356-L377 HydrophobicContact CD1-CG 4.35Å; L356-L380 HydrophobicContact CD1-CD1 4.42Å
357	R	84.6	Confident	83.2	Confident	101 Å²	101	52 Å²	52	38%	0.381	27%	0.273	S	S	.	.	H	α-helix	trans	-58.5	-47.4	174.3	-174.2	-171.3	175.8	-153.9	-5.1	111.5	S353 V354 M355 Q359 L360 I361 Y384 L389	S353-R357 WeakPolarHBondContact O-CB 3.4Å; S353-R357 PolarHBondContact O-N 3.19Å; V354-R357 PolarHBondContact O-N 2.81Å; M355-R357 VanDerWaalsContact C-N 3.32Å; M355-R357 PolarHBondContact O-N 3.28Å; R357-Q359 VanDerWaalsContact C-N 3.32Å; R357-Q359 PolarHBondContact O-N 2.85Å; R357-L360 PolarHBondContact O-N 3.03Å; R357-L360 VanDerWaalsContact O-N 3.15Å; R357-I361 HydrophobicContact CG-CD1 3.84Å; R357-I361 VanDerWaalsContact O-CG1 3.24Å; R357-I361 WeakPolarHBondContact O-CG1 3.24Å; R357-I361 PolarHBondContact O-N 3.47Å; R357-Y384 VanDerWaalsContact CD-OH 3.31Å; R357-Y384 WeakPolarHBondContact CD-OH 3.32Å; R357-Y384 WeakPolarHBondContact CG-OH 3.33Å; R357-L389 HydrophobicContact CG-CD2 4.15Å
358	K	86.7	Confident	83	Confident	147 Å²	147	51.7 Å²	51.7	64%	0.639	27%	0.272	S	S	*	.	H	α-helix	trans	-61.3	-41	177.5	-74.6	-179.5	179	-174.1	0	112.1	V354 M355 L356 L360 I361 S362	V354-K358 HydrophobicContact CG1-CD 4.49Å; V354-K358 WeakPolarHBondContact O-CG 3.43Å; V354-K358 PolarHBondContact O-N 3.49Å; M355-K358 PolarHBondContact O-N 3.25Å; L356-K358 PolarHBondContact O-N 3.01Å; K358-L360 VanDerWaalsContact C-N 3.29Å; K358-L360 PolarHBondContact O-N 2.92Å; K358-I361 PolarHBondContact O-N 3.16Å; K358-S362 PolarHBondContact O-N 3.15Å
359	Q	84.9	Confident	82.9	Confident	56 Å²	56	54.4 Å²	54.4	26%	0.262	29%	0.286	S	S	.	.	H	α-helix	trans	-69.6	-24.1	175.7	-71.3	-178.3	0.5	0	0	113.6	Y316 M355 L356 R357 S362 I365	Y316-Q359 PolarHBondContact OH-OE1 2.96Å; M355-Q359 WeakPolarHBondContact O-CG 3.43Å; M355-Q359 PolarHBondContact O-N 2.9Å; L356-Q359 CarbonylContact O-C 3.59Å; L356-Q359 PolarHBondContact O-N 2.67Å; R357-Q359 VanDerWaalsContact C-N 3.32Å; R357-Q359 PolarHBondContact O-N 2.85Å; Q359-S362 WeakPolarHBondContact CA-OG 3.47Å; Q359-S362 PolarHBondContact O-OG 3.17Å; Q359-I365 VanDerWaalsContact O-CD1 3.24Å; Q359-I365 WeakPolarHBondContact O-CD1 3.39Å
360	L	82.6	Confident	82.9	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-82.2	-22.6	174.9	-170	64.2	0	0	0	112.3	L356 R357 K358 M363 I365 A370 K373 I374 L377 P386 C390	L356-L360 WeakPolarHBondContact O-CB 3.48Å; L356-L360 PolarHBondContact O-N 3.28Å; R357-L360 PolarHBondContact O-N 3.03Å; R357-L360 VanDerWaalsContact O-N 3.15Å; K358-L360 VanDerWaalsContact C-N 3.29Å; K358-L360 PolarHBondContact O-N 2.92Å; L360-M363 WeakPolarHBondContact O-CE 3.43Å; L360-I365 VanDerWaalsContact C-CD1 3.44Å; L360-I365 HydrophobicContact CD1-CD1 4.34Å; L360-I365 WeakPolarHBondContact O-CD1 3.46Å; L360-A370 HydrophobicContact CD1-CB 4.32Å; L360-K373 HydrophobicContact CD1-CB 4.34Å; L360-I374 HydrophobicContact CD1-CD1 4.5Å; L360-I374 HydrophobicContact CD1-CG1 4.15Å; L360-I374 HydrophobicContact CD2-CG1 3.97Å; L360-L377 HydrophobicContact CD2-CD1 3.92Å; L360-P386 HydrophobicContact CD2-CB 4.26Å; L360-C390 HydrophobicContact CD1-CB 4.02Å; L360-C390 HydrophobicContact CD2-CB 4.11Å; L360-C390 HydrophobicContact CG-CB 3.97Å
361	I	84.4	Confident	82.8	Confident	50 Å²	50	55 Å²	55	26%	0.256	28%	0.276	S	S	.	.	H	α-helix	trans	-87.4	-25.4	175.8	-63.8	167	0	0	0	111	R357 K358 M363 Y393	R357-I361 HydrophobicContact CG-CD1 3.84Å; R357-I361 VanDerWaalsContact O-CG1 3.24Å; R357-I361 WeakPolarHBondContact O-CG1 3.24Å; R357-I361 PolarHBondContact O-N 3.47Å; K358-I361 PolarHBondContact O-N 3.16Å; I361-M363 PolarHBondContact O-N 3.06Å; I361-Y393 HydrophobicContact CB-CD2 4.44Å; I361-Y393 HydrophobicContact CD1-CD2 4.45Å; I361-Y393 HydrophobicContact CD1-CE2 3.87Å; I361-Y393 HydrophobicContact CG1-CD2 3.77Å; I361-Y393 HydrophobicContact CG1-CE2 3.71Å; I361-Y393 HydrophobicContact CG1-CG 4.42Å; I361-Y393 HydrophobicContact CG2-CD1 3.92Å; I361-Y393 HydrophobicContact CG2-CD2 4.16Å; I361-Y393 HydrophobicContact CG2-CE1 3.98Å; I361-Y393 HydrophobicContact CG2-CE2 4.19Å; I361-Y393 HydrophobicContact CG2-CG 4.02Å
362	S	79.9	Confident	82.7	Confident	69 Å²	69	52.7 Å²	52.7	48%	0.483	27%	0.267	S	S	.	.	S	Bend	trans	-72.6	95.5	178.6	59.5	0	0	0	0	111.6	K358 Q359 I365	K358-S362 PolarHBondContact O-N 3.15Å; Q359-S362 WeakPolarHBondContact CA-OG 3.47Å; Q359-S362 PolarHBondContact O-OG 3.17Å; S362-I365 WeakPolarHBondContact O-CD1 3.12Å; S362-I365 WeakPolarHBondContact O-CG1 3.48Å
363	M	81.6	Confident	82.6	Confident	21 Å²	21	53.3 Å²	53.3	10%	0.103	27%	0.27	C	S	.	.	S	Bend	trans	-85.4	147.9	176.7	-66.9	-63.9	155.9	0	0	111.9	L360 I361 I365 F394 W397	L360-M363 WeakPolarHBondContact O-CE 3.43Å; I361-M363 PolarHBondContact O-N 3.06Å; M363-I365 HydrophobicContact CE-CD1 3.78Å; M363-I365 HydrophobicContact CE-CG1 4.28Å; M363-I365 HydrophobicContact SD-CB 4.4Å; M363-I365 HydrophobicContact SD-CD1 4.11Å; M363-I365 HydrophobicContact SD-CG1 3.95Å; M363-F394 HydrophobicContact CE-CB 4.13Å; M363-F394 HydrophobicContact CE-CD1 4.44Å; M363-F394 HydrophobicContact SD-CB 4.27Å; M363-F394 HydrophobicContact SD-CD1 4.06Å; M363-F394 HydrophobicContact SD-CG 4.19Å; M363-W397 HydrophobicContact CB-CB 3.89Å; M363-W397 HydrophobicContact CB-CD2 3.86Å; M363-W397 HydrophobicContact CB-CG 3.4Å; M363-W397 VanDerWaalsContact CB-CG 3.4Å; M363-W397 HydrophobicContact CG-CB 3.92Å; M363-W397 HydrophobicContact CG-CG 4Å
364	P	74.1	Confident	82.4	Confident	70 Å²	70	52.5 Å²	52.5	46%	0.455	26%	0.264	S	S	.	.	S	Bend	cis	-82.1	151.4	3	32.7	-35	0	0	0	113.8	W397	P364-W397 HydrophobicContact CB-CH2 4.22Å; P364-W397 HydrophobicContact CB-CZ2 4.05Å; P364-W397 HydrophobicContact CG-CZ2 4.36Å
365	I	74.2	Confident	82.2	Confident	11 Å²	11	49.8 Å²	49.8	6%	0.056	25%	0.252	C	S	.	.			trans	-129.1	139.3	178.7	-53.2	176.8	0	0	0	109.2	Q359 L360 S362 M363 D369 A370 Q478	Q359-I365 VanDerWaalsContact O-CD1 3.24Å; Q359-I365 WeakPolarHBondContact O-CD1 3.39Å; L360-I365 VanDerWaalsContact C-CD1 3.44Å; L360-I365 HydrophobicContact CD1-CD1 4.34Å; L360-I365 WeakPolarHBondContact O-CD1 3.46Å; S362-I365 WeakPolarHBondContact O-CD1 3.12Å; S362-I365 WeakPolarHBondContact O-CG1 3.48Å; M363-I365 HydrophobicContact CE-CD1 3.78Å; M363-I365 HydrophobicContact CE-CG1 4.28Å; M363-I365 HydrophobicContact SD-CB 4.4Å; M363-I365 HydrophobicContact SD-CD1 4.11Å; M363-I365 HydrophobicContact SD-CG1 3.95Å; I365-D369 HydrophobicContact CG2-CB 4.34Å; I365-A370 HydrophobicContact CG2-CB 3.87Å; I365-Q478 PolarHBondContact O-OE1 2.84Å
366	D	81.8	Confident	82	Confident	93 Å²	93	48.2 Å²	48.2	50%	0.497	24%	0.243	S	C	.	.			trans	-67.9	143.8	171.9	-167.8	-64.9	0	0	0	111.1	D368 D369 A370	D366-D368 VanDerWaalsContact C-N 3.26Å; D366-D368 PolarHBondContact O-N 3.46Å; D366-D368 PolarHBondContact OD1-N 3.25Å; D366-D369 HydrophobicContact CB-CB 4.25Å; D366-D369 PolarHBondContact O-N 2.89Å; D366-A370 WeakPolarHBondContact O-CB 3.45Å; D366-A370 PolarHBondContact O-N 3.36Å
367	C	77.2	Confident	81.8	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.007	24%	0.243	C	C	.	.	H	α-helix	trans	-52	-42.6	177.6	-70.9	0	0	0	0	113.3	R371 Q478 L482	C367-R371 WeakPolarHBondContact O-CB 3.31Å; C367-R371 WeakPolarHBondContact O-CD 3.39Å; C367-R371 WeakPolarHBondContact O-CG 3.4Å; C367-R371 PolarHBondContact O-N 3.5Å; C367-Q478 VanDerWaalsContact SG-CA 3.58Å; C367-Q478 VanDerWaalsContact SG-CB 3.5Å; C367-Q478 PolarHBondContact SG-O 3.24Å; C367-L482 HydrophobicContact CB-CD2 4.45Å
368	D	81	Confident	81.6	Confident	78 Å²	78	45.2 Å²	45.2	42%	0.417	24%	0.236	S	C	.	.	H	α-helix	trans	-76.7	-37.6	-174.4	-67.9	-33.6	0	0	0	111.4	D366 R371 H372	D366-D368 VanDerWaalsContact C-N 3.26Å; D366-D368 PolarHBondContact O-N 3.46Å; D366-D368 PolarHBondContact OD1-N 3.25Å; D368-R371 WeakPolarHBondContact O-CB 3.44Å; D368-R371 PolarHBondContact O-N 3.1Å; D368-R371 IonicContact OD1-NH1 2.77Å; D368-H372 PolarHBondContact O-CD2 3.3Å; D368-H372 PolarHBondContact O-N 3.18Å
369	D	83.9	Confident	81.3	Confident	67 Å²	67	42.7 Å²	42.7	36%	0.358	23%	0.227	S	C	.	.	H	α-helix	trans	-66	-41.5	173.6	-174.9	36.2	0	0	0	111.6	I365 D366 R371 H372 K373	I365-D369 HydrophobicContact CG2-CB 4.34Å; D366-D369 HydrophobicContact CB-CB 4.25Å; D366-D369 PolarHBondContact O-N 2.89Å; D369-R371 PolarHBondContact O-N 3.39Å; D369-H372 PolarHBondContact O-N 3.3Å; D369-K373 WeakPolarHBondContact O-CB 3.19Å; D369-K373 WeakPolarHBondContact O-CG 3.32Å; D369-K373 PolarHBondContact O-N 3.08Å; D369-K373 WeakPolarHBondContact OD1-CE 3.45Å; D369-K373 IonicContact OD1-NZ 3.4Å; D369-K373 PolarHBondContact OD1-NZ 3.13Å; D369-K373 WeakPolarHBondContact OD2-CE 3.36Å; D369-K373 IonicContact OD2-NZ 3.29Å; D369-K373 PolarHBondContact OD2-NZ 2.86Å
370	A	84	Confident	81	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-59.5	-45.3	172.5	0	0	0	0	0	111.5	L360 I365 D366 H372 K373 I374 L482	L360-A370 HydrophobicContact CD1-CB 4.32Å; I365-A370 HydrophobicContact CG2-CB 3.87Å; D366-A370 WeakPolarHBondContact O-CB 3.45Å; D366-A370 PolarHBondContact O-N 3.36Å; A370-H372 PolarHBondContact O-N 3.24Å; A370-K373 PolarHBondContact O-N 2.6Å; A370-I374 WeakPolarHBondContact O-CB 3.16Å; A370-I374 WeakPolarHBondContact O-CD1 3.41Å; A370-I374 WeakPolarHBondContact O-CG1 3.4Å; A370-I374 PolarHBondContact O-N 3Å; A370-L482 HydrophobicContact CB-CD1 4.4Å; A370-L482 HydrophobicContact CB-CD2 3.98Å
371	R	82.2	Confident	80.6	Confident	73 Å²	73	45.9 Å²	45.9	28%	0.275	24%	0.242	S	C	.	.	H	α-helix	trans	-59.4	-46.7	176.9	-77.3	165.6	175.9	-170.4	-4.5	112.3	C367 D368 D369 I374 G375 L482 L491	C367-R371 WeakPolarHBondContact O-CB 3.31Å; C367-R371 WeakPolarHBondContact O-CD 3.39Å; C367-R371 WeakPolarHBondContact O-CG 3.4Å; C367-R371 PolarHBondContact O-N 3.5Å; D368-R371 WeakPolarHBondContact O-CB 3.44Å; D368-R371 PolarHBondContact O-N 3.1Å; D368-R371 IonicContact OD1-NH1 2.77Å; D369-R371 PolarHBondContact O-N 3.39Å; R371-I374 PolarHBondContact O-N 3.47Å; R371-G375 PolarHBondContact O-N 3.13Å; R371-L482 HydrophobicContact CG-CD2 4.46Å; R371-L491 HydrophobicContact CG-CD2 4.05Å
372	H	83.5	Confident	80.2	Confident	110 Å²	110	44.5 Å²	44.5	51%	0.509	24%	0.236	S	C	.	.	H	α-helix	trans	-62.4	-45.8	177.9	-72.4	-55.4	0	0	0	111.9	D368 D369 A370 G375 Y376	D368-H372 PolarHBondContact O-CD2 3.3Å; D368-H372 PolarHBondContact O-N 3.18Å; D369-H372 PolarHBondContact O-N 3.3Å; A370-H372 PolarHBondContact O-N 3.24Å; H372-G375 WeakPolarHBondContact O-CA 3.2Å; H372-G375 PolarHBondContact O-N 2.93Å; H372-Y376 HydrophobicContact CB-CE2 4Å; H372-Y376 WeakPolarHBondContact O-CD2 3.4Å; H372-Y376 WeakPolarHBondContact O-CE2 3.43Å; H372-Y376 VanDerWaalsContact O-CG 3.26Å; H372-Y376 PolarHBondContact O-N 3.45Å
373	K	83.3	Confident	80	Confident	16 Å²	16	48.2 Å²	48.2	7%	0.07	25%	0.25	C	S	.	.	H	α-helix	trans	-64	-41.9	178.1	-71.8	169.1	176.1	166	0	112.8	L356 L360 D369 A370 G375 Y376 L377	L356-K373 HydrophobicContact CD2-CG 4.44Å; L360-K373 HydrophobicContact CD1-CB 4.34Å; D369-K373 WeakPolarHBondContact O-CB 3.19Å; D369-K373 WeakPolarHBondContact O-CG 3.32Å; D369-K373 PolarHBondContact O-N 3.08Å; D369-K373 WeakPolarHBondContact OD1-CE 3.45Å; D369-K373 IonicContact OD1-NZ 3.4Å; D369-K373 PolarHBondContact OD1-NZ 3.13Å; D369-K373 WeakPolarHBondContact OD2-CE 3.36Å; D369-K373 IonicContact OD2-NZ 3.29Å; D369-K373 PolarHBondContact OD2-NZ 2.86Å; A370-K373 PolarHBondContact O-N 2.6Å; K373-G375 VanDerWaalsContact C-N 3.31Å; K373-Y376 PolarHBondContact O-N 3.5Å; K373-L377 WeakPolarHBondContact O-CG 3.5Å; K373-L377 PolarHBondContact O-N 3.12Å
374	I	81.8	Confident	79.9	Confident	3 Å²	3	50.5 Å²	50.5	2%	0.015	26%	0.258	C	S	.	.	H	α-helix	trans	-61.4	-42.4	172.9	-70.2	162.8	0	0	0	110	L360 A370 R371 Y376 L377 T378 P386 C390 L491	L360-I374 HydrophobicContact CD1-CD1 4.5Å; L360-I374 HydrophobicContact CD1-CG1 4.15Å; L360-I374 HydrophobicContact CD2-CG1 3.97Å; A370-I374 WeakPolarHBondContact O-CB 3.16Å; A370-I374 WeakPolarHBondContact O-CD1 3.41Å; A370-I374 WeakPolarHBondContact O-CG1 3.4Å; A370-I374 PolarHBondContact O-N 3Å; R371-I374 PolarHBondContact O-N 3.47Å; I374-Y376 PolarHBondContact O-N 2.9Å; I374-L377 PolarHBondContact O-N 2.97Å; I374-T378 HydrophobicContact CG2-CG2 4.28Å; I374-T378 WeakPolarHBondContact O-CB 3.34Å; I374-T378 VanDerWaalsContact O-CG2 3.31Å; I374-T378 WeakPolarHBondContact O-CG2 3.38Å; I374-T378 PolarHBondContact O-N 2.97Å; I374-T378 PolarHBondContact O-OG1 3.38Å; I374-P386 HydrophobicContact CG2-CG 4.13Å; I374-C390 HydrophobicContact CD1-CB 4.2Å; I374-L491 HydrophobicContact CB-CD2 4.24Å; I374-L491 HydrophobicContact CD1-CD1 4.2Å; I374-L491 HydrophobicContact CD1-CD2 4.14Å; I374-L491 HydrophobicContact CG2-CB 4.16Å; I374-L491 HydrophobicContact CG2-CD2 3.84Å
375	G	81.7	Confident	80.2	Confident	22 Å²	22	49 Å²	49	23%	0.227	25%	0.246	C	C	.	.	H	α-helix	trans	-59.4	-41.3	173.9	0	0	0	0	0	113.7	R371 H372 K373 T378 Q379	R371-G375 PolarHBondContact O-N 3.13Å; H372-G375 WeakPolarHBondContact O-CA 3.2Å; H372-G375 PolarHBondContact O-N 2.93Å; K373-G375 VanDerWaalsContact C-N 3.31Å; G375-T378 WeakPolarHBondContact CA-OG1 3.48Å; G375-T378 PolarHBondContact O-OG1 3.45Å; G375-Q379 WeakPolarHBondContact O-CG 3.38Å; G375-Q379 PolarHBondContact O-N 3.45Å
376	Y	83.1	Confident	80.4	Confident	23 Å²	23	48.5 Å²	48.5	9%	0.09	24%	0.244	C	C	.	.	H	α-helix	trans	-67.6	-42.6	175.9	-58	-39.8	0	0	0	112.2	Y316 N317 L320 H372 K373 I374 Q379 L380	Y316-Y376 AromaticContact CD2-CD2 3.99Å; Y316-Y376 HydrophobicContact CD2-CD2 3.99Å; Y316-Y376 AromaticContact CD2-CE2 3.68Å; Y316-Y376 HydrophobicContact CD2-CE2 3.68Å; Y316-Y376 HydrophobicContact CG-CD2 4.27Å; Y316-Y376 HydrophobicContact CG-CE2 4.11Å; N317-Y376 PolarHBondContact ND2-OH 2.99Å; N317-Y376 VanDerWaalsContact OD1-CE1 3.22Å; N317-Y376 WeakPolarHBondContact OD1-CE1 3.46Å; N317-Y376 PolarHBondContact OD1-OH 2.92Å; L320-Y376 HydrophobicContact CD2-CD1 3.78Å; H372-Y376 HydrophobicContact CB-CE2 4Å; H372-Y376 WeakPolarHBondContact O-CD2 3.4Å; H372-Y376 WeakPolarHBondContact O-CE2 3.43Å; H372-Y376 VanDerWaalsContact O-CG 3.26Å; H372-Y376 PolarHBondContact O-N 3.45Å; K373-Y376 PolarHBondContact O-N 3.5Å; I374-Y376 PolarHBondContact O-N 2.9Å; Y376-Q379 PolarHBondContact O-N 2.87Å; Y376-L380 VanDerWaalsContact O-CG 3.27Å; Y376-L380 WeakPolarHBondContact O-CG 3.18Å; Y376-L380 PolarHBondContact O-N 3.31Å
377	L	81.9	Confident	80.4	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-68.9	-36.8	179.6	-72.4	171.4	0	0	0	112.8	L356 L360 K373 I374 L380 V382 P386	L356-L377 HydrophobicContact CB-CD1 4.41Å; L356-L377 HydrophobicContact CB-CD2 3.91Å; L356-L377 HydrophobicContact CB-CG 4.18Å; L356-L377 HydrophobicContact CD1-CD2 4.2Å; L356-L377 HydrophobicContact CD1-CG 4.35Å; L360-L377 HydrophobicContact CD2-CD1 3.92Å; K373-L377 WeakPolarHBondContact O-CG 3.5Å; K373-L377 PolarHBondContact O-N 3.12Å; I374-L377 PolarHBondContact O-N 2.97Å; L377-L380 PolarHBondContact O-N 3Å; L377-V382 HydrophobicContact CD2-CG2 4.19Å; L377-V382 WeakPolarHBondContact O-CG2 3.18Å; L377-P386 HydrophobicContact CB-CB 3.97Å; L377-P386 HydrophobicContact CB-CG 4.07Å; L377-P386 HydrophobicContact CD1-CB 3.89Å
378	T	81.1	Confident	80.7	Confident	38 Å²	38	47.6 Å²	47.6	23%	0.233	23%	0.233	C	C	.	.	H	α-helix	trans	-65.1	-41.2	176.1	47.6	0	0	0	0	111.8	I374 G375 L380 E381 P386 Y493	I374-T378 HydrophobicContact CG2-CG2 4.28Å; I374-T378 WeakPolarHBondContact O-CB 3.34Å; I374-T378 VanDerWaalsContact O-CG2 3.31Å; I374-T378 WeakPolarHBondContact O-CG2 3.38Å; I374-T378 PolarHBondContact O-N 2.97Å; I374-T378 PolarHBondContact O-OG1 3.38Å; G375-T378 WeakPolarHBondContact CA-OG1 3.48Å; G375-T378 PolarHBondContact O-OG1 3.45Å; T378-L380 VanDerWaalsContact C-N 3.28Å; T378-L380 PolarHBondContact O-N 2.92Å; T378-E381 PolarHBondContact O-N 3.43Å; T378-E381 VanDerWaalsContact O-N 3.15Å; T378-P386 HydrophobicContact CG2-CG 3.77Å; T378-Y493 HydrophobicContact CG2-CD2 4.47Å
379	Q	80	Confident	80.9	Confident	93 Å²	93	45.4 Å²	45.4	44%	0.435	22%	0.222	S	C	.	.	H	α-helix	trans	-68.7	-23.8	175.2	-71.8	-177.7	43.7	0	0	113.9	L320 G375 Y376 E381	L320-Q379 HydrophobicContact CD1-CB 3.99Å; L320-Q379 HydrophobicContact CD2-CB 3.79Å; L320-Q379 VanDerWaalsContact CD2-CD 3.49Å; L320-Q379 HydrophobicContact CD2-CG 4.22Å; L320-Q379 HydrophobicContact CG-CB 4.31Å; G375-Q379 WeakPolarHBondContact O-CG 3.38Å; G375-Q379 PolarHBondContact O-N 3.45Å; Y376-Q379 PolarHBondContact O-N 2.87Å; Q379-E381 PolarHBondContact O-N 3.03Å
380	L	78.9	Confident	81	Confident	20 Å²	20	42.4 Å²	42.4	11%	0.105	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	1.6	173.4	-70.3	170	0	0	0	113.2	L320 Y323 V349 F352 L356 Y376 L377 T378 V382	L320-L380 HydrophobicContact CD1-CD2 3.8Å; L320-L380 HydrophobicContact CD1-CG 4.04Å; Y323-L380 HydrophobicContact CD1-CD2 3.75Å; Y323-L380 HydrophobicContact CE1-CD2 3.85Å; V349-L380 HydrophobicContact CG1-CD2 3.59Å; F352-L380 HydrophobicContact CD1-CD1 4.15Å; F352-L380 HydrophobicContact CE1-CD1 4.28Å; L356-L380 HydrophobicContact CD1-CD1 4.42Å; Y376-L380 VanDerWaalsContact O-CG 3.27Å; Y376-L380 WeakPolarHBondContact O-CG 3.18Å; Y376-L380 PolarHBondContact O-N 3.31Å; L377-L380 PolarHBondContact O-N 3Å; T378-L380 VanDerWaalsContact C-N 3.28Å; T378-L380 PolarHBondContact O-N 2.92Å; L380-V382 HydrophobicContact CB-CG2 4.22Å; L380-V382 PolarHBondContact O-N 3.36Å
381	E	73.9	Confident	81.1	Confident	105 Å²	105	42.6 Å²	42.6	49%	0.491	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	43.7	176.6	-64.8	170.8	-164	0	0	113.5	K327 T378 Q379	K327-E381 IonicContact NZ-OE1 2.67Å; K327-E381 PolarHBondContact NZ-OE1 3.47Å; K327-E381 IonicContact NZ-OE2 3.64Å; K327-E381 PolarHBondContact NZ-OE2 3.4Å; T378-E381 PolarHBondContact O-N 3.43Å; T378-E381 VanDerWaalsContact O-N 3.15Å; Q379-E381 PolarHBondContact O-N 3.03Å
382	V	75.4	Confident	81.3	Confident	21 Å²	21	41.3 Å²	41.3	13%	0.127	21%	0.207	C	C	.	.			trans	-67.4	150	-179	-176.2	0	0	0	0	112.1	L377 L380 Y384 Y493	L377-V382 HydrophobicContact CD2-CG2 4.19Å; L377-V382 WeakPolarHBondContact O-CG2 3.18Å; L380-V382 HydrophobicContact CB-CG2 4.22Å; L380-V382 PolarHBondContact O-N 3.36Å; V382-Y384 HydrophobicContact CG1-CD1 3.44Å; V382-Y384 VanDerWaalsContact CG1-CD1 3.44Å; V382-Y384 HydrophobicContact CG1-CD2 4.29Å; V382-Y384 HydrophobicContact CG1-CE1 3.11Å; V382-Y384 HydrophobicContact CG1-CE2 3.99Å; V382-Y384 HydrophobicContact CG1-CG 4.02Å; V382-Y384 PolarHBondContact O-N 3.4Å; V382-Y493 WeakPolarHBondContact O-CE2 3.38Å; V382-Y493 PolarHBondContact O-OH 2.86Å
383	D	76.4	Confident	81.4	Confident	147 Å²	147	40.1 Å²	40.1	79%	0.786	20%	0.199	S	C	*	.	S	Bend	trans	-70.2	-8.5	-174.5	-59.5	-43.3	0	0	0	115.9
384	Y	77.9	Confident	81.7	Confident	70 Å²	70	39.4 Å²	39.4	28%	0.275	20%	0.196	S	C	.	.	S	Bend	trans	-126	160.3	-177.2	60.4	-100.5	0	0	0	110.5	R357 V382 P386 L389	R357-Y384 VanDerWaalsContact CD-OH 3.31Å; R357-Y384 WeakPolarHBondContact CD-OH 3.32Å; R357-Y384 WeakPolarHBondContact CG-OH 3.33Å; V382-Y384 HydrophobicContact CG1-CD1 3.44Å; V382-Y384 VanDerWaalsContact CG1-CD1 3.44Å; V382-Y384 HydrophobicContact CG1-CD2 4.29Å; V382-Y384 HydrophobicContact CG1-CE1 3.11Å; V382-Y384 HydrophobicContact CG1-CE2 3.99Å; V382-Y384 HydrophobicContact CG1-CG 4.02Å; V382-Y384 PolarHBondContact O-N 3.4Å; Y384-P386 HydrophobicContact CE2-CB 4.32Å; Y384-P386 WeakPolarHBondContact O-CD 3.44Å; Y384-L389 HydrophobicContact CD2-CD2 4.13Å; Y384-L389 HydrophobicContact CE2-CD2 3.77Å
385	D	81.2	Confident	82	Confident	37 Å²	37	40.7 Å²	40.7	20%	0.198	20%	0.201	C	C	.	.			trans	-78	109.1	174.2	-177.9	-11.2	0	0	0	110.8	G387 W388 L389 Y486	D385-G387 VanDerWaalsContact C-N 3.33Å; D385-G387 WeakPolarHBondContact OD1-CA 3.46Å; D385-G387 PolarHBondContact OD1-N 2.73Å; D385-W388 HydrophobicContact CB-CB 3.99Å; D385-W388 PolarHBondContact OD1-N 2.88Å; D385-W388 VanDerWaalsContact OD1-N 3.13Å; D385-W388 WeakPolarHBondContact OD2-CB 3.39Å; D385-L389 WeakPolarHBondContact O-CB 3.45Å; D385-L389 PolarHBondContact O-N 3.44Å; D385-L389 VanDerWaalsContact O-N 3.13Å; D385-Y486 WeakPolarHBondContact OD2-CE2 3.39Å; D385-Y486 VanDerWaalsContact OD2-CZ 3.31Å; D385-Y486 PolarHBondContact OD2-OH 3.23Å
386	P	78.4	Confident	82.3	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-70.3	-28.8	179.5	29.5	-34.6	0	0	0	113	L360 I374 L377 T378 Y384 C390	L360-P386 HydrophobicContact CD2-CB 4.26Å; I374-P386 HydrophobicContact CG2-CG 4.13Å; L377-P386 HydrophobicContact CB-CB 3.97Å; L377-P386 HydrophobicContact CB-CG 4.07Å; L377-P386 HydrophobicContact CD1-CB 3.89Å; T378-P386 HydrophobicContact CG2-CG 3.77Å; Y384-P386 HydrophobicContact CE2-CB 4.32Å; Y384-P386 WeakPolarHBondContact O-CD 3.44Å; P386-C390 WeakPolarHBondContact O-CB 3.46Å; P386-C390 PolarHBondContact O-N 3.47Å; P386-C390 VanDerWaalsContact O-N 3.07Å
387	G	81.1	Confident	82.7	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-67.9	-48.2	178.3	0	0	0	0	0	111	D385 L389 C390 L391	D385-G387 VanDerWaalsContact C-N 3.33Å; D385-G387 WeakPolarHBondContact OD1-CA 3.46Å; D385-G387 PolarHBondContact OD1-N 2.73Å; G387-L389 VanDerWaalsContact C-N 3.35Å; G387-L389 PolarHBondContact O-N 3.32Å; G387-C390 PolarHBondContact O-N 3.32Å; G387-L391 PolarHBondContact O-N 3.26Å; G387-L391 VanDerWaalsContact O-N 3.14Å
388	W	83.4	Confident	83.1	Confident	75 Å²	75	42.8 Å²	42.8	28%	0.284	21%	0.207	S	C	.	.	H	α-helix	trans	-64.1	-39.2	175.9	-172.6	-111.1	0	0	0	112.9	D385 C390 L391 T392 Y486 A514 I518	D385-W388 HydrophobicContact CB-CB 3.99Å; D385-W388 PolarHBondContact OD1-N 2.88Å; D385-W388 VanDerWaalsContact OD1-N 3.13Å; D385-W388 WeakPolarHBondContact OD2-CB 3.39Å; W388-C390 VanDerWaalsContact C-N 3.34Å; W388-C390 PolarHBondContact O-N 3.02Å; W388-L391 HydrophobicContact CE3-CD1 4.25Å; W388-L391 HydrophobicContact CZ3-CD1 4.5Å; W388-L391 PolarHBondContact O-N 3.48Å; W388-T392 PolarHBondContact O-N 2.87Å; W388-T392 PolarHBondContact O-OG1 2.91Å; W388-Y486 HydrophobicContact CB-CE2 4.24Å; W388-Y486 HydrophobicContact CE3-CD1 4.44Å; W388-Y486 AromaticContact CE3-CE1 3.76Å; W388-Y486 HydrophobicContact CE3-CE1 3.76Å; W388-Y486 AromaticContact CE3-CZ 3.97Å; W388-Y486 HydrophobicContact CZ3-CE1 4.28Å; W388-A514 HydrophobicContact CH2-CB 3.64Å; W388-A514 HydrophobicContact CZ2-CB 4.16Å; W388-A514 HydrophobicContact CZ3-CB 4.1Å; W388-I518 HydrophobicContact CH2-CD1 4.01Å; W388-I518 HydrophobicContact CH2-CG1 4.3Å; W388-I518 HydrophobicContact CH2-CG2 3.61Å; W388-I518 HydrophobicContact CZ2-CG2 3.98Å; W388-I518 HydrophobicContact CZ3-CD1 4.07Å
389	L	85.5	Confident	83.4	Confident	33 Å²	33	42 Å²	42	17%	0.173	20%	0.201	C	C	.	.	H	α-helix	trans	-58.8	-46.5	175.7	-169.9	68.7	0	0	0	111.2	R357 Y384 D385 G387 T392 Y393	R357-L389 HydrophobicContact CG-CD2 4.15Å; Y384-L389 HydrophobicContact CD2-CD2 4.13Å; Y384-L389 HydrophobicContact CE2-CD2 3.77Å; D385-L389 WeakPolarHBondContact O-CB 3.45Å; D385-L389 PolarHBondContact O-N 3.44Å; D385-L389 VanDerWaalsContact O-N 3.13Å; G387-L389 VanDerWaalsContact C-N 3.35Å; G387-L389 PolarHBondContact O-N 3.32Å; L389-T392 PolarHBondContact O-N 3.15Å; L389-Y393 HydrophobicContact CD1-CD2 3.99Å; L389-Y393 HydrophobicContact CD1-CE2 3.47Å; L389-Y393 VanDerWaalsContact CD1-CE2 3.47Å; L389-Y393 HydrophobicContact CD2-CE2 4.45Å; L389-Y393 HydrophobicContact CG-CD2 3.92Å; L389-Y393 HydrophobicContact CG-CE2 3.78Å; L389-Y393 VanDerWaalsContact O-CD2 3.23Å; L389-Y393 WeakPolarHBondContact O-CD2 3.39Å; L389-Y393 PolarHBondContact O-N 3.48Å; L389-Y393 VanDerWaalsContact O-N 3.13Å
390	C	85.7	Confident	83.8	Confident	4 Å²	4	41 Å²	41	3%	0.027	20%	0.199	C	C	.	.	H	α-helix	trans	-60.5	-46.7	178.3	-174.9	0	0	0	0	111.8	L360 I374 P386 G387 W388 T392 Y393 F394	L360-C390 HydrophobicContact CD1-CB 4.02Å; L360-C390 HydrophobicContact CD2-CB 4.11Å; L360-C390 HydrophobicContact CG-CB 3.97Å; I374-C390 HydrophobicContact CD1-CB 4.2Å; P386-C390 WeakPolarHBondContact O-CB 3.46Å; P386-C390 PolarHBondContact O-N 3.47Å; P386-C390 VanDerWaalsContact O-N 3.07Å; G387-C390 PolarHBondContact O-N 3.32Å; W388-C390 VanDerWaalsContact C-N 3.34Å; W388-C390 PolarHBondContact O-N 3.02Å; C390-T392 VanDerWaalsContact C-N 3.34Å; C390-T392 PolarHBondContact O-N 3.47Å; C390-Y393 PolarHBondContact O-N 3.26Å; C390-F394 WeakPolarHBondContact O-CB 3.37Å; C390-F394 PolarHBondContact O-N 2.62Å
391	L	86.3	Confident	84	Confident	3 Å²	3	40.3 Å²	40.3	2%	0.016	20%	0.195	C	C	.	.	H	α-helix	trans	-61.7	-41.4	178.8	-70.2	174.5	0	0	0	112.4	G387 W388 F394 K395 F479 L482 Y486 I518	G387-L391 PolarHBondContact O-N 3.26Å; G387-L391 VanDerWaalsContact O-N 3.14Å; W388-L391 HydrophobicContact CE3-CD1 4.25Å; W388-L391 HydrophobicContact CZ3-CD1 4.5Å; W388-L391 PolarHBondContact O-N 3.48Å; L391-F394 PolarHBondContact O-N 2.99Å; L391-K395 WeakPolarHBondContact O-CB 3.39Å; L391-K395 PolarHBondContact O-N 2.87Å; L391-F479 HydrophobicContact CB-CE2 4.42Å; L391-F479 HydrophobicContact CD2-CD2 4.19Å; L391-F479 HydrophobicContact CD2-CE2 3.96Å; L391-L482 HydrophobicContact CD2-CB 3.9Å; L391-Y486 HydrophobicContact CD1-CD1 3.97Å; L391-Y486 HydrophobicContact CD1-CD2 4.32Å; L391-Y486 HydrophobicContact CD1-CG 3.78Å; L391-I518 HydrophobicContact CB-CD1 4.01Å
392	T	86.2	Confident	84.6	Confident	46 Å²	46	35.4 Å²	35.4	28%	0.282	17%	0.173	S	C	.	.	H	α-helix	trans	-62.8	-49	178.9	-54.6	0	0	0	0	110.9	W388 L389 C390 F394 K395 D396	W388-T392 PolarHBondContact O-N 2.87Å; W388-T392 PolarHBondContact O-OG1 2.91Å; L389-T392 PolarHBondContact O-N 3.15Å; C390-T392 VanDerWaalsContact C-N 3.34Å; C390-T392 PolarHBondContact O-N 3.47Å; T392-F394 PolarHBondContact O-N 2.98Å; T392-K395 WeakPolarHBondContact O-CB 3.24Å; T392-K395 PolarHBondContact O-N 3.07Å; T392-D396 PolarHBondContact O-N 3.22Å
393	Y	86.6	Confident	85	Confident	85 Å²	85	40.9 Å²	40.9	33%	0.333	19%	0.191	S	C	.	.	H	α-helix	trans	-68.4	-31.3	177.5	-77.9	-68.9	0	0	0	113.6	I361 L389 C390 D396 W397	I361-Y393 HydrophobicContact CB-CD2 4.44Å; I361-Y393 HydrophobicContact CD1-CD2 4.45Å; I361-Y393 HydrophobicContact CD1-CE2 3.87Å; I361-Y393 HydrophobicContact CG1-CD2 3.77Å; I361-Y393 HydrophobicContact CG1-CE2 3.71Å; I361-Y393 HydrophobicContact CG1-CG 4.42Å; I361-Y393 HydrophobicContact CG2-CD1 3.92Å; I361-Y393 HydrophobicContact CG2-CD2 4.16Å; I361-Y393 HydrophobicContact CG2-CE1 3.98Å; I361-Y393 HydrophobicContact CG2-CE2 4.19Å; I361-Y393 HydrophobicContact CG2-CG 4.02Å; L389-Y393 HydrophobicContact CD1-CD2 3.99Å; L389-Y393 HydrophobicContact CD1-CE2 3.47Å; L389-Y393 VanDerWaalsContact CD1-CE2 3.47Å; L389-Y393 HydrophobicContact CD2-CE2 4.45Å; L389-Y393 HydrophobicContact CG-CD2 3.92Å; L389-Y393 HydrophobicContact CG-CE2 3.78Å; L389-Y393 VanDerWaalsContact O-CD2 3.23Å; L389-Y393 WeakPolarHBondContact O-CD2 3.39Å; L389-Y393 PolarHBondContact O-N 3.48Å; L389-Y393 VanDerWaalsContact O-N 3.13Å; C390-Y393 PolarHBondContact O-N 3.26Å; Y393-D396 PolarHBondContact O-N 3.48Å; Y393-W397 VanDerWaalsContact O-CB 3.28Å; Y393-W397 WeakPolarHBondContact O-CB 3.45Å; Y393-W397 PolarHBondContact O-N 3.35Å
394	F	88.8	Confident	85.4	Confident	1 Å²	1	35 Å²	35	0%	0.004	16%	0.16	C	C	.	.	H	α-helix	trans	-63.9	-48.6	173.7	-158.9	134.4	0	0	0	109.8	M363 C390 L391 T392 D396 W397 L398 H475 Q478 F479 L482	M363-F394 HydrophobicContact CE-CB 4.13Å; M363-F394 HydrophobicContact CE-CD1 4.44Å; M363-F394 HydrophobicContact SD-CB 4.27Å; M363-F394 HydrophobicContact SD-CD1 4.06Å; M363-F394 HydrophobicContact SD-CG 4.19Å; C390-F394 WeakPolarHBondContact O-CB 3.37Å; C390-F394 PolarHBondContact O-N 2.62Å; L391-F394 PolarHBondContact O-N 2.99Å; T392-F394 PolarHBondContact O-N 2.98Å; F394-D396 PolarHBondContact O-N 3.01Å; F394-W397 HydrophobicContact CE2-CE3 4.34Å; F394-W397 HydrophobicContact CE2-CZ3 4.45Å; F394-W397 PolarHBondContact O-N 2.9Å; F394-L398 HydrophobicContact CD2-CD1 3.56Å; F394-L398 HydrophobicContact CD2-CD2 4.46Å; F394-L398 HydrophobicContact CD2-CG 3.71Å; F394-L398 HydrophobicContact CE2-CD1 3.66Å; F394-L398 HydrophobicContact CE2-CD2 4.01Å; F394-L398 HydrophobicContact CE2-CG 3.75Å; F394-L398 WeakPolarHBondContact O-CG 3.46Å; F394-L398 PolarHBondContact O-N 3.12Å; F394-H475 HydrophobicContact CE2-CB 4.4Å; F394-H475 WeakPolarHBondContact CZ-O 3.47Å; F394-Q478 HydrophobicContact CE1-CB 4.39Å; F394-Q478 HydrophobicContact CZ-CB 4.15Å; F394-F479 HydrophobicContact CB-CD2 3.95Å; F394-F479 HydrophobicContact CB-CE2 4.37Å; F394-F479 HydrophobicContact CD1-CD2 4.46Å; F394-F479 HydrophobicContact CD2-CB 4.02Å; F394-F479 AromaticContact CD2-CD2 3.91Å; F394-F479 HydrophobicContact CD2-CD2 3.91Å; F394-F479 HydrophobicContact CD2-CG 4.35Å; F394-F479 HydrophobicContact CE2-CB 3.91Å; F394-F479 HydrophobicContact CG-CB 4.45Å; F394-F479 AromaticContact CG-CD2 3.85Å; F394-F479 HydrophobicContact CG-CD2 3.85Å; F394-F479 HydrophobicContact CZ-CB 4.16Å; F394-L482 HydrophobicContact CD1-CD1 3.84Å; F394-L482 HydrophobicContact CE1-CD1 3.89Å
395	K	88.4	Confident	85.5	Confident	30 Å²	30	31.9 Å²	31.9	13%	0.13	15%	0.147	C	C	.	.	H	α-helix	trans	-55.8	-50.2	175.2	177.5	-152.6	166.8	-173	0	111.1	L391 T392 W397 L398 I399 F479 I518 E521	L391-K395 WeakPolarHBondContact O-CB 3.39Å; L391-K395 PolarHBondContact O-N 2.87Å; T392-K395 WeakPolarHBondContact O-CB 3.24Å; T392-K395 PolarHBondContact O-N 3.07Å; K395-W397 VanDerWaalsContact C-N 3.31Å; K395-W397 PolarHBondContact O-N 3.45Å; K395-L398 WeakPolarHBondContact O-CB 3.43Å; K395-L398 PolarHBondContact O-N 2.98Å; K395-I399 HydrophobicContact CD-CD1 4.31Å; K395-I399 HydrophobicContact CG-CD1 3.94Å; K395-I399 WeakPolarHBondContact O-CG1 3.33Å; K395-I399 PolarHBondContact O-N 3.04Å; K395-F479 HydrophobicContact CB-CE2 4.28Å; K395-F479 HydrophobicContact CB-CZ 4.41Å; K395-I518 HydrophobicContact CD-CB 4.28Å; K395-E521 IonicContact NZ-OE2 3.81Å; K395-E521 PolarHBondContact NZ-OE2 3.39Å
396	D	88.9	Confident	85.4	Confident	69 Å²	69	32.3 Å²	32.3	37%	0.369	15%	0.148	S	C	.	.	H	α-helix	trans	-61.5	-41.4	-178.8	-68.5	-19.1	0	0	0	111.4	T392 Y393 F394 I399 D400	T392-D396 PolarHBondContact O-N 3.22Å; Y393-D396 PolarHBondContact O-N 3.48Å; F394-D396 PolarHBondContact O-N 3.01Å; D396-I399 PolarHBondContact O-N 3.44Å; D396-D400 WeakPolarHBondContact O-CB 3.35Å; D396-D400 PolarHBondContact O-N 2.99Å
397	W	90.7	Very high	85.4	Confident	20 Å²	20	39.6 Å²	39.6	8%	0.076	18%	0.176	C	C	.	.	H	α-helix	trans	-61.2	-44.4	174.1	178.2	90.1	0	0	0	112.4	M363 P364 Y393 F394 K395 I399 D400 Q401 M443 L471 H475	M363-W397 HydrophobicContact CB-CB 3.89Å; M363-W397 HydrophobicContact CB-CD2 3.86Å; M363-W397 HydrophobicContact CB-CG 3.4Å; M363-W397 VanDerWaalsContact CB-CG 3.4Å; M363-W397 HydrophobicContact CG-CB 3.92Å; M363-W397 HydrophobicContact CG-CG 4Å; P364-W397 HydrophobicContact CB-CH2 4.22Å; P364-W397 HydrophobicContact CB-CZ2 4.05Å; P364-W397 HydrophobicContact CG-CZ2 4.36Å; Y393-W397 VanDerWaalsContact O-CB 3.28Å; Y393-W397 WeakPolarHBondContact O-CB 3.45Å; Y393-W397 PolarHBondContact O-N 3.35Å; F394-W397 HydrophobicContact CE2-CE3 4.34Å; F394-W397 HydrophobicContact CE2-CZ3 4.45Å; F394-W397 PolarHBondContact O-N 2.9Å; K395-W397 VanDerWaalsContact C-N 3.31Å; K395-W397 PolarHBondContact O-N 3.45Å; W397-I399 VanDerWaalsContact C-N 3.35Å; W397-I399 PolarHBondContact O-N 2.96Å; W397-D400 PolarHBondContact O-N 3.14Å; W397-Q401 HydrophobicContact CD2-CG 4.07Å; W397-Q401 HydrophobicContact CE3-CG 4.16Å; W397-Q401 HydrophobicContact CH2-CG 3.89Å; W397-Q401 HydrophobicContact CZ2-CG 3.81Å; W397-Q401 HydrophobicContact CZ3-CG 4.08Å; W397-Q401 WeakPolarHBondContact O-CG 3.08Å; W397-Q401 PolarHBondContact O-N 3.31Å; W397-M443 HydrophobicContact CG-CE 4.32Å; W397-L471 HydrophobicContact CZ3-CD1 4.36Å; W397-H475 AromaticContact CH2-CD2 3.91Å; W397-H475 AromaticContact CH2-CE1 3.96Å; W397-H475 AromaticContact CH2-CG 3.92Å; W397-H475 AromaticContact CH2-ND1 3.95Å; W397-H475 AromaticContact CH2-NE2 3.95Å; W397-H475 HydrophobicContact CZ3-CB 4.08Å; W397-H475 AromaticContact CZ3-CG 3.89Å
398	L	89.9	Confident	85.1	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.6	-42.9	176.5	-75.3	171.1	0	0	0	111.7	F394 K395 D400 Q401 L402 L471 H475 V476 F479 L522	F394-L398 HydrophobicContact CD2-CD1 3.56Å; F394-L398 HydrophobicContact CD2-CD2 4.46Å; F394-L398 HydrophobicContact CD2-CG 3.71Å; F394-L398 HydrophobicContact CE2-CD1 3.66Å; F394-L398 HydrophobicContact CE2-CD2 4.01Å; F394-L398 HydrophobicContact CE2-CG 3.75Å; F394-L398 WeakPolarHBondContact O-CG 3.46Å; F394-L398 PolarHBondContact O-N 3.12Å; K395-L398 WeakPolarHBondContact O-CB 3.43Å; K395-L398 PolarHBondContact O-N 2.98Å; L398-D400 VanDerWaalsContact C-N 3.33Å; L398-Q401 WeakPolarHBondContact O-CB 3.49Å; L398-Q401 PolarHBondContact O-N 3.07Å; L398-L402 WeakPolarHBondContact O-CG 3.26Å; L398-L402 PolarHBondContact O-N 3.2Å; L398-L471 HydrophobicContact CD2-CD1 3.75Å; L398-L471 HydrophobicContact CD2-CD2 4.19Å; L398-L471 HydrophobicContact CD2-CG 3.97Å; L398-H475 HydrophobicContact CD2-CB 3.91Å; L398-V476 HydrophobicContact CD1-CG2 4.16Å; L398-V476 HydrophobicContact CD2-CG2 4.15Å; L398-F479 HydrophobicContact CD1-CB 4.15Å; L398-F479 HydrophobicContact CD1-CG 4.2Å; L398-L522 HydrophobicContact CB-CD1 3.75Å; L398-L522 HydrophobicContact CD1-CD1 3.92Å; L398-L522 HydrophobicContact CD1-CD2 3.59Å; L398-L522 HydrophobicContact CD1-CG 4.41Å; L398-L522 HydrophobicContact CG-CD1 4.49Å
399	I	87.3	Confident	84.5	Confident	21 Å²	21	38 Å²	38	11%	0.108	17%	0.172	C	C	.	.	H	α-helix	trans	-64.2	-41.2	176.7	-69.1	172	0	0	0	110.5	K395 D396 W397 Q401 L402 R403 L522	K395-I399 HydrophobicContact CD-CD1 4.31Å; K395-I399 HydrophobicContact CG-CD1 3.94Å; K395-I399 WeakPolarHBondContact O-CG1 3.33Å; K395-I399 PolarHBondContact O-N 3.04Å; D396-I399 PolarHBondContact O-N 3.44Å; W397-I399 VanDerWaalsContact C-N 3.35Å; W397-I399 PolarHBondContact O-N 2.96Å; I399-Q401 VanDerWaalsContact C-N 3.32Å; I399-Q401 PolarHBondContact O-N 2.87Å; I399-L402 PolarHBondContact O-N 3.46Å; I399-R403 WeakPolarHBondContact O-CG 3.07Å; I399-R403 PolarHBondContact O-N 3.35Å; I399-L522 HydrophobicContact CG1-CD1 4.32Å
400	D	88.1	Confident	83.7	Confident	73 Å²	73	38.9 Å²	38.9	39%	0.39	18%	0.175	S	C	.	.	H	α-helix	trans	-66.8	-33.2	175.6	-80.3	-7.1	0	0	0	112.2	D396 W397 L398 R403 N404	D396-D400 WeakPolarHBondContact O-CB 3.35Å; D396-D400 PolarHBondContact O-N 2.99Å; W397-D400 PolarHBondContact O-N 3.14Å; L398-D400 VanDerWaalsContact C-N 3.33Å; D400-R403 PolarHBondContact O-N 2.91Å; D400-R403 IonicContact OD1-NH1 3.37Å; D400-R403 PolarHBondContact OD1-NH1 2.83Å; D400-N404 WeakPolarHBondContact O-CB 3.44Å; D400-N404 PolarHBondContact O-N 3.24Å; D400-N404 PolarHBondContact O-ND2 3.08Å
401	Q	83.6	Confident	82.7	Confident	5 Å²	5	43.3 Å²	43.3	2%	0.023	20%	0.196	C	C	.	.	H	α-helix	trans	-62.8	-46.3	170.1	-68.8	-48	-82.1	0	0	112	W397 L398 I399 R403 N404 Y405 L471	W397-Q401 HydrophobicContact CD2-CG 4.07Å; W397-Q401 HydrophobicContact CE3-CG 4.16Å; W397-Q401 HydrophobicContact CH2-CG 3.89Å; W397-Q401 HydrophobicContact CZ2-CG 3.81Å; W397-Q401 HydrophobicContact CZ3-CG 4.08Å; W397-Q401 WeakPolarHBondContact O-CG 3.08Å; W397-Q401 PolarHBondContact O-N 3.31Å; L398-Q401 WeakPolarHBondContact O-CB 3.49Å; L398-Q401 PolarHBondContact O-N 3.07Å; I399-Q401 VanDerWaalsContact C-N 3.32Å; I399-Q401 PolarHBondContact O-N 2.87Å; Q401-R403 VanDerWaalsContact C-N 3.32Å; Q401-R403 PolarHBondContact O-N 3.21Å; Q401-N404 WeakPolarHBondContact O-CB 3.24Å; Q401-N404 PolarHBondContact O-N 2.96Å; Q401-N404 VanDerWaalsContact O-N 3.14Å; Q401-Y405 HydrophobicContact CB-CE2 4.29Å; Q401-Y405 VanDerWaalsContact O-CD2 3.31Å; Q401-Y405 WeakPolarHBondContact O-CD2 3.31Å; Q401-Y405 PolarHBondContact O-N 3.32Å; Q401-L471 HydrophobicContact CB-CD1 4.23Å; Q401-L471 HydrophobicContact CB-CD2 4.3Å; Q401-L471 HydrophobicContact CG-CD1 4.45Å
402	L	86	Confident	81.3	Confident	3 Å²	3	45.7 Å²	45.7	2%	0.016	21%	0.208	C	C	.	.	H	α-helix	trans	-58.4	-44.7	176.2	-67.6	170.1	0	0	0	111.8	L398 I399 N404 Y405 Q406 V468 L471 V526	L398-L402 WeakPolarHBondContact O-CG 3.26Å; L398-L402 PolarHBondContact O-N 3.2Å; I399-L402 PolarHBondContact O-N 3.46Å; L402-N404 VanDerWaalsContact C-N 3.32Å; L402-N404 PolarHBondContact O-N 2.96Å; L402-Y405 PolarHBondContact O-N 2.95Å; L402-Q406 PolarHBondContact O-N 3.01Å; L402-V468 HydrophobicContact CD2-CG1 4.07Å; L402-V468 HydrophobicContact CD2-CG2 3.92Å; L402-L471 HydrophobicContact CD2-CD2 3.69Å; L402-L471 HydrophobicContact CG-CD2 3.94Å; L402-V526 HydrophobicContact CD1-CB 4.38Å; L402-V526 HydrophobicContact CD1-CG2 3.63Å; L402-V526 HydrophobicContact CD2-CG2 4.3Å
403	R	85.1	Confident	79.8	Confident	135 Å²	135	45.6 Å²	45.6	51%	0.509	21%	0.205	S	C	.	.	H	α-helix	trans	-63.4	-37.2	176.3	-71.6	169.6	174.5	167.9	-2.4	112.3	I399 D400 Q401 Q406 R407	I399-R403 WeakPolarHBondContact O-CG 3.07Å; I399-R403 PolarHBondContact O-N 3.35Å; D400-R403 PolarHBondContact O-N 2.91Å; D400-R403 IonicContact OD1-NH1 3.37Å; D400-R403 PolarHBondContact OD1-NH1 2.83Å; Q401-R403 VanDerWaalsContact C-N 3.32Å; Q401-R403 PolarHBondContact O-N 3.21Å; R403-Q406 PolarHBondContact O-N 3.33Å; R403-R407 PolarHBondContact O-N 3.12Å
404	N	83.4	Confident	78.2	Confident	25 Å²	25	46.2 Å²	46.2	13%	0.134	22%	0.217	C	C	.	.	H	α-helix	trans	-66.9	-44	176	-74	-21.6	0	0	0	111.6	D400 Q401 L402 Q406 R407 I408	D400-N404 WeakPolarHBondContact O-CB 3.44Å; D400-N404 PolarHBondContact O-N 3.24Å; D400-N404 PolarHBondContact O-ND2 3.08Å; Q401-N404 WeakPolarHBondContact O-CB 3.24Å; Q401-N404 PolarHBondContact O-N 2.96Å; Q401-N404 VanDerWaalsContact O-N 3.14Å; L402-N404 VanDerWaalsContact C-N 3.32Å; L402-N404 PolarHBondContact O-N 2.96Å; N404-Q406 VanDerWaalsContact C-N 3.31Å; N404-Q406 PolarHBondContact O-N 3.37Å; N404-R407 PolarHBondContact O-N 3.48Å; N404-I408 WeakPolarHBondContact O-CG1 3.49Å; N404-I408 PolarHBondContact O-N 2.89Å
405	Y	81.1	Confident	76.3	Confident	3 Å²	3	49 Å²	49	1%	0.012	23%	0.233	C	C	.	.	H	α-helix	trans	-60	-42	174.8	-61.7	-38.4	0	0	0	112	Q401 L402 I408 S409 F451 A467 V468 L471	Q401-Y405 HydrophobicContact CB-CE2 4.29Å; Q401-Y405 VanDerWaalsContact O-CD2 3.31Å; Q401-Y405 WeakPolarHBondContact O-CD2 3.31Å; Q401-Y405 PolarHBondContact O-N 3.32Å; L402-Y405 PolarHBondContact O-N 2.95Å; Y405-I408 PolarHBondContact O-N 3.37Å; Y405-S409 WeakPolarHBondContact O-CB 3.39Å; Y405-S409 PolarHBondContact O-N 2.96Å; Y405-F451 HydrophobicContact CE1-CB 4.14Å; Y405-F451 HydrophobicContact CE1-CD1 4.03Å; Y405-F451 HydrophobicContact CE1-CD2 4.49Å; Y405-F451 AromaticContact CE1-CG 3.98Å; Y405-F451 HydrophobicContact CE1-CG 3.98Å; Y405-F451 AromaticContact CZ-CD1 3.97Å; Y405-F451 WeakPolarHBondContact OH-CD1 3.31Å; Y405-F451 WeakPolarHBondContact OH-CE1 3.45Å; Y405-F451 WeakPolarHBondContact OH-CZ 3.49Å; Y405-A467 HydrophobicContact CD1-CB 4.2Å; Y405-A467 HydrophobicContact CD2-CB 4.33Å; Y405-A467 HydrophobicContact CE1-CB 4.24Å; Y405-A467 HydrophobicContact CE2-CB 4.34Å; Y405-A467 HydrophobicContact CG-CB 4.27Å; Y405-V468 HydrophobicContact CD2-CG2 4.4Å; Y405-L471 HydrophobicContact CE2-CB 4.25Å; Y405-L471 HydrophobicContact CE2-CD1 4.5Å; Y405-L471 HydrophobicContact CE2-CD2 4.1Å
406	Q	79.2	Confident	74.3	Confident	47 Å²	47	50.2 Å²	50.2	22%	0.22	25%	0.253	C	S	.	.	H	α-helix	trans	-62	-43.9	175.1	-177.1	175.5	20.3	0	0	111.7	L402 R403 N404 I408 S409 H410 H529 I533	L402-Q406 PolarHBondContact O-N 3.01Å; R403-Q406 PolarHBondContact O-N 3.33Å; N404-Q406 VanDerWaalsContact C-N 3.31Å; N404-Q406 PolarHBondContact O-N 3.37Å; Q406-I408 PolarHBondContact O-N 3.48Å; Q406-S409 PolarHBondContact O-N 3.38Å; Q406-H410 WeakPolarHBondContact CG-NE2 3.45Å; Q406-H410 WeakPolarHBondContact O-CB 3.38Å; Q406-H410 PolarHBondContact O-CD2 3.13Å; Q406-H410 PolarHBondContact O-N 3.38Å; Q406-H529 PolarHBondContact OE1-CD2 3.2Å; Q406-H529 VanDerWaalsContact OE1-CD2 3.31Å; Q406-I533 HydrophobicContact CB-CD1 4.27Å; Q406-I533 HydrophobicContact CG-CD1 3.92Å; Q406-I533 HydrophobicContact CG-CG1 4.49Å
407	R	79.1	Confident	72.1	Confident	154 Å²	154	54.3 Å²	54.3	58%	0.581	28%	0.275	S	S	*	.	H	α-helix	trans	-62.2	-41.8	177.6	-173.8	-175.3	-71.3	143.7	-2.3	112.3	R403 N404 H410 Q411	R403-R407 PolarHBondContact O-N 3.12Å; N404-R407 PolarHBondContact O-N 3.48Å; R407-H410 PolarHBondContact O-N 3.4Å; R407-Q411 PolarHBondContact O-N 3.05Å
408	I	74	Confident	69.6	Low	40 Å²	40	57.8 Å²	57.8	21%	0.205	30%	0.303	C	S	.	.	H	α-helix	trans	-63.9	-47.6	178	-66.8	164.9	0	0	0	110	N404 Y405 Q406 H410 Q411 D412 L433 F455	N404-I408 WeakPolarHBondContact O-CG1 3.49Å; N404-I408 PolarHBondContact O-N 2.89Å; Y405-I408 PolarHBondContact O-N 3.37Å; Q406-I408 PolarHBondContact O-N 3.48Å; I408-H410 VanDerWaalsContact C-N 3.26Å; I408-H410 PolarHBondContact O-N 3.35Å; I408-Q411 PolarHBondContact O-N 2.98Å; I408-Q411 VanDerWaalsContact O-N 3.16Å; I408-D412 PolarHBondContact O-N 3.43Å; I408-D412 VanDerWaalsContact O-N 3.14Å; I408-L433 HydrophobicContact CD1-CD1 4.29Å; I408-L433 HydrophobicContact CG1-CD1 4.36Å; I408-F455 HydrophobicContact CG2-CD1 4.24Å; I408-F455 HydrophobicContact CG2-CD2 4.45Å; I408-F455 HydrophobicContact CG2-CE1 4.17Å; I408-F455 HydrophobicContact CG2-CE2 4.38Å; I408-F455 HydrophobicContact CG2-CG 4.38Å; I408-F455 HydrophobicContact CG2-CZ 4.24Å
409	S	69.8	Low	66.9	Low	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-57.6	-39.5	176	-174.9	0	0	0	0	112.2	Y405 Q406 M413 P460	Y405-S409 WeakPolarHBondContact O-CB 3.39Å; Y405-S409 PolarHBondContact O-N 2.96Å; Q406-S409 PolarHBondContact O-N 3.38Å; S409-M413 VanDerWaalsContact O-CG 3.31Å; S409-M413 WeakPolarHBondContact O-CG 3.23Å; S409-M413 PolarHBondContact O-N 2.96Å; S409-M413 VanDerWaalsContact O-N 3.12Å; S409-P460 WeakPolarHBondContact OG-CB 3.35Å
410	H	69.1	Low	64.2	Low	52 Å²	52	72.1 Å²	72.1	24%	0.241	37%	0.367	C	S	.	.	H	α-helix	trans	-67.8	-39.1	177.4	-77.3	-40.3	0	0	0	113.4	Q406 R407 I408 D412 M413 V414 E536	Q406-H410 WeakPolarHBondContact CG-NE2 3.45Å; Q406-H410 WeakPolarHBondContact O-CB 3.38Å; Q406-H410 PolarHBondContact O-CD2 3.13Å; Q406-H410 PolarHBondContact O-N 3.38Å; R407-H410 PolarHBondContact O-N 3.4Å; I408-H410 VanDerWaalsContact C-N 3.26Å; I408-H410 PolarHBondContact O-N 3.35Å; H410-D412 VanDerWaalsContact C-N 3.34Å; H410-M413 PolarHBondContact O-N 3.31Å; H410-V414 WeakPolarHBondContact O-CG2 3.39Å; H410-V414 PolarHBondContact O-N 3.3Å; H410-E536 VanDerWaalsContact CE1-CD 3.4Å; H410-E536 IonicContact CE1-OE1 2.58Å; H410-E536 PolarHBondContact CE1-OE1 2.88Å; H410-E536 IonicContact CE1-OE2 3.2Å; H410-E536 PolarHBondContact CE1-OE2 3.11Å; H410-E536 IonicContact ND1-OE1 3.18Å; H410-E536 IonicContact NE2-OE2 3.89Å
411	Q	65.2	Low	61.6	Low	98 Å²	98	73.5 Å²	73.5	46%	0.458	38%	0.382	S	S	.	.	H	α-helix	trans	-62.1	-44.6	177.3	-172.5	60.6	41.9	0	0	110.7	R407 I408 M413 V414 D415	R407-Q411 PolarHBondContact O-N 3.05Å; I408-Q411 PolarHBondContact O-N 2.98Å; I408-Q411 VanDerWaalsContact O-N 3.16Å; Q411-M413 VanDerWaalsContact C-N 3.35Å; Q411-M413 PolarHBondContact O-N 3.26Å; Q411-V414 PolarHBondContact O-N 3.12Å; Q411-D415 PolarHBondContact NE2-OD1 3.33Å; Q411-D415 PolarHBondContact NE2-OD2 3.18Å; Q411-D415 WeakPolarHBondContact O-CB 3.38Å; Q411-D415 PolarHBondContact O-N 2.91Å
412	D	57.4	Low	59.2	Low	52 Å²	52	81.2 Å²	81.2	28%	0.278	42%	0.416	S	S	.	.	H	α-helix	trans	-66.5	-34.5	178.6	-70.5	-22.1	0	0	0	112.6	I408 H410 G416 P460	I408-D412 PolarHBondContact O-N 3.43Å; I408-D412 VanDerWaalsContact O-N 3.14Å; H410-D412 VanDerWaalsContact C-N 3.34Å; D412-G416 PolarHBondContact O-N 3.03Å; D412-P460 HydrophobicContact CB-CG 4.14Å
413	M	54.4	Low	56.7	Low	45 Å²	45	90.1 Å²	90.1	22%	0.222	46%	0.457	C	S	.	.	H	α-helix	trans	-69.1	-38.1	175.8	-73.5	179.8	71.7	0	0	112.7	S409 H410 Q411 P460 T540	S409-M413 VanDerWaalsContact O-CG 3.31Å; S409-M413 WeakPolarHBondContact O-CG 3.23Å; S409-M413 PolarHBondContact O-N 2.96Å; S409-M413 VanDerWaalsContact O-N 3.12Å; H410-M413 PolarHBondContact O-N 3.31Å; Q411-M413 VanDerWaalsContact C-N 3.35Å; Q411-M413 PolarHBondContact O-N 3.26Å; M413-P460 HydrophobicContact CG-CB 4.08Å; M413-P460 HydrophobicContact CG-CG 4.08Å; M413-T540 HydrophobicContact CE-CG2 4.49Å; M413-T540 WeakPolarHBondContact CE-OG1 3.41Å
414	V	52.6	Low	54.2	Low	97 Å²	97	94 Å²	94	59%	0.588	48%	0.478	S	S	*	.	H	α-helix	trans	-71.4	-43.9	176.9	174.9	0	0	0	0	111	H410 Q411 N417 S418	H410-V414 WeakPolarHBondContact O-CG2 3.39Å; H410-V414 PolarHBondContact O-N 3.3Å; Q411-V414 PolarHBondContact O-N 3.12Å; V414-N417 PolarHBondContact O-N 3.36Å; V414-S418 PolarHBondContact O-N 3.13Å
415	D	48.6	Very low	51.9	Low	61 Å²	61	98.5 Å²	98.5	33%	0.326	50%	0.502	S	S	.	.	H	α-helix	trans	-68.5	-37.7	-179.9	-71.6	-25.6	0	0	0	111.3	Q411 N417 S418 M419	Q411-D415 PolarHBondContact NE2-OD1 3.33Å; Q411-D415 PolarHBondContact NE2-OD2 3.18Å; Q411-D415 WeakPolarHBondContact O-CB 3.38Å; Q411-D415 PolarHBondContact O-N 2.91Å; D415-N417 PolarHBondContact O-N 2.97Å; D415-S418 PolarHBondContact O-N 3.48Å; D415-M419 WeakPolarHBondContact O-CB 3.47Å; D415-M419 PolarHBondContact O-N 3.43Å
416	G	46.2	Very low	49.6	Very low	54 Å²	54	100.7 Å²	100.7	56%	0.557	53%	0.526	S	S	*	.	H	α-helix	trans	-56.9	-33.2	174.5	0	0	0	0	0	114	D412	D412-G416 PolarHBondContact O-N 3.03Å
417	N	43.9	Very low	47.7	Very low	155 Å²	155	101.8 Å²	101.8	83%	0.829	54%	0.539	S	S	*	.	H	α-helix	trans	-79.6	-16.8	175.5	-101.7	9.8	0	0	0	113.9	V414 D415	V414-N417 PolarHBondContact O-N 3.36Å; D415-N417 PolarHBondContact O-N 2.97Å
418	S	38.7	Very low	45.8	Very low	94 Å²	94	99.5 Å²	99.5	66%	0.657	54%	0.538	S	S	*	.	H	α-helix	trans	-96	-18	176.9	-159.7	0	0	0	0	113.4	V414 D415 K420	V414-S418 PolarHBondContact O-N 3.13Å; D415-S418 PolarHBondContact O-N 3.48Å; S418-K420 VanDerWaalsContact C-N 3.33Å; S418-K420 PolarHBondContact O-N 3.48Å
419	M	32.4	Very low	44	Very low	111 Å²	111	101.8 Å²	101.8	55%	0.547	55%	0.55	S	S	.	.			trans	-85.5	54.2	-166.7	-138.2	79.3	159.9	0	0	114.8	D415 S421 K422	D415-M419 WeakPolarHBondContact O-CB 3.47Å; D415-M419 PolarHBondContact O-N 3.43Å; M419-S421 VanDerWaalsContact C-N 3.3Å; M419-K422 HydrophobicContact CE-CB 4.07Å
420	K	31.4	Very low	42.4	Very low	211 Å²	211	106.1 Å²	106.1	92%	0.917	57%	0.572	S	S	*	*	S	Bend	trans	-82.4	2.5	162	-89.8	-167.8	179.5	179.9	0	114.2	S418	S418-K420 VanDerWaalsContact C-N 3.33Å; S418-K420 PolarHBondContact O-N 3.48Å
421	S	33.5	Very low	40.8	Very low	101 Å²	101	105.5 Å²	105.5	71%	0.706	58%	0.579	S	S	*	*	S	Bend	trans	-162.2	65.3	-178.5	58.4	0	0	0	0	115.9	M419	M419-S421 VanDerWaalsContact C-N 3.3Å
422	K	32.4	Very low	39.5	Very low	168 Å²	168	105.1 Å²	105.1	73%	0.73	58%	0.58	S	S	*	*			trans	-158.1	129.1	155.3	-105.2	145.7	-170.6	-171.3	0	111.6	M419 F424	M419-K422 HydrophobicContact CE-CB 4.07Å; K422-F424 PolarHBondContact O-N 2.92Å
423	Q	33.9	Very low	38.5	Very low	189 Å²	189	105.4 Å²	105.4	88%	0.883	58%	0.582	S	S	*	*			trans	-49.7	131.4	176.3	-76.8	167.1	-32.6	0	0	110.9	D425	Q423-D425 PolarHBondContact O-N 2.79Å; Q423-D425 VanDerWaalsContact O-N 3.13Å
424	F	31.5	Very low	37.6	Very low	218 Å²	218	109.5 Å²	109.5	96%	0.956	60%	0.604	S	S	*	*			trans	-58.7	106.2	173.2	-95	-103.2	0	0	0	109.8	K422	K422-F424 PolarHBondContact O-N 2.92Å
425	D	35	Very low	36.8	Very low	118 Å²	118	108.7 Å²	108.7	63%	0.631	60%	0.603	S	S	*	*			trans	-125.1	112.5	166.1	-141.9	-5.8	0	0	0	107.1	Q423 S427 N428	Q423-D425 PolarHBondContact O-N 2.79Å; Q423-D425 VanDerWaalsContact O-N 3.13Å; D425-S427 PolarHBondContact O-N 3.43Å; D425-N428 PolarHBondContact O-N 2.88Å
426	G	33.3	Very low	36.2	Very low	50 Å²	50	110.3 Å²	110.3	52%	0.515	61%	0.614	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.7	-3.8	-169.1	0	0	0	0	0	115.1
427	S	40.3	Very low	35.7	Very low	69 Å²	69	114.9 Å²	114.9	48%	0.483	63%	0.626	S	S	.	*	H	α-helix	trans	-77.1	-24	177.9	53.7	0	0	0	0	113.7	D425 I429 I430 G431	D425-S427 PolarHBondContact O-N 3.43Å; S427-I429 PolarHBondContact O-N 3.36Å; S427-I430 PolarHBondContact O-N 3.34Å; S427-G431 PolarHBondContact O-N 3.05Å
428	N	37.6	Very low	35.2	Very low	106 Å²	106	114.4 Å²	114.4	57%	0.567	62%	0.623	S	S	*	*	H	α-helix	trans	-72.7	-27	-177.1	-83.8	-17	0	0	0	113.9	D425 N432	D425-N428 PolarHBondContact O-N 2.88Å; N428-N432 WeakPolarHBondContact O-CB 3.49Å; N428-N432 PolarHBondContact O-N 3.44Å
429	I	37.9	Very low	35	Very low	89 Å²	89	119.7 Å²	119.7	46%	0.456	64%	0.635	S	S	.	*	H	α-helix	trans	-69.5	-44.7	176.6	-56.8	176.2	0	0	0	109.6	S427 G431 N432 L433	S427-I429 PolarHBondContact O-N 3.36Å; I429-G431 VanDerWaalsContact C-N 3.33Å; I429-G431 PolarHBondContact O-N 3.01Å; I429-N432 PolarHBondContact O-N 3.5Å; I429-L433 WeakPolarHBondContact O-CB 3.32Å; I429-L433 PolarHBondContact O-N 3.28Å
430	I	34.8	Very low	35.3	Very low	91 Å²	91	120.2 Å²	120.2	47%	0.467	65%	0.649	S	S	.	*	H	α-helix	trans	-64.4	-41.9	177.2	-54.6	176.5	0	0	0	110	S427 L433 L434	S427-I430 PolarHBondContact O-N 3.34Å; I430-L433 PolarHBondContact O-N 3.33Å; I430-L434 HydrophobicContact CG2-CD1 3.91Å; I430-L434 HydrophobicContact CG2-CG 4.42Å; I430-L434 WeakPolarHBondContact O-CB 3.35Å; I430-L434 VanDerWaalsContact O-CG 3.23Å; I430-L434 WeakPolarHBondContact O-CG 3.28Å; I430-L434 PolarHBondContact O-N 2.94Å
431	G	36.3	Very low	35.5	Very low	38 Å²	38	112.7 Å²	112.7	39%	0.392	62%	0.623	S	S	.	*	H	α-helix	trans	-61.9	-42.3	177.1	0	0	0	0	0	113.6	S427 I429 S435	S427-G431 PolarHBondContact O-N 3.05Å; I429-G431 VanDerWaalsContact C-N 3.33Å; I429-G431 PolarHBondContact O-N 3.01Å; G431-S435 WeakPolarHBondContact O-CB 3.43Å; G431-S435 PolarHBondContact O-N 2.91Å
432	N	38.5	Very low	35.6	Very low	90 Å²	90	115.4 Å²	115.4	48%	0.481	64%	0.635	S	S	.	*	H	α-helix	trans	-76.3	-33.6	178	-73.8	5.4	0	0	0	112.4	N428 I429 L434 S435	N428-N432 WeakPolarHBondContact O-CB 3.49Å; N428-N432 PolarHBondContact O-N 3.44Å; I429-N432 PolarHBondContact O-N 3.5Å; N432-L434 VanDerWaalsContact C-N 3.27Å; N432-L434 PolarHBondContact O-N 3.41Å; N432-S435 PolarHBondContact O-N 3.46Å; N432-S435 PolarHBondContact O-OG 3.33Å; N432-S435 VanDerWaalsContact O-OG 3.13Å
433	L	36.1	Very low	35.7	Very low	58 Å²	58	109 Å²	109	30%	0.304	61%	0.608	S	S	.	*	H	α-helix	trans	-66.1	-32.3	174.5	-164.9	76.1	0	0	0	111.4	I408 I429 I430 F448	I408-L433 HydrophobicContact CD1-CD1 4.29Å; I408-L433 HydrophobicContact CG1-CD1 4.36Å; I429-L433 WeakPolarHBondContact O-CB 3.32Å; I429-L433 PolarHBondContact O-N 3.28Å; I430-L433 PolarHBondContact O-N 3.33Å; L433-F448 HydrophobicContact CD1-CD1 4.4Å; L433-F448 HydrophobicContact CD2-CD1 4.12Å; L433-F448 HydrophobicContact CG-CD1 4.32Å
434	L	35.2	Very low	36	Very low	132 Å²	132	104.7 Å²	104.7	69%	0.691	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-12.6	174.3	-68	173	0	0	0	113.9	I430 N432	I430-L434 HydrophobicContact CG2-CD1 3.91Å; I430-L434 HydrophobicContact CG2-CG 4.42Å; I430-L434 WeakPolarHBondContact O-CB 3.35Å; I430-L434 VanDerWaalsContact O-CG 3.23Å; I430-L434 WeakPolarHBondContact O-CG 3.28Å; I430-L434 PolarHBondContact O-N 2.94Å; N432-L434 VanDerWaalsContact C-N 3.27Å; N432-L434 PolarHBondContact O-N 3.41Å
435	S	35.4	Very low	36.1	Very low	80 Å²	80	98 Å²	98	56%	0.559	57%	0.569	S	S	*	*			trans	-93.1	-0	-175.6	78.8	0	0	0	0	114.8	G431 N432 D437	G431-S435 WeakPolarHBondContact O-CB 3.43Å; G431-S435 PolarHBondContact O-N 2.91Å; N432-S435 PolarHBondContact O-N 3.46Å; N432-S435 PolarHBondContact O-OG 3.33Å; N432-S435 VanDerWaalsContact O-OG 3.13Å; S435-D437 PolarHBondContact O-N 2.58Å
436	V	36.5	Very low	36.3	Very low	94 Å²	94	97 Å²	97	57%	0.57	56%	0.564	S	S	*	*	S	Bend	trans	-72.1	121.4	174.3	-178.8	0	0	0	0	110.2	N438	V436-N438 PolarHBondContact O-N 3.18Å
437	D	35.8	Very low	36.7	Very low	151 Å²	151	95.8 Å²	95.8	81%	0.807	55%	0.548	S	S	*	.			trans	-40.4	103.2	-176.7	-80.6	-46.8	0	0	0	114.1	S435 K439	S435-D437 PolarHBondContact O-N 2.58Å; D437-K439 VanDerWaalsContact C-N 3.26Å; D437-K439 PolarHBondContact O-N 3.3Å
438	N	32.4	Very low	36.6	Very low	144 Å²	144	95.4 Å²	95.4	77%	0.77	54%	0.538	S	S	*	.			trans	-78.6	60.8	-168.4	-156.5	6.1	0	0	0	112.8	V436	V436-N438 PolarHBondContact O-N 3.18Å
439	K	35.4	Very low	36.9	Very low	205 Å²	205	95.5 Å²	95.5	89%	0.891	54%	0.537	S	S	*	.	S	Bend	trans	-118	-2.4	179.8	-79.7	-171.8	178.9	175.5	0	116.4	D437	D437-K439 VanDerWaalsContact C-N 3.26Å; D437-K439 PolarHBondContact O-N 3.3Å
440	S	37.6	Very low	37.2	Very low	122 Å²	122	95.5 Å²	95.5	85%	0.853	54%	0.538	S	S	*	.	S	Bend	trans	-136.2	-4.8	-177	56.4	0	0	0	0	118.7
441	S	36	Very low	37.8	Very low	53 Å²	53	92.3 Å²	92.3	37%	0.371	52%	0.52	S	S	.	.			trans	-139.2	108.9	173.3	64.1	0	0	0	0	112.3	M443	S441-M443 PolarHBondContact O-N 2.81Å
442	V	35.5	Very low	38.3	Very low	158 Å²	158	91.5 Å²	91.5	96%	0.958	51%	0.51	S	S	*	.			trans	-73.3	76.1	167.8	-176.3	0	0	0	0	107.5
443	M	35.2	Very low	38.9	Very low	34 Å²	34	93.3 Å²	93.3	17%	0.167	52%	0.515	C	S	.	.			trans	-101.4	141.3	172.4	-77.6	-92.5	175.6	0	0	109.2	W397 S441 F448	W397-M443 HydrophobicContact CG-CE 4.32Å; S441-M443 PolarHBondContact O-N 2.81Å; M443-F448 HydrophobicContact CB-CD2 4.16Å; M443-F448 HydrophobicContact CB-CE2 3.7Å; M443-F448 HydrophobicContact CG-CE2 4.27Å
444	N	39.6	Very low	39.7	Very low	99 Å²	99	92 Å²	92	53%	0.529	51%	0.509	S	S	.	.			trans	-71	126.6	178.4	-163.3	12	0	0	0	109.4	D446 S447	N444-D446 PolarHBondContact O-N 3.33Å; N444-D446 VanDerWaalsContact O-N 3.11Å; N444-S447 PolarHBondContact O-N 3.04Å; N444-S447 PolarHBondContact O-OG 2.88Å
445	P	33.7	Very low	40.7	Very low	76 Å²	76	86.8 Å²	86.8	49%	0.494	48%	0.481	S	S	.	.	H	α-helix	trans	-53	-32.2	179	16.1	-30.9	0	0	0	113.7	S447 F448 I449	P445-S447 PolarHBondContact O-N 2.98Å; P445-F448 WeakPolarHBondContact O-CB 3.49Å; P445-F448 PolarHBondContact O-N 2.89Å; P445-F448 VanDerWaalsContact O-N 3.08Å; P445-I449 WeakPolarHBondContact O-CG1 3.28Å; P445-I449 PolarHBondContact O-N 3.24Å
446	D	38.7	Very low	41.7	Very low	98 Å²	98	88.5 Å²	88.5	52%	0.524	48%	0.476	S	S	.	.	H	α-helix	trans	-61.3	-32.4	178	-63.4	-25.4	0	0	0	113.1	N444 L450	N444-D446 PolarHBondContact O-N 3.33Å; N444-D446 VanDerWaalsContact O-N 3.11Å; D446-L450 PolarHBondContact O-N 3.41Å
447	S	42.2	Very low	42.9	Very low	24 Å²	24	88.4 Å²	88.4	17%	0.168	49%	0.493	C	S	.	.	H	α-helix	trans	-68.5	-43	174.7	64.6	0	0	0	0	110.9	N444 P445 I449 L450 F451	N444-S447 PolarHBondContact O-N 3.04Å; N444-S447 PolarHBondContact O-OG 2.88Å; P445-S447 PolarHBondContact O-N 2.98Å; S447-I449 VanDerWaalsContact C-N 3.33Å; S447-I449 PolarHBondContact O-N 2.86Å; S447-L450 PolarHBondContact O-N 3.33Å; S447-F451 WeakPolarHBondContact O-CD2 3.18Å; S447-F451 WeakPolarHBondContact O-CE2 3.43Å; S447-F451 WeakPolarHBondContact O-CG 3.35Å; S447-F451 PolarHBondContact O-N 3.16Å
448	F	37.5	Very low	44.4	Very low	62 Å²	62	83.2 Å²	83.2	27%	0.272	47%	0.467	S	S	.	.	H	α-helix	trans	-60.1	-40.2	175.4	-92.2	-84.9	0	0	0	112.7	L433 M443 P445 F451 A452	L433-F448 HydrophobicContact CD1-CD1 4.4Å; L433-F448 HydrophobicContact CD2-CD1 4.12Å; L433-F448 HydrophobicContact CG-CD1 4.32Å; M443-F448 HydrophobicContact CB-CD2 4.16Å; M443-F448 HydrophobicContact CB-CE2 3.7Å; M443-F448 HydrophobicContact CG-CE2 4.27Å; P445-F448 WeakPolarHBondContact O-CB 3.49Å; P445-F448 PolarHBondContact O-N 2.89Å; P445-F448 VanDerWaalsContact O-N 3.08Å; F448-F451 PolarHBondContact O-N 3.18Å; F448-A452 PolarHBondContact O-N 2.64Å
449	I	43.6	Very low	46.4	Very low	107 Å²	107	78 Å²	78	55%	0.549	44%	0.441	S	S	.	.	H	α-helix	trans	-65.2	-44.2	-179.8	-63.2	167.3	0	0	0	111	P445 S447 F451 A452	P445-I449 WeakPolarHBondContact O-CG1 3.28Å; P445-I449 PolarHBondContact O-N 3.24Å; S447-I449 VanDerWaalsContact C-N 3.33Å; S447-I449 PolarHBondContact O-N 2.86Å; I449-F451 PolarHBondContact O-N 3.37Å; I449-A452 PolarHBondContact O-N 3.21Å
450	L	44.2	Very low	48.3	Very low	90 Å²	90	70.1 Å²	70.1	47%	0.471	41%	0.411	S	S	.	.	H	α-helix	trans	-61.9	-25.9	176.1	-96	150.4	0	0	0	113.4	D446 S447 R470	D446-L450 PolarHBondContact O-N 3.41Å; S447-L450 PolarHBondContact O-N 3.33Å; L450-R470 PolarHBondContact O-NH1 3.07Å
451	F	47.8	Very low	50.5	Low	23 Å²	23	64.7 Å²	64.7	10%	0.101	37%	0.372	C	S	.	.	H	α-helix	trans	-90.1	-26.9	177.7	-64.8	-55.2	0	0	0	113.6	Y405 S447 F448 I449 E453 D454	Y405-F451 HydrophobicContact CE1-CB 4.14Å; Y405-F451 HydrophobicContact CE1-CD1 4.03Å; Y405-F451 HydrophobicContact CE1-CD2 4.49Å; Y405-F451 AromaticContact CE1-CG 3.98Å; Y405-F451 HydrophobicContact CE1-CG 3.98Å; Y405-F451 AromaticContact CZ-CD1 3.97Å; Y405-F451 WeakPolarHBondContact OH-CD1 3.31Å; Y405-F451 WeakPolarHBondContact OH-CE1 3.45Å; Y405-F451 WeakPolarHBondContact OH-CZ 3.49Å; S447-F451 WeakPolarHBondContact O-CD2 3.18Å; S447-F451 WeakPolarHBondContact O-CE2 3.43Å; S447-F451 WeakPolarHBondContact O-CG 3.35Å; S447-F451 PolarHBondContact O-N 3.16Å; F448-F451 PolarHBondContact O-N 3.18Å; I449-F451 PolarHBondContact O-N 3.37Å; F451-E453 VanDerWaalsContact C-N 3.26Å; F451-E453 PolarHBondContact O-N 2.99Å; F451-D454 PolarHBondContact O-N 3.11Å
452	A	46.5	Very low	52.7	Low	22 Å²	22	62.1 Å²	62.1	18%	0.182	35%	0.354	C	S	.	.	H	α-helix	trans	-65.4	-30.8	177.8	0	0	0	0	0	112.1	F448 I449 D454 F455 Y456	F448-A452 PolarHBondContact O-N 2.64Å; I449-A452 PolarHBondContact O-N 3.21Å; A452-D454 PolarHBondContact O-N 3.48Å; A452-F455 PolarHBondContact O-N 3.17Å; A452-F455 VanDerWaalsContact O-N 3.08Å; A452-Y456 HydrophobicContact CB-CE2 3.98Å; A452-Y456 WeakPolarHBondContact O-CD2 3.37Å; A452-Y456 WeakPolarHBondContact O-CE2 3.32Å
453	E	51.6	Low	55	Low	127 Å²	127	54.6 Å²	54.6	59%	0.593	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-52	-37	176.1	-75.1	-169	162.9	0	0	113.2	F451 F455 Y456	F451-E453 VanDerWaalsContact C-N 3.26Å; F451-E453 PolarHBondContact O-N 2.99Å; E453-F455 PolarHBondContact O-N 3.34Å; E453-Y456 PolarHBondContact O-N 3.4Å
454	D	52.4	Low	57.3	Low	30 Å²	30	53.1 Å²	53.1	16%	0.16	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-70.7	-13	-176.2	-65.5	-31.5	0	0	0	113.2	F451 A452 G463 R470	F451-D454 PolarHBondContact O-N 3.11Å; A452-D454 PolarHBondContact O-N 3.48Å; D454-G463 VanDerWaalsContact O-CA 3.28Å; D454-G463 WeakPolarHBondContact O-CA 3.42Å; D454-R470 IonicContact OD1-NH1 2.7Å; D454-R470 PolarHBondContact OD1-NH1 2.96Å; D454-R470 IonicContact OD2-NH1 3.07Å; D454-R470 PolarHBondContact OD2-NH1 2.84Å
455	F	57.8	Low	59.6	Low	24 Å²	24	48.5 Å²	48.5	11%	0.105	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-104.3	-12.1	180	-68.9	-92.7	0	0	0	113.7	I408 A452 E453 G457 V458 M464 A467	I408-F455 HydrophobicContact CG2-CD1 4.24Å; I408-F455 HydrophobicContact CG2-CD2 4.45Å; I408-F455 HydrophobicContact CG2-CE1 4.17Å; I408-F455 HydrophobicContact CG2-CE2 4.38Å; I408-F455 HydrophobicContact CG2-CG 4.38Å; I408-F455 HydrophobicContact CG2-CZ 4.24Å; A452-F455 PolarHBondContact O-N 3.17Å; A452-F455 VanDerWaalsContact O-N 3.08Å; E453-F455 PolarHBondContact O-N 3.34Å; F455-G457 PolarHBondContact O-N 2.91Å; F455-G457 VanDerWaalsContact O-N 3.09Å; F455-V458 PolarHBondContact O-N 3.25Å; F455-M464 HydrophobicContact CE1-CB 4.35Å; F455-M464 HydrophobicContact CZ-CB 4.35Å; F455-A467 HydrophobicContact CE2-CB 4.34Å
456	Y	56.1	Low	62.1	Low	116 Å²	116	47.1 Å²	47.1	46%	0.455	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	111.3	-177.4	-77.9	-83.3	0	0	0	112	A452 E453 V458	A452-Y456 HydrophobicContact CB-CE2 3.98Å; A452-Y456 WeakPolarHBondContact O-CD2 3.37Å; A452-Y456 WeakPolarHBondContact O-CE2 3.32Å; E453-Y456 PolarHBondContact O-N 3.4Å; Y456-V458 PolarHBondContact O-N 2.87Å
457	G	61.3	Low	64.4	Low	91 Å²	91	42.5 Å²	42.5	94%	0.938	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.7	6.2	176.4	0	0	0	0	0	114.4	F455	F455-G457 PolarHBondContact O-N 2.91Å; F455-G457 VanDerWaalsContact O-N 3.09Å
458	V	67.3	Low	66.6	Low	42 Å²	42	41.4 Å²	41.4	26%	0.255	23%	0.231	S	C	.	.	S	Bend	trans	-104.9	138	179.9	-176.7	0	0	0	0	108.8	F455 Y456 V462	F455-V458 PolarHBondContact O-N 3.25Å; Y456-V458 PolarHBondContact O-N 2.87Å; V458-V462 HydrophobicContact CG1-CB 3.63Å; V458-V462 HydrophobicContact CG1-CG1 3.64Å
459	P	75.2	Confident	69.1	Low	36 Å²	36	38.8 Å²	38.8	23%	0.234	22%	0.22	C	C	.	.			trans	-54.1	140.8	174.2	-24.3	31.8	0	0	0	111.8	M461 V462 G463 H550	P459-M461 VanDerWaalsContact C-N 3.25Å; P459-M461 PolarHBondContact O-N 3.48Å; P459-M461 VanDerWaalsContact O-N 3.11Å; P459-V462 HydrophobicContact CB-CG2 4.28Å; P459-V462 HydrophobicContact CG-CG2 4.4Å; P459-V462 PolarHBondContact O-N 2.94Å; P459-G463 PolarHBondContact O-N 3Å; P459-H550 VanDerWaalsContact CG-CE1 3.46Å; P459-H550 WeakPolarHBondContact CG-CE1 3.28Å; P459-H550 VanDerWaalsContact CG-NE2 3.29Å; P459-H550 WeakPolarHBondContact CG-NE2 3.4Å
460	P	74.9	Confident	71.2	Confident	39 Å²	39	37.2 Å²	37.2	25%	0.253	21%	0.207	S	C	.	.	H	α-helix	trans	-52.7	-41.2	-172.9	-28.3	33.7	0	0	0	113.9	S409 D412 M413 V462 M464	S409-P460 WeakPolarHBondContact OG-CB 3.35Å; D412-P460 HydrophobicContact CB-CG 4.14Å; M413-P460 HydrophobicContact CG-CB 4.08Å; M413-P460 HydrophobicContact CG-CG 4.08Å; P460-V462 PolarHBondContact O-N 3.12Å; P460-M464 VanDerWaalsContact O-CB 3.3Å; P460-M464 WeakPolarHBondContact O-CB 3.35Å; P460-M464 PolarHBondContact O-N 3.24Å
461	M	82.9	Confident	73.3	Confident	7 Å²	7	33 Å²	33	3%	0.034	19%	0.185	C	C	.	.	H	α-helix	trans	-57	-49.1	175	-178.9	-161.3	-164.3	0	0	112.6	P459 V465 V534 A537 F538 H550 L551	P459-M461 VanDerWaalsContact C-N 3.25Å; P459-M461 PolarHBondContact O-N 3.48Å; P459-M461 VanDerWaalsContact O-N 3.11Å; M461-V465 WeakPolarHBondContact O-CG2 3.27Å; M461-V465 PolarHBondContact O-N 3.19Å; M461-V534 HydrophobicContact CE-CB 3.95Å; M461-V534 HydrophobicContact CE-CG1 3.63Å; M461-V534 HydrophobicContact CE-CG2 3.63Å; M461-V534 HydrophobicContact CG-CG2 4.5Å; M461-A537 HydrophobicContact CB-CB 4.45Å; M461-A537 HydrophobicContact CG-CB 4.43Å; M461-A537 HydrophobicContact SD-CB 4.36Å; M461-F538 HydrophobicContact CE-CE2 3.94Å; M461-H550 HydrophobicContact SD-CB 4.12Å; M461-L551 HydrophobicContact CE-CB 3.94Å; M461-L551 HydrophobicContact CE-CD1 3.77Å; M461-L551 HydrophobicContact CE-CG 4.4Å
462	V	83.7	Confident	75.2	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-71.8	-44.5	-177.4	-179.8	0	0	0	0	110.4	V458 P459 P460 M464 V465 K466 H550 E553	V458-V462 HydrophobicContact CG1-CB 3.63Å; V458-V462 HydrophobicContact CG1-CG1 3.64Å; P459-V462 HydrophobicContact CB-CG2 4.28Å; P459-V462 HydrophobicContact CG-CG2 4.4Å; P459-V462 PolarHBondContact O-N 2.94Å; P460-V462 PolarHBondContact O-N 3.12Å; V462-M464 VanDerWaalsContact C-N 3.28Å; V462-M464 PolarHBondContact O-N 3.33Å; V462-V465 PolarHBondContact O-N 3.49Å; V462-K466 HydrophobicContact CG1-CD 4.1Å; V462-K466 HydrophobicContact CG1-CG 4.42Å; V462-K466 WeakPolarHBondContact O-CB 3.48Å; V462-K466 WeakPolarHBondContact O-CG 3.38Å; V462-K466 PolarHBondContact O-N 3.26Å; V462-H550 HydrophobicContact CG2-CB 3.65Å; V462-E553 HydrophobicContact CG1-CG 4.19Å
463	G	82.6	Confident	77.2	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.2	-42.9	177.8	0	0	0	0	0	111.4	D454 P459 K466 A467	D454-G463 VanDerWaalsContact O-CA 3.28Å; D454-G463 WeakPolarHBondContact O-CA 3.42Å; P459-G463 PolarHBondContact O-N 3Å; G463-K466 PolarHBondContact O-N 2.91Å; G463-A467 WeakPolarHBondContact O-CB 3.33Å; G463-A467 PolarHBondContact O-N 2.85Å
464	M	84.6	Confident	78.8	Confident	2 Å²	2	29.5 Å²	29.5	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-69.2	-44.1	176.8	-166.9	-147.8	62.1	0	0	113	F455 P460 V462 K466 A467 V468 I533	F455-M464 HydrophobicContact CE1-CB 4.35Å; F455-M464 HydrophobicContact CZ-CB 4.35Å; P460-M464 VanDerWaalsContact O-CB 3.3Å; P460-M464 WeakPolarHBondContact O-CB 3.35Å; P460-M464 PolarHBondContact O-N 3.24Å; V462-M464 VanDerWaalsContact C-N 3.28Å; V462-M464 PolarHBondContact O-N 3.33Å; M464-K466 VanDerWaalsContact C-N 3.28Å; M464-K466 PolarHBondContact O-N 3.18Å; M464-A467 PolarHBondContact O-N 2.99Å; M464-V468 HydrophobicContact CG-CG2 4.4Å; M464-V468 WeakPolarHBondContact O-CG2 3.49Å; M464-V468 PolarHBondContact O-N 3.25Å; M464-I533 HydrophobicContact CE-CB 3.44Å; M464-I533 VanDerWaalsContact CE-CB 3.44Å; M464-I533 HydrophobicContact CE-CD1 3.68Å; M464-I533 HydrophobicContact CE-CG1 3.71Å; M464-I533 HydrophobicContact CE-CG2 3.54Å; M464-I533 HydrophobicContact SD-CB 3.77Å; M464-I533 HydrophobicContact SD-CD1 3.14Å; M464-I533 WeakPolarHBondContact SD-CD1 3.34Å; M464-I533 HydrophobicContact SD-CG1 3.28Å; M464-I533 WeakPolarHBondContact SD-CG1 3.5Å; M464-I533 HydrophobicContact SD-CG2 3.89Å
465	V	87	Confident	80.4	Confident	2 Å²	2	29.6 Å²	29.6	1%	0.012	17%	0.172	C	C	.	.	H	α-helix	trans	-59.6	-41.6	176.1	167	0	0	0	0	110.8	M461 V462 V468 C469 M530 C554	M461-V465 WeakPolarHBondContact O-CG2 3.27Å; M461-V465 PolarHBondContact O-N 3.19Å; V462-V465 PolarHBondContact O-N 3.49Å; V465-V468 PolarHBondContact O-N 2.87Å; V465-C469 WeakPolarHBondContact O-CB 3.4Å; V465-C469 PolarHBondContact O-N 3.21Å; V465-C469 PolarHBondContact O-SG 2.91Å; V465-M530 HydrophobicContact CB-CE 4.47Å; V465-M530 HydrophobicContact CG1-CE 3.83Å; V465-M530 HydrophobicContact CG2-CE 4.27Å; V465-C554 HydrophobicContact CB-CB 4.2Å; V465-C554 HydrophobicContact CG1-CB 3.91Å; V465-C554 HydrophobicContact CG2-CB 4.1Å
466	K	87.4	Confident	81.8	Confident	47 Å²	47	28.5 Å²	28.5	20%	0.204	17%	0.167	C	C	.	.	H	α-helix	trans	-61.6	-47.1	173.6	-75	-179.8	-180	175.7	0	111.6	V462 G463 M464 V468 C469 R470 E553 E557	V462-K466 HydrophobicContact CG1-CD 4.1Å; V462-K466 HydrophobicContact CG1-CG 4.42Å; V462-K466 WeakPolarHBondContact O-CB 3.48Å; V462-K466 WeakPolarHBondContact O-CG 3.38Å; V462-K466 PolarHBondContact O-N 3.26Å; G463-K466 PolarHBondContact O-N 2.91Å; M464-K466 VanDerWaalsContact C-N 3.28Å; M464-K466 PolarHBondContact O-N 3.18Å; K466-V468 VanDerWaalsContact C-N 3.35Å; K466-V468 PolarHBondContact O-N 2.89Å; K466-C469 PolarHBondContact O-N 3.21Å; K466-R470 WeakPolarHBondContact O-CB 3.47Å; K466-R470 PolarHBondContact O-N 3.49Å; K466-E553 WeakPolarHBondContact CE-OE1 3.38Å; K466-E553 IonicContact NZ-OE1 3.76Å; K466-E553 PolarHBondContact NZ-OE1 3.26Å; K466-E557 HydrophobicContact CD-CG 4.36Å; K466-E557 WeakPolarHBondContact CE-OE1 3.28Å; K466-E557 HydrophobicContact CG-CB 4.42Å; K466-E557 HydrophobicContact CG-CG 3.85Å; K466-E557 IonicContact NZ-OE1 2.65Å
467	A	85.4	Confident	83.3	Confident	1 Å²	1	24.8 Å²	24.8	1%	0.008	16%	0.155	C	C	.	.	H	α-helix	trans	-60.2	-42	177.3	0	0	0	0	0	112.4	Y405 F455 G463 M464 R470 L471	Y405-A467 HydrophobicContact CD1-CB 4.2Å; Y405-A467 HydrophobicContact CD2-CB 4.33Å; Y405-A467 HydrophobicContact CE1-CB 4.24Å; Y405-A467 HydrophobicContact CE2-CB 4.34Å; Y405-A467 HydrophobicContact CG-CB 4.27Å; F455-A467 HydrophobicContact CE2-CB 4.34Å; G463-A467 WeakPolarHBondContact O-CB 3.33Å; G463-A467 PolarHBondContact O-N 2.85Å; M464-A467 PolarHBondContact O-N 2.99Å; A467-R470 PolarHBondContact O-N 3.05Å; A467-L471 WeakPolarHBondContact O-CB 3.49Å; A467-L471 PolarHBondContact O-N 2.9Å
468	V	89.5	Confident	84.5	Confident	2 Å²	2	22.7 Å²	22.7	1%	0.012	12%	0.12	C	C	.	.	H	α-helix	trans	-68.4	-41.3	176.2	177	0	0	0	0	111.5	L402 Y405 M464 V465 K466 R470 L471 L472 V526 M530	L402-V468 HydrophobicContact CD2-CG1 4.07Å; L402-V468 HydrophobicContact CD2-CG2 3.92Å; Y405-V468 HydrophobicContact CD2-CG2 4.4Å; M464-V468 HydrophobicContact CG-CG2 4.4Å; M464-V468 WeakPolarHBondContact O-CG2 3.49Å; M464-V468 PolarHBondContact O-N 3.25Å; V465-V468 PolarHBondContact O-N 2.87Å; K466-V468 VanDerWaalsContact C-N 3.35Å; K466-V468 PolarHBondContact O-N 2.89Å; V468-R470 VanDerWaalsContact C-N 3.3Å; V468-R470 PolarHBondContact O-N 3.3Å; V468-L471 WeakPolarHBondContact O-CB 3.4Å; V468-L471 PolarHBondContact O-N 3.18Å; V468-L472 HydrophobicContact CG1-CD1 4.38Å; V468-L472 WeakPolarHBondContact O-CB 3.38Å; V468-L472 WeakPolarHBondContact O-CG 3.12Å; V468-L472 PolarHBondContact O-N 3Å; V468-V526 HydrophobicContact CG1-CG1 3.6Å; V468-M530 HydrophobicContact CB-CG 4.16Å; V468-M530 HydrophobicContact CB-SD 4.29Å; V468-M530 HydrophobicContact CG1-CG 3.65Å; V468-M530 HydrophobicContact CG1-SD 3.56Å; V468-M530 VanDerWaalsContact CG1-SD 3.56Å; V468-M530 HydrophobicContact CG2-CG 4.38Å
469	C	89.5	Confident	85.5	Confident	7 Å²	7	20.7 Å²	20.7	5%	0.047	11%	0.108	C	C	.	.	H	α-helix	trans	-62.9	-37.7	174.3	-71.9	0	0	0	0	111.9	V465 K466 L472 T473 C561	V465-C469 WeakPolarHBondContact O-CB 3.4Å; V465-C469 PolarHBondContact O-N 3.21Å; V465-C469 PolarHBondContact O-SG 2.91Å; K466-C469 PolarHBondContact O-N 3.21Å; C469-L472 WeakPolarHBondContact O-CB 3.28Å; C469-L472 PolarHBondContact O-N 3.35Å; C469-T473 WeakPolarHBondContact O-CG2 3.35Å; C469-T473 PolarHBondContact O-N 2.88Å; C469-T473 PolarHBondContact O-OG1 2.85Å; C469-C561 HydrophobicContact CB-CB 3.71Å
470	R	88.1	Confident	86.2	Confident	74 Å²	74	19.2 Å²	19.2	28%	0.279	10%	0.098	S	C	.	.	H	α-helix	trans	-65.5	-46.3	172.9	-171.4	175.6	-178.5	174.5	-1.2	111.2	L450 D454 K466 A467 V468 L472 T473 T474	L450-R470 PolarHBondContact O-NH1 3.07Å; D454-R470 IonicContact OD1-NH1 2.7Å; D454-R470 PolarHBondContact OD1-NH1 2.96Å; D454-R470 IonicContact OD2-NH1 3.07Å; D454-R470 PolarHBondContact OD2-NH1 2.84Å; K466-R470 WeakPolarHBondContact O-CB 3.47Å; K466-R470 PolarHBondContact O-N 3.49Å; A467-R470 PolarHBondContact O-N 3.05Å; V468-R470 VanDerWaalsContact C-N 3.3Å; V468-R470 PolarHBondContact O-N 3.3Å; R470-L472 VanDerWaalsContact C-N 3.28Å; R470-L472 PolarHBondContact O-N 3.43Å; R470-T473 WeakPolarHBondContact CA-OG1 3.44Å; R470-T473 PolarHBondContact O-N 3.27Å; R470-T473 PolarHBondContact O-OG1 3.23Å; R470-T473 VanDerWaalsContact O-OG1 3.07Å; R470-T474 HydrophobicContact CG-CG2 4.26Å; R470-T474 WeakPolarHBondContact O-CG2 3.33Å; R470-T474 PolarHBondContact O-N 3.34Å; R470-T474 PolarHBondContact O-OG1 2.9Å
471	L	88.3	Confident	86.7	Confident	1 Å²	1	23 Å²	23	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-56.3	-43.4	174.9	-174	72.5	0	0	0	111.6	W397 L398 Q401 L402 Y405 A467 V468 H475 V476	W397-L471 HydrophobicContact CZ3-CD1 4.36Å; L398-L471 HydrophobicContact CD2-CD1 3.75Å; L398-L471 HydrophobicContact CD2-CD2 4.19Å; L398-L471 HydrophobicContact CD2-CG 3.97Å; Q401-L471 HydrophobicContact CB-CD1 4.23Å; Q401-L471 HydrophobicContact CB-CD2 4.3Å; Q401-L471 HydrophobicContact CG-CD1 4.45Å; L402-L471 HydrophobicContact CD2-CD2 3.69Å; L402-L471 HydrophobicContact CG-CD2 3.94Å; Y405-L471 HydrophobicContact CE2-CB 4.25Å; Y405-L471 HydrophobicContact CE2-CD1 4.5Å; Y405-L471 HydrophobicContact CE2-CD2 4.1Å; A467-L471 WeakPolarHBondContact O-CB 3.49Å; A467-L471 PolarHBondContact O-N 2.9Å; V468-L471 WeakPolarHBondContact O-CB 3.4Å; V468-L471 PolarHBondContact O-N 3.18Å; L471-H475 HydrophobicContact CD1-CB 4.16Å; L471-H475 PolarHBondContact O-N 3.41Å; L471-V476 PolarHBondContact O-N 2.98Å
472	L	88.3	Confident	86.7	Confident	2 Å²	2	22.8 Å²	22.8	1%	0.01	11%	0.106	C	C	.	.	I	π-helix	trans	-59.8	-49.7	175.8	-82.4	168.2	0	0	0	111.6	V468 C469 R470 V476 I477 V526 L565 F578	V468-L472 HydrophobicContact CG1-CD1 4.38Å; V468-L472 WeakPolarHBondContact O-CB 3.38Å; V468-L472 WeakPolarHBondContact O-CG 3.12Å; V468-L472 PolarHBondContact O-N 3Å; C469-L472 WeakPolarHBondContact O-CB 3.28Å; C469-L472 PolarHBondContact O-N 3.35Å; R470-L472 VanDerWaalsContact C-N 3.28Å; R470-L472 PolarHBondContact O-N 3.43Å; L472-V476 HydrophobicContact CD2-CB 4.12Å; L472-V476 HydrophobicContact CD2-CG1 4.14Å; L472-V476 HydrophobicContact CD2-CG2 4.01Å; L472-V476 WeakPolarHBondContact O-CB 3.49Å; L472-I477 PolarHBondContact O-N 2.84Å; L472-V526 HydrophobicContact CD1-CG1 3.92Å; L472-V526 HydrophobicContact CD2-CG1 4.1Å; L472-V526 HydrophobicContact CG-CG1 4.09Å; L472-L565 HydrophobicContact CB-CD2 4.3Å; L472-F578 HydrophobicContact CD1-CE1 4.36Å; L472-F578 HydrophobicContact CD2-CE1 4.37Å; L472-F578 HydrophobicContact CD2-CZ 4.1Å
473	T	86.7	Confident	86.7	Confident	44 Å²	44	22.8 Å²	22.8	27%	0.27	11%	0.106	S	C	.	.	I	π-helix	trans	-76.7	-26.1	-174.7	51.7	0	0	0	0	114.1	C469 R470 I477 C561 S564	C469-T473 WeakPolarHBondContact O-CG2 3.35Å; C469-T473 PolarHBondContact O-N 2.88Å; C469-T473 PolarHBondContact O-OG1 2.85Å; R470-T473 WeakPolarHBondContact CA-OG1 3.44Å; R470-T473 PolarHBondContact O-N 3.27Å; R470-T473 PolarHBondContact O-OG1 3.23Å; R470-T473 VanDerWaalsContact O-OG1 3.07Å; T473-I477 WeakPolarHBondContact O-CD1 3.49Å; T473-C561 HydrophobicContact CG2-CB 4.47Å; T473-S564 WeakPolarHBondContact CG2-OG 3.14Å
474	T	85.3	Confident	86.8	Confident	53 Å²	53	25.5 Å²	25.5	33%	0.325	12%	0.123	S	C	.	.	I	π-helix	trans	-97.2	-51.3	-179.5	60.8	0	0	0	0	113	R470 Q478	R470-T474 HydrophobicContact CG-CG2 4.26Å; R470-T474 WeakPolarHBondContact O-CG2 3.33Å; R470-T474 PolarHBondContact O-N 3.34Å; R470-T474 PolarHBondContact O-OG1 2.9Å; T474-Q478 WeakPolarHBondContact O-CG 2.96Å; T474-Q478 PolarHBondContact O-NE2 3.39Å
475	H	86.9	Confident	86.6	Confident	31 Å²	31	25.5 Å²	25.5	14%	0.144	12%	0.123	C	C	.	.	I	π-helix	trans	-103.3	-37	-168.3	-66.9	-68.3	0	0	0	113.2	F394 W397 L398 L471 I477 Q478 F479	F394-H475 HydrophobicContact CE2-CB 4.4Å; F394-H475 WeakPolarHBondContact CZ-O 3.47Å; W397-H475 AromaticContact CH2-CD2 3.91Å; W397-H475 AromaticContact CH2-CE1 3.96Å; W397-H475 AromaticContact CH2-CG 3.92Å; W397-H475 AromaticContact CH2-ND1 3.95Å; W397-H475 AromaticContact CH2-NE2 3.95Å; W397-H475 HydrophobicContact CZ3-CB 4.08Å; W397-H475 AromaticContact CZ3-CG 3.89Å; L398-H475 HydrophobicContact CD2-CB 3.91Å; L471-H475 HydrophobicContact CD1-CB 4.16Å; L471-H475 PolarHBondContact O-N 3.41Å; H475-I477 VanDerWaalsContact C-N 3.33Å; H475-I477 PolarHBondContact O-N 3.24Å; H475-Q478 WeakPolarHBondContact O-CB 3.36Å; H475-Q478 PolarHBondContact O-N 3.44Å; H475-Q478 VanDerWaalsContact O-N 3.13Å; H475-F479 PolarHBondContact O-N 3.38Å
476	V	87.6	Confident	86.3	Confident	2 Å²	2	26.1 Å²	26.1	1%	0.012	13%	0.125	C	C	.	.	I	π-helix	trans	-68.9	-34.3	178.7	-179.7	0	0	0	0	111.2	L398 L471 L472 Q478 F479 W480 L522	L398-V476 HydrophobicContact CD1-CG2 4.16Å; L398-V476 HydrophobicContact CD2-CG2 4.15Å; L471-V476 PolarHBondContact O-N 2.98Å; L472-V476 HydrophobicContact CD2-CB 4.12Å; L472-V476 HydrophobicContact CD2-CG1 4.14Å; L472-V476 HydrophobicContact CD2-CG2 4.01Å; L472-V476 WeakPolarHBondContact O-CB 3.49Å; V476-Q478 VanDerWaalsContact C-N 3.27Å; V476-Q478 PolarHBondContact O-N 3.3Å; V476-F479 WeakPolarHBondContact O-CB 3.47Å; V476-F479 PolarHBondContact O-N 3.24Å; V476-W480 HydrophobicContact CG1-CD2 4.06Å; V476-W480 HydrophobicContact CG1-CH2 4.22Å; V476-W480 HydrophobicContact CG1-CZ2 3.72Å; V476-W480 PolarHBondContact O-N 3.05Å; V476-L522 HydrophobicContact CG1-CD2 4.27Å
477	I	87.2	Confident	86	Confident	38 Å²	38	26 Å²	26	20%	0.195	13%	0.127	C	C	.	.	H	α-helix	trans	-57.8	-42	170.1	-61	-173.1	0	0	0	111.1	L472 T473 H475 W480 R481 L565	L472-I477 PolarHBondContact O-N 2.84Å; T473-I477 WeakPolarHBondContact O-CD1 3.49Å; H475-I477 VanDerWaalsContact C-N 3.33Å; H475-I477 PolarHBondContact O-N 3.24Å; I477-W480 PolarHBondContact O-N 3.08Å; I477-R481 WeakPolarHBondContact O-CG 3.26Å; I477-R481 PolarHBondContact O-N 3.38Å; I477-L565 HydrophobicContact CD1-CD2 4.16Å; I477-L565 HydrophobicContact CG1-CD2 3.91Å
478	Q	86.2	Confident	85.6	Confident	46 Å²	46	29.3 Å²	29.3	22%	0.215	15%	0.15	C	C	.	.	H	α-helix	trans	-65	-42.2	176.9	-68	-180	48.1	0	0	111.7	I365 C367 F394 T474 H475 V476 W480 R481 L482	I365-Q478 PolarHBondContact O-OE1 2.84Å; C367-Q478 VanDerWaalsContact SG-CA 3.58Å; C367-Q478 VanDerWaalsContact SG-CB 3.5Å; C367-Q478 PolarHBondContact SG-O 3.24Å; F394-Q478 HydrophobicContact CE1-CB 4.39Å; F394-Q478 HydrophobicContact CZ-CB 4.15Å; T474-Q478 WeakPolarHBondContact O-CG 2.96Å; T474-Q478 PolarHBondContact O-NE2 3.39Å; H475-Q478 WeakPolarHBondContact O-CB 3.36Å; H475-Q478 PolarHBondContact O-N 3.44Å; H475-Q478 VanDerWaalsContact O-N 3.13Å; V476-Q478 VanDerWaalsContact C-N 3.27Å; V476-Q478 PolarHBondContact O-N 3.3Å; Q478-W480 VanDerWaalsContact C-N 3.34Å; Q478-W480 PolarHBondContact O-N 3.27Å; Q478-R481 PolarHBondContact O-N 3.37Å; Q478-L482 PolarHBondContact O-N 2.95Å
479	F	89.3	Confident	84.6	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-57.7	-44.5	173.5	176.8	-105.4	0	0	0	112.2	L391 F394 K395 L398 H475 V476 L482 G483 I518 L522	L391-F479 HydrophobicContact CB-CE2 4.42Å; L391-F479 HydrophobicContact CD2-CD2 4.19Å; L391-F479 HydrophobicContact CD2-CE2 3.96Å; F394-F479 HydrophobicContact CB-CD2 3.95Å; F394-F479 HydrophobicContact CB-CE2 4.37Å; F394-F479 HydrophobicContact CD1-CD2 4.46Å; F394-F479 HydrophobicContact CD2-CB 4.02Å; F394-F479 AromaticContact CD2-CD2 3.91Å; F394-F479 HydrophobicContact CD2-CD2 3.91Å; F394-F479 HydrophobicContact CD2-CG 4.35Å; F394-F479 HydrophobicContact CE2-CB 3.91Å; F394-F479 HydrophobicContact CG-CB 4.45Å; F394-F479 AromaticContact CG-CD2 3.85Å; F394-F479 HydrophobicContact CG-CD2 3.85Å; F394-F479 HydrophobicContact CZ-CB 4.16Å; K395-F479 HydrophobicContact CB-CE2 4.28Å; K395-F479 HydrophobicContact CB-CZ 4.41Å; L398-F479 HydrophobicContact CD1-CB 4.15Å; L398-F479 HydrophobicContact CD1-CG 4.2Å; H475-F479 PolarHBondContact O-N 3.38Å; V476-F479 WeakPolarHBondContact O-CB 3.47Å; V476-F479 PolarHBondContact O-N 3.24Å; F479-L482 PolarHBondContact O-N 3.31Å; F479-G483 PolarHBondContact O-N 2.71Å; F479-I518 HydrophobicContact CE2-CD1 4.24Å; F479-I518 HydrophobicContact CZ-CD1 3.76Å; F479-I518 HydrophobicContact CZ-CG1 4.14Å; F479-L522 HydrophobicContact CD1-CD2 3.52Å; F479-L522 HydrophobicContact CE1-CD2 3.56Å; F479-L522 HydrophobicContact CG-CD2 4.27Å; F479-L522 HydrophobicContact CZ-CD2 4.32Å
480	W	88.5	Confident	83.4	Confident	5 Å²	5	37.3 Å²	37.3	2%	0.019	20%	0.195	C	C	.	.	H	α-helix	trans	-65.7	-38.4	175.3	-68.1	-24.2	0	0	0	112.9	V476 I477 Q478 L482 G483 T484 N519 V523 L565 P566 L567 M570 F578	V476-W480 HydrophobicContact CG1-CD2 4.06Å; V476-W480 HydrophobicContact CG1-CH2 4.22Å; V476-W480 HydrophobicContact CG1-CZ2 3.72Å; V476-W480 PolarHBondContact O-N 3.05Å; I477-W480 PolarHBondContact O-N 3.08Å; Q478-W480 VanDerWaalsContact C-N 3.34Å; Q478-W480 PolarHBondContact O-N 3.27Å; W480-L482 VanDerWaalsContact C-N 3.33Å; W480-L482 PolarHBondContact O-N 2.9Å; W480-G483 PolarHBondContact O-N 3.42Å; W480-T484 WeakPolarHBondContact O-CB 3.37Å; W480-T484 WeakPolarHBondContact O-CG2 3.33Å; W480-T484 PolarHBondContact O-N 2.94Å; W480-T484 PolarHBondContact O-OG1 2.93Å; W480-N519 PolarHBondContact NE1-ND2 2.95Å; W480-N519 PolarHBondContact NE1-OD1 3.34Å; W480-V523 HydrophobicContact CZ2-CG2 4.24Å; W480-L565 HydrophobicContact CH2-CD2 4.21Å; W480-L565 HydrophobicContact CZ3-CB 4.35Å; W480-L565 HydrophobicContact CZ3-CD2 3.83Å; W480-P566 HydrophobicContact CE3-CG 4.16Å; W480-P566 HydrophobicContact CZ3-CG 4.41Å; W480-L567 HydrophobicContact CH2-CD2 4.17Å; W480-M570 HydrophobicContact CD2-SD 4.01Å; W480-M570 HydrophobicContact CE3-SD 4.29Å; W480-M570 HydrophobicContact CG-SD 4.13Å; W480-F578 HydrophobicContact CH2-CE2 4.17Å; W480-F578 HydrophobicContact CH2-CZ 4.4Å; W480-F578 HydrophobicContact CZ2-CE2 4.39Å
481	R	86.5	Confident	82	Confident	119 Å²	119	34.3 Å²	34.3	45%	0.449	19%	0.185	S	C	.	.	H	α-helix	trans	-64.6	-35	174.9	-72.5	177.7	72.1	-164.7	-2.2	112.9	I477 Q478 T484 A485	I477-R481 WeakPolarHBondContact O-CG 3.26Å; I477-R481 PolarHBondContact O-N 3.38Å; Q478-R481 PolarHBondContact O-N 3.37Å; R481-T484 WeakPolarHBondContact CA-OG1 3.37Å; R481-T484 PolarHBondContact O-OG1 3.14Å; R481-T484 VanDerWaalsContact O-OG1 3.08Å; R481-A485 WeakPolarHBondContact O-CB 3.41Å; R481-A485 PolarHBondContact O-N 3.41Å
482	L	82.6	Confident	80.5	Confident	3 Å²	3	37.1 Å²	37.1	2%	0.016	20%	0.2	C	C	.	.	H	α-helix	trans	-72.8	-42	173.5	-73.3	171	0	0	0	111.5	C367 A370 R371 L391 F394 Q478 F479 W480 A485 Y486	C367-L482 HydrophobicContact CB-CD2 4.45Å; A370-L482 HydrophobicContact CB-CD1 4.4Å; A370-L482 HydrophobicContact CB-CD2 3.98Å; R371-L482 HydrophobicContact CG-CD2 4.46Å; L391-L482 HydrophobicContact CD2-CB 3.9Å; F394-L482 HydrophobicContact CD1-CD1 3.84Å; F394-L482 HydrophobicContact CE1-CD1 3.89Å; Q478-L482 PolarHBondContact O-N 2.95Å; F479-L482 PolarHBondContact O-N 3.31Å; W480-L482 VanDerWaalsContact C-N 3.33Å; W480-L482 PolarHBondContact O-N 2.9Å; L482-A485 PolarHBondContact O-N 3.48Å; L482-Y486 WeakPolarHBondContact O-CB 3.29Å; L482-Y486 PolarHBondContact O-N 2.92Å
483	G	83.9	Confident	78.9	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.7	-42.8	178.7	0	0	0	0	0	113.9	F479 W480 Y486 I487	F479-G483 PolarHBondContact O-N 2.71Å; W480-G483 PolarHBondContact O-N 3.42Å; G483-Y486 WeakPolarHBondContact O-CB 3.44Å; G483-Y486 PolarHBondContact O-N 3.45Å; G483-I487 PolarHBondContact O-N 3.28Å
484	T	83.7	Confident	77.1	Confident	56 Å²	56	44 Å²	44	34%	0.344	23%	0.232	S	C	.	.	H	α-helix	trans	-64.3	-41	173.1	49	0	0	0	0	111.6	W480 R481 Y486 I487 S488	W480-T484 WeakPolarHBondContact O-CB 3.37Å; W480-T484 WeakPolarHBondContact O-CG2 3.33Å; W480-T484 PolarHBondContact O-N 2.94Å; W480-T484 PolarHBondContact O-OG1 2.93Å; R481-T484 WeakPolarHBondContact CA-OG1 3.37Å; R481-T484 PolarHBondContact O-OG1 3.14Å; R481-T484 VanDerWaalsContact O-OG1 3.08Å; T484-Y486 VanDerWaalsContact C-N 3.31Å; T484-Y486 PolarHBondContact O-N 2.84Å; T484-I487 PolarHBondContact O-N 3.37Å; T484-S488 WeakPolarHBondContact O-CB 3.46Å; T484-S488 PolarHBondContact O-N 3.2Å; T484-S488 PolarHBondContact O-OG 3.27Å
485	A	80.7	Confident	75.2	Confident	2 Å²	2	44.7 Å²	44.7	2%	0.017	23%	0.234	C	C	.	.	H	α-helix	trans	-61.9	-38.1	173	0	0	0	0	0	112.1	R481 L482 S488 Q490 L491	R481-A485 WeakPolarHBondContact O-CB 3.41Å; R481-A485 PolarHBondContact O-N 3.41Å; L482-A485 PolarHBondContact O-N 3.48Å; A485-S488 WeakPolarHBondContact CA-OG 3.43Å; A485-S488 PolarHBondContact O-N 3.37Å; A485-S488 PolarHBondContact O-OG 2.99Å; A485-Q490 PolarHBondContact O-N 3.34Å; A485-L491 HydrophobicContact CB-CD1 3.95Å; A485-L491 HydrophobicContact CB-CG 4.15Å
486	Y	81.5	Confident	72.9	Confident	15 Å²	15	51.7 Å²	51.7	6%	0.059	27%	0.267	C	S	.	.	H	α-helix	trans	-62.6	-51.4	175.1	-176.6	-103.1	0	0	0	112.1	D385 W388 L391 L482 G483 T484 S488 G489 L491 P511	D385-Y486 WeakPolarHBondContact OD2-CE2 3.39Å; D385-Y486 VanDerWaalsContact OD2-CZ 3.31Å; D385-Y486 PolarHBondContact OD2-OH 3.23Å; W388-Y486 HydrophobicContact CB-CE2 4.24Å; W388-Y486 HydrophobicContact CE3-CD1 4.44Å; W388-Y486 AromaticContact CE3-CE1 3.76Å; W388-Y486 HydrophobicContact CE3-CE1 3.76Å; W388-Y486 AromaticContact CE3-CZ 3.97Å; W388-Y486 HydrophobicContact CZ3-CE1 4.28Å; L391-Y486 HydrophobicContact CD1-CD1 3.97Å; L391-Y486 HydrophobicContact CD1-CD2 4.32Å; L391-Y486 HydrophobicContact CD1-CG 3.78Å; L482-Y486 WeakPolarHBondContact O-CB 3.29Å; L482-Y486 PolarHBondContact O-N 2.92Å; G483-Y486 WeakPolarHBondContact O-CB 3.44Å; G483-Y486 PolarHBondContact O-N 3.45Å; T484-Y486 VanDerWaalsContact C-N 3.31Å; T484-Y486 PolarHBondContact O-N 2.84Å; Y486-S488 VanDerWaalsContact C-N 3.3Å; Y486-S488 PolarHBondContact O-N 2.97Å; Y486-G489 PolarHBondContact O-N 3.34Å; Y486-G489 VanDerWaalsContact O-N 3.15Å; Y486-L491 HydrophobicContact CD2-CB 4.19Å; Y486-P511 HydrophobicContact CE1-CB 3.84Å
487	I	79.7	Confident	70.6	Confident	46 Å²	46	61 Å²	61	24%	0.236	31%	0.307	C	S	.	.	H	α-helix	trans	-61.8	-37.9	177.8	-71.6	165.6	0	0	0	112.4	G483 T484 G489 K512 W515	G483-I487 PolarHBondContact O-N 3.28Å; T484-I487 PolarHBondContact O-N 3.37Å; I487-G489 PolarHBondContact O-N 2.67Å; I487-K512 HydrophobicContact CG1-CG 4.36Å; I487-K512 HydrophobicContact CG2-CD 4.23Å; I487-K512 HydrophobicContact CG2-CG 3.72Å; I487-W515 HydrophobicContact CD1-CB 3.76Å; I487-W515 HydrophobicContact CD1-CD2 3.13Å; I487-W515 HydrophobicContact CD1-CE3 3.17Å; I487-W515 HydrophobicContact CD1-CG 3.39Å; I487-W515 HydrophobicContact CD1-CH2 4.33Å; I487-W515 HydrophobicContact CD1-CZ2 4.34Å; I487-W515 HydrophobicContact CD1-CZ3 3.8Å; I487-W515 HydrophobicContact CG1-CB 4Å; I487-W515 HydrophobicContact CG1-CD2 4.23Å; I487-W515 HydrophobicContact CG1-CG 4Å
488	S	77.2	Confident	68.1	Low	70 Å²	70	63 Å²	63	49%	0.49	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-9.5	-179.4	73.2	0	0	0	0	113.6	T484 A485 Y486 Q490	T484-S488 WeakPolarHBondContact O-CB 3.46Å; T484-S488 PolarHBondContact O-N 3.2Å; T484-S488 PolarHBondContact O-OG 3.27Å; A485-S488 WeakPolarHBondContact CA-OG 3.43Å; A485-S488 PolarHBondContact O-N 3.37Å; A485-S488 PolarHBondContact O-OG 2.99Å; Y486-S488 VanDerWaalsContact C-N 3.3Å; Y486-S488 PolarHBondContact O-N 2.97Å; S488-Q490 VanDerWaalsContact C-N 3.3Å; S488-Q490 VanDerWaalsContact OG-CG 3.24Å; S488-Q490 WeakPolarHBondContact OG-CG 3.12Å; S488-Q490 PolarHBondContact OG-N 3.35Å
489	G	68	Low	65.7	Low	35 Å²	35	69.8 Å²	69.8	36%	0.361	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.2	-7.4	-176.7	0	0	0	0	0	113.7	Y486 I487 L491 N492	Y486-G489 PolarHBondContact O-N 3.34Å; Y486-G489 VanDerWaalsContact O-N 3.15Å; I487-G489 PolarHBondContact O-N 2.67Å; G489-L491 PolarHBondContact O-N 2.86Å; G489-N492 WeakPolarHBondContact O-CB 3.39Å; G489-N492 PolarHBondContact O-N 3.2Å; G489-N492 VanDerWaalsContact O-N 3.1Å
490	Q	64.8	Low	63.2	Low	141 Å²	141	77.4 Å²	77.4	66%	0.659	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-28.6	-178.2	-71.6	174.8	9.2	0	0	113.1	A485 S488	A485-Q490 PolarHBondContact O-N 3.34Å; S488-Q490 VanDerWaalsContact C-N 3.3Å; S488-Q490 VanDerWaalsContact OG-CG 3.24Å; S488-Q490 WeakPolarHBondContact OG-CG 3.12Å; S488-Q490 PolarHBondContact OG-N 3.35Å
491	L	59.5	Low	60.7	Low	11 Å²	11	86.5 Å²	86.5	6%	0.058	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	2.9	178.4	-57.9	176.9	0	0	0	113	R371 I374 A485 Y486 G489	R371-L491 HydrophobicContact CG-CD2 4.05Å; I374-L491 HydrophobicContact CB-CD2 4.24Å; I374-L491 HydrophobicContact CD1-CD1 4.2Å; I374-L491 HydrophobicContact CD1-CD2 4.14Å; I374-L491 HydrophobicContact CG2-CB 4.16Å; I374-L491 HydrophobicContact CG2-CD2 3.84Å; A485-L491 HydrophobicContact CB-CD1 3.95Å; A485-L491 HydrophobicContact CB-CG 4.15Å; Y486-L491 HydrophobicContact CD2-CB 4.19Å; G489-L491 PolarHBondContact O-N 2.86Å
492	N	56.5	Low	58.2	Low	61 Å²	61	88.5 Å²	88.5	33%	0.326	45%	0.449	S	S	.	.			trans	-82.9	139.6	-161	-153.1	9.8	0	0	0	112.7	G489 N494	G489-N492 WeakPolarHBondContact O-CB 3.39Å; G489-N492 PolarHBondContact O-N 3.2Å; G489-N492 VanDerWaalsContact O-N 3.1Å; N492-N494 PolarHBondContact O-N 3.39Å
493	Y	54.9	Low	55.7	Low	43 Å²	43	91.3 Å²	91.3	17%	0.169	48%	0.479	C	S	.	.			trans	-85	95.5	-178.6	-176.8	-99.1	0	0	0	109.7	T378 V382 N495	T378-Y493 HydrophobicContact CG2-CD2 4.47Å; V382-Y493 WeakPolarHBondContact O-CE2 3.38Å; V382-Y493 PolarHBondContact O-OH 2.86Å; Y493-N495 HydrophobicContact CD1-CB 3.76Å; Y493-N495 HydrophobicContact CE1-CB 3.15Å; Y493-N495 HydrophobicContact CE2-CB 4.4Å; Y493-N495 PolarHBondContact O-N 3.25Å; Y493-N495 PolarHBondContact OH-ND2 2.98Å
494	N	49	Very low	53.1	Low	148 Å²	148	100 Å²	100	79%	0.791	52%	0.519	S	S	*	.			trans	-75.6	37.6	-176.9	-79.2	-16	0	0	0	114.8	N492 Q496	N492-N494 PolarHBondContact O-N 3.39Å; N494-Q496 PolarHBondContact O-N 3.45Å
495	N	45	Very low	50.8	Low	66 Å²	66	103.2 Å²	103.2	35%	0.353	54%	0.539	S	S	.	.			trans	-101.3	86.4	179.4	-122.5	-3.4	0	0	0	111.1	Y493 K497	Y493-N495 HydrophobicContact CD1-CB 3.76Å; Y493-N495 HydrophobicContact CE1-CB 3.15Å; Y493-N495 HydrophobicContact CE2-CB 4.4Å; Y493-N495 PolarHBondContact O-N 3.25Å; Y493-N495 PolarHBondContact OH-ND2 2.98Å; N495-K497 PolarHBondContact O-N 3.37Å
496	Q	39.3	Very low	48.7	Very low	178 Å²	178	107.5 Å²	107.5	83%	0.832	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	16.1	178.4	-139.9	162.8	8.7	0	0	114.3	N494	N494-Q496 PolarHBondContact O-N 3.45Å
497	K	39	Very low	46.6	Very low	197 Å²	197	112.1 Å²	112.1	86%	0.857	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.5	-3.3	-172.1	-73.5	-171.2	177.7	179.4	0	116.2	N495	N495-K497 PolarHBondContact O-N 3.37Å
498	S	35.3	Very low	45.1	Very low	81 Å²	81	113.8 Å²	113.8	57%	0.566	62%	0.616	S	S	*	*	S	Bend	trans	-100.8	-3.8	-177.8	-153.5	0	0	0	0	115.3	D500	S498-D500 PolarHBondContact O-N 3.22Å
499	Y	35.7	Very low	44	Very low	188 Å²	188	117.9 Å²	117.9	74%	0.737	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	-8.4	-172.3	-70.4	-72.2	0	0	0	115.9
500	D	36	Very low	44.2	Very low	161 Å²	161	120.1 Å²	120.1	86%	0.861	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	3.8	-172.1	-75.1	-15.2	0	0	0	116	S498	S498-D500 PolarHBondContact O-N 3.22Å
501	K	36.6	Very low	44.6	Very low	196 Å²	196	115.5 Å²	115.5	85%	0.852	62%	0.618	S	S	*	*	S	Bend	trans	-127.7	0.1	-175.5	-79.7	-168.7	178	-179.8	0	119.4
502	L	33.8	Very low	45.6	Very low	160 Å²	160	120.7 Å²	120.7	84%	0.838	64%	0.64	S	S	*	*			trans	-117.8	85.2	166.2	-132.5	79.8	0	0	0	110
503	G	30.4	Very low	46.7	Very low	63 Å²	63	119.7 Å²	119.7	65%	0.649	64%	0.64	S	S	*	*			trans	-62.9	145.1	159.2	0	0	0	0	0	109.6
504	Q	29.3	Very low	48	Very low	182 Å²	182	118.5 Å²	118.5	85%	0.85	64%	0.639	S	S	*	*			trans	78.8	105.2	-178.5	-48	165	35.6	0	0	110.7
505	T	35.1	Very low	49.7	Very low	124 Å²	124	112.6 Å²	112.6	76%	0.761	61%	0.606	S	S	*	*	S	Bend	cis	-157.7	140.3	49.1	47.4	0	0	0	0	111.1
506	S	35.5	Very low	51.6	Low	91 Å²	91	111.7 Å²	111.7	64%	0.636	60%	0.601	S	S	*	*			trans	54.5	80.3	149.9	46.1	0	0	0	0	120.1	T508	S506-T508 PolarHBondContact O-N 3.15Å
507	S	38.7	Very low	53.9	Low	113 Å²	113	108 Å²	108	79%	0.79	58%	0.584	S	S	*	*				39.6	42.5	116	66.7	0	0	0	0	122.3
508	T	46.9	Very low	56.2	Low	80 Å²	80	99.3 Å²	99.3	49%	0.491	55%	0.547	S	S	.	.			trans	-138.1	70.9	155.3	49.6	0	0	0	0	110.2	S506 D510	S506-T508 PolarHBondContact O-N 3.15Å; T508-D510 PolarHBondContact O-N 2.81Å
509	N	54.9	Low	58.7	Low	156 Å²	156	95.5 Å²	95.5	83%	0.834	52%	0.52	S	S	*	.			trans	-66.3	8.8	-177.7	-68.3	-16.9	0	0	0	114.8
510	D	72.8	Confident	61.3	Low	82 Å²	82	88.1 Å²	88.1	44%	0.439	49%	0.493	S	S	.	.			trans	-102.5	111.4	177.2	-167.3	-10.3	0	0	0	109.7	T508 K512 A513 A514	T508-D510 PolarHBondContact O-N 2.81Å; D510-K512 PolarHBondContact O-N 2.88Å; D510-K512 WeakPolarHBondContact OD1-CB 3.44Å; D510-K512 PolarHBondContact OD1-N 3.37Å; D510-K512 VanDerWaalsContact OD1-N 3.12Å; D510-A513 HydrophobicContact CB-CB 4.2Å; D510-A513 PolarHBondContact O-N 3.41Å; D510-A514 PolarHBondContact O-N 3.45Å
511	P	72.7	Confident	63.8	Low	44 Å²	44	84.2 Å²	84.2	29%	0.286	47%	0.47	S	S	.	.	H	α-helix	trans	-57.6	-24	178.3	24.3	-34.7	0	0	0	112.5	Y486 W515	Y486-P511 HydrophobicContact CE1-CB 3.84Å; P511-W515 WeakPolarHBondContact O-CB 2.8Å; P511-W515 PolarHBondContact O-N 3.24Å
512	K	79.5	Confident	66.3	Low	121 Å²	121	74.9 Å²	74.9	53%	0.526	43%	0.429	S	S	.	.	H	α-helix	trans	-66.6	-43.2	174.1	-66.6	-178.8	178.5	179.8	0	112.4	I487 D510 W515 L516	I487-K512 HydrophobicContact CG1-CG 4.36Å; I487-K512 HydrophobicContact CG2-CD 4.23Å; I487-K512 HydrophobicContact CG2-CG 3.72Å; D510-K512 PolarHBondContact O-N 2.88Å; D510-K512 WeakPolarHBondContact OD1-CB 3.44Å; D510-K512 PolarHBondContact OD1-N 3.37Å; D510-K512 VanDerWaalsContact OD1-N 3.12Å; K512-W515 PolarHBondContact O-N 3.22Å; K512-L516 WeakPolarHBondContact O-CB 3.34Å; K512-L516 PolarHBondContact O-N 3.23Å
513	A	81.2	Confident	69	Low	40 Å²	40	67.4 Å²	67.4	33%	0.331	39%	0.39	S	S	.	.	H	α-helix	trans	-67.8	-42.8	179.3	0	0	0	0	0	110.9	D510 L516 Q517	D510-A513 HydrophobicContact CB-CB 4.2Å; D510-A513 PolarHBondContact O-N 3.41Å; A513-L516 PolarHBondContact O-N 3.25Å; A513-Q517 WeakPolarHBondContact O-CB 3.42Å; A513-Q517 PolarHBondContact O-N 3.42Å
514	A	81.7	Confident	72	Confident	18 Å²	18	68.4 Å²	68.4	15%	0.149	38%	0.377	C	S	.	.	H	α-helix	trans	-61.8	-45.1	175.5	0	0	0	0	0	111.7	W388 D510 Q517 I518	W388-A514 HydrophobicContact CH2-CB 3.64Å; W388-A514 HydrophobicContact CZ2-CB 4.16Å; W388-A514 HydrophobicContact CZ3-CB 4.1Å; D510-A514 PolarHBondContact O-N 3.45Å; A514-Q517 PolarHBondContact O-N 2.88Å; A514-I518 WeakPolarHBondContact O-CG2 3.33Å; A514-I518 PolarHBondContact O-N 3.19Å; A514-I518 VanDerWaalsContact O-N 3.12Å
515	W	84.5	Confident	74.8	Confident	24 Å²	24	60.9 Å²	60.9	9%	0.091	35%	0.345	C	S	.	.	H	α-helix	trans	-60.9	-46.7	175.3	172.5	82.3	0	0	0	112.5	I487 P511 K512 Q517 I518 N519	I487-W515 HydrophobicContact CD1-CB 3.76Å; I487-W515 HydrophobicContact CD1-CD2 3.13Å; I487-W515 HydrophobicContact CD1-CE3 3.17Å; I487-W515 HydrophobicContact CD1-CG 3.39Å; I487-W515 HydrophobicContact CD1-CH2 4.33Å; I487-W515 HydrophobicContact CD1-CZ2 4.34Å; I487-W515 HydrophobicContact CD1-CZ3 3.8Å; I487-W515 HydrophobicContact CG1-CB 4Å; I487-W515 HydrophobicContact CG1-CD2 4.23Å; I487-W515 HydrophobicContact CG1-CG 4Å; P511-W515 WeakPolarHBondContact O-CB 2.8Å; P511-W515 PolarHBondContact O-N 3.24Å; K512-W515 PolarHBondContact O-N 3.22Å; W515-Q517 VanDerWaalsContact C-N 3.26Å; W515-Q517 PolarHBondContact O-N 3.38Å; W515-I518 VanDerWaalsContact O-CG1 3.31Å; W515-I518 WeakPolarHBondContact O-CG1 3.26Å; W515-I518 PolarHBondContact O-N 3.24Å; W515-N519 WeakPolarHBondContact CH2-ND2 3.4Å; W515-N519 VanDerWaalsContact CZ2-ND2 3.26Å; W515-N519 WeakPolarHBondContact CZ2-ND2 3.34Å; W515-N519 VanDerWaalsContact O-CB 3.31Å; W515-N519 WeakPolarHBondContact O-CB 3.49Å; W515-N519 PolarHBondContact O-N 3.4Å
516	L	85.6	Confident	77.4	Confident	47 Å²	47	55 Å²	55	25%	0.246	31%	0.309	C	S	.	.	H	α-helix	trans	-59.4	-42.7	179.5	-179.1	63.6	0	0	0	110.3	K512 A513 N519 L520	K512-L516 WeakPolarHBondContact O-CB 3.34Å; K512-L516 PolarHBondContact O-N 3.23Å; A513-L516 PolarHBondContact O-N 3.25Å; L516-N519 PolarHBondContact O-N 3.27Å; L516-L520 HydrophobicContact CD1-CD1 4.24Å; L516-L520 HydrophobicContact CD1-CG 4.22Å; L516-L520 HydrophobicContact CG-CD1 3.99Å; L516-L520 HydrophobicContact CG-CG 4.39Å; L516-L520 WeakPolarHBondContact O-CB 3.49Å; L516-L520 VanDerWaalsContact O-CG 3.28Å; L516-L520 WeakPolarHBondContact O-CG 3.39Å; L516-L520 PolarHBondContact O-N 3.36Å
517	Q	87.6	Confident	80.1	Confident	100 Å²	100	50.8 Å²	50.8	47%	0.467	28%	0.279	S	S	.	.	H	α-helix	trans	-59.6	-51.4	177.4	-175.2	-178.4	-10.9	0	0	112.4	A513 A514 W515 N519 L520 E521	A513-Q517 WeakPolarHBondContact O-CB 3.42Å; A513-Q517 PolarHBondContact O-N 3.42Å; A514-Q517 PolarHBondContact O-N 2.88Å; W515-Q517 VanDerWaalsContact C-N 3.26Å; W515-Q517 PolarHBondContact O-N 3.38Å; Q517-N519 VanDerWaalsContact C-N 3.25Å; Q517-N519 PolarHBondContact O-N 3.43Å; Q517-L520 PolarHBondContact O-N 2.92Å; Q517-E521 PolarHBondContact NE2-OE1 3.07Å; Q517-E521 WeakPolarHBondContact O-CG 3.44Å; Q517-E521 PolarHBondContact O-N 2.93Å
518	I	86.1	Confident	82.5	Confident	15 Å²	15	48.7 Å²	48.7	8%	0.077	26%	0.259	C	S	.	.	H	α-helix	trans	-65.8	-32.7	-179	73.3	166.3	0	0	0	112	W388 L391 K395 F479 A514 W515 L522	W388-I518 HydrophobicContact CH2-CD1 4.01Å; W388-I518 HydrophobicContact CH2-CG1 4.3Å; W388-I518 HydrophobicContact CH2-CG2 3.61Å; W388-I518 HydrophobicContact CZ2-CG2 3.98Å; W388-I518 HydrophobicContact CZ3-CD1 4.07Å; L391-I518 HydrophobicContact CB-CD1 4.01Å; K395-I518 HydrophobicContact CD-CB 4.28Å; F479-I518 HydrophobicContact CE2-CD1 4.24Å; F479-I518 HydrophobicContact CZ-CD1 3.76Å; F479-I518 HydrophobicContact CZ-CG1 4.14Å; A514-I518 WeakPolarHBondContact O-CG2 3.33Å; A514-I518 PolarHBondContact O-N 3.19Å; A514-I518 VanDerWaalsContact O-N 3.12Å; W515-I518 VanDerWaalsContact O-CG1 3.31Å; W515-I518 WeakPolarHBondContact O-CG1 3.26Å; W515-I518 PolarHBondContact O-N 3.24Å; I518-L522 PolarHBondContact O-N 3.25Å
519	N	88.8	Confident	84.4	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-70.8	-44.4	179.4	-165.6	9.5	0	0	0	110.7	W480 W515 L516 Q517 E521 L522 V523 I574	W480-N519 PolarHBondContact NE1-ND2 2.95Å; W480-N519 PolarHBondContact NE1-OD1 3.34Å; W515-N519 WeakPolarHBondContact CH2-ND2 3.4Å; W515-N519 VanDerWaalsContact CZ2-ND2 3.26Å; W515-N519 WeakPolarHBondContact CZ2-ND2 3.34Å; W515-N519 VanDerWaalsContact O-CB 3.31Å; W515-N519 WeakPolarHBondContact O-CB 3.49Å; W515-N519 PolarHBondContact O-N 3.4Å; L516-N519 PolarHBondContact O-N 3.27Å; Q517-N519 VanDerWaalsContact C-N 3.25Å; Q517-N519 PolarHBondContact O-N 3.43Å; N519-E521 VanDerWaalsContact C-N 3.35Å; N519-E521 PolarHBondContact O-N 2.86Å; N519-L522 PolarHBondContact O-N 2.88Å; N519-V523 VanDerWaalsContact O-CG2 3.32Å; N519-V523 WeakPolarHBondContact O-CG2 3.49Å; N519-V523 PolarHBondContact O-N 3.24Å; N519-I574 VanDerWaalsContact ND2-CD1 3.32Å; N519-I574 WeakPolarHBondContact ND2-CD1 3.5Å
520	L	89.5	Confident	86	Confident	34 Å²	34	38.8 Å²	38.8	18%	0.178	20%	0.202	C	C	.	.	H	α-helix	trans	-60.6	-43.8	173.2	-72.6	173.1	0	0	0	111.6	L516 Q517 L522 V523 H524 E573 I574 I577	L516-L520 HydrophobicContact CD1-CD1 4.24Å; L516-L520 HydrophobicContact CD1-CG 4.22Å; L516-L520 HydrophobicContact CG-CD1 3.99Å; L516-L520 HydrophobicContact CG-CG 4.39Å; L516-L520 WeakPolarHBondContact O-CB 3.49Å; L516-L520 VanDerWaalsContact O-CG 3.28Å; L516-L520 WeakPolarHBondContact O-CG 3.39Å; L516-L520 PolarHBondContact O-N 3.36Å; Q517-L520 PolarHBondContact O-N 2.92Å; L520-L522 VanDerWaalsContact C-N 3.32Å; L520-L522 PolarHBondContact O-N 3.04Å; L520-V523 PolarHBondContact O-N 2.85Å; L520-H524 VanDerWaalsContact O-CB 3.27Å; L520-H524 WeakPolarHBondContact O-CB 3.34Å; L520-H524 PolarHBondContact O-CD2 2.93Å; L520-H524 PolarHBondContact O-N 2.96Å; L520-E573 HydrophobicContact CD2-CB 3.97Å; L520-I574 HydrophobicContact CD2-CG1 3.9Å; L520-I577 HydrophobicContact CD2-CD1 3.83Å
521	E	89	Confident	86.7	Confident	79 Å²	79	36.8 Å²	36.8	37%	0.369	19%	0.188	S	C	.	.	H	α-helix	trans	-58.9	-42.3	176	-74.6	173.7	-169.5	0	0	112	K395 Q517 N519 S525	K395-E521 IonicContact NZ-OE2 3.81Å; K395-E521 PolarHBondContact NZ-OE2 3.39Å; Q517-E521 PolarHBondContact NE2-OE1 3.07Å; Q517-E521 WeakPolarHBondContact O-CG 3.44Å; Q517-E521 PolarHBondContact O-N 2.93Å; N519-E521 VanDerWaalsContact C-N 3.35Å; N519-E521 PolarHBondContact O-N 2.86Å; E521-S525 VanDerWaalsContact O-CB 3.28Å; E521-S525 WeakPolarHBondContact O-CB 3.35Å; E521-S525 PolarHBondContact O-N 3.48Å
522	L	89.7	Confident	87.3	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.1	-49.9	175.9	176.9	68.4	0	0	0	111.7	L398 I399 V476 F479 I518 N519 L520 H524 S525 V526	L398-L522 HydrophobicContact CB-CD1 3.75Å; L398-L522 HydrophobicContact CD1-CD1 3.92Å; L398-L522 HydrophobicContact CD1-CD2 3.59Å; L398-L522 HydrophobicContact CD1-CG 4.41Å; L398-L522 HydrophobicContact CG-CD1 4.49Å; I399-L522 HydrophobicContact CG1-CD1 4.32Å; V476-L522 HydrophobicContact CG1-CD2 4.27Å; F479-L522 HydrophobicContact CD1-CD2 3.52Å; F479-L522 HydrophobicContact CE1-CD2 3.56Å; F479-L522 HydrophobicContact CG-CD2 4.27Å; F479-L522 HydrophobicContact CZ-CD2 4.32Å; I518-L522 PolarHBondContact O-N 3.25Å; N519-L522 PolarHBondContact O-N 2.88Å; L520-L522 VanDerWaalsContact C-N 3.32Å; L520-L522 PolarHBondContact O-N 3.04Å; L522-H524 PolarHBondContact O-N 3.38Å; L522-S525 WeakPolarHBondContact O-CA 3.43Å; L522-S525 WeakPolarHBondContact O-CB 3.33Å; L522-S525 PolarHBondContact O-N 3.18Å; L522-S525 VanDerWaalsContact O-N 3.12Å; L522-V526 HydrophobicContact CD1-CG2 4.46Å; L522-V526 WeakPolarHBondContact O-CG2 3.41Å; L522-V526 PolarHBondContact O-N 3.34Å
523	V	90.1	Very high	87.4	Confident	2 Å²	2	32.7 Å²	32.7	1%	0.012	17%	0.17	C	C	.	.	H	α-helix	trans	-64.7	-41	-177.9	174.2	0	0	0	0	111.1	W480 N519 L520 S525 V526 S527 I574 I577 F578	W480-V523 HydrophobicContact CZ2-CG2 4.24Å; N519-V523 VanDerWaalsContact O-CG2 3.32Å; N519-V523 WeakPolarHBondContact O-CG2 3.49Å; N519-V523 PolarHBondContact O-N 3.24Å; L520-V523 PolarHBondContact O-N 2.85Å; V523-S525 VanDerWaalsContact C-N 3.34Å; V523-V526 PolarHBondContact O-N 3.48Å; V523-S527 WeakPolarHBondContact O-CB 3.36Å; V523-S527 PolarHBondContact O-N 3.49Å; V523-I574 HydrophobicContact CG1-CG2 4.24Å; V523-I574 HydrophobicContact CG2-CG2 4.11Å; V523-I577 HydrophobicContact CB-CD1 4.41Å; V523-I577 HydrophobicContact CG1-CB 4Å; V523-I577 HydrophobicContact CG1-CD1 3.97Å; V523-I577 HydrophobicContact CG1-CG2 3.83Å; V523-F578 HydrophobicContact CG1-CD2 4.41Å; V523-F578 HydrophobicContact CG1-CE1 4.29Å; V523-F578 HydrophobicContact CG1-CE2 3.94Å; V523-F578 HydrophobicContact CG1-CZ 3.89Å
524	H	92.3	Very high	87.5	Confident	85 Å²	85	30.8 Å²	30.8	39%	0.394	15%	0.154	S	C	.	.	H	α-helix	trans	-61.1	-43.2	171.1	-83.9	-62.8	0	0	0	111.7	L520 L522 S527 N528 I577	L520-H524 VanDerWaalsContact O-CB 3.27Å; L520-H524 WeakPolarHBondContact O-CB 3.34Å; L520-H524 PolarHBondContact O-CD2 2.93Å; L520-H524 PolarHBondContact O-N 2.96Å; L522-H524 PolarHBondContact O-N 3.38Å; H524-S527 PolarHBondContact O-N 2.97Å; H524-N528 VanDerWaalsContact O-CB 3.26Å; H524-N528 WeakPolarHBondContact O-CB 3.36Å; H524-N528 PolarHBondContact O-N 2.99Å; H524-N528 PolarHBondContact O-ND2 3.02Å; H524-I577 VanDerWaalsContact CE1-CD1 3.48Å; H524-I577 WeakPolarHBondContact CE1-CD1 3.46Å; H524-I577 VanDerWaalsContact NE2-CD1 3.35Å; H524-I577 WeakPolarHBondContact NE2-CD1 3.45Å
525	S	89	Confident	87.6	Confident	23 Å²	23	33.4 Å²	33.4	16%	0.161	17%	0.165	C	C	.	.	H	α-helix	trans	-59	-51.8	176.2	-164.4	0	0	0	0	110.8	E521 L522 V523 S527 N528 H529	E521-S525 VanDerWaalsContact O-CB 3.28Å; E521-S525 WeakPolarHBondContact O-CB 3.35Å; E521-S525 PolarHBondContact O-N 3.48Å; L522-S525 WeakPolarHBondContact O-CA 3.43Å; L522-S525 WeakPolarHBondContact O-CB 3.33Å; L522-S525 PolarHBondContact O-N 3.18Å; L522-S525 VanDerWaalsContact O-N 3.12Å; V523-S525 VanDerWaalsContact C-N 3.34Å; S525-S527 VanDerWaalsContact C-N 3.34Å; S525-S527 PolarHBondContact O-N 3.19Å; S525-N528 PolarHBondContact O-N 3.42Å; S525-H529 PolarHBondContact O-N 3Å; S525-H529 PolarHBondContact O-ND1 3.39Å; S525-H529 PolarHBondContact OG-CE1 3.45Å; S525-H529 PolarHBondContact OG-ND1 3.33Å
526	V	89.9	Confident	87.4	Confident	2 Å²	2	35.7 Å²	35.7	1%	0.012	18%	0.177	C	C	.	.	H	α-helix	trans	-55.9	-48.9	177	174.9	0	0	0	0	111.2	L402 V468 L472 L522 V523 N528 H529 M530	L402-V526 HydrophobicContact CD1-CB 4.38Å; L402-V526 HydrophobicContact CD1-CG2 3.63Å; L402-V526 HydrophobicContact CD2-CG2 4.3Å; V468-V526 HydrophobicContact CG1-CG1 3.6Å; L472-V526 HydrophobicContact CD1-CG1 3.92Å; L472-V526 HydrophobicContact CD2-CG1 4.1Å; L472-V526 HydrophobicContact CG-CG1 4.09Å; L522-V526 HydrophobicContact CD1-CG2 4.46Å; L522-V526 WeakPolarHBondContact O-CG2 3.41Å; L522-V526 PolarHBondContact O-N 3.34Å; V523-V526 PolarHBondContact O-N 3.48Å; V526-N528 PolarHBondContact O-N 3.43Å; V526-H529 PolarHBondContact O-N 2.8Å; V526-M530 HydrophobicContact CG1-SD 4.26Å; V526-M530 WeakPolarHBondContact O-CG 3.37Å; V526-M530 PolarHBondContact O-N 3.13Å
527	S	90.7	Very high	87	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.007	17%	0.167	C	C	.	.	H	α-helix	trans	-62.9	-43.4	-178.9	176.9	0	0	0	0	112.7	V523 H524 S525 R531	V523-S527 WeakPolarHBondContact O-CB 3.36Å; V523-S527 PolarHBondContact O-N 3.49Å; H524-S527 PolarHBondContact O-N 2.97Å; S525-S527 VanDerWaalsContact C-N 3.34Å; S525-S527 PolarHBondContact O-N 3.19Å; S527-R531 WeakPolarHBondContact O-CB 3.33Å; S527-R531 PolarHBondContact O-N 3Å
528	N	89.9	Confident	86.4	Confident	69 Å²	69	30.9 Å²	30.9	37%	0.369	15%	0.153	S	C	.	.	H	α-helix	trans	-67.7	-45	179.9	-69.3	-13	0	0	0	111.2	H524 S525 V526 M530 R531 D532	H524-N528 VanDerWaalsContact O-CB 3.26Å; H524-N528 WeakPolarHBondContact O-CB 3.36Å; H524-N528 PolarHBondContact O-N 2.99Å; H524-N528 PolarHBondContact O-ND2 3.02Å; S525-N528 PolarHBondContact O-N 3.42Å; V526-N528 PolarHBondContact O-N 3.43Å; N528-M530 VanDerWaalsContact C-N 3.35Å; N528-M530 PolarHBondContact O-N 2.87Å; N528-R531 PolarHBondContact O-N 3.2Å; N528-R531 VanDerWaalsContact O-N 3.14Å; N528-R531 PolarHBondContact OD1-NH1 2.8Å; N528-D532 WeakPolarHBondContact O-CB 3.37Å; N528-D532 PolarHBondContact O-N 3.43Å
529	H	87.2	Confident	85.7	Confident	27 Å²	27	35.1 Å²	35.1	13%	0.125	18%	0.184	C	C	.	.	H	α-helix	trans	-59.1	-46.4	176.3	-72.5	85.5	0	0	0	111.2	Q406 S525 V526 R531 D532 I533	Q406-H529 PolarHBondContact OE1-CD2 3.2Å; Q406-H529 VanDerWaalsContact OE1-CD2 3.31Å; S525-H529 PolarHBondContact O-N 3Å; S525-H529 PolarHBondContact O-ND1 3.39Å; S525-H529 PolarHBondContact OG-CE1 3.45Å; S525-H529 PolarHBondContact OG-ND1 3.33Å; V526-H529 PolarHBondContact O-N 2.8Å; H529-R531 VanDerWaalsContact C-N 3.33Å; H529-R531 PolarHBondContact O-N 3.31Å; H529-D532 PolarHBondContact O-N 2.97Å; H529-I533 WeakPolarHBondContact O-CD1 3.31Å; H529-I533 PolarHBondContact O-N 3.18Å
530	M	87.3	Confident	84.6	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-58.9	-43.9	176	-69.7	-176.3	72.3	0	0	112.3	V465 V468 V526 N528 V534 Y558 L581	V465-M530 HydrophobicContact CB-CE 4.47Å; V465-M530 HydrophobicContact CG1-CE 3.83Å; V465-M530 HydrophobicContact CG2-CE 4.27Å; V468-M530 HydrophobicContact CB-CG 4.16Å; V468-M530 HydrophobicContact CB-SD 4.29Å; V468-M530 HydrophobicContact CG1-CG 3.65Å; V468-M530 HydrophobicContact CG1-SD 3.56Å; V468-M530 VanDerWaalsContact CG1-SD 3.56Å; V468-M530 HydrophobicContact CG2-CG 4.38Å; V526-M530 HydrophobicContact CG1-SD 4.26Å; V526-M530 WeakPolarHBondContact O-CG 3.37Å; V526-M530 PolarHBondContact O-N 3.13Å; N528-M530 VanDerWaalsContact C-N 3.35Å; N528-M530 PolarHBondContact O-N 2.87Å; M530-V534 VanDerWaalsContact O-CG2 3.25Å; M530-V534 WeakPolarHBondContact O-CG2 3.23Å; M530-V534 PolarHBondContact O-N 3.49Å; M530-Y558 HydrophobicContact CE-CD2 3.74Å; M530-Y558 HydrophobicContact CE-CE2 4.32Å; M530-Y558 HydrophobicContact SD-CD2 4.44Å; M530-Y558 HydrophobicContact SD-CE2 4.49Å; M530-L581 HydrophobicContact CB-CD1 4.4Å; M530-L581 HydrophobicContact CB-CD2 4.12Å; M530-L581 HydrophobicContact CE-CD2 4.39Å; M530-L581 HydrophobicContact SD-CD2 3.91Å
531	R	87.5	Confident	83.1	Confident	40 Å²	40	39.8 Å²	39.8	15%	0.151	22%	0.215	C	C	.	.	H	α-helix	trans	-64.5	-45.6	178.5	-175.6	-174	-66.5	94.2	3.1	111.9	S527 N528 H529 V534 L535 L581 D584	S527-R531 WeakPolarHBondContact O-CB 3.33Å; S527-R531 PolarHBondContact O-N 3Å; N528-R531 PolarHBondContact O-N 3.2Å; N528-R531 VanDerWaalsContact O-N 3.14Å; N528-R531 PolarHBondContact OD1-NH1 2.8Å; H529-R531 VanDerWaalsContact C-N 3.33Å; H529-R531 PolarHBondContact O-N 3.31Å; R531-V534 PolarHBondContact O-N 3.48Å; R531-L535 HydrophobicContact CG-CD1 3.84Å; R531-L535 HydrophobicContact CG-CG 4.31Å; R531-L535 WeakPolarHBondContact O-CG 2.98Å; R531-L535 PolarHBondContact O-N 3.49Å; R531-L581 HydrophobicContact CB-CD1 4Å; R531-D584 IonicContact CZ-OD2 3.99Å; R531-D584 IonicContact NE-OD2 3.05Å; R531-D584 PolarHBondContact NE-OD2 2.78Å; R531-D584 IonicContact NH2-OD2 2.71Å; R531-D584 PolarHBondContact NH2-OD2 2.87Å
532	D	86.3	Confident	81.7	Confident	76 Å²	76	41.2 Å²	41.2	41%	0.406	23%	0.233	S	C	.	.	H	α-helix	trans	-64.6	-44.7	-173.4	-68.8	-17.4	0	0	0	111.1	N528 H529 V534 L535 E536	N528-D532 WeakPolarHBondContact O-CB 3.37Å; N528-D532 PolarHBondContact O-N 3.43Å; H529-D532 PolarHBondContact O-N 2.97Å; D532-V534 VanDerWaalsContact C-N 3.33Å; D532-V534 PolarHBondContact O-N 3.24Å; D532-L535 PolarHBondContact O-N 3.31Å; D532-E536 VanDerWaalsContact O-CB 3.24Å; D532-E536 WeakPolarHBondContact O-CB 3.39Å; D532-E536 PolarHBondContact O-N 3.28Å
533	I	81.3	Confident	80.6	Confident	3 Å²	3	46.2 Å²	46.2	2%	0.015	26%	0.26	C	S	.	.	H	α-helix	trans	-64.2	-39.5	176.2	-77.6	94.5	0	0	0	111.8	Q406 M464 H529 E536 A537	Q406-I533 HydrophobicContact CB-CD1 4.27Å; Q406-I533 HydrophobicContact CG-CD1 3.92Å; Q406-I533 HydrophobicContact CG-CG1 4.49Å; M464-I533 HydrophobicContact CE-CB 3.44Å; M464-I533 VanDerWaalsContact CE-CB 3.44Å; M464-I533 HydrophobicContact CE-CD1 3.68Å; M464-I533 HydrophobicContact CE-CG1 3.71Å; M464-I533 HydrophobicContact CE-CG2 3.54Å; M464-I533 HydrophobicContact SD-CB 3.77Å; M464-I533 HydrophobicContact SD-CD1 3.14Å; M464-I533 WeakPolarHBondContact SD-CD1 3.34Å; M464-I533 HydrophobicContact SD-CG1 3.28Å; M464-I533 WeakPolarHBondContact SD-CG1 3.5Å; M464-I533 HydrophobicContact SD-CG2 3.89Å; H529-I533 WeakPolarHBondContact O-CD1 3.31Å; H529-I533 PolarHBondContact O-N 3.18Å; I533-E536 PolarHBondContact O-N 2.99Å; I533-A537 WeakPolarHBondContact O-CB 3.45Å; I533-A537 PolarHBondContact O-N 3.5Å
534	V	84.3	Confident	79.6	Confident	1 Å²	1	49 Å²	49	1%	0.006	27%	0.273	C	S	.	.	H	α-helix	trans	-61.3	-50.8	176.5	169.4	0	0	0	0	109.5	M461 M530 R531 D532 E536 A537 F538 L551 L585 L588	M461-V534 HydrophobicContact CE-CB 3.95Å; M461-V534 HydrophobicContact CE-CG1 3.63Å; M461-V534 HydrophobicContact CE-CG2 3.63Å; M461-V534 HydrophobicContact CG-CG2 4.5Å; M530-V534 VanDerWaalsContact O-CG2 3.25Å; M530-V534 WeakPolarHBondContact O-CG2 3.23Å; M530-V534 PolarHBondContact O-N 3.49Å; R531-V534 PolarHBondContact O-N 3.48Å; D532-V534 VanDerWaalsContact C-N 3.33Å; D532-V534 PolarHBondContact O-N 3.24Å; V534-E536 VanDerWaalsContact C-N 3.31Å; V534-E536 PolarHBondContact O-N 3.4Å; V534-A537 PolarHBondContact O-N 3.36Å; V534-F538 HydrophobicContact CG1-CD2 4.07Å; V534-F538 HydrophobicContact CG1-CE2 4.01Å; V534-F538 VanDerWaalsContact O-CD2 3.22Å; V534-F538 WeakPolarHBondContact O-CD2 3.19Å; V534-F538 PolarHBondContact O-N 2.81Å; V534-L551 HydrophobicContact CG1-CD1 3.92Å; V534-L585 HydrophobicContact CB-CD2 4.08Å; V534-L585 HydrophobicContact CG1-CD2 3.87Å; V534-L585 HydrophobicContact CG2-CD2 3.78Å; V534-L588 HydrophobicContact CG1-CD1 3.87Å
535	L	82.2	Confident	78.7	Confident	72 Å²	72	47.3 Å²	47.3	38%	0.377	27%	0.269	S	S	.	.	H	α-helix	trans	-61.5	-37.9	178.8	-70.3	175.4	0	0	0	113	R531 D532 F538 S539 L588	R531-L535 HydrophobicContact CG-CD1 3.84Å; R531-L535 HydrophobicContact CG-CG 4.31Å; R531-L535 WeakPolarHBondContact O-CG 2.98Å; R531-L535 PolarHBondContact O-N 3.49Å; D532-L535 PolarHBondContact O-N 3.31Å; L535-F538 PolarHBondContact O-N 3.18Å; L535-S539 PolarHBondContact O-N 3.12Å; L535-S539 VanDerWaalsContact O-N 3.12Å; L535-S539 PolarHBondContact O-OG 2.9Å; L535-L588 HydrophobicContact CD2-CD1 3.76Å; L535-L588 HydrophobicContact CD2-CD2 4.25Å
536	E	82	Confident	78.2	Confident	72 Å²	72	48.8 Å²	48.8	34%	0.336	28%	0.279	S	S	.	.	H	α-helix	trans	-69	-39.8	177.9	-170.9	169.7	178.4	0	0	112.1	H410 D532 I533 V534 F538 S539 T540	H410-E536 VanDerWaalsContact CE1-CD 3.4Å; H410-E536 IonicContact CE1-OE1 2.58Å; H410-E536 PolarHBondContact CE1-OE1 2.88Å; H410-E536 IonicContact CE1-OE2 3.2Å; H410-E536 PolarHBondContact CE1-OE2 3.11Å; H410-E536 IonicContact ND1-OE1 3.18Å; H410-E536 IonicContact NE2-OE2 3.89Å; D532-E536 VanDerWaalsContact O-CB 3.24Å; D532-E536 WeakPolarHBondContact O-CB 3.39Å; D532-E536 PolarHBondContact O-N 3.28Å; I533-E536 PolarHBondContact O-N 2.99Å; V534-E536 VanDerWaalsContact C-N 3.31Å; V534-E536 PolarHBondContact O-N 3.4Å; E536-F538 VanDerWaalsContact C-N 3.32Å; E536-F538 PolarHBondContact O-N 3.31Å; E536-S539 PolarHBondContact O-N 3.07Å; E536-T540 HydrophobicContact CG-CG2 4.05Å; E536-T540 WeakPolarHBondContact O-CB 3.39Å; E536-T540 WeakPolarHBondContact O-CG2 3.35Å; E536-T540 PolarHBondContact O-N 3.4Å; E536-T540 PolarHBondContact O-OG1 2.88Å
537	A	77.3	Confident	77.9	Confident	5 Å²	5	49.3 Å²	49.3	4%	0.041	28%	0.282	C	S	.	.	H	α-helix	trans	-60	-41.8	174.6	0	0	0	0	0	111.9	M461 I533 V534 S539 T540 T541 L547	M461-A537 HydrophobicContact CB-CB 4.45Å; M461-A537 HydrophobicContact CG-CB 4.43Å; M461-A537 HydrophobicContact SD-CB 4.36Å; I533-A537 WeakPolarHBondContact O-CB 3.45Å; I533-A537 PolarHBondContact O-N 3.5Å; V534-A537 PolarHBondContact O-N 3.36Å; A537-S539 VanDerWaalsContact C-N 3.27Å; A537-S539 PolarHBondContact O-N 2.93Å; A537-T540 PolarHBondContact O-OG1 3.38Å; A537-T541 PolarHBondContact O-N 3.46Å; A537-T541 PolarHBondContact O-OG1 3.27Å; A537-L547 HydrophobicContact CB-CD2 4.38Å
538	F	73.8	Confident	77.6	Confident	41 Å²	41	49.4 Å²	49.4	18%	0.18	28%	0.282	C	S	.	.	H	α-helix	trans	-69.2	-21.2	174.2	-81.7	-80.2	0	0	0	113.8	M461 V534 L535 E536 L547 L551	M461-F538 HydrophobicContact CE-CE2 3.94Å; V534-F538 HydrophobicContact CG1-CD2 4.07Å; V534-F538 HydrophobicContact CG1-CE2 4.01Å; V534-F538 VanDerWaalsContact O-CD2 3.22Å; V534-F538 WeakPolarHBondContact O-CD2 3.19Å; V534-F538 PolarHBondContact O-N 2.81Å; L535-F538 PolarHBondContact O-N 3.18Å; E536-F538 VanDerWaalsContact C-N 3.32Å; E536-F538 PolarHBondContact O-N 3.31Å; F538-L547 HydrophobicContact CD1-CD1 4.12Å; F538-L547 HydrophobicContact CE1-CB 4.07Å; F538-L547 HydrophobicContact CE1-CD1 4.42Å; F538-L547 HydrophobicContact CZ-CB 4.23Å; F538-L551 HydrophobicContact CE2-CB 4.32Å; F538-L551 HydrophobicContact CE2-CD2 3.72Å; F538-L551 HydrophobicContact CE2-CG 4.44Å; F538-L551 HydrophobicContact CZ-CB 4.19Å; F538-L551 HydrophobicContact CZ-CD2 3.65Å; F538-L551 HydrophobicContact CZ-CG 4.5Å
539	S	72.6	Confident	77.4	Confident	104 Å²	104	49.8 Å²	49.8	73%	0.727	28%	0.284	S	S	*	.	H	α-helix	trans	-90.5	-26.1	-180	-56.7	0	0	0	0	113.2	L535 E536 A537	L535-S539 PolarHBondContact O-N 3.12Å; L535-S539 VanDerWaalsContact O-N 3.12Å; L535-S539 PolarHBondContact O-OG 2.9Å; E536-S539 PolarHBondContact O-N 3.07Å; A537-S539 VanDerWaalsContact C-N 3.27Å; A537-S539 PolarHBondContact O-N 2.93Å
540	T	64.6	Low	77.5	Confident	76 Å²	76	50.9 Å²	50.9	47%	0.466	29%	0.289	S	S	.	.	H	α-helix	trans	-100.4	-26.6	-168.3	49.6	0	0	0	0	114.3	M413 E536 A537	M413-T540 HydrophobicContact CE-CG2 4.49Å; M413-T540 WeakPolarHBondContact CE-OG1 3.41Å; E536-T540 HydrophobicContact CG-CG2 4.05Å; E536-T540 WeakPolarHBondContact O-CB 3.39Å; E536-T540 WeakPolarHBondContact O-CG2 3.35Å; E536-T540 PolarHBondContact O-N 3.4Å; E536-T540 PolarHBondContact O-OG1 2.88Å; A537-T540 PolarHBondContact O-OG1 3.38Å
541	T	59	Low	77.7	Confident	57 Å²	57	50.9 Å²	50.9	35%	0.35	29%	0.289	S	S	.	.			trans	-106.8	140.6	-170.1	64.2	0	0	0	0	112.1	A537 L547	A537-T541 PolarHBondContact O-N 3.46Å; A537-T541 PolarHBondContact O-OG1 3.27Å; T541-L547 WeakPolarHBondContact OG1-CD1 3.19Å; T541-L547 WeakPolarHBondContact OG1-CD2 3.49Å; T541-L547 WeakPolarHBondContact OG1-CG 3.43Å
542	S	58.8	Low	77.8	Confident	109 Å²	109	49.7 Å²	49.7	76%	0.762	29%	0.286	S	S	*	.	S	Bend	trans	-79.8	-21.3	-179.7	59.5	0	0	0	0	113.8	E544	S542-E544 PolarHBondContact O-N 3.38Å; S542-E544 VanDerWaalsContact O-N 3.16Å
543	N	65.8	Low	78	Confident	105 Å²	105	49.4 Å²	49.4	56%	0.561	28%	0.282	S	S	*	.			trans	-91.5	67.8	-173.3	-70.4	-2.1	0	0	0	111.1	T545 S546 L547	N543-T545 PolarHBondContact O-N 3.35Å; N543-T545 VanDerWaalsContact O-N 3.12Å; N543-S546 PolarHBondContact O-N 3.08Å; N543-L547 PolarHBondContact O-N 3.19Å
544	E	69.4	Low	78.5	Confident	60 Å²	60	49.3 Å²	49.3	28%	0.28	28%	0.282	S	S	.	.	H	α-helix	trans	-58.9	-25.8	-176.1	-64.3	-171.6	144.5	0	0	114	S542 T548 L595 L599	S542-E544 PolarHBondContact O-N 3.38Å; S542-E544 VanDerWaalsContact O-N 3.16Å; E544-T548 PolarHBondContact O-N 3.37Å; E544-T548 PolarHBondContact O-OG1 3.15Å; E544-L595 WeakPolarHBondContact OE2-CD2 3.34Å; E544-L595 WeakPolarHBondContact OE2-CG 3.34Å; E544-L599 HydrophobicContact CB-CD1 4.47Å
545	T	73.7	Confident	78.8	Confident	50 Å²	50	49.3 Å²	49.3	31%	0.307	28%	0.282	S	S	.	.	H	α-helix	trans	-67.4	-49.6	179.8	58.2	0	0	0	0	111.9	N543 L547 T548 R596 L599	N543-T545 PolarHBondContact O-N 3.35Å; N543-T545 VanDerWaalsContact O-N 3.12Å; T545-L547 VanDerWaalsContact C-N 3.32Å; T545-L547 PolarHBondContact O-N 3.19Å; T545-T548 WeakPolarHBondContact O-CB 3.24Å; T545-T548 PolarHBondContact O-N 3.32Å; T545-R596 HydrophobicContact CG2-CB 4.35Å; T545-R596 HydrophobicContact CG2-CG 3.87Å; T545-L599 HydrophobicContact CG2-CD1 4.21Å
546	S	79	Confident	79.2	Confident	53 Å²	53	52.1 Å²	52.1	37%	0.371	29%	0.291	S	S	.	.	H	α-helix	trans	-66	-34.8	177.9	-55.9	0	0	0	0	112.1	N543 T548 D549 H550	N543-S546 PolarHBondContact O-N 3.08Å; S546-T548 PolarHBondContact O-N 3.41Å; S546-D549 PolarHBondContact O-N 2.92Å; S546-H550 PolarHBondContact O-CD2 2.96Å; S546-H550 PolarHBondContact O-N 3.48Å; S546-H550 PolarHBondContact O-ND1 3.03Å
547	L	82.7	Confident	79.6	Confident	14 Å²	14	51.3 Å²	51.3	7%	0.073	29%	0.287	C	S	.	.	H	α-helix	trans	-60	-35.4	174.8	-67.5	174.9	0	0	0	112.8	A537 F538 T541 N543 T545 H550 L551	A537-L547 HydrophobicContact CB-CD2 4.38Å; F538-L547 HydrophobicContact CD1-CD1 4.12Å; F538-L547 HydrophobicContact CE1-CB 4.07Å; F538-L547 HydrophobicContact CE1-CD1 4.42Å; F538-L547 HydrophobicContact CZ-CB 4.23Å; T541-L547 WeakPolarHBondContact OG1-CD1 3.19Å; T541-L547 WeakPolarHBondContact OG1-CD2 3.49Å; T541-L547 WeakPolarHBondContact OG1-CG 3.43Å; N543-L547 PolarHBondContact O-N 3.19Å; T545-L547 VanDerWaalsContact C-N 3.32Å; T545-L547 PolarHBondContact O-N 3.19Å; L547-H550 PolarHBondContact O-N 3.32Å; L547-L551 WeakPolarHBondContact O-CB 3.49Å; L547-L551 PolarHBondContact O-N 2.96Å
548	T	84.8	Confident	80.3	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.012	29%	0.286	C	S	.	.	H	α-helix	trans	-64.9	-43.4	178.9	-55.8	0	0	0	0	110.2	E544 T545 S546 L551 L552 G592 I593	E544-T548 PolarHBondContact O-N 3.37Å; E544-T548 PolarHBondContact O-OG1 3.15Å; T545-T548 WeakPolarHBondContact O-CB 3.24Å; T545-T548 PolarHBondContact O-N 3.32Å; S546-T548 PolarHBondContact O-N 3.41Å; T548-L551 PolarHBondContact O-N 3.27Å; T548-L552 VanDerWaalsContact O-CG 3.28Å; T548-L552 WeakPolarHBondContact O-CG 3.47Å; T548-L552 PolarHBondContact O-N 2.93Å; T548-G592 PolarHBondContact OG1-O 3.06Å; T548-I593 HydrophobicContact CG2-CG1 3.99Å
549	D	86.5	Confident	81.2	Confident	78 Å²	78	50.3 Å²	50.3	42%	0.417	28%	0.281	S	S	.	.	H	α-helix	trans	-65.3	-40.9	177.1	-64.3	-39.9	0	0	0	111.8	S546 L551 L552 E553 R596	S546-D549 PolarHBondContact O-N 2.92Å; D549-L551 PolarHBondContact O-N 3.43Å; D549-L552 PolarHBondContact O-N 3.5Å; D549-E553 PolarHBondContact O-N 3.48Å; D549-R596 IonicContact OD1-NH1 2.86Å; D549-R596 PolarHBondContact OD1-NH1 3.29Å; D549-R596 IonicContact OD2-NH1 2.93Å
550	H	88.6	Confident	82	Confident	50 Å²	50	51.3 Å²	51.3	23%	0.231	27%	0.274	C	S	.	.	H	α-helix	trans	-61.6	-42	173.9	-60.7	157.4	0	0	0	112.3	P459 M461 V462 S546 L547 E553 C554	P459-H550 VanDerWaalsContact CG-CE1 3.46Å; P459-H550 WeakPolarHBondContact CG-CE1 3.28Å; P459-H550 VanDerWaalsContact CG-NE2 3.29Å; P459-H550 WeakPolarHBondContact CG-NE2 3.4Å; M461-H550 HydrophobicContact SD-CB 4.12Å; V462-H550 HydrophobicContact CG2-CB 3.65Å; S546-H550 PolarHBondContact O-CD2 2.96Å; S546-H550 PolarHBondContact O-N 3.48Å; S546-H550 PolarHBondContact O-ND1 3.03Å; L547-H550 PolarHBondContact O-N 3.32Å; H550-E553 PolarHBondContact O-N 2.95Å; H550-C554 PolarHBondContact O-N 3.36Å; H550-C554 PolarHBondContact O-SG 3.1Å
551	L	90.9	Very high	83.2	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.9	-40.3	175.8	178.7	60.5	0	0	0	111.7	M461 V534 F538 L547 T548 D549 E553 C554 I555 L585 L588 A589	M461-L551 HydrophobicContact CE-CB 3.94Å; M461-L551 HydrophobicContact CE-CD1 3.77Å; M461-L551 HydrophobicContact CE-CG 4.4Å; V534-L551 HydrophobicContact CG1-CD1 3.92Å; F538-L551 HydrophobicContact CE2-CB 4.32Å; F538-L551 HydrophobicContact CE2-CD2 3.72Å; F538-L551 HydrophobicContact CE2-CG 4.44Å; F538-L551 HydrophobicContact CZ-CB 4.19Å; F538-L551 HydrophobicContact CZ-CD2 3.65Å; F538-L551 HydrophobicContact CZ-CG 4.5Å; L547-L551 WeakPolarHBondContact O-CB 3.49Å; L547-L551 PolarHBondContact O-N 2.96Å; T548-L551 PolarHBondContact O-N 3.27Å; D549-L551 PolarHBondContact O-N 3.43Å; L551-E553 VanDerWaalsContact C-N 3.29Å; L551-E553 PolarHBondContact O-N 2.76Å; L551-C554 WeakPolarHBondContact O-CB 3.34Å; L551-C554 PolarHBondContact O-N 3.43Å; L551-I555 HydrophobicContact CD1-CD1 4.33Å; L551-I555 HydrophobicContact CD1-CG1 4.39Å; L551-I555 HydrophobicContact CG-CD1 4.12Å; L551-I555 WeakPolarHBondContact O-CG1 3.41Å; L551-I555 PolarHBondContact O-N 2.93Å; L551-L585 HydrophobicContact CD1-CD2 4.23Å; L551-L588 HydrophobicContact CD2-CB 3.85Å; L551-A589 HydrophobicContact CD2-CB 3.82Å; L551-A589 HydrophobicContact CG-CB 4.22Å
552	L	91.2	Very high	84.6	Confident	15 Å²	15	45.5 Å²	45.5	8%	0.079	24%	0.239	C	C	.	.	H	α-helix	trans	-63.2	-37.1	176.3	-67.4	172	0	0	0	111.6	T548 D549 K556 A589 I593 L638 Q642	T548-L552 VanDerWaalsContact O-CG 3.28Å; T548-L552 WeakPolarHBondContact O-CG 3.47Å; T548-L552 PolarHBondContact O-N 2.93Å; D549-L552 PolarHBondContact O-N 3.5Å; L552-K556 WeakPolarHBondContact O-CG 3.22Å; L552-K556 PolarHBondContact O-N 3.14Å; L552-A589 HydrophobicContact CD2-CB 4.04Å; L552-I593 HydrophobicContact CD2-CD1 4.38Å; L552-L638 HydrophobicContact CD1-CD1 4.25Å; L552-L638 HydrophobicContact CD1-CD2 3.98Å; L552-L638 HydrophobicContact CD1-CG 4.34Å; L552-Q642 HydrophobicContact CD2-CG 4.09Å
553	E	89.8	Confident	85.9	Confident	70 Å²	70	44.8 Å²	44.8	33%	0.327	23%	0.234	S	C	.	.	H	α-helix	trans	-65.7	-44.2	171.7	-167.6	179.3	168	0	0	111.5	V462 K466 D549 H550 L551 I555 K556 E557	V462-E553 HydrophobicContact CG1-CG 4.19Å; K466-E553 WeakPolarHBondContact CE-OE1 3.38Å; K466-E553 IonicContact NZ-OE1 3.76Å; K466-E553 PolarHBondContact NZ-OE1 3.26Å; D549-E553 PolarHBondContact O-N 3.48Å; H550-E553 PolarHBondContact O-N 2.95Å; L551-E553 VanDerWaalsContact C-N 3.29Å; L551-E553 PolarHBondContact O-N 2.76Å; E553-I555 VanDerWaalsContact C-N 3.28Å; E553-I555 PolarHBondContact O-N 3.14Å; E553-K556 WeakPolarHBondContact O-CB 3.21Å; E553-K556 PolarHBondContact O-N 3.16Å; E553-K556 VanDerWaalsContact O-N 3.11Å; E553-E557 WeakPolarHBondContact O-CG 3.44Å; E553-E557 PolarHBondContact O-N 2.84Å
554	C	90.7	Very high	86.9	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.007	23%	0.229	C	C	.	.	H	α-helix	trans	-57.4	-40.8	176	-67.9	0	0	0	0	112.2	V465 H550 L551 E557 Y558	V465-C554 HydrophobicContact CB-CB 4.2Å; V465-C554 HydrophobicContact CG1-CB 3.91Å; V465-C554 HydrophobicContact CG2-CB 4.1Å; H550-C554 PolarHBondContact O-N 3.36Å; H550-C554 PolarHBondContact O-SG 3.1Å; L551-C554 WeakPolarHBondContact O-CB 3.34Å; L551-C554 PolarHBondContact O-N 3.43Å; C554-E557 PolarHBondContact O-N 3.37Å; C554-Y558 WeakPolarHBondContact O-CB 3.38Å; C554-Y558 PolarHBondContact O-N 3.46Å
555	I	91.9	Very high	87.8	Confident	2 Å²	2	40.6 Å²	40.6	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-67	-39.6	177.8	-68.4	166.9	0	0	0	111	L551 E553 Y558 R559 L585 R586 A589	L551-I555 HydrophobicContact CD1-CD1 4.33Å; L551-I555 HydrophobicContact CD1-CG1 4.39Å; L551-I555 HydrophobicContact CG-CD1 4.12Å; L551-I555 WeakPolarHBondContact O-CG1 3.41Å; L551-I555 PolarHBondContact O-N 2.93Å; E553-I555 VanDerWaalsContact C-N 3.28Å; E553-I555 PolarHBondContact O-N 3.14Å; I555-Y558 PolarHBondContact O-N 3.39Å; I555-R559 HydrophobicContact CG2-CG 4.39Å; I555-R559 WeakPolarHBondContact O-CB 3.05Å; I555-R559 VanDerWaalsContact O-CG 3.24Å; I555-R559 WeakPolarHBondContact O-CG 3.31Å; I555-R559 PolarHBondContact O-N 3.06Å; I555-L585 HydrophobicContact CD1-CB 4.29Å; I555-L585 HydrophobicContact CG1-CB 4.02Å; I555-R586 HydrophobicContact CD1-CG 4.26Å; I555-R586 HydrophobicContact CG2-CG 4.28Å; I555-A589 HydrophobicContact CD1-CB 3.58Å
556	K	91.3	Very high	88.2	Confident	131 Å²	131	40 Å²	40	57%	0.57	22%	0.215	S	C	*	.	H	α-helix	trans	-62.4	-47.4	176	-71.9	172.3	-177.3	176.9	0	111.5	L552 E553 Y558 R559 Q560	L552-K556 WeakPolarHBondContact O-CG 3.22Å; L552-K556 PolarHBondContact O-N 3.14Å; E553-K556 WeakPolarHBondContact O-CB 3.21Å; E553-K556 PolarHBondContact O-N 3.16Å; E553-K556 VanDerWaalsContact O-N 3.11Å; K556-Y558 VanDerWaalsContact C-N 3.34Å; K556-Y558 PolarHBondContact O-N 3.29Å; K556-R559 WeakPolarHBondContact O-CB 3.08Å; K556-R559 PolarHBondContact O-N 3.48Å; K556-Q560 PolarHBondContact O-N 3.2Å
557	E	89.6	Confident	88.1	Confident	54 Å²	54	38.2 Å²	38.2	25%	0.252	20%	0.201	S	C	.	.	H	α-helix	trans	-61.7	-43.3	176.2	-69.1	-64.6	163.2	0	0	111.6	K466 E553 C554 R559 Q560 C561	K466-E557 HydrophobicContact CD-CG 4.36Å; K466-E557 WeakPolarHBondContact CE-OE1 3.28Å; K466-E557 HydrophobicContact CG-CB 4.42Å; K466-E557 HydrophobicContact CG-CG 3.85Å; K466-E557 IonicContact NZ-OE1 2.65Å; E553-E557 WeakPolarHBondContact O-CG 3.44Å; E553-E557 PolarHBondContact O-N 2.84Å; C554-E557 PolarHBondContact O-N 3.37Å; E557-R559 PolarHBondContact O-N 2.92Å; E557-Q560 PolarHBondContact O-N 3.13Å; E557-C561 WeakPolarHBondContact O-CB 3.39Å; E557-C561 PolarHBondContact O-N 2.97Å
558	Y	92	Very high	87.7	Confident	4 Å²	4	43.1 Å²	43.1	2%	0.016	24%	0.237	C	C	.	.	H	α-helix	trans	-62.9	-40.2	176.6	-179.7	-105.9	0	0	0	112.6	M530 C554 I555 K556 C561 C562 F578 L581 A582	M530-Y558 HydrophobicContact CE-CD2 3.74Å; M530-Y558 HydrophobicContact CE-CE2 4.32Å; M530-Y558 HydrophobicContact SD-CD2 4.44Å; M530-Y558 HydrophobicContact SD-CE2 4.49Å; C554-Y558 WeakPolarHBondContact O-CB 3.38Å; C554-Y558 PolarHBondContact O-N 3.46Å; I555-Y558 PolarHBondContact O-N 3.39Å; K556-Y558 VanDerWaalsContact C-N 3.34Å; K556-Y558 PolarHBondContact O-N 3.29Å; Y558-C561 WeakPolarHBondContact O-CB 3.36Å; Y558-C561 PolarHBondContact O-N 3.34Å; Y558-C562 VanDerWaalsContact CE1-SG 3.54Å; Y558-C562 WeakPolarHBondContact O-CB 3.25Å; Y558-C562 PolarHBondContact O-N 3.47Å; Y558-C562 PolarHBondContact O-SG 3.01Å; Y558-F578 HydrophobicContact CE2-CD1 4.42Å; Y558-F578 WeakPolarHBondContact OH-CA 3.35Å; Y558-F578 WeakPolarHBondContact OH-CB 3.36Å; Y558-F578 WeakPolarHBondContact OH-CD1 3.35Å; Y558-F578 PolarHBondContact OH-O 3.22Å; Y558-F578 VanDerWaalsContact OH-O 3.04Å; Y558-L581 HydrophobicContact CE2-CD2 3.77Å; Y558-A582 HydrophobicContact CE1-CB 3.79Å
559	R	91.7	Very high	87.3	Confident	21 Å²	21	50.1 Å²	50.1	8%	0.079	27%	0.27	C	S	.	.	H	α-helix	trans	-62.9	-43.4	173.9	-77.4	169.1	168	172.2	-8	111.7	I555 K556 E557 C562 S563 D641 T647 E650	I555-R559 HydrophobicContact CG2-CG 4.39Å; I555-R559 WeakPolarHBondContact O-CB 3.05Å; I555-R559 VanDerWaalsContact O-CG 3.24Å; I555-R559 WeakPolarHBondContact O-CG 3.31Å; I555-R559 PolarHBondContact O-N 3.06Å; K556-R559 WeakPolarHBondContact O-CB 3.08Å; K556-R559 PolarHBondContact O-N 3.48Å; E557-R559 PolarHBondContact O-N 2.92Å; R559-C562 WeakPolarHBondContact O-CB 3.36Å; R559-C562 PolarHBondContact O-N 3.48Å; R559-S563 PolarHBondContact O-N 3.22Å; R559-D641 IonicContact CZ-OD2 4Å; R559-D641 PolarHBondContact NH1-O 3.29Å; R559-D641 IonicContact NH1-OD1 3.55Å; R559-D641 IonicContact NH1-OD2 3.47Å; R559-D641 PolarHBondContact NH1-OD2 3.06Å; R559-D641 PolarHBondContact NH2-O 3.15Å; R559-T647 HydrophobicContact CB-CG2 4.02Å; R559-T647 HydrophobicContact CG-CG2 4.01Å; R559-E650 VanDerWaalsContact CG-OE1 3.28Å; R559-E650 WeakPolarHBondContact CG-OE1 3.36Å; R559-E650 IonicContact CZ-OE1 3.82Å; R559-E650 IonicContact CZ-OE2 3.99Å; R559-E650 IonicContact NE-OE1 3.61Å; R559-E650 PolarHBondContact NE-OE1 2.83Å; R559-E650 IonicContact NE-OE2 2.98Å; R559-E650 IonicContact NH2-OE1 3.92Å; R559-E650 IonicContact NH2-OE2 2.69Å; R559-E650 PolarHBondContact NH2-OE2 2.89Å
560	Q	90.5	Very high	87	Confident	125 Å²	125	47.6 Å²	47.6	58%	0.584	26%	0.256	S	S	*	.	H	α-helix	trans	-63.5	-43.3	176.3	-176.7	172.3	-11.3	0	0	111.4	K556 E557 S563 S564	K556-Q560 PolarHBondContact O-N 3.2Å; E557-Q560 PolarHBondContact O-N 3.13Å; Q560-S563 PolarHBondContact O-N 2.87Å; Q560-S563 PolarHBondContact O-OG 3.21Å; Q560-S564 PolarHBondContact O-N 2.97Å; Q560-S564 PolarHBondContact O-OG 3.41Å
561	C	90.2	Very high	86.7	Confident	4 Å²	4	47 Å²	47	3%	0.027	26%	0.257	C	S	.	.	H	α-helix	trans	-57.8	-50.6	172.4	179.6	0	0	0	0	111.6	C469 T473 E557 Y558 S563 S564 L565	C469-C561 HydrophobicContact CB-CB 3.71Å; T473-C561 HydrophobicContact CG2-CB 4.47Å; E557-C561 WeakPolarHBondContact O-CB 3.39Å; E557-C561 PolarHBondContact O-N 2.97Å; Y558-C561 WeakPolarHBondContact O-CB 3.36Å; Y558-C561 PolarHBondContact O-N 3.34Å; C561-S563 PolarHBondContact O-N 3.31Å; C561-S564 PolarHBondContact O-N 3.3Å; C561-S564 PolarHBondContact O-OG 2.79Å; C561-L565 WeakPolarHBondContact O-CG 3.3Å; C561-L565 PolarHBondContact O-N 2.72Å
562	C	87.9	Confident	86.3	Confident	8 Å²	8	51.1 Å²	51.1	5%	0.054	29%	0.286	C	S	.	.	H	α-helix	trans	-57.2	-35.2	177.3	-78	0	0	0	0	113.4	Y558 R559 S564 I649	Y558-C562 VanDerWaalsContact CE1-SG 3.54Å; Y558-C562 WeakPolarHBondContact O-CB 3.25Å; Y558-C562 PolarHBondContact O-N 3.47Å; Y558-C562 PolarHBondContact O-SG 3.01Å; R559-C562 WeakPolarHBondContact O-CB 3.36Å; R559-C562 PolarHBondContact O-N 3.48Å; C562-S564 VanDerWaalsContact C-N 3.33Å; C562-I649 HydrophobicContact CB-CD1 3.45Å; C562-I649 VanDerWaalsContact CB-CD1 3.45Å
563	S	86.7	Confident	86.1	Confident	93 Å²	93	54.9 Å²	54.9	65%	0.65	30%	0.303	S	S	*	.	H	α-helix	trans	-72.1	-23.2	178.3	74.6	0	0	0	0	114.2	R559 Q560 C561	R559-S563 PolarHBondContact O-N 3.22Å; Q560-S563 PolarHBondContact O-N 2.87Å; Q560-S563 PolarHBondContact O-OG 3.21Å; C561-S563 PolarHBondContact O-N 3.31Å
564	S	86.8	Confident	86	Confident	65 Å²	65	51.5 Å²	51.5	46%	0.455	29%	0.287	S	S	.	.	H	α-helix	trans	-95.5	-12.8	-179.9	61.3	0	0	0	0	113.6	T473 Q560 C561 C562	T473-S564 WeakPolarHBondContact CG2-OG 3.14Å; Q560-S564 PolarHBondContact O-N 2.97Å; Q560-S564 PolarHBondContact O-OG 3.41Å; C561-S564 PolarHBondContact O-N 3.3Å; C561-S564 PolarHBondContact O-OG 2.79Å; C562-S564 VanDerWaalsContact C-N 3.33Å
565	L	87	Confident	85.8	Confident	12 Å²	12	53 Å²	53	6%	0.063	30%	0.298	C	S	.	.	S	Bend	trans	-77.8	138.9	177.2	-68.6	170.3	0	0	0	111.5	L472 I477 W480 C561 L567 F578	L472-L565 HydrophobicContact CB-CD2 4.3Å; I477-L565 HydrophobicContact CD1-CD2 4.16Å; I477-L565 HydrophobicContact CG1-CD2 3.91Å; W480-L565 HydrophobicContact CH2-CD2 4.21Å; W480-L565 HydrophobicContact CZ3-CB 4.35Å; W480-L565 HydrophobicContact CZ3-CD2 3.83Å; C561-L565 WeakPolarHBondContact O-CG 3.3Å; C561-L565 PolarHBondContact O-N 2.72Å; L565-L567 HydrophobicContact CB-CD1 4.1Å; L565-L567 HydrophobicContact CB-CD2 4.12Å; L565-L567 HydrophobicContact CB-CG 3.72Å; L565-L567 PolarHBondContact O-N 3Å; L565-F578 HydrophobicContact CD1-CZ 4.5Å
566	P	83.7	Confident	85.7	Confident	37 Å²	37	56.6 Å²	56.6	24%	0.24	32%	0.317	C	S	.	.			trans	-76.8	55.3	178.7	33.4	-37.6	0	0	0	112.4	W480 S568 E569	W480-P566 HydrophobicContact CE3-CG 4.16Å; W480-P566 HydrophobicContact CZ3-CG 4.41Å; P566-S568 VanDerWaalsContact C-N 3.27Å; P566-S568 PolarHBondContact O-N 3.19Å; P566-E569 PolarHBondContact O-N 2.93Å
567	L	76.4	Confident	85.6	Confident	16 Å²	16	51.2 Å²	51.2	8%	0.084	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-70.4	-21.5	-171.7	-64.1	169.2	0	0	0	113.5	W480 L565 E569 M570 F578 I649	W480-L567 HydrophobicContact CH2-CD2 4.17Å; L565-L567 HydrophobicContact CB-CD1 4.1Å; L565-L567 HydrophobicContact CB-CD2 4.12Å; L565-L567 HydrophobicContact CB-CG 3.72Å; L565-L567 PolarHBondContact O-N 3Å; L567-E569 PolarHBondContact O-N 3.44Å; L567-M570 PolarHBondContact O-N 3.29Å; L567-M570 VanDerWaalsContact O-N 3.12Å; L567-F578 HydrophobicContact CD2-CD2 3.88Å; L567-F578 HydrophobicContact CD2-CE2 3.86Å; L567-I649 HydrophobicContact CD1-CD1 3.1Å; L567-I649 HydrophobicContact CD1-CG1 3.79Å
568	S	73.5	Confident	85.7	Confident	117 Å²	117	48.7 Å²	48.7	82%	0.818	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-63.4	-23.5	176	53	0	0	0	0	113.6	P566	P566-S568 VanDerWaalsContact C-N 3.27Å; P566-S568 PolarHBondContact O-N 3.19Å
569	E	75.9	Confident	85.6	Confident	150 Å²	150	48.9 Å²	48.9	70%	0.701	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-89.6	-9.1	179	-62	-178.3	-179	0	0	112.3	P566 L567	P566-E569 PolarHBondContact O-N 2.93Å; L567-E569 PolarHBondContact O-N 3.44Å
570	M	80.4	Confident	85.6	Confident	25 Å²	25	52.7 Å²	52.7	12%	0.123	30%	0.301	C	S	.	.	S	Bend	trans	-94.5	165.8	-171.1	-59.8	-64.3	100.4	0	0	112.5	W480 L567	W480-M570 HydrophobicContact CD2-SD 4.01Å; W480-M570 HydrophobicContact CE3-SD 4.29Å; W480-M570 HydrophobicContact CG-SD 4.13Å; L567-M570 PolarHBondContact O-N 3.29Å; L567-M570 VanDerWaalsContact O-N 3.12Å
571	S	82.6	Confident	85.6	Confident	36 Å²	36	46.7 Å²	46.7	25%	0.252	27%	0.274	S	S	.	.			trans	-68.4	151.2	176.6	64.4	0	0	0	0	111.8	E573 I574 C575	S571-E573 PolarHBondContact O-N 3.14Å; S571-I574 PolarHBondContact O-N 3.09Å; S571-I574 VanDerWaalsContact O-N 3.16Å; S571-I574 WeakPolarHBondContact OG-CD1 3.46Å; S571-I574 WeakPolarHBondContact OG-CG1 3.28Å; S571-C575 PolarHBondContact O-N 2.75Å
572	S	83.4	Confident	85.7	Confident	87 Å²	87	46.7 Å²	46.7	61%	0.608	27%	0.274	S	S	*	.	H	α-helix	trans	-58.3	-33.9	177.6	55	0	0	0	0	112.7	I574 C575 D576	S572-I574 VanDerWaalsContact C-N 3.33Å; S572-I574 PolarHBondContact O-N 3.07Å; S572-C575 WeakPolarHBondContact O-CB 3.45Å; S572-C575 PolarHBondContact O-N 3.27Å; S572-D576 PolarHBondContact O-N 2.99Å
573	E	87.1	Confident	85.9	Confident	94 Å²	94	47.6 Å²	47.6	44%	0.439	28%	0.276	S	S	.	.	H	α-helix	trans	-60.3	-40.5	178.3	-63	167.4	168.6	0	0	112.2	L520 S571 D576 I577	L520-E573 HydrophobicContact CD2-CB 3.97Å; S571-E573 PolarHBondContact O-N 3.14Å; E573-D576 PolarHBondContact O-N 3.25Å; E573-I577 WeakPolarHBondContact O-CG1 3.35Å; E573-I577 PolarHBondContact O-N 3.48Å
574	I	86.6	Confident	86.1	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-68	-43.9	176.9	-68.4	169.6	0	0	0	110.1	N519 L520 V523 S571 S572 D576 I577 F578	N519-I574 VanDerWaalsContact ND2-CD1 3.32Å; N519-I574 WeakPolarHBondContact ND2-CD1 3.5Å; L520-I574 HydrophobicContact CD2-CG1 3.9Å; V523-I574 HydrophobicContact CG1-CG2 4.24Å; V523-I574 HydrophobicContact CG2-CG2 4.11Å; S571-I574 PolarHBondContact O-N 3.09Å; S571-I574 VanDerWaalsContact O-N 3.16Å; S571-I574 WeakPolarHBondContact OG-CD1 3.46Å; S571-I574 WeakPolarHBondContact OG-CG1 3.28Å; S572-I574 VanDerWaalsContact C-N 3.33Å; S572-I574 PolarHBondContact O-N 3.07Å; I574-D576 VanDerWaalsContact C-N 3.27Å; I574-D576 PolarHBondContact O-N 3.26Å; I574-I577 PolarHBondContact O-N 3.07Å; I574-F578 HydrophobicContact CG2-CD2 4Å; I574-F578 HydrophobicContact CG2-CE2 3.74Å; I574-F578 WeakPolarHBondContact O-CD2 3.24Å; I574-F578 PolarHBondContact O-N 3.49Å
575	C	87.2	Confident	86.3	Confident	33 Å²	33	41.5 Å²	41.5	22%	0.223	23%	0.231	C	C	.	.	H	α-helix	trans	-60.4	-38.2	175.8	-62.8	0	0	0	0	111.7	S571 S572 F578 A579	S571-C575 PolarHBondContact O-N 2.75Å; S572-C575 WeakPolarHBondContact O-CB 3.45Å; S572-C575 PolarHBondContact O-N 3.27Å; C575-F578 PolarHBondContact O-N 2.99Å; C575-A579 VanDerWaalsContact O-CB 3.29Å; C575-A579 WeakPolarHBondContact O-CB 3.38Å; C575-A579 PolarHBondContact O-N 3.15Å
576	D	89.2	Confident	86.6	Confident	77 Å²	77	41 Å²	41	41%	0.412	23%	0.228	S	C	.	.	H	α-helix	trans	-66.9	-34.8	177.8	-77.6	-41	0	0	0	112.6	S572 E573 I574 A579 K580 K651	S572-D576 PolarHBondContact O-N 2.99Å; E573-D576 PolarHBondContact O-N 3.25Å; I574-D576 VanDerWaalsContact C-N 3.27Å; I574-D576 PolarHBondContact O-N 3.26Å; D576-A579 PolarHBondContact O-N 3Å; D576-K580 VanDerWaalsContact O-CB 3.26Å; D576-K580 WeakPolarHBondContact O-CB 3.38Å; D576-K580 PolarHBondContact O-N 3.15Å; D576-K651 IonicContact OD1-NZ 2.65Å; D576-K651 PolarHBondContact OD1-NZ 2.96Å
577	I	89.9	Confident	87	Confident	17 Å²	17	41.2 Å²	41.2	9%	0.087	23%	0.226	C	C	.	.	H	α-helix	trans	-65	-46.5	175.1	-62.4	162.3	0	0	0	110.7	L520 V523 H524 E573 I574 K580 L581	L520-I577 HydrophobicContact CD2-CD1 3.83Å; V523-I577 HydrophobicContact CB-CD1 4.41Å; V523-I577 HydrophobicContact CG1-CB 4Å; V523-I577 HydrophobicContact CG1-CD1 3.97Å; V523-I577 HydrophobicContact CG1-CG2 3.83Å; H524-I577 VanDerWaalsContact CE1-CD1 3.48Å; H524-I577 WeakPolarHBondContact CE1-CD1 3.46Å; H524-I577 VanDerWaalsContact NE2-CD1 3.35Å; H524-I577 WeakPolarHBondContact NE2-CD1 3.45Å; E573-I577 WeakPolarHBondContact O-CG1 3.35Å; E573-I577 PolarHBondContact O-N 3.48Å; I574-I577 PolarHBondContact O-N 3.07Å; I577-K580 PolarHBondContact O-N 3.25Å; I577-L581 PolarHBondContact O-N 3.49Å
578	F	90.9	Very high	87.6	Confident	1 Å²	1	42 Å²	42	0%	0.004	23%	0.229	C	C	.	.	H	α-helix	trans	-65.2	-41.7	175.9	-72.4	-56	0	0	0	111.6	L472 W480 V523 Y558 L565 L567 I574 C575 K580 L581 A582 I649	L472-F578 HydrophobicContact CD1-CE1 4.36Å; L472-F578 HydrophobicContact CD2-CE1 4.37Å; L472-F578 HydrophobicContact CD2-CZ 4.1Å; W480-F578 HydrophobicContact CH2-CE2 4.17Å; W480-F578 HydrophobicContact CH2-CZ 4.4Å; W480-F578 HydrophobicContact CZ2-CE2 4.39Å; V523-F578 HydrophobicContact CG1-CD2 4.41Å; V523-F578 HydrophobicContact CG1-CE1 4.29Å; V523-F578 HydrophobicContact CG1-CE2 3.94Å; V523-F578 HydrophobicContact CG1-CZ 3.89Å; Y558-F578 HydrophobicContact CE2-CD1 4.42Å; Y558-F578 WeakPolarHBondContact OH-CA 3.35Å; Y558-F578 WeakPolarHBondContact OH-CB 3.36Å; Y558-F578 WeakPolarHBondContact OH-CD1 3.35Å; Y558-F578 PolarHBondContact OH-O 3.22Å; Y558-F578 VanDerWaalsContact OH-O 3.04Å; L565-F578 HydrophobicContact CD1-CZ 4.5Å; L567-F578 HydrophobicContact CD2-CD2 3.88Å; L567-F578 HydrophobicContact CD2-CE2 3.86Å; I574-F578 HydrophobicContact CG2-CD2 4Å; I574-F578 HydrophobicContact CG2-CE2 3.74Å; I574-F578 WeakPolarHBondContact O-CD2 3.24Å; I574-F578 PolarHBondContact O-N 3.49Å; C575-F578 PolarHBondContact O-N 2.99Å; F578-K580 VanDerWaalsContact C-N 3.27Å; F578-K580 PolarHBondContact O-N 3.49Å; F578-L581 PolarHBondContact O-N 3.29Å; F578-A582 WeakPolarHBondContact O-CB 3.29Å; F578-A582 PolarHBondContact O-N 2.93Å; F578-I649 HydrophobicContact CB-CG2 4.16Å
579	A	90	Very high	88.5	Confident	8 Å²	8	36.4 Å²	36.4	7%	0.066	19%	0.19	C	C	.	.	H	α-helix	trans	-59.6	-39.7	174.5	0	0	0	0	0	111.9	C575 D576 A582 Y583 I649	C575-A579 VanDerWaalsContact O-CB 3.29Å; C575-A579 WeakPolarHBondContact O-CB 3.38Å; C575-A579 PolarHBondContact O-N 3.15Å; D576-A579 PolarHBondContact O-N 3Å; A579-A582 PolarHBondContact O-N 3.37Å; A579-Y583 WeakPolarHBondContact O-CB 3.37Å; A579-Y583 PolarHBondContact O-N 2.93Å; A579-I649 HydrophobicContact CB-CG2 3.82Å; A579-I649 WeakPolarHBondContact CB-O 3.33Å
580	K	91.2	Very high	89.3	Confident	101 Å²	101	29.3 Å²	29.3	44%	0.439	16%	0.157	S	C	.	.	H	α-helix	trans	-66.1	-43.2	176.8	-178.2	53.7	175.7	153.7	0	111.8	D576 I577 F578 Y583 D584	D576-K580 VanDerWaalsContact O-CB 3.26Å; D576-K580 WeakPolarHBondContact O-CB 3.38Å; D576-K580 PolarHBondContact O-N 3.15Å; I577-K580 PolarHBondContact O-N 3.25Å; F578-K580 VanDerWaalsContact C-N 3.27Å; F578-K580 PolarHBondContact O-N 3.49Å; K580-Y583 WeakPolarHBondContact O-CB 3.37Å; K580-Y583 PolarHBondContact O-N 2.85Å; K580-D584 WeakPolarHBondContact CE-OD1 3.5Å; K580-D584 IonicContact NZ-OD1 2.62Å; K580-D584 PolarHBondContact NZ-OD1 3.11Å; K580-D584 IonicContact NZ-OD2 3.47Å; K580-D584 PolarHBondContact O-N 2.91Å
581	L	91.9	Very high	89.8	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.2	-47.7	173.7	-177.2	63.2	0	0	0	111.5	M530 R531 Y558 I577 F578 Y583 D584 L585	M530-L581 HydrophobicContact CB-CD1 4.4Å; M530-L581 HydrophobicContact CB-CD2 4.12Å; M530-L581 HydrophobicContact CE-CD2 4.39Å; M530-L581 HydrophobicContact SD-CD2 3.91Å; R531-L581 HydrophobicContact CB-CD1 4Å; Y558-L581 HydrophobicContact CE2-CD2 3.77Å; I577-L581 PolarHBondContact O-N 3.49Å; F578-L581 PolarHBondContact O-N 3.29Å; L581-Y583 VanDerWaalsContact C-N 3.25Å; L581-Y583 PolarHBondContact O-N 3.36Å; L581-D584 PolarHBondContact O-N 3.3Å; L581-D584 VanDerWaalsContact O-N 3.15Å; L581-L585 HydrophobicContact CD1-CD1 4.29Å; L581-L585 HydrophobicContact CD1-CG 4.2Å; L581-L585 HydrophobicContact CG-CD1 4.1Å; L581-L585 HydrophobicContact CG-CG 4.37Å; L581-L585 WeakPolarHBondContact O-CG 3.49Å; L581-L585 PolarHBondContact O-N 3.2Å
582	A	91.5	Very high	90.2	Very high	3 Å²	3	32.7 Å²	32.7	3%	0.025	16%	0.164	C	C	.	.	H	α-helix	trans	-56.5	-42.2	177	0	0	0	0	0	111.6	Y558 F578 A579 R586 E650	Y558-A582 HydrophobicContact CE1-CB 3.79Å; F578-A582 WeakPolarHBondContact O-CB 3.29Å; F578-A582 PolarHBondContact O-N 2.93Å; A579-A582 PolarHBondContact O-N 3.37Å; A582-R586 WeakPolarHBondContact O-CB 3.37Å; A582-R586 WeakPolarHBondContact O-CG 3.38Å; A582-R586 PolarHBondContact O-N 2.94Å; A582-R586 VanDerWaalsContact O-N 3.1Å; A582-R586 PolarHBondContact O-NE 2.9Å; A582-R586 VanDerWaalsContact O-NE 3.07Å; A582-E650 HydrophobicContact CB-CG 4.01Å
583	Y	91.6	Very high	90.7	Very high	28 Å²	28	28.6 Å²	28.6	11%	0.11	14%	0.135	C	C	.	.	H	α-helix	trans	-62.9	-48.3	175.8	175.1	-85.9	0	0	0	111.8	A579 K580 L581 L585 R586 K587 L653 S656 L659	A579-Y583 WeakPolarHBondContact O-CB 3.37Å; A579-Y583 PolarHBondContact O-N 2.93Å; K580-Y583 WeakPolarHBondContact O-CB 3.37Å; K580-Y583 PolarHBondContact O-N 2.85Å; L581-Y583 VanDerWaalsContact C-N 3.25Å; L581-Y583 PolarHBondContact O-N 3.36Å; Y583-L585 PolarHBondContact O-N 3.13Å; Y583-R586 PolarHBondContact O-N 2.77Å; Y583-K587 HydrophobicContact CE1-CD 4.25Å; Y583-K587 VanDerWaalsContact O-CB 3.31Å; Y583-K587 WeakPolarHBondContact O-CB 3.43Å; Y583-K587 PolarHBondContact O-N 2.64Å; Y583-L653 HydrophobicContact CD2-CD2 3.56Å; Y583-L653 HydrophobicContact CE2-CD2 3.86Å; Y583-L653 HydrophobicContact CG-CD2 4.28Å; Y583-S656 WeakPolarHBondContact OH-CB 3.36Å; Y583-S656 PolarHBondContact OH-OG 3.41Å; Y583-L659 HydrophobicContact CE2-CD1 3.6Å; Y583-L659 VanDerWaalsContact OH-CD1 3.29Å; Y583-L659 WeakPolarHBondContact OH-CD1 3.5Å; Y583-L659 WeakPolarHBondContact OH-CG 3.43Å
584	D	90.7	Very high	91.1	Very high	25 Å²	25	24.3 Å²	24.3	13%	0.134	12%	0.115	C	C	.	.	H	α-helix	trans	-63.3	-43.2	-178	-64.5	-24.9	0	0	0	111.6	R531 K580 L581 K587 L588	R531-D584 IonicContact CZ-OD2 3.99Å; R531-D584 IonicContact NE-OD2 3.05Å; R531-D584 PolarHBondContact NE-OD2 2.78Å; R531-D584 IonicContact NH2-OD2 2.71Å; R531-D584 PolarHBondContact NH2-OD2 2.87Å; K580-D584 WeakPolarHBondContact CE-OD1 3.5Å; K580-D584 IonicContact NZ-OD1 2.62Å; K580-D584 PolarHBondContact NZ-OD1 3.11Å; K580-D584 IonicContact NZ-OD2 3.47Å; K580-D584 PolarHBondContact O-N 2.91Å; L581-D584 PolarHBondContact O-N 3.3Å; L581-D584 VanDerWaalsContact O-N 3.15Å; D584-K587 PolarHBondContact O-N 3.12Å; D584-L588 WeakPolarHBondContact O-CG 3.43Å; D584-L588 PolarHBondContact O-N 3.12Å
585	L	91.9	Very high	91.3	Very high	4 Å²	4	26 Å²	26	2%	0.021	12%	0.124	C	C	.	.	H	α-helix	trans	-65.2	-45.9	177.9	-64.7	179.4	0	0	0	112	V534 L551 I555 L581 Y583 K587 L588 A589	V534-L585 HydrophobicContact CB-CD2 4.08Å; V534-L585 HydrophobicContact CG1-CD2 3.87Å; V534-L585 HydrophobicContact CG2-CD2 3.78Å; L551-L585 HydrophobicContact CD1-CD2 4.23Å; I555-L585 HydrophobicContact CD1-CB 4.29Å; I555-L585 HydrophobicContact CG1-CB 4.02Å; L581-L585 HydrophobicContact CD1-CD1 4.29Å; L581-L585 HydrophobicContact CD1-CG 4.2Å; L581-L585 HydrophobicContact CG-CD1 4.1Å; L581-L585 HydrophobicContact CG-CG 4.37Å; L581-L585 WeakPolarHBondContact O-CG 3.49Å; L581-L585 PolarHBondContact O-N 3.2Å; Y583-L585 PolarHBondContact O-N 3.13Å; L585-K587 PolarHBondContact O-N 2.94Å; L585-L588 PolarHBondContact O-N 2.77Å; L585-A589 PolarHBondContact O-N 2.99Å
586	R	93.1	Very high	91.6	Very high	1 Å²	1	26.9 Å²	26.9	0%	0.004	12%	0.123	C	C	.	.	H	α-helix	trans	-65.8	-37.7	178.5	-70.1	-179.9	-60	136.6	-8.2	112	I555 A582 Y583 A589 V590 Q642 K651 L653	I555-R586 HydrophobicContact CD1-CG 4.26Å; I555-R586 HydrophobicContact CG2-CG 4.28Å; A582-R586 WeakPolarHBondContact O-CB 3.37Å; A582-R586 WeakPolarHBondContact O-CG 3.38Å; A582-R586 PolarHBondContact O-N 2.94Å; A582-R586 VanDerWaalsContact O-N 3.1Å; A582-R586 PolarHBondContact O-NE 2.9Å; A582-R586 VanDerWaalsContact O-NE 3.07Å; Y583-R586 PolarHBondContact O-N 2.77Å; R586-A589 WeakPolarHBondContact O-CB 3.17Å; R586-A589 PolarHBondContact O-N 3.37Å; R586-V590 WeakPolarHBondContact O-CG2 3.39Å; R586-V590 PolarHBondContact O-N 3.28Å; R586-Q642 HydrophobicContact CB-CB 4.47Å; R586-Q642 WeakPolarHBondContact CD-O 3.22Å; R586-Q642 PolarHBondContact NH1-O 3.4Å; R586-Q642 VanDerWaalsContact NH1-O 3.12Å; R586-K651 PolarHBondContact NH1-O 2.69Å; R586-K651 PolarHBondContact NH2-O 3.07Å; R586-L653 HydrophobicContact CB-CD1 4.1Å; R586-L653 HydrophobicContact CB-CD2 4.13Å
587	K	91.8	Very high	91.8	Very high	43 Å²	43	23.3 Å²	23.3	19%	0.187	10%	0.104	C	C	.	.	H	α-helix	trans	-58.5	-46.7	172.1	174.5	177.8	179.3	-174.8	0	111.5	Y583 D584 L585 A589 V590 R591 E658 L659 W666	Y583-K587 HydrophobicContact CE1-CD 4.25Å; Y583-K587 VanDerWaalsContact O-CB 3.31Å; Y583-K587 WeakPolarHBondContact O-CB 3.43Å; Y583-K587 PolarHBondContact O-N 2.64Å; D584-K587 PolarHBondContact O-N 3.12Å; L585-K587 PolarHBondContact O-N 2.94Å; K587-A589 VanDerWaalsContact C-N 3.31Å; K587-A589 PolarHBondContact O-N 3.03Å; K587-V590 PolarHBondContact O-N 3.33Å; K587-R591 PolarHBondContact O-N 2.85Å; K587-E658 IonicContact NZ-OE1 3.33Å; K587-E658 PolarHBondContact NZ-OE1 2.79Å; K587-E658 IonicContact NZ-OE2 3.51Å; K587-E658 PolarHBondContact NZ-OE2 3.48Å; K587-L659 HydrophobicContact CB-CD1 4.38Å; K587-L659 HydrophobicContact CD-CD2 4.24Å; K587-L659 HydrophobicContact CG-CD1 4.49Å; K587-L659 HydrophobicContact CG-CD2 3.9Å; K587-W666 HydrophobicContact CG-CH2 4.06Å
588	L	89.5	Confident	92	Very high	31 Å²	31	24.8 Å²	24.8	16%	0.162	11%	0.111	C	C	.	.	H	α-helix	trans	-63.5	-37.6	176.3	-72.2	170.2	0	0	0	111.8	V534 L535 L551 D584 L585 R591 G592	V534-L588 HydrophobicContact CG1-CD1 3.87Å; L535-L588 HydrophobicContact CD2-CD1 3.76Å; L535-L588 HydrophobicContact CD2-CD2 4.25Å; L551-L588 HydrophobicContact CD2-CB 3.85Å; D584-L588 WeakPolarHBondContact O-CG 3.43Å; D584-L588 PolarHBondContact O-N 3.12Å; L585-L588 PolarHBondContact O-N 2.77Å; L588-R591 PolarHBondContact O-N 3.34Å; L588-G592 PolarHBondContact O-N 3.07Å
589	A	91.7	Very high	92.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64.1	-46.2	177.5	0	0	0	0	0	112	L551 L552 I555 L585 R586 K587 R591 G592 I593 Q642	L551-A589 HydrophobicContact CD2-CB 3.82Å; L551-A589 HydrophobicContact CG-CB 4.22Å; L552-A589 HydrophobicContact CD2-CB 4.04Å; I555-A589 HydrophobicContact CD1-CB 3.58Å; L585-A589 PolarHBondContact O-N 2.99Å; R586-A589 WeakPolarHBondContact O-CB 3.17Å; R586-A589 PolarHBondContact O-N 3.37Å; K587-A589 VanDerWaalsContact C-N 3.31Å; K587-A589 PolarHBondContact O-N 3.03Å; A589-R591 VanDerWaalsContact C-N 3.33Å; A589-R591 PolarHBondContact O-N 3.35Å; A589-G592 PolarHBondContact O-N 2.64Å; A589-G592 VanDerWaalsContact O-N 3.14Å; A589-I593 VanDerWaalsContact O-CG1 3.25Å; A589-I593 WeakPolarHBondContact O-CG1 3.33Å; A589-I593 PolarHBondContact O-N 2.96Å; A589-Q642 HydrophobicContact CB-CG 4.22Å
590	V	92.9	Very high	92.2	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	14%	0.136	C	C	.	.	H	α-helix	trans	-57.9	-46.3	176	171.5	0	0	0	0	111.2	R586 K587 G592 I593 F594 Q642 L653 F663 W666	R586-V590 WeakPolarHBondContact O-CG2 3.39Å; R586-V590 PolarHBondContact O-N 3.28Å; K587-V590 PolarHBondContact O-N 3.33Å; V590-G592 VanDerWaalsContact C-N 3.34Å; V590-G592 PolarHBondContact O-N 3.04Å; V590-I593 PolarHBondContact O-N 3.45Å; V590-F594 HydrophobicContact CG1-CD2 4.03Å; V590-F594 HydrophobicContact CG1-CE2 3.87Å; V590-F594 WeakPolarHBondContact O-CD2 3.36Å; V590-F594 PolarHBondContact O-N 3.34Å; V590-Q642 HydrophobicContact CG2-CB 3.91Å; V590-L653 HydrophobicContact CG2-CD1 4.05Å; V590-F663 HydrophobicContact CG1-CD2 3.59Å; V590-F663 HydrophobicContact CG1-CE2 3.58Å; V590-W666 HydrophobicContact CG1-CE3 3.98Å; V590-W666 HydrophobicContact CG1-CZ3 4.14Å
591	R	91.8	Very high	92.4	Very high	130 Å²	130	24.7 Å²	24.7	49%	0.491	12%	0.115	S	C	.	.	H	α-helix	trans	-59.4	-46.1	175.3	-179.2	-176.8	170.4	-159.1	-5.4	111.3	K587 L588 A589 I593 F594 L595 W666	K587-R591 PolarHBondContact O-N 2.85Å; L588-R591 PolarHBondContact O-N 3.34Å; A589-R591 VanDerWaalsContact C-N 3.33Å; A589-R591 PolarHBondContact O-N 3.35Å; R591-I593 VanDerWaalsContact C-N 3.34Å; R591-I593 PolarHBondContact O-N 3.29Å; R591-F594 PolarHBondContact O-N 3.39Å; R591-L595 VanDerWaalsContact O-CB 3.32Å; R591-L595 WeakPolarHBondContact O-CB 3.31Å; R591-L595 PolarHBondContact O-N 3.09Å; R591-W666 HydrophobicContact CB-CD2 4.27Å; R591-W666 HydrophobicContact CB-CE3 4.2Å; R591-W666 HydrophobicContact CB-CH2 4.04Å; R591-W666 HydrophobicContact CB-CZ2 4.11Å; R591-W666 HydrophobicContact CB-CZ3 4.08Å; R591-W666 HydrophobicContact CG-CD2 4.43Å; R591-W666 HydrophobicContact CG-CZ2 4.22Å
592	G	90.2	Very high	92.4	Very high	3 Å²	3	26.4 Å²	26.4	3%	0.031	12%	0.123	C	C	.	.	H	α-helix	trans	-60.7	-39.9	178.3	0	0	0	0	0	113	T548 L588 A589 V590 L595 R596	T548-G592 PolarHBondContact OG1-O 3.06Å; L588-G592 PolarHBondContact O-N 3.07Å; A589-G592 PolarHBondContact O-N 2.64Å; A589-G592 VanDerWaalsContact O-N 3.14Å; V590-G592 VanDerWaalsContact C-N 3.34Å; V590-G592 PolarHBondContact O-N 3.04Å; G592-L595 PolarHBondContact O-N 3.45Å; G592-R596 WeakPolarHBondContact O-CB 3.21Å; G592-R596 PolarHBondContact O-N 3.35Å
593	I	94.4	Very high	92.4	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61	-49.5	177.8	-68.3	162.6	0	0	0	110.7	T548 L552 A589 V590 R591 R596 A597 L638 Q642	T548-I593 HydrophobicContact CG2-CG1 3.99Å; L552-I593 HydrophobicContact CD2-CD1 4.38Å; A589-I593 VanDerWaalsContact O-CG1 3.25Å; A589-I593 WeakPolarHBondContact O-CG1 3.33Å; A589-I593 PolarHBondContact O-N 2.96Å; V590-I593 PolarHBondContact O-N 3.45Å; R591-I593 VanDerWaalsContact C-N 3.34Å; R591-I593 PolarHBondContact O-N 3.29Å; I593-R596 PolarHBondContact O-N 3.49Å; I593-A597 PolarHBondContact O-N 3.26Å; I593-L638 HydrophobicContact CD1-CB 4.41Å; I593-L638 HydrophobicContact CD1-CD2 4.09Å; I593-L638 HydrophobicContact CD1-CG 3.84Å; I593-L638 HydrophobicContact CG1-CD2 3.92Å; I593-L638 HydrophobicContact CG1-CG 4.25Å; I593-L638 HydrophobicContact CG2-CB 4.5Å; I593-L638 HydrophobicContact CG2-CD2 4.3Å; I593-Q642 HydrophobicContact CD1-CG 4.34Å
594	F	94.5	Very high	92.5	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.018	14%	0.135	C	C	.	.	H	α-helix	trans	-69.6	-34	179.4	-72.9	-57.5	0	0	0	113.2	V590 R591 A597 Q598 F636 F663 W666	V590-F594 HydrophobicContact CG1-CD2 4.03Å; V590-F594 HydrophobicContact CG1-CE2 3.87Å; V590-F594 WeakPolarHBondContact O-CD2 3.36Å; V590-F594 PolarHBondContact O-N 3.34Å; R591-F594 PolarHBondContact O-N 3.39Å; F594-A597 WeakPolarHBondContact O-CB 3.25Å; F594-A597 PolarHBondContact O-N 3.14Å; F594-Q598 WeakPolarHBondContact O-CB 3.44Å; F594-Q598 PolarHBondContact O-N 3.37Å; F594-F636 AromaticContact CE1-CD1 3.71Å; F594-F636 HydrophobicContact CE1-CD1 3.71Å; F594-F636 AromaticContact CE1-CE1 3.56Å; F594-F636 HydrophobicContact CE1-CE1 3.56Å; F594-F636 AromaticContact CZ-CD1 3.86Å; F594-F636 HydrophobicContact CZ-CD1 3.86Å; F594-F636 AromaticContact CZ-CE1 3.83Å; F594-F636 HydrophobicContact CZ-CE1 3.83Å; F594-F663 HydrophobicContact CE2-CD2 4.43Å; F594-F663 HydrophobicContact CE2-CE1 4.36Å; F594-F663 HydrophobicContact CE2-CE2 4.04Å; F594-F663 HydrophobicContact CE2-CZ 4.01Å; F594-F663 HydrophobicContact CZ-CE1 4.27Å; F594-F663 HydrophobicContact CZ-CZ 4.04Å; F594-W666 HydrophobicContact CB-CB 4.13Å; F594-W666 HydrophobicContact CD2-CB 3.76Å; F594-W666 HydrophobicContact CG-CB 4.18Å
595	L	92	Very high	92.4	Very high	36 Å²	36	28.2 Å²	28.2	19%	0.188	14%	0.136	C	C	.	.	H	α-helix	trans	-65.6	-42.1	173.9	-175.2	54.1	0	0	0	111.6	E544 R591 G592 A597 Q598 L599	E544-L595 WeakPolarHBondContact OE2-CD2 3.34Å; E544-L595 WeakPolarHBondContact OE2-CG 3.34Å; R591-L595 VanDerWaalsContact O-CB 3.32Å; R591-L595 WeakPolarHBondContact O-CB 3.31Å; R591-L595 PolarHBondContact O-N 3.09Å; G592-L595 PolarHBondContact O-N 3.45Å; L595-A597 VanDerWaalsContact C-N 3.32Å; L595-A597 PolarHBondContact O-N 3.46Å; L595-Q598 WeakPolarHBondContact O-CB 3.2Å; L595-Q598 PolarHBondContact O-N 3.07Å; L595-L599 WeakPolarHBondContact O-CG 3.45Å; L595-L599 PolarHBondContact O-N 3.43Å
596	R	92	Very high	92.2	Very high	52 Å²	52	34.7 Å²	34.7	20%	0.196	17%	0.168	C	C	.	.	H	α-helix	trans	-60.2	-43.2	171.3	-179.5	179.4	74.6	173.1	4.7	111.4	T545 D549 G592 I593 L599 T600	T545-R596 HydrophobicContact CG2-CB 4.35Å; T545-R596 HydrophobicContact CG2-CG 3.87Å; D549-R596 IonicContact OD1-NH1 2.86Å; D549-R596 PolarHBondContact OD1-NH1 3.29Å; D549-R596 IonicContact OD2-NH1 2.93Å; G592-R596 WeakPolarHBondContact O-CB 3.21Å; G592-R596 PolarHBondContact O-N 3.35Å; I593-R596 PolarHBondContact O-N 3.49Å; R596-L599 PolarHBondContact O-N 3.35Å; R596-T600 VanDerWaalsContact O-CB 3.31Å; R596-T600 WeakPolarHBondContact O-CB 3.34Å; R596-T600 PolarHBondContact O-N 3.23Å; R596-T600 PolarHBondContact O-OG1 3.46Å
597	A	94.8	Very high	91.7	Very high	2 Å²	2	41 Å²	41	2%	0.017	20%	0.196	C	C	.	.	H	α-helix	trans	-58.9	-49.4	176.4	0	0	0	0	0	110.9	I593 F594 L595 L599 T600 I601 I631 I632 S635	I593-A597 PolarHBondContact O-N 3.26Å; F594-A597 WeakPolarHBondContact O-CB 3.25Å; F594-A597 PolarHBondContact O-N 3.14Å; L595-A597 VanDerWaalsContact C-N 3.32Å; L595-A597 PolarHBondContact O-N 3.46Å; A597-L599 PolarHBondContact O-N 2.96Å; A597-T600 PolarHBondContact O-N 3.41Å; A597-I601 WeakPolarHBondContact O-CB 3.36Å; A597-I601 WeakPolarHBondContact O-CD1 3.37Å; A597-I601 VanDerWaalsContact O-CG1 3.27Å; A597-I601 WeakPolarHBondContact O-CG1 3.17Å; A597-I601 PolarHBondContact O-N 3.14Å; A597-I631 HydrophobicContact CB-CG2 4.04Å; A597-I632 HydrophobicContact CB-CD1 4.38Å; A597-S635 VanDerWaalsContact CB-OG 3.28Å; A597-S635 WeakPolarHBondContact CB-OG 3.37Å
598	Q	94.5	Very high	91.6	Very high	48 Å²	48	40.2 Å²	40.2	22%	0.224	19%	0.193	C	C	.	.	H	α-helix	trans	-54.1	-55.3	175.3	175.8	-175.5	-7.6	0	0	111.4	F594 L595 T600 I601 E602	F594-Q598 WeakPolarHBondContact O-CB 3.44Å; F594-Q598 PolarHBondContact O-N 3.37Å; L595-Q598 WeakPolarHBondContact O-CB 3.2Å; L595-Q598 PolarHBondContact O-N 3.07Å; Q598-T600 VanDerWaalsContact C-N 3.28Å; Q598-T600 PolarHBondContact O-N 3.4Å; Q598-I601 PolarHBondContact O-N 2.89Å; Q598-E602 WeakPolarHBondContact CG-OE1 3.16Å; Q598-E602 PolarHBondContact NE2-OE1 3.4Å; Q598-E602 WeakPolarHBondContact O-CG 3.28Å; Q598-E602 PolarHBondContact O-N 2.86Å
599	L	92	Very high	91.4	Very high	60 Å²	60	49.4 Å²	49.4	31%	0.314	23%	0.225	S	C	.	.	H	α-helix	trans	-60.9	-39.7	-178.5	-68.1	175.4	0	0	0	111.7	E544 T545 L595 R596 A597 E602 T603	E544-L599 HydrophobicContact CB-CD1 4.47Å; T545-L599 HydrophobicContact CG2-CD1 4.21Å; L595-L599 WeakPolarHBondContact O-CG 3.45Å; L595-L599 PolarHBondContact O-N 3.43Å; R596-L599 PolarHBondContact O-N 3.35Å; A597-L599 PolarHBondContact O-N 2.96Å; L599-E602 PolarHBondContact O-N 3.21Å; L599-T603 WeakPolarHBondContact O-CG2 3.41Å; L599-T603 PolarHBondContact O-N 3.17Å; L599-T603 VanDerWaalsContact O-N 3.08Å
600	T	92.9	Very high	91.1	Very high	47 Å²	47	54 Å²	54	29%	0.288	24%	0.243	S	C	.	.	H	α-helix	trans	-65.1	-44.5	178.6	-53.6	0	0	0	0	110.9	R596 A597 Q598 T603 L604 I631	R596-T600 VanDerWaalsContact O-CB 3.31Å; R596-T600 WeakPolarHBondContact O-CB 3.34Å; R596-T600 PolarHBondContact O-N 3.23Å; R596-T600 PolarHBondContact O-OG1 3.46Å; A597-T600 PolarHBondContact O-N 3.41Å; Q598-T600 VanDerWaalsContact C-N 3.28Å; Q598-T600 PolarHBondContact O-N 3.4Å; T600-T603 PolarHBondContact O-N 3.23Å; T600-T603 PolarHBondContact O-OG1 3.32Å; T600-L604 PolarHBondContact O-N 3.47Å; T600-I631 HydrophobicContact CG2-CD1 3.72Å; T600-I631 HydrophobicContact CG2-CG1 4.22Å
601	I	95.3	Very high	90.7	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.4	-45.5	174.9	-68.6	161.3	0	0	0	110.1	A597 Q598 T603 L604 Y628 I631 I632 G670 S673 F674 V677	A597-I601 WeakPolarHBondContact O-CB 3.36Å; A597-I601 WeakPolarHBondContact O-CD1 3.37Å; A597-I601 VanDerWaalsContact O-CG1 3.27Å; A597-I601 WeakPolarHBondContact O-CG1 3.17Å; A597-I601 PolarHBondContact O-N 3.14Å; Q598-I601 PolarHBondContact O-N 2.89Å; I601-T603 PolarHBondContact O-N 3.23Å; I601-T603 VanDerWaalsContact O-N 3.15Å; I601-L604 HydrophobicContact CG2-CD1 4.38Å; I601-L604 WeakPolarHBondContact O-CB 3.46Å; I601-L604 WeakPolarHBondContact O-CG 3.34Å; I601-L604 PolarHBondContact O-N 2.92Å; I601-Y628 HydrophobicContact CD1-CD2 3.75Å; I601-Y628 HydrophobicContact CD1-CE2 4Å; I601-Y628 HydrophobicContact CG1-CD2 4.18Å; I601-Y628 HydrophobicContact CG2-CD2 4.33Å; I601-I631 HydrophobicContact CD1-CG2 4.11Å; I601-I631 HydrophobicContact CG1-CB 4.32Å; I601-I631 HydrophobicContact CG1-CD1 4.03Å; I601-I631 HydrophobicContact CG1-CG2 3.93Å; I601-I632 HydrophobicContact CD1-CD1 3.52Å; I601-I632 HydrophobicContact CD1-CG1 3.94Å; I601-G670 WeakPolarHBondContact CD1-O 3.41Å; I601-S673 WeakPolarHBondContact CB-OG 3.46Å; I601-S673 WeakPolarHBondContact CD1-OG 3.3Å; I601-S673 WeakPolarHBondContact CG2-OG 3.37Å; I601-F674 HydrophobicContact CG2-CB 4.36Å; I601-V677 HydrophobicContact CG2-CG2 3.96Å; I601-V677 WeakPolarHBondContact O-CG2 3.27Å
602	E	92.2	Very high	90.3	Very high	36 Å²	36	53.1 Å²	53.1	17%	0.168	25%	0.249	C	C	.	.	H	α-helix	trans	-60	-27	177.2	-74.3	-169.3	-145.6	0	0	113.7	Q598 L599 L604 Q605 R680	Q598-E602 WeakPolarHBondContact CG-OE1 3.16Å; Q598-E602 PolarHBondContact NE2-OE1 3.4Å; Q598-E602 WeakPolarHBondContact O-CG 3.28Å; Q598-E602 PolarHBondContact O-N 2.86Å; L599-E602 PolarHBondContact O-N 3.21Å; E602-L604 VanDerWaalsContact C-N 3.32Å; E602-Q605 WeakPolarHBondContact O-CG 3.29Å; E602-Q605 PolarHBondContact O-NE2 2.87Å; E602-R680 IonicContact OE2-CZ 3.71Å; E602-R680 IonicContact OE2-NH1 2.67Å; E602-R680 PolarHBondContact OE2-NH1 3.26Å; E602-R680 IonicContact OE2-NH2 3.84Å; E602-R680 PolarHBondContact OE2-NH2 3.33Å
603	T	91.3	Very high	89.9	Confident	57 Å²	57	56.4 Å²	56.4	35%	0.35	27%	0.266	S	S	.	.	H	α-helix	trans	-76.7	-16.1	173.6	73.5	0	0	0	0	114	L599 T600 I601 Q605 I606	L599-T603 WeakPolarHBondContact O-CG2 3.41Å; L599-T603 PolarHBondContact O-N 3.17Å; L599-T603 VanDerWaalsContact O-N 3.08Å; T600-T603 PolarHBondContact O-N 3.23Å; T600-T603 PolarHBondContact O-OG1 3.32Å; I601-T603 PolarHBondContact O-N 3.23Å; I601-T603 VanDerWaalsContact O-N 3.15Å; T603-Q605 PolarHBondContact O-N 3.41Å; T603-I606 PolarHBondContact O-N 3.13Å; T603-I606 VanDerWaalsContact O-N 3.09Å
604	L	92.4	Very high	89	Confident	6 Å²	6	61.3 Å²	61.3	3%	0.031	29%	0.292	C	S	.	.	H	α-helix	trans	-61.5	-30.5	-177.8	-68.6	-179.8	0	0	0	112.7	T600 I601 E602 I606 K607 E608 L624 L627 I631	T600-L604 PolarHBondContact O-N 3.47Å; I601-L604 HydrophobicContact CG2-CD1 4.38Å; I601-L604 WeakPolarHBondContact O-CB 3.46Å; I601-L604 WeakPolarHBondContact O-CG 3.34Å; I601-L604 PolarHBondContact O-N 2.92Å; E602-L604 VanDerWaalsContact C-N 3.32Å; L604-I606 PolarHBondContact O-N 3.31Å; L604-I606 VanDerWaalsContact O-N 3.13Å; L604-K607 CarbonylContact O-C 3.4Å; L604-K607 PolarHBondContact O-N 3.47Å; L604-E608 PolarHBondContact O-N 3.42Å; L604-L624 HydrophobicContact CB-CD2 3.86Å; L604-L627 HydrophobicContact CD1-CB 4.22Å; L604-L627 HydrophobicContact CD2-CB 4.13Å; L604-L627 HydrophobicContact CD2-CD1 4.06Å; L604-I631 HydrophobicContact CD1-CD1 4.03Å; L604-I631 HydrophobicContact CD2-CD1 4.24Å; L604-I631 HydrophobicContact CG-CD1 4.35Å
605	Q	89	Confident	87.9	Confident	32 Å²	32	63.8 Å²	63.8	15%	0.15	31%	0.307	C	S	.	.	H	α-helix	trans	-53.7	-34.5	175.6	71.9	-174.3	-47.1	0	0	112.5	E602 T603 V677 R680 L681	E602-Q605 WeakPolarHBondContact O-CG 3.29Å; E602-Q605 PolarHBondContact O-NE2 2.87Å; T603-Q605 PolarHBondContact O-N 3.41Å; Q605-V677 HydrophobicContact CB-CG1 4.14Å; Q605-R680 VanDerWaalsContact OE1-CB 3.29Å; Q605-R680 VanDerWaalsContact OE1-CD 3.31Å; Q605-L681 HydrophobicContact CB-CD2 4.13Å; Q605-L681 HydrophobicContact CB-CG 4.24Å
606	I	87.6	Confident	86.8	Confident	139 Å²	139	69.4 Å²	69.4	71%	0.713	34%	0.337	S	S	*	.	H	α-helix	trans	-79.9	-25.5	-177.8	-53.3	173.8	0	0	0	110.5	T603 L604	T603-I606 PolarHBondContact O-N 3.13Å; T603-I606 VanDerWaalsContact O-N 3.09Å; L604-I606 PolarHBondContact O-N 3.31Å; L604-I606 VanDerWaalsContact O-N 3.13Å
607	K	84	Confident	85.7	Confident	135 Å²	135	70.2 Å²	70.2	59%	0.587	35%	0.348	S	S	*	.	H	α-helix	trans	-91.6	-1.5	-177.9	-65.2	178.3	-179.6	170	0	113	L604 R609	L604-K607 CarbonylContact O-C 3.4Å; L604-K607 PolarHBondContact O-N 3.47Å; K607-R609 PolarHBondContact O-N 3.43Å
608	E	88.2	Confident	84.7	Confident	25 Å²	25	71.5 Å²	71.5	12%	0.117	36%	0.355	C	S	.	.			trans	-63	129	179.4	-178.7	55.5	-79.4	0	0	110.7	L604 W610 T622 L624 L681	L604-E608 PolarHBondContact O-N 3.42Å; E608-W610 HydrophobicContact CG-CD2 4.08Å; E608-W610 HydrophobicContact CG-CG 4.19Å; E608-W610 HydrophobicContact CG-CZ2 4.27Å; E608-W610 PolarHBondContact OE1-N 3.48Å; E608-T622 VanDerWaalsContact OE2-CB 3.32Å; E608-T622 WeakPolarHBondContact OE2-CB 3.36Å; E608-T622 PolarHBondContact OE2-OG1 2.9Å; E608-L624 HydrophobicContact CB-CD1 4.21Å; E608-L624 HydrophobicContact CG-CD1 4.21Å; E608-L624 WeakPolarHBondContact OE2-CD1 3.47Å; E608-L624 WeakPolarHBondContact OE2-CG 3.4Å; E608-L681 HydrophobicContact CB-CD2 4.48Å
609	R	86	Confident	83.9	Confident	224 Å²	224	69.2 Å²	69.2	85%	0.845	34%	0.344	S	S	*	.			trans	-111.2	-7.8	-178.7	-64.6	-170.4	178.6	-157.1	-0.4	113	K607 D611	K607-R609 PolarHBondContact O-N 3.43Å; R609-D611 PolarHBondContact O-N 3.48Å
610	W	86.1	Confident	83.5	Confident	98 Å²	98	66.3 Å²	66.3	37%	0.371	33%	0.329	S	S	.	.			trans	57.9	30.9	-176.4	-58.3	93	0	0	0	113.2	E608 T622 L681 I685 L730 V731	E608-W610 HydrophobicContact CG-CD2 4.08Å; E608-W610 HydrophobicContact CG-CG 4.19Å; E608-W610 HydrophobicContact CG-CZ2 4.27Å; E608-W610 PolarHBondContact OE1-N 3.48Å; W610-T622 HydrophobicContact CE3-CG2 4.48Å; W610-L681 HydrophobicContact CZ2-CD2 4.46Å; W610-I685 HydrophobicContact CH2-CD1 3.66Å; W610-I685 HydrophobicContact CH2-CG1 4.44Å; W610-I685 HydrophobicContact CZ2-CD1 4.16Å; W610-I685 HydrophobicContact CZ2-CG1 4.49Å; W610-L730 HydrophobicContact CE3-CD1 4.05Å; W610-L730 HydrophobicContact CZ3-CB 4.24Å; W610-L730 HydrophobicContact CZ3-CD1 4.33Å; W610-V731 HydrophobicContact CH2-CG2 3.79Å; W610-V731 HydrophobicContact CZ3-CG2 4.19Å
611	D	84.2	Confident	83.2	Confident	74 Å²	74	64.6 Å²	64.6	40%	0.396	32%	0.318	S	S	.	.			trans	-78.6	121.4	170.5	-167.4	18.7	0	0	0	108.2	R609 T622 K623	R609-D611 PolarHBondContact O-N 3.48Å; D611-T622 WeakPolarHBondContact O-CA 2.91Å; D611-K623 WeakPolarHBondContact OD2-CE 3.3Å; D611-K623 IonicContact OD2-NZ 2.87Å; D611-K623 PolarHBondContact OD2-NZ 3.47Å
612	V	83.5	Confident	83	Confident	38 Å²	38	64.6 Å²	64.6	23%	0.23	32%	0.318	C	S	.	.			trans	-110.1	118.5	-169	-177.4	0	0	0	0	110.2	L614 I621 L730	V612-L614 HydrophobicContact CG1-CD2 4.03Å; V612-L614 HydrophobicContact CG1-CG 4.19Å; V612-I621 WeakPolarHBondContact CA-O 3.34Å; V612-L730 HydrophobicContact CG1-CD2 3.79Å; V612-L730 HydrophobicContact CG2-CD1 3.65Å; V612-L730 HydrophobicContact CG2-CD2 3.85Å; V612-L730 HydrophobicContact CG2-CG 4.44Å
613	D	80.9	Confident	82.9	Confident	71 Å²	71	67.6 Å²	67.6	38%	0.38	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	109.1	170.4	-68.4	-39.5	0	0	0	108.6	G620 I621	D613-G620 WeakPolarHBondContact O-CA 3.39Å; D613-I621 HydrophobicContact CB-CG1 4.34Å; D613-I621 PolarHBondContact N-O 3.37Å; D613-I621 PolarHBondContact O-N 3.29Å; D613-I621 VanDerWaalsContact O-N 3.07Å
614	L	76.4	Confident	83	Confident	104 Å²	104	65 Å²	65	55%	0.545	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	126.8	178.2	-68.1	169.3	0	0	0	110.1	V612 L840 L841	V612-L614 HydrophobicContact CG1-CD2 4.03Å; V612-L614 HydrophobicContact CG1-CG 4.19Å; L614-L840 HydrophobicContact CD2-CD2 4.07Å; L614-L841 HydrophobicContact CD2-CD2 4.13Å
615	T	71.4	Confident	83.1	Confident	55 Å²	55	64.8 Å²	64.8	34%	0.337	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	145.2	172	64.6	0	0	0	0	110	T617 D618 G619	T615-T617 PolarHBondContact O-N 2.71Å; T615-D618 WeakPolarHBondContact OG1-CA 3.42Å; T615-D618 WeakPolarHBondContact OG1-CB 3.38Å; T615-D618 PolarHBondContact OG1-N 3.22Å; T615-G619 PolarHBondContact N-O 2.95Å; T615-G619 PolarHBondContact O-N 3.31Å; T615-G619 PolarHBondContact OG1-N 3.05Å; T615-G619 PolarHBondContact OG1-O 3.46Å
616	D	67.1	Low	83.3	Confident	154 Å²	154	66.4 Å²	66.4	82%	0.824	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-28.2	-178.7	-67	-26.3	0	0	0	112.7
617	T	70.3	Confident	83.6	Confident	69 Å²	69	63.2 Å²	63.2	42%	0.423	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-41.5	-171.5	49.5	0	0	0	0	114.7	T615 L844	T615-T617 PolarHBondContact O-N 2.71Å; T617-L844 PolarHBondContact O-N 3.45Å
618	D	72.5	Confident	84.2	Confident	29 Å²	29	56.8 Å²	56.8	16%	0.155	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	9.5	-168.6	-59.4	-74.5	0	0	0	112.4	T615 N733 H741 K845	T615-D618 WeakPolarHBondContact OG1-CA 3.42Å; T615-D618 WeakPolarHBondContact OG1-CB 3.38Å; T615-D618 PolarHBondContact OG1-N 3.22Å; D618-N733 PolarHBondContact O-ND2 2.96Å; D618-H741 IonicContact OD1-CE1 3.2Å; D618-H741 PolarHBondContact OD1-CE1 2.87Å; D618-H741 IonicContact OD1-NE2 3.15Å; D618-K845 VanDerWaalsContact CG-NZ 3.28Å; D618-K845 WeakPolarHBondContact OD1-CD 3.41Å; D618-K845 WeakPolarHBondContact OD1-CE 3.36Å; D618-K845 IonicContact OD1-NZ 3.71Å; D618-K845 PolarHBondContact OD1-NZ 3.41Å; D618-K845 IonicContact OD2-NZ 2.76Å; D618-K845 PolarHBondContact OD2-NZ 3.43Å
619	G	78.4	Confident	84.5	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	74.9	-149	176.9	0	0	0	0	0	112.7	T615 L841	T615-G619 PolarHBondContact N-O 2.95Å; T615-G619 PolarHBondContact O-N 3.31Å; T615-G619 PolarHBondContact OG1-N 3.05Å; T615-G619 PolarHBondContact OG1-O 3.46Å; G619-L841 WeakPolarHBondContact CA-O 3.42Å
620	G	83.1	Confident	85.1	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	126.1	-177.1	0	0	0	0	0	112.2	D613 N733 L841	D613-G620 WeakPolarHBondContact O-CA 3.39Å; G620-N733 PolarHBondContact N-ND2 3.03Å; G620-N733 PolarHBondContact O-ND2 2.95Å; G620-L841 PolarHBondContact N-O 2.83Å
621	I	88	Confident	85.6	Confident	10 Å²	10	47 Å²	47	5%	0.051	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	152.8	172	61.7	170.6	0	0	0	110.6	V612 D613 N734 W737	V612-I621 WeakPolarHBondContact CA-O 3.34Å; D613-I621 HydrophobicContact CB-CG1 4.34Å; D613-I621 PolarHBondContact N-O 3.37Å; D613-I621 PolarHBondContact O-N 3.29Å; D613-I621 VanDerWaalsContact O-N 3.07Å; I621-N734 VanDerWaalsContact CA-OD1 3.3Å; I621-N734 WeakPolarHBondContact CA-OD1 3.35Å; I621-W737 HydrophobicContact CD1-CD2 4.19Å; I621-W737 HydrophobicContact CD1-CZ2 4.18Å; I621-W737 HydrophobicContact CG2-CB 3.73Å; I621-W737 HydrophobicContact CG2-CD2 4.32Å; I621-W737 HydrophobicContact CG2-CG 3.64Å
622	T	91.2	Very high	86.2	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.231	C	C	.	.			trans	-86.3	-176.1	165.3	76.6	0	0	0	0	110.3	E608 W610 D611 L624 P625 N734	E608-T622 VanDerWaalsContact OE2-CB 3.32Å; E608-T622 WeakPolarHBondContact OE2-CB 3.36Å; E608-T622 PolarHBondContact OE2-OG1 2.9Å; W610-T622 HydrophobicContact CE3-CG2 4.48Å; D611-T622 WeakPolarHBondContact O-CA 2.91Å; T622-L624 VanDerWaalsContact C-N 3.28Å; T622-L624 PolarHBondContact O-N 2.94Å; T622-L624 PolarHBondContact OG1-N 3.41Å; T622-P625 VanDerWaalsContact O-CD 3.31Å; T622-P625 WeakPolarHBondContact O-CD 3.39Å; T622-N734 PolarHBondContact N-OD1 2.67Å; T622-N734 PolarHBondContact OG1-ND2 2.91Å
623	K	90.2	Very high	86.8	Confident	100 Å²	100	42.6 Å²	42.6	44%	0.435	23%	0.228	S	C	.	.	S	Bend	trans	-77.7	-11.6	176.8	-63.7	-174.4	-179.3	169.8	0	113.8	D611 L626 L627	D611-K623 WeakPolarHBondContact OD2-CE 3.3Å; D611-K623 IonicContact OD2-NZ 2.87Å; D611-K623 PolarHBondContact OD2-NZ 3.47Å; K623-L626 PolarHBondContact O-N 2.97Å; K623-L627 WeakPolarHBondContact O-CG 3.32Å; K623-L627 PolarHBondContact O-N 2.92Å; K623-L627 VanDerWaalsContact O-N 3.15Å
624	L	93.2	Very high	87.5	Confident	3 Å²	3	44.3 Å²	44.3	2%	0.016	24%	0.237	C	C	.	.	H	α-helix	trans	-62.5	-43.4	-175.6	-64	-173.7	0	0	0	114.5	L604 E608 T622 L626 L627 Y628 F674 L681	L604-L624 HydrophobicContact CB-CD2 3.86Å; E608-L624 HydrophobicContact CB-CD1 4.21Å; E608-L624 HydrophobicContact CG-CD1 4.21Å; E608-L624 WeakPolarHBondContact OE2-CD1 3.47Å; E608-L624 WeakPolarHBondContact OE2-CG 3.4Å; T622-L624 VanDerWaalsContact C-N 3.28Å; T622-L624 PolarHBondContact O-N 2.94Å; T622-L624 PolarHBondContact OG1-N 3.41Å; L624-L626 VanDerWaalsContact C-N 3.27Å; L624-L626 PolarHBondContact O-N 3.24Å; L624-L627 HydrophobicContact CD2-CD1 4.4Å; L624-L627 PolarHBondContact O-N 2.9Å; L624-Y628 VanDerWaalsContact O-CB 3.31Å; L624-Y628 WeakPolarHBondContact O-CB 3.32Å; L624-Y628 PolarHBondContact O-N 2.76Å; L624-F674 HydrophobicContact CB-CE2 4.06Å; L624-F674 HydrophobicContact CB-CZ 4.44Å; L624-L681 HydrophobicContact CD1-CD1 3.67Å
625	P	93.5	Very high	88.4	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-53.9	-41	174.8	-31.5	39.3	0	0	0	114.4	T622 Y628 E629 F674 N734 W737 V738	T622-P625 VanDerWaalsContact O-CD 3.31Å; T622-P625 WeakPolarHBondContact O-CD 3.39Å; P625-Y628 WeakPolarHBondContact O-CB 3.33Å; P625-E629 WeakPolarHBondContact O-CB 3.38Å; P625-E629 PolarHBondContact O-N 3.14Å; P625-F674 HydrophobicContact CG-CZ 4.2Å; P625-N734 HydrophobicContact CG-CB 3.8Å; P625-W737 HydrophobicContact CB-CD2 4.46Å; P625-W737 HydrophobicContact CB-CE3 3.49Å; P625-W737 VanDerWaalsContact CB-CE3 3.49Å; P625-W737 HydrophobicContact CB-CZ3 3.63Å; P625-W737 HydrophobicContact CG-CE3 4.37Å; P625-V738 HydrophobicContact CB-CG2 3.55Å; P625-V738 HydrophobicContact CG-CG2 4.02Å
626	L	92.9	Very high	89.6	Confident	66 Å²	66	37 Å²	37	35%	0.346	20%	0.196	S	C	.	.	H	α-helix	trans	-70.8	-45.5	179.7	-62.6	175.2	0	0	0	111.1	K623 L624 Y628 E629 D630 W737	K623-L626 PolarHBondContact O-N 2.97Å; L624-L626 VanDerWaalsContact C-N 3.27Å; L624-L626 PolarHBondContact O-N 3.24Å; L626-Y628 VanDerWaalsContact C-N 3.28Å; L626-Y628 PolarHBondContact O-N 3.39Å; L626-E629 WeakPolarHBondContact O-CB 3.44Å; L626-E629 PolarHBondContact O-N 2.81Å; L626-E629 VanDerWaalsContact O-N 3.14Å; L626-D630 PolarHBondContact O-N 3.45Å; L626-W737 HydrophobicContact CD2-CH2 3.69Å; L626-W737 HydrophobicContact CD2-CZ2 4.45Å; L626-W737 HydrophobicContact CD2-CZ3 4.31Å
627	L	94.3	Very high	90.9	Very high	73 Å²	73	33.8 Å²	33.8	38%	0.382	18%	0.179	S	C	.	.	H	α-helix	trans	-61.6	-38.7	176.2	-67.1	174.7	0	0	0	112.1	L604 K623 L624 I631	L604-L627 HydrophobicContact CD1-CB 4.22Å; L604-L627 HydrophobicContact CD2-CB 4.13Å; L604-L627 HydrophobicContact CD2-CD1 4.06Å; K623-L627 WeakPolarHBondContact O-CG 3.32Å; K623-L627 PolarHBondContact O-N 2.92Å; K623-L627 VanDerWaalsContact O-N 3.15Å; L624-L627 HydrophobicContact CD2-CD1 4.4Å; L624-L627 PolarHBondContact O-N 2.9Å; L627-I631 VanDerWaalsContact O-CD1 3.29Å; L627-I631 WeakPolarHBondContact O-CD1 3.31Å; L627-I631 WeakPolarHBondContact O-CG1 3.46Å; L627-I631 PolarHBondContact O-N 3.03Å; L627-I631 VanDerWaalsContact O-N 3.08Å
628	Y	96.1	Very high	91.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.2	-48.6	172.9	160.8	-98.4	0	0	0	111.6	I601 L624 P625 L626 I631 I632 M671 F674 V738 A742 N743 L746	I601-Y628 HydrophobicContact CD1-CD2 3.75Å; I601-Y628 HydrophobicContact CD1-CE2 4Å; I601-Y628 HydrophobicContact CG1-CD2 4.18Å; I601-Y628 HydrophobicContact CG2-CD2 4.33Å; L624-Y628 VanDerWaalsContact O-CB 3.31Å; L624-Y628 WeakPolarHBondContact O-CB 3.32Å; L624-Y628 PolarHBondContact O-N 2.76Å; P625-Y628 WeakPolarHBondContact O-CB 3.33Å; L626-Y628 VanDerWaalsContact C-N 3.28Å; L626-Y628 PolarHBondContact O-N 3.39Å; Y628-I631 PolarHBondContact O-N 3.37Å; Y628-I632 HydrophobicContact CD2-CG1 4.1Å; Y628-I632 HydrophobicContact CE2-CD1 4.28Å; Y628-I632 HydrophobicContact CE2-CG1 3.65Å; Y628-I632 PolarHBondContact O-N 2.98Å; Y628-M671 WeakPolarHBondContact CE2-O 3.35Å; Y628-M671 WeakPolarHBondContact OH-CA 3.44Å; Y628-M671 VanDerWaalsContact OH-CB 3.26Å; Y628-M671 WeakPolarHBondContact OH-CB 3.3Å; Y628-M671 WeakPolarHBondContact OH-CE 3.29Å; Y628-M671 WeakPolarHBondContact OH-CG 3.02Å; Y628-M671 PolarHBondContact OH-O 3.1Å; Y628-F674 HydrophobicContact CD1-CD2 4.47Å; Y628-F674 HydrophobicContact CD2-CB 3.62Å; Y628-F674 AromaticContact CD2-CD2 3.74Å; Y628-F674 HydrophobicContact CD2-CD2 3.74Å; Y628-F674 AromaticContact CD2-CG 3.93Å; Y628-F674 HydrophobicContact CD2-CG 3.93Å; Y628-F674 HydrophobicContact CE2-CB 3.65Å; Y628-F674 HydrophobicContact CE2-CG 4.31Å; Y628-F674 HydrophobicContact CG-CB 4.26Å; Y628-F674 AromaticContact CG-CD2 3.66Å; Y628-F674 HydrophobicContact CG-CD2 3.66Å; Y628-F674 HydrophobicContact CG-CE2 4.25Å; Y628-F674 HydrophobicContact CG-CG 4.06Å; Y628-V738 HydrophobicContact CD1-CG1 3.89Å; Y628-V738 HydrophobicContact CD1-CG2 4.19Å; Y628-V738 HydrophobicContact CE1-CG1 3.51Å; Y628-A742 HydrophobicContact CD1-CB 4.31Å; Y628-A742 HydrophobicContact CE1-CB 4.28Å; Y628-N743 PolarHBondContact OH-OD1 2.88Å; Y628-N743 VanDerWaalsContact OH-OD1 3.1Å; Y628-L746 HydrophobicContact CD1-CD1 4.48Å; Y628-L746 HydrophobicContact CE1-CD1 3.67Å
629	E	96	Very high	92.8	Very high	23 Å²	23	31.8 Å²	31.8	11%	0.107	17%	0.165	C	C	.	.	H	α-helix	trans	-61.1	-46.3	-179.7	-176	172	-174.5	0	0	111.6	P625 L626 I631 I632 A633 A742 R745 L746	P625-E629 WeakPolarHBondContact O-CB 3.38Å; P625-E629 PolarHBondContact O-N 3.14Å; L626-E629 WeakPolarHBondContact O-CB 3.44Å; L626-E629 PolarHBondContact O-N 2.81Å; L626-E629 VanDerWaalsContact O-N 3.14Å; E629-I631 VanDerWaalsContact C-N 3.35Å; E629-I631 PolarHBondContact O-N 3.4Å; E629-I632 PolarHBondContact O-N 2.83Å; E629-A633 WeakPolarHBondContact O-CB 3.43Å; E629-A633 PolarHBondContact O-N 3.38Å; E629-A742 HydrophobicContact CB-CB 4.07Å; E629-A742 HydrophobicContact CG-CB 4.23Å; E629-R745 VanDerWaalsContact CD-NH2 3.3Å; E629-R745 IonicContact OE1-CZ 3.97Å; E629-R745 IonicContact OE1-NE 4Å; E629-R745 PolarHBondContact OE1-NE 3.37Å; E629-R745 IonicContact OE1-NH2 2.8Å; E629-R745 PolarHBondContact OE1-NH2 3.48Å; E629-R745 IonicContact OE2-CZ 3.63Å; E629-R745 IonicContact OE2-NE 3.94Å; E629-R745 IonicContact OE2-NH2 3.66Å; E629-R745 PolarHBondContact OE2-NH2 3.47Å; E629-L746 HydrophobicContact CG-CD2 4.14Å; E629-L746 HydrophobicContact CG-CG 4.24Å
630	D	97.1	Very high	93.4	Very high	90 Å²	90	35.4 Å²	35.4	48%	0.481	18%	0.182	S	C	.	.	H	α-helix	trans	-58.3	-46.4	177.2	-67.3	-22.4	0	0	0	111	L626 I632 A633 D634	L626-D630 PolarHBondContact O-N 3.45Å; D630-I632 PolarHBondContact O-N 3.23Å; D630-A633 PolarHBondContact O-N 3.41Å; D630-D634 WeakPolarHBondContact O-CB 3.47Å; D630-D634 VanDerWaalsContact O-CG 3.29Å; D630-D634 PolarHBondContact O-N 3.37Å
631	I	96.3	Very high	93.6	Very high	28 Å²	28	37.3 Å²	37.3	14%	0.144	19%	0.192	C	C	.	.	H	α-helix	trans	-62.2	-45	-179.6	-68.2	161.1	0	0	0	111.9	A597 T600 I601 L604 L627 Y628 E629 S635	A597-I631 HydrophobicContact CB-CG2 4.04Å; T600-I631 HydrophobicContact CG2-CD1 3.72Å; T600-I631 HydrophobicContact CG2-CG1 4.22Å; I601-I631 HydrophobicContact CD1-CG2 4.11Å; I601-I631 HydrophobicContact CG1-CB 4.32Å; I601-I631 HydrophobicContact CG1-CD1 4.03Å; I601-I631 HydrophobicContact CG1-CG2 3.93Å; L604-I631 HydrophobicContact CD1-CD1 4.03Å; L604-I631 HydrophobicContact CD2-CD1 4.24Å; L604-I631 HydrophobicContact CG-CD1 4.35Å; L627-I631 VanDerWaalsContact O-CD1 3.29Å; L627-I631 WeakPolarHBondContact O-CD1 3.31Å; L627-I631 WeakPolarHBondContact O-CG1 3.46Å; L627-I631 PolarHBondContact O-N 3.03Å; L627-I631 VanDerWaalsContact O-N 3.08Å; Y628-I631 PolarHBondContact O-N 3.37Å; E629-I631 VanDerWaalsContact C-N 3.35Å; E629-I631 PolarHBondContact O-N 3.4Å; I631-S635 WeakPolarHBondContact O-CB 3.22Å; I631-S635 PolarHBondContact O-N 2.85Å; I631-S635 VanDerWaalsContact O-N 3.08Å; I631-S635 PolarHBondContact O-OG 2.99Å
632	I	97.4	Very high	93.7	Very high	1 Å²	1	37 Å²	37	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-71.6	-40.1	-179.8	-61.9	-64.4	0	0	0	110.8	A597 I601 Y628 E629 D630 S635 F636 M671 L746	A597-I632 HydrophobicContact CB-CD1 4.38Å; I601-I632 HydrophobicContact CD1-CD1 3.52Å; I601-I632 HydrophobicContact CD1-CG1 3.94Å; Y628-I632 HydrophobicContact CD2-CG1 4.1Å; Y628-I632 HydrophobicContact CE2-CD1 4.28Å; Y628-I632 HydrophobicContact CE2-CG1 3.65Å; Y628-I632 PolarHBondContact O-N 2.98Å; E629-I632 PolarHBondContact O-N 2.83Å; D630-I632 PolarHBondContact O-N 3.23Å; I632-S635 WeakPolarHBondContact O-CB 3.34Å; I632-S635 PolarHBondContact O-N 2.95Å; I632-F636 HydrophobicContact CG2-CD2 4Å; I632-F636 HydrophobicContact CG2-CE1 4.13Å; I632-F636 HydrophobicContact CG2-CE2 3.53Å; I632-F636 HydrophobicContact CG2-CG 4.49Å; I632-F636 HydrophobicContact CG2-CZ 3.58Å; I632-F636 WeakPolarHBondContact O-CG 3.25Å; I632-F636 PolarHBondContact O-N 3.45Å; I632-M671 HydrophobicContact CD1-CG 4.08Å; I632-M671 HydrophobicContact CG1-CG 4.23Å; I632-M671 HydrophobicContact CG2-CG 3.99Å; I632-M671 HydrophobicContact CG2-SD 4.43Å; I632-L746 HydrophobicContact CB-CD1 3.84Å; I632-L746 HydrophobicContact CB-CD2 3.96Å; I632-L746 HydrophobicContact CG1-CD1 4.36Å; I632-L746 HydrophobicContact CG2-CD1 3.84Å; I632-L746 HydrophobicContact CG2-CD2 3.86Å; I632-L746 HydrophobicContact CG2-CG 4.31Å
633	A	96.6	Very high	93.4	Very high	19 Å²	19	37.1 Å²	37.1	16%	0.157	19%	0.191	C	C	.	.	H	α-helix	trans	-60.6	-47.9	176.8	0	0	0	0	0	111.4	E629 D630 S635 F636 I637 L746 L749	E629-A633 WeakPolarHBondContact O-CB 3.43Å; E629-A633 PolarHBondContact O-N 3.38Å; D630-A633 PolarHBondContact O-N 3.41Å; A633-S635 VanDerWaalsContact C-N 3.26Å; A633-S635 PolarHBondContact O-N 3.39Å; A633-F636 PolarHBondContact O-N 3.47Å; A633-I637 WeakPolarHBondContact O-CG1 3.18Å; A633-I637 PolarHBondContact O-N 3.12Å; A633-L746 HydrophobicContact CB-CD2 3.98Å; A633-L749 HydrophobicContact CB-CD2 3.79Å
634	D	95.8	Very high	93.2	Very high	107 Å²	107	36 Å²	36	57%	0.572	19%	0.186	S	C	*	.	H	α-helix	trans	-59.4	-38.9	175.5	-76.8	-13.4	0	0	0	111.6	D630 I637 L638	D630-D634 WeakPolarHBondContact O-CB 3.47Å; D630-D634 VanDerWaalsContact O-CG 3.29Å; D630-D634 PolarHBondContact O-N 3.37Å; D634-I637 PolarHBondContact O-N 3.38Å; D634-L638 VanDerWaalsContact O-CB 3.3Å; D634-L638 WeakPolarHBondContact O-CB 3.27Å; D634-L638 PolarHBondContact O-N 3.32Å
635	S	95.1	Very high	92.7	Very high	4 Å²	4	38.3 Å²	38.3	3%	0.028	20%	0.202	C	C	.	.	H	α-helix	trans	-66.6	-40.2	177.5	-59.4	0	0	0	0	112.1	A597 I631 I632 A633 L638 C639	A597-S635 VanDerWaalsContact CB-OG 3.28Å; A597-S635 WeakPolarHBondContact CB-OG 3.37Å; I631-S635 WeakPolarHBondContact O-CB 3.22Å; I631-S635 PolarHBondContact O-N 2.85Å; I631-S635 VanDerWaalsContact O-N 3.08Å; I631-S635 PolarHBondContact O-OG 2.99Å; I632-S635 WeakPolarHBondContact O-CB 3.34Å; I632-S635 PolarHBondContact O-N 2.95Å; A633-S635 VanDerWaalsContact C-N 3.26Å; A633-S635 PolarHBondContact O-N 3.39Å; S635-L638 PolarHBondContact O-N 3.47Å; S635-C639 PolarHBondContact O-N 2.75Å; S635-C639 VanDerWaalsContact O-N 3.09Å; S635-C639 PolarHBondContact O-SG 2.95Å; S635-C639 VanDerWaalsContact O-SG 3.35Å
636	F	95.7	Very high	92.3	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-65.4	-41.9	174.3	-71.7	-23.1	0	0	0	112.5	F594 I632 A633 C639 M671 L746 L749 Y750 L753 Y755	F594-F636 AromaticContact CE1-CD1 3.71Å; F594-F636 HydrophobicContact CE1-CD1 3.71Å; F594-F636 AromaticContact CE1-CE1 3.56Å; F594-F636 HydrophobicContact CE1-CE1 3.56Å; F594-F636 AromaticContact CZ-CD1 3.86Å; F594-F636 HydrophobicContact CZ-CD1 3.86Å; F594-F636 AromaticContact CZ-CE1 3.83Å; F594-F636 HydrophobicContact CZ-CE1 3.83Å; I632-F636 HydrophobicContact CG2-CD2 4Å; I632-F636 HydrophobicContact CG2-CE1 4.13Å; I632-F636 HydrophobicContact CG2-CE2 3.53Å; I632-F636 HydrophobicContact CG2-CG 4.49Å; I632-F636 HydrophobicContact CG2-CZ 3.58Å; I632-F636 WeakPolarHBondContact O-CG 3.25Å; I632-F636 PolarHBondContact O-N 3.45Å; A633-F636 PolarHBondContact O-N 3.47Å; F636-C639 PolarHBondContact O-N 2.91Å; F636-M671 HydrophobicContact CZ-SD 4.13Å; F636-L746 HydrophobicContact CE2-CB 4.18Å; F636-L746 HydrophobicContact CE2-CD2 4.44Å; F636-L749 HydrophobicContact CB-CD2 4.44Å; F636-L749 HydrophobicContact CD2-CD2 4.28Å; F636-L749 HydrophobicContact CD2-CG 4.5Å; F636-Y750 HydrophobicContact CD1-CD2 4.2Å; F636-Y750 AromaticContact CE1-CD2 3.67Å; F636-Y750 HydrophobicContact CE1-CD2 3.67Å; F636-Y750 HydrophobicContact CE1-CE2 4.19Å; F636-Y750 HydrophobicContact CE2-CD2 4.08Å; F636-Y750 AromaticContact CZ-CD2 3.61Å; F636-Y750 HydrophobicContact CZ-CD2 3.61Å; F636-Y750 HydrophobicContact CZ-CE2 4.41Å; F636-Y750 HydrophobicContact CZ-CG 4.47Å; F636-L753 HydrophobicContact CB-CD1 3.83Å; F636-Y755 HydrophobicContact CB-CE2 4.24Å; F636-Y755 HydrophobicContact CD1-CE2 4.44Å; F636-Y755 PolarHBondContact O-OH 3.24Å
637	I	94	Very high	91.6	Very high	87 Å²	87	43.3 Å²	43.3	45%	0.446	22%	0.219	S	C	.	.	H	α-helix	trans	-65.3	-43.1	177.2	-65.8	164.3	0	0	0	110.2	A633 D634 C639 E640	A633-I637 WeakPolarHBondContact O-CG1 3.18Å; A633-I637 PolarHBondContact O-N 3.12Å; D634-I637 PolarHBondContact O-N 3.38Å; I637-C639 VanDerWaalsContact C-N 3.31Å; I637-C639 PolarHBondContact O-N 3.16Å; I637-E640 WeakPolarHBondContact O-CB 3.28Å; I637-E640 PolarHBondContact O-N 3.12Å; I637-E640 VanDerWaalsContact O-N 3.14Å
638	L	91.4	Very high	90.8	Very high	57 Å²	57	46 Å²	46	30%	0.298	25%	0.245	S	C	.	.	H	α-helix	trans	-65.5	-33.4	-179.8	-172.7	61.5	0	0	0	113.1	L552 I593 D634 S635 E640	L552-L638 HydrophobicContact CD1-CD1 4.25Å; L552-L638 HydrophobicContact CD1-CD2 3.98Å; L552-L638 HydrophobicContact CD1-CG 4.34Å; I593-L638 HydrophobicContact CD1-CB 4.41Å; I593-L638 HydrophobicContact CD1-CD2 4.09Å; I593-L638 HydrophobicContact CD1-CG 3.84Å; I593-L638 HydrophobicContact CG1-CD2 3.92Å; I593-L638 HydrophobicContact CG1-CG 4.25Å; I593-L638 HydrophobicContact CG2-CB 4.5Å; I593-L638 HydrophobicContact CG2-CD2 4.3Å; D634-L638 VanDerWaalsContact O-CB 3.3Å; D634-L638 WeakPolarHBondContact O-CB 3.27Å; D634-L638 PolarHBondContact O-N 3.32Å; S635-L638 PolarHBondContact O-N 3.47Å; L638-E640 PolarHBondContact O-N 2.82Å
639	C	92.6	Very high	90.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.6	-25.2	175.2	-79.9	0	0	0	0	113.2	S635 F636 I637 D641 Q642 V643 F663	S635-C639 PolarHBondContact O-N 2.75Å; S635-C639 VanDerWaalsContact O-N 3.09Å; S635-C639 PolarHBondContact O-SG 2.95Å; S635-C639 VanDerWaalsContact O-SG 3.35Å; F636-C639 PolarHBondContact O-N 2.91Å; I637-C639 VanDerWaalsContact C-N 3.31Å; I637-C639 PolarHBondContact O-N 3.16Å; C639-D641 VanDerWaalsContact C-N 3.25Å; C639-D641 PolarHBondContact O-N 2.83Å; C639-Q642 PolarHBondContact O-N 2.82Å; C639-V643 WeakPolarHBondContact O-CG2 3.45Å; C639-V643 PolarHBondContact O-N 3.21Å; C639-F663 HydrophobicContact CB-CE2 4.39Å; C639-F663 HydrophobicContact CB-CZ 4.3Å
640	E	90.9	Very high	89.7	Confident	75 Å²	75	46.3 Å²	46.3	35%	0.35	25%	0.246	S	C	.	.	H	α-helix	trans	-56.7	-43	-177	-171.3	-172.3	-176.8	0	0	110.9	I637 L638 Q642 V643 F644 Y755	I637-E640 WeakPolarHBondContact O-CB 3.28Å; I637-E640 PolarHBondContact O-N 3.12Å; I637-E640 VanDerWaalsContact O-N 3.14Å; L638-E640 PolarHBondContact O-N 2.82Å; E640-Q642 PolarHBondContact O-N 3.34Å; E640-V643 PolarHBondContact O-N 3.33Å; E640-F644 HydrophobicContact CG-CD2 3.79Å; E640-F644 HydrophobicContact CG-CE2 3.92Å; E640-F644 WeakPolarHBondContact O-CD2 3.37Å; E640-F644 PolarHBondContact O-N 3.08Å; E640-Y755 WeakPolarHBondContact CA-OH 3.48Å; E640-Y755 PolarHBondContact N-OH 3.38Å
641	D	87.7	Confident	89.1	Confident	41 Å²	41	47.1 Å²	47.1	22%	0.219	25%	0.245	C	C	.	.	H	α-helix	trans	-66.1	-21.2	-179.8	-169.9	62.3	0	0	0	113.8	R559 C639 R646	R559-D641 IonicContact CZ-OD2 4Å; R559-D641 PolarHBondContact NH1-O 3.29Å; R559-D641 IonicContact NH1-OD1 3.55Å; R559-D641 IonicContact NH1-OD2 3.47Å; R559-D641 PolarHBondContact NH1-OD2 3.06Å; R559-D641 PolarHBondContact NH2-O 3.15Å; C639-D641 VanDerWaalsContact C-N 3.25Å; C639-D641 PolarHBondContact O-N 2.83Å; D641-R646 IonicContact OD1-CZ 2.9Å; D641-R646 IonicContact OD1-NE 3.38Å; D641-R646 PolarHBondContact OD1-NE 3.18Å; D641-R646 IonicContact OD1-NH2 3.22Å; D641-R646 PolarHBondContact OD1-NH2 3.39Å
642	Q	88.8	Confident	88.6	Confident	4 Å²	4	48.2 Å²	48.2	2%	0.019	25%	0.254	C	S	.	.	H	α-helix	trans	-95.1	-33.3	-179.6	-52.3	-47.8	-46.7	0	0	112.3	L552 R586 A589 V590 I593 C639 E640 L653	L552-Q642 HydrophobicContact CD2-CG 4.09Å; R586-Q642 HydrophobicContact CB-CB 4.47Å; R586-Q642 WeakPolarHBondContact CD-O 3.22Å; R586-Q642 PolarHBondContact NH1-O 3.4Å; R586-Q642 VanDerWaalsContact NH1-O 3.12Å; A589-Q642 HydrophobicContact CB-CG 4.22Å; V590-Q642 HydrophobicContact CG2-CB 3.91Å; I593-Q642 HydrophobicContact CD1-CG 4.34Å; C639-Q642 PolarHBondContact O-N 2.82Å; E640-Q642 PolarHBondContact O-N 3.34Å; Q642-L653 WeakPolarHBondContact O-CD1 3.49Å
643	V	86.3	Confident	88	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.006	26%	0.255	C	S	.	.	H	α-helix	trans	-69.9	-46.1	-178	168.6	0	0	0	0	111.7	C639 E640 L653 F654 F663 Y755	C639-V643 WeakPolarHBondContact O-CG2 3.45Å; C639-V643 PolarHBondContact O-N 3.21Å; E640-V643 PolarHBondContact O-N 3.33Å; V643-L653 PolarHBondContact O-N 3.45Å; V643-F654 HydrophobicContact CB-CE2 4.47Å; V643-F654 HydrophobicContact CG1-CD2 3.7Å; V643-F654 HydrophobicContact CG1-CE2 3.21Å; V643-F654 HydrophobicContact CG1-CZ 3.69Å; V643-F654 HydrophobicContact CG2-CE2 4.46Å; V643-F654 HydrophobicContact CG2-CZ 4.11Å; V643-F663 HydrophobicContact CG2-CD2 4.49Å; V643-F663 HydrophobicContact CG2-CE2 3.71Å; V643-F663 HydrophobicContact CG2-CZ 4.29Å; V643-Y755 HydrophobicContact CB-CE1 4.34Å; V643-Y755 HydrophobicContact CG1-CE1 4.26Å; V643-Y755 HydrophobicContact CG2-CE1 4.07Å
644	F	86.1	Confident	87.5	Confident	76 Å²	76	48.4 Å²	48.4	33%	0.333	25%	0.252	S	S	.	.	S	Bend	trans	-92.2	140.4	-176	-61.3	-70.5	0	0	0	111.9	E640 R646 L753 Y755	E640-F644 HydrophobicContact CG-CD2 3.79Å; E640-F644 HydrophobicContact CG-CE2 3.92Å; E640-F644 WeakPolarHBondContact O-CD2 3.37Å; E640-F644 PolarHBondContact O-N 3.08Å; F644-R646 PolarHBondContact O-N 2.9Å; F644-L753 WeakPolarHBondContact CZ-O 3.47Å; F644-Y755 HydrophobicContact CE2-CE1 4.45Å
645	P	83	Confident	86.9	Confident	52 Å²	52	48.8 Å²	48.8	34%	0.338	25%	0.254	S	S	.	.			trans	-68.8	133.6	-178.3	29.3	-34.6	0	0	0	111.2	E650 P652	P645-E650 WeakPolarHBondContact CA-OE2 3.28Å; P645-E650 HydrophobicContact CB-CB 3.66Å; P645-E650 WeakPolarHBondContact CB-O 3.48Å; P645-P652 HydrophobicContact CG-CG 4.29Å
646	R	83.2	Confident	86.5	Confident	141 Å²	141	50.2 Å²	50.2	53%	0.532	26%	0.264	S	S	.	.			trans	-105.9	-16.7	175.4	-64.2	-61.6	-165.7	-161.1	-4.1	113.3	D641 F644 E650	D641-R646 IonicContact OD1-CZ 2.9Å; D641-R646 IonicContact OD1-NE 3.38Å; D641-R646 PolarHBondContact OD1-NE 3.18Å; D641-R646 IonicContact OD1-NH2 3.22Å; D641-R646 PolarHBondContact OD1-NH2 3.39Å; F644-R646 PolarHBondContact O-N 2.9Å; R646-E650 PolarHBondContact N-OE2 3.39Å
647	T	79.1	Confident	86	Confident	30 Å²	30	56.1 Å²	56.1	18%	0.184	30%	0.295	C	S	.	.	S	Bend	trans	-123.4	161.8	179.8	64.8	0	0	0	0	110.1	R559 I649 E650	R559-T647 HydrophobicContact CB-CG2 4.02Å; R559-T647 HydrophobicContact CG-CG2 4.01Å; T647-I649 PolarHBondContact O-N 3.46Å; T647-E650 PolarHBondContact O-N 2.87Å; T647-E650 WeakPolarHBondContact OG1-CG 3.47Å
648	S	78.6	Confident	85.6	Confident	131 Å²	131	55.9 Å²	55.9	92%	0.916	29%	0.292	S	S	*	.	S	Bend	trans	-67.1	-14.2	179.5	53.1	0	0	0	0	114.4
649	I	80.7	Confident	85.4	Confident	18 Å²	18	53.3 Å²	53.3	9%	0.092	28%	0.279	C	S	.	.	S	Bend	trans	-90.3	-31.6	-178.9	-51.9	159.4	0	0	0	110.6	C562 L567 F578 A579 T647 K651	C562-I649 HydrophobicContact CB-CD1 3.45Å; C562-I649 VanDerWaalsContact CB-CD1 3.45Å; L567-I649 HydrophobicContact CD1-CD1 3.1Å; L567-I649 HydrophobicContact CD1-CG1 3.79Å; F578-I649 HydrophobicContact CB-CG2 4.16Å; A579-I649 HydrophobicContact CB-CG2 3.82Å; A579-I649 WeakPolarHBondContact CB-O 3.33Å; T647-I649 PolarHBondContact O-N 3.46Å; I649-K651 PolarHBondContact O-N 3.46Å
650	E	86.3	Confident	85.2	Confident	11 Å²	11	57 Å²	57	5%	0.051	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-69.1	125.9	-176.6	-78.1	173.5	-171.1	0	0	110.5	R559 A582 P645 R646 T647	R559-E650 VanDerWaalsContact CG-OE1 3.28Å; R559-E650 WeakPolarHBondContact CG-OE1 3.36Å; R559-E650 IonicContact CZ-OE1 3.82Å; R559-E650 IonicContact CZ-OE2 3.99Å; R559-E650 IonicContact NE-OE1 3.61Å; R559-E650 PolarHBondContact NE-OE1 2.83Å; R559-E650 IonicContact NE-OE2 2.98Å; R559-E650 IonicContact NH2-OE1 3.92Å; R559-E650 IonicContact NH2-OE2 2.69Å; R559-E650 PolarHBondContact NH2-OE2 2.89Å; A582-E650 HydrophobicContact CB-CG 4.01Å; P645-E650 WeakPolarHBondContact CA-OE2 3.28Å; P645-E650 HydrophobicContact CB-CB 3.66Å; P645-E650 WeakPolarHBondContact CB-O 3.48Å; R646-E650 PolarHBondContact N-OE2 3.39Å; T647-E650 PolarHBondContact O-N 2.87Å; T647-E650 WeakPolarHBondContact OG1-CG 3.47Å
651	K	86	Confident	85.1	Confident	106 Å²	106	58.7 Å²	58.7	46%	0.461	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-88.1	146.5	166.5	-60	176.5	-172.4	170.1	0	109	D576 R586 I649 L653	D576-K651 IonicContact OD1-NZ 2.65Å; D576-K651 PolarHBondContact OD1-NZ 2.96Å; R586-K651 PolarHBondContact NH1-O 2.69Å; R586-K651 PolarHBondContact NH2-O 3.07Å; I649-K651 PolarHBondContact O-N 3.46Å; K651-L653 PolarHBondContact O-N 2.96Å
652	P	85.6	Confident	85.2	Confident	51 Å²	51	62 Å²	62	33%	0.331	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-50.9	136.7	171.1	-24.6	31.9	0	0	0	111.8	P645 F654 D655	P645-P652 HydrophobicContact CG-CG 4.29Å; P652-F654 VanDerWaalsContact C-N 3.3Å; P652-F654 PolarHBondContact O-N 3.38Å; P652-D655 WeakPolarHBondContact CD-OD2 3.31Å; P652-D655 PolarHBondContact O-N 3.25Å
653	L	85.2	Confident	85.4	Confident	2 Å²	2	61.9 Å²	61.9	1%	0.01	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-65.6	-34.2	-178.2	-77.7	-168.6	0	0	0	112.8	Y583 R586 V590 Q642 V643 K651 D655 S656 L659	Y583-L653 HydrophobicContact CD2-CD2 3.56Å; Y583-L653 HydrophobicContact CE2-CD2 3.86Å; Y583-L653 HydrophobicContact CG-CD2 4.28Å; R586-L653 HydrophobicContact CB-CD1 4.1Å; R586-L653 HydrophobicContact CB-CD2 4.13Å; V590-L653 HydrophobicContact CG2-CD1 4.05Å; Q642-L653 WeakPolarHBondContact O-CD1 3.49Å; V643-L653 PolarHBondContact O-N 3.45Å; K651-L653 PolarHBondContact O-N 2.96Å; L653-D655 PolarHBondContact O-N 3.18Å; L653-S656 PolarHBondContact O-N 2.69Å; L653-L659 HydrophobicContact CB-CD1 3.78Å; L653-L659 HydrophobicContact CD1-CD1 4.21Å; L653-L659 HydrophobicContact CD2-CD1 3.83Å; L653-L659 HydrophobicContact CG-CD1 4.14Å; L653-L659 WeakPolarHBondContact O-CD1 3.38Å
654	F	86.2	Confident	85.8	Confident	23 Å²	23	61.9 Å²	61.9	10%	0.101	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-76.8	0.6	-178.6	-60.8	-45.8	0	0	0	114.5	V643 P652 S656 Q660 F663 Y755 V756	V643-F654 HydrophobicContact CB-CE2 4.47Å; V643-F654 HydrophobicContact CG1-CD2 3.7Å; V643-F654 HydrophobicContact CG1-CE2 3.21Å; V643-F654 HydrophobicContact CG1-CZ 3.69Å; V643-F654 HydrophobicContact CG2-CE2 4.46Å; V643-F654 HydrophobicContact CG2-CZ 4.11Å; P652-F654 VanDerWaalsContact C-N 3.3Å; P652-F654 PolarHBondContact O-N 3.38Å; F654-S656 PolarHBondContact O-N 3.02Å; F654-Q660 HydrophobicContact CB-CG 4.4Å; F654-Q660 WeakPolarHBondContact O-CG 3.42Å; F654-Q660 PolarHBondContact O-NE2 2.93Å; F654-F663 HydrophobicContact CE1-CB 3.96Å; F654-F663 HydrophobicContact CE1-CD1 4.25Å; F654-F663 AromaticContact CE1-CD2 3.84Å; F654-F663 HydrophobicContact CE1-CD2 3.84Å; F654-F663 HydrophobicContact CE1-CE2 4.41Å; F654-F663 AromaticContact CE1-CG 3.77Å; F654-F663 HydrophobicContact CE1-CG 3.77Å; F654-F663 HydrophobicContact CZ-CD1 4.25Å; F654-F663 HydrophobicContact CZ-CD2 4.08Å; F654-F663 HydrophobicContact CZ-CE1 4.34Å; F654-F663 HydrophobicContact CZ-CE2 4.2Å; F654-F663 HydrophobicContact CZ-CG 4.13Å; F654-F663 HydrophobicContact CZ-CZ 4.33Å; F654-Y755 AromaticContact CE2-CD1 3.81Å; F654-Y755 HydrophobicContact CE2-CD1 3.81Å; F654-Y755 AromaticContact CZ-CD1 3.82Å; F654-Y755 HydrophobicContact CZ-CD1 3.82Å; F654-Y755 HydrophobicContact CZ-CG 4.4Å; F654-V756 HydrophobicContact CB-CG1 4.45Å; F654-V756 HydrophobicContact CD1-CG2 3.51Å; F654-V756 HydrophobicContact CD2-CG1 4.42Å; F654-V756 HydrophobicContact CD2-CG2 4.39Å; F654-V756 HydrophobicContact CE1-CG2 3.59Å; F654-V756 HydrophobicContact CE2-CG2 4.42Å; F654-V756 HydrophobicContact CG-CG1 4.3Å; F654-V756 HydrophobicContact CG-CG2 3.95Å; F654-V756 HydrophobicContact CZ-CG2 4.06Å
655	D	83.2	Confident	86.1	Confident	115 Å²	115	61.4 Å²	61.4	62%	0.615	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-68.2	-18.7	170.1	-70.6	-7.4	0	0	0	111.8	P652 L653	P652-D655 WeakPolarHBondContact CD-OD2 3.31Å; P652-D655 PolarHBondContact O-N 3.25Å; L653-D655 PolarHBondContact O-N 3.18Å
656	S	85.1	Confident	86.7	Confident	34 Å²	34	60.5 Å²	60.5	24%	0.238	30%	0.302	C	S	.	.	S	Bend	trans	-92.1	122.2	176.3	179	0	0	0	0	111.3	Y583 L653 F654 E658 L659 Q660	Y583-S656 WeakPolarHBondContact OH-CB 3.36Å; Y583-S656 PolarHBondContact OH-OG 3.41Å; L653-S656 PolarHBondContact O-N 2.69Å; F654-S656 PolarHBondContact O-N 3.02Å; S656-E658 PolarHBondContact O-N 3.38Å; S656-E658 VanDerWaalsContact O-N 3.15Å; S656-E658 PolarHBondContact OG-N 3.18Å; S656-L659 PolarHBondContact O-N 2.92Å; S656-Q660 PolarHBondContact O-N 2.68Å; S656-Q660 VanDerWaalsContact O-N 3.15Å
657	D	85.4	Confident	87.2	Confident	123 Å²	123	53.8 Å²	53.8	66%	0.658	28%	0.276	S	S	*	.	H	α-helix	trans	-52.6	-36.3	174.3	-62.2	-27.3	0	0	0	111.7	L659 Q660 E661	D657-L659 VanDerWaalsContact C-N 3.34Å; D657-L659 PolarHBondContact O-N 3.26Å; D657-Q660 PolarHBondContact O-N 3.43Å; D657-E661 PolarHBondContact O-N 3.32Å; D657-E661 VanDerWaalsContact O-N 3.13Å
658	E	86.8	Confident	88	Confident	83 Å²	83	52.5 Å²	52.5	39%	0.388	27%	0.269	S	S	.	.	H	α-helix	trans	-59.6	-43.5	178	-167.6	-162	177.5	0	0	111.7	K587 S656 E661 R662	K587-E658 IonicContact NZ-OE1 3.33Å; K587-E658 PolarHBondContact NZ-OE1 2.79Å; K587-E658 IonicContact NZ-OE2 3.51Å; K587-E658 PolarHBondContact NZ-OE2 3.48Å; S656-E658 PolarHBondContact O-N 3.38Å; S656-E658 VanDerWaalsContact O-N 3.15Å; S656-E658 PolarHBondContact OG-N 3.18Å; E658-E661 PolarHBondContact O-N 3.05Å; E658-R662 HydrophobicContact CG-CG 4.32Å; E658-R662 WeakPolarHBondContact O-CB 3.45Å; E658-R662 WeakPolarHBondContact O-CG 3.15Å; E658-R662 PolarHBondContact O-N 3.42Å
659	L	86.3	Confident	88.7	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-77.3	-29.2	-179.4	-84.5	179.2	0	0	0	112.4	Y583 K587 L653 S656 D657 E661 R662 F663 W666	Y583-L659 HydrophobicContact CE2-CD1 3.6Å; Y583-L659 VanDerWaalsContact OH-CD1 3.29Å; Y583-L659 WeakPolarHBondContact OH-CD1 3.5Å; Y583-L659 WeakPolarHBondContact OH-CG 3.43Å; K587-L659 HydrophobicContact CB-CD1 4.38Å; K587-L659 HydrophobicContact CD-CD2 4.24Å; K587-L659 HydrophobicContact CG-CD1 4.49Å; K587-L659 HydrophobicContact CG-CD2 3.9Å; L653-L659 HydrophobicContact CB-CD1 3.78Å; L653-L659 HydrophobicContact CD1-CD1 4.21Å; L653-L659 HydrophobicContact CD2-CD1 3.83Å; L653-L659 HydrophobicContact CG-CD1 4.14Å; L653-L659 WeakPolarHBondContact O-CD1 3.38Å; S656-L659 PolarHBondContact O-N 2.92Å; D657-L659 VanDerWaalsContact C-N 3.34Å; D657-L659 PolarHBondContact O-N 3.26Å; L659-E661 PolarHBondContact O-N 3.45Å; L659-R662 PolarHBondContact O-N 2.88Å; L659-F663 WeakPolarHBondContact O-CB 3.33Å; L659-F663 PolarHBondContact O-N 3.27Å; L659-W666 HydrophobicContact CD2-CH2 4.05Å; L659-W666 HydrophobicContact CD2-CZ3 3.84Å
660	Q	87.9	Confident	89.4	Confident	77 Å²	77	49.4 Å²	49.4	36%	0.36	24%	0.242	S	C	.	.	H	α-helix	trans	-61.2	-31.9	171	-62.9	-174.1	4.7	0	0	111.8	F654 S656 D657 P664 V756	F654-Q660 HydrophobicContact CB-CG 4.4Å; F654-Q660 WeakPolarHBondContact O-CG 3.42Å; F654-Q660 PolarHBondContact O-NE2 2.93Å; S656-Q660 PolarHBondContact O-N 2.68Å; S656-Q660 VanDerWaalsContact O-N 3.15Å; D657-Q660 PolarHBondContact O-N 3.43Å; Q660-P664 WeakPolarHBondContact O-CD 3.29Å; Q660-P664 WeakPolarHBondContact O-CG 3.14Å; Q660-V756 HydrophobicContact CB-CG2 4.28Å; Q660-V756 HydrophobicContact CG-CG2 4.28Å
661	E	88.6	Confident	89.9	Confident	111 Å²	111	48.9 Å²	48.9	52%	0.519	24%	0.239	S	C	.	.	H	α-helix	trans	-82	-44.1	174.1	-68	-176.4	168.8	0	0	113.1	D657 E658 L659 P664 E665	D657-E661 PolarHBondContact O-N 3.32Å; D657-E661 VanDerWaalsContact O-N 3.13Å; E658-E661 PolarHBondContact O-N 3.05Å; L659-E661 PolarHBondContact O-N 3.45Å; E661-P664 WeakPolarHBondContact O-CD 3.48Å; E661-P664 VanDerWaalsContact O-CG 3.31Å; E661-P664 WeakPolarHBondContact O-CG 3.49Å; E661-E665 WeakPolarHBondContact O-CG 3.47Å
662	R	91	Very high	90.4	Very high	110 Å²	110	46.5 Å²	46.5	42%	0.415	23%	0.231	S	C	.	.	H	α-helix	trans	-77.1	-32.6	-172.7	-67.4	-63.9	-171.4	144.7	3.3	114.4	E658 L659 E665 W666	E658-R662 HydrophobicContact CG-CG 4.32Å; E658-R662 WeakPolarHBondContact O-CB 3.45Å; E658-R662 WeakPolarHBondContact O-CG 3.15Å; E658-R662 PolarHBondContact O-N 3.42Å; L659-R662 PolarHBondContact O-N 2.88Å; R662-E665 WeakPolarHBondContact CD-OE2 3.37Å; R662-E665 WeakPolarHBondContact O-CB 3.23Å; R662-E665 PolarHBondContact O-N 3.49Å; R662-W666 HydrophobicContact CB-CD2 4.33Å; R662-W666 HydrophobicContact CB-CE3 4.42Å; R662-W666 HydrophobicContact CB-CH2 4.01Å; R662-W666 HydrophobicContact CB-CZ2 3.89Å; R662-W666 HydrophobicContact CB-CZ3 4.27Å; R662-W666 HydrophobicContact CG-CZ2 4.35Å; R662-W666 PolarHBondContact O-N 3.32Å
663	F	93.5	Very high	90.9	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.009	22%	0.217	C	C	.	.	H	α-helix	trans	-61.2	-51.3	-179.1	-167.9	-81.7	0	0	0	112.9	V590 F594 C639 V643 F654 L659 E665 W666 S667 Y750 Y755	V590-F663 HydrophobicContact CG1-CD2 3.59Å; V590-F663 HydrophobicContact CG1-CE2 3.58Å; F594-F663 HydrophobicContact CE2-CD2 4.43Å; F594-F663 HydrophobicContact CE2-CE1 4.36Å; F594-F663 HydrophobicContact CE2-CE2 4.04Å; F594-F663 HydrophobicContact CE2-CZ 4.01Å; F594-F663 HydrophobicContact CZ-CE1 4.27Å; F594-F663 HydrophobicContact CZ-CZ 4.04Å; C639-F663 HydrophobicContact CB-CE2 4.39Å; C639-F663 HydrophobicContact CB-CZ 4.3Å; V643-F663 HydrophobicContact CG2-CD2 4.49Å; V643-F663 HydrophobicContact CG2-CE2 3.71Å; V643-F663 HydrophobicContact CG2-CZ 4.29Å; F654-F663 HydrophobicContact CE1-CB 3.96Å; F654-F663 HydrophobicContact CE1-CD1 4.25Å; F654-F663 AromaticContact CE1-CD2 3.84Å; F654-F663 HydrophobicContact CE1-CD2 3.84Å; F654-F663 HydrophobicContact CE1-CE2 4.41Å; F654-F663 AromaticContact CE1-CG 3.77Å; F654-F663 HydrophobicContact CE1-CG 3.77Å; F654-F663 HydrophobicContact CZ-CD1 4.25Å; F654-F663 HydrophobicContact CZ-CD2 4.08Å; F654-F663 HydrophobicContact CZ-CE1 4.34Å; F654-F663 HydrophobicContact CZ-CE2 4.2Å; F654-F663 HydrophobicContact CZ-CG 4.13Å; F654-F663 HydrophobicContact CZ-CZ 4.33Å; L659-F663 WeakPolarHBondContact O-CB 3.33Å; L659-F663 PolarHBondContact O-N 3.27Å; F663-E665 VanDerWaalsContact C-N 3.29Å; F663-E665 PolarHBondContact O-N 3.46Å; F663-W666 PolarHBondContact O-N 2.9Å; F663-S667 PolarHBondContact O-N 3.39Å; F663-S667 PolarHBondContact O-OG 3.24Å; F663-Y750 AromaticContact CD1-CE2 3.97Å; F663-Y750 HydrophobicContact CD1-CE2 3.97Å; F663-Y750 WeakPolarHBondContact CD1-OH 3.32Å; F663-Y750 HydrophobicContact CE1-CD2 4.48Å; F663-Y750 AromaticContact CE1-CE2 3.56Å; F663-Y750 HydrophobicContact CE1-CE2 3.56Å; F663-Y750 AromaticContact CE1-CZ 3.93Å; F663-Y755 HydrophobicContact CE1-CD1 4.27Å; F663-Y755 AromaticContact CE1-CD2 3.72Å; F663-Y755 HydrophobicContact CE1-CD2 3.72Å; F663-Y755 HydrophobicContact CE1-CE2 4.21Å; F663-Y755 AromaticContact CE1-CG 3.75Å; F663-Y755 HydrophobicContact CE1-CG 3.75Å; F663-Y755 HydrophobicContact CZ-CD1 4.14Å; F663-Y755 AromaticContact CZ-CD2 3.92Å; F663-Y755 HydrophobicContact CZ-CD2 3.92Å; F663-Y755 HydrophobicContact CZ-CE1 4.15Å; F663-Y755 AromaticContact CZ-CE2 3.95Å; F663-Y755 HydrophobicContact CZ-CE2 3.95Å; F663-Y755 HydrophobicContact CZ-CG 4.02Å
664	P	93.3	Very high	91.4	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.013	22%	0.216	C	C	.	.	H	α-helix	trans	-62	-36.9	174.9	25.2	-34.7	0	0	0	111.8	Q660 E661 S667 G668 A757 L761	Q660-P664 WeakPolarHBondContact O-CD 3.29Å; Q660-P664 WeakPolarHBondContact O-CG 3.14Å; E661-P664 WeakPolarHBondContact O-CD 3.48Å; E661-P664 VanDerWaalsContact O-CG 3.31Å; E661-P664 WeakPolarHBondContact O-CG 3.49Å; P664-S667 VanDerWaalsContact CA-OG 3.32Å; P664-S667 WeakPolarHBondContact CA-OG 3.49Å; P664-S667 PolarHBondContact O-N 3.08Å; P664-S667 PolarHBondContact O-OG 3.01Å; P664-G668 PolarHBondContact O-N 2.71Å; P664-A757 HydrophobicContact CG-CB 4.18Å; P664-L761 HydrophobicContact CB-CB 4.3Å
665	E	93.5	Very high	91.9	Very high	65 Å²	65	43.6 Å²	43.6	30%	0.304	21%	0.214	S	C	.	.	H	α-helix	trans	-60.4	-48.9	175.9	-71	172	-173	0	0	112.5	E661 R662 F663 G668 I669 R760	E661-E665 WeakPolarHBondContact O-CG 3.47Å; R662-E665 WeakPolarHBondContact CD-OE2 3.37Å; R662-E665 WeakPolarHBondContact O-CB 3.23Å; R662-E665 PolarHBondContact O-N 3.49Å; F663-E665 VanDerWaalsContact C-N 3.29Å; F663-E665 PolarHBondContact O-N 3.46Å; E665-G668 PolarHBondContact O-N 3.18Å; E665-I669 VanDerWaalsContact O-CG1 3.3Å; E665-I669 WeakPolarHBondContact O-CG1 3.14Å; E665-I669 PolarHBondContact O-N 2.9Å; E665-R760 IonicContact OE1-CZ 3.2Å; E665-R760 IonicContact OE1-NH1 3.52Å; E665-R760 IonicContact OE1-NH2 3.79Å; E665-R760 PolarHBondContact OE1-NH2 3.49Å
666	W	94.1	Very high	92.4	Very high	34 Å²	34	39.4 Å²	39.4	13%	0.129	20%	0.195	C	C	.	.	H	α-helix	trans	-65.5	-41.7	178.6	-64.7	-28.6	0	0	0	112.4	K587 V590 R591 F594 L659 R662 F663 G668 I669 G670	K587-W666 HydrophobicContact CG-CH2 4.06Å; V590-W666 HydrophobicContact CG1-CE3 3.98Å; V590-W666 HydrophobicContact CG1-CZ3 4.14Å; R591-W666 HydrophobicContact CB-CD2 4.27Å; R591-W666 HydrophobicContact CB-CE3 4.2Å; R591-W666 HydrophobicContact CB-CH2 4.04Å; R591-W666 HydrophobicContact CB-CZ2 4.11Å; R591-W666 HydrophobicContact CB-CZ3 4.08Å; R591-W666 HydrophobicContact CG-CD2 4.43Å; R591-W666 HydrophobicContact CG-CZ2 4.22Å; F594-W666 HydrophobicContact CB-CB 4.13Å; F594-W666 HydrophobicContact CD2-CB 3.76Å; F594-W666 HydrophobicContact CG-CB 4.18Å; L659-W666 HydrophobicContact CD2-CH2 4.05Å; L659-W666 HydrophobicContact CD2-CZ3 3.84Å; R662-W666 HydrophobicContact CB-CD2 4.33Å; R662-W666 HydrophobicContact CB-CE3 4.42Å; R662-W666 HydrophobicContact CB-CH2 4.01Å; R662-W666 HydrophobicContact CB-CZ2 3.89Å; R662-W666 HydrophobicContact CB-CZ3 4.27Å; R662-W666 HydrophobicContact CG-CZ2 4.35Å; R662-W666 PolarHBondContact O-N 3.32Å; F663-W666 PolarHBondContact O-N 2.9Å; W666-G668 VanDerWaalsContact C-N 3.31Å; W666-G668 PolarHBondContact O-N 2.79Å; W666-I669 PolarHBondContact O-N 3.23Å; W666-G670 PolarHBondContact O-N 3.07Å
667	S	94.7	Very high	92.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.8	-40	174	64.4	0	0	0	0	112	F663 P664 G670 M671	F663-S667 PolarHBondContact O-N 3.39Å; F663-S667 PolarHBondContact O-OG 3.24Å; P664-S667 VanDerWaalsContact CA-OG 3.32Å; P664-S667 WeakPolarHBondContact CA-OG 3.49Å; P664-S667 PolarHBondContact O-N 3.08Å; P664-S667 PolarHBondContact O-OG 3.01Å; S667-G670 PolarHBondContact O-N 2.98Å; S667-M671 WeakPolarHBondContact O-CG 3.43Å; S667-M671 PolarHBondContact O-N 3.38Å
668	G	95.1	Very high	93.3	Very high	2 Å²	2	32.1 Å²	32.1	2%	0.021	15%	0.154	C	C	.	.	H	α-helix	trans	-63	-47	177.5	0	0	0	0	0	111.7	P664 E665 W666 G670 M671 I672	P664-G668 PolarHBondContact O-N 2.71Å; E665-G668 PolarHBondContact O-N 3.18Å; W666-G668 VanDerWaalsContact C-N 3.31Å; W666-G668 PolarHBondContact O-N 2.79Å; G668-G670 VanDerWaalsContact C-N 3.33Å; G668-G670 PolarHBondContact O-N 3.27Å; G668-M671 PolarHBondContact O-N 3.43Å; G668-I672 WeakPolarHBondContact O-CB 3.41Å; G668-I672 WeakPolarHBondContact O-CD1 3.26Å; G668-I672 WeakPolarHBondContact O-CG1 3.42Å; G668-I672 PolarHBondContact O-N 3.36Å
669	I	95	Very high	93.7	Very high	84 Å²	84	31.1 Å²	31.1	43%	0.431	15%	0.149	S	C	.	.	H	α-helix	trans	-58.3	-46.2	175.2	-67.6	163.1	0	0	0	110.8	E665 W666 M671 I672 S673	E665-I669 VanDerWaalsContact O-CG1 3.3Å; E665-I669 WeakPolarHBondContact O-CG1 3.14Å; E665-I669 PolarHBondContact O-N 2.9Å; W666-I669 PolarHBondContact O-N 3.23Å; I669-M671 VanDerWaalsContact C-N 3.32Å; I669-M671 PolarHBondContact O-N 3.31Å; I669-I672 PolarHBondContact O-N 3.14Å; I669-S673 PolarHBondContact O-N 3.45Å; I669-S673 VanDerWaalsContact O-N 3.08Å
670	G	94.2	Very high	94	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-57.9	-44.2	176.3	0	0	0	0	0	112	I601 W666 S667 G668 S673	I601-G670 WeakPolarHBondContact CD1-O 3.41Å; W666-G670 PolarHBondContact O-N 3.07Å; S667-G670 PolarHBondContact O-N 2.98Å; G668-G670 VanDerWaalsContact C-N 3.33Å; G668-G670 PolarHBondContact O-N 3.27Å; G670-S673 WeakPolarHBondContact O-CB 3.4Å; G670-S673 PolarHBondContact O-OG 2.79Å
671	M	97	Very high	94.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-68.5	-46	177.8	-71.5	-178.1	75	0	0	112.4	Y628 I632 F636 S667 G668 I669 S673 F674 N743 L746 L761 L765 W769	Y628-M671 WeakPolarHBondContact CE2-O 3.35Å; Y628-M671 WeakPolarHBondContact OH-CA 3.44Å; Y628-M671 VanDerWaalsContact OH-CB 3.26Å; Y628-M671 WeakPolarHBondContact OH-CB 3.3Å; Y628-M671 WeakPolarHBondContact OH-CE 3.29Å; Y628-M671 WeakPolarHBondContact OH-CG 3.02Å; Y628-M671 PolarHBondContact OH-O 3.1Å; I632-M671 HydrophobicContact CD1-CG 4.08Å; I632-M671 HydrophobicContact CG1-CG 4.23Å; I632-M671 HydrophobicContact CG2-CG 3.99Å; I632-M671 HydrophobicContact CG2-SD 4.43Å; F636-M671 HydrophobicContact CZ-SD 4.13Å; S667-M671 WeakPolarHBondContact O-CG 3.43Å; S667-M671 PolarHBondContact O-N 3.38Å; G668-M671 PolarHBondContact O-N 3.43Å; I669-M671 VanDerWaalsContact C-N 3.32Å; I669-M671 PolarHBondContact O-N 3.31Å; M671-S673 PolarHBondContact O-N 3.08Å; M671-F674 PolarHBondContact O-N 2.95Å; M671-N743 HydrophobicContact CE-CB 4.28Å; M671-N743 VanDerWaalsContact CE-OD1 3.29Å; M671-N743 WeakPolarHBondContact CE-OD1 3.49Å; M671-L746 HydrophobicContact CE-CB 4.1Å; M671-L746 HydrophobicContact CE-CD1 3.96Å; M671-L761 HydrophobicContact SD-CD2 4.46Å; M671-L765 HydrophobicContact CB-CD2 3.59Å; M671-L765 HydrophobicContact CE-CD1 3.49Å; M671-L765 VanDerWaalsContact CE-CD1 3.49Å; M671-L765 HydrophobicContact CE-CD2 4.21Å; M671-L765 HydrophobicContact CG-CD2 4.46Å; M671-L765 HydrophobicContact SD-CD1 3.74Å; M671-L765 HydrophobicContact SD-CD2 4.15Å; M671-W769 HydrophobicContact CB-CH2 4.29Å; M671-W769 VanDerWaalsContact O-CH2 3.3Å; M671-W769 WeakPolarHBondContact O-CH2 3.39Å
672	I	96.7	Very high	94.5	Very high	56 Å²	56	26.5 Å²	26.5	29%	0.287	12%	0.124	S	C	.	.	H	α-helix	trans	-62.1	-23.6	-179.4	-69.3	165.5	0	0	0	111.9	G668 I669 F674 I675 A676 L765 A768 W769	G668-I672 WeakPolarHBondContact O-CB 3.41Å; G668-I672 WeakPolarHBondContact O-CD1 3.26Å; G668-I672 WeakPolarHBondContact O-CG1 3.42Å; G668-I672 PolarHBondContact O-N 3.36Å; I669-I672 PolarHBondContact O-N 3.14Å; I672-F674 PolarHBondContact O-N 3.47Å; I672-I675 WeakPolarHBondContact O-CB 3.17Å; I672-I675 PolarHBondContact O-N 3.04Å; I672-A676 PolarHBondContact O-N 3.1Å; I672-L765 HydrophobicContact CG1-CD2 4.2Å; I672-A768 HydrophobicContact CD1-CB 3.88Å; I672-A768 HydrophobicContact CG1-CB 3.81Å; I672-A768 HydrophobicContact CG2-CB 4.45Å; I672-W769 HydrophobicContact CG1-CZ3 3.96Å
673	S	95.2	Very high	94.5	Very high	5 Å²	5	25 Å²	25	4%	0.035	12%	0.124	C	C	.	.	H	α-helix	trans	-54.9	-24	175.1	74.9	0	0	0	0	113.7	I601 I669 G670 M671 A676 V677	I601-S673 WeakPolarHBondContact CB-OG 3.46Å; I601-S673 WeakPolarHBondContact CD1-OG 3.3Å; I601-S673 WeakPolarHBondContact CG2-OG 3.37Å; I669-S673 PolarHBondContact O-N 3.45Å; I669-S673 VanDerWaalsContact O-N 3.08Å; G670-S673 WeakPolarHBondContact O-CB 3.4Å; G670-S673 PolarHBondContact O-OG 2.79Å; M671-S673 PolarHBondContact O-N 3.08Å; S673-A676 WeakPolarHBondContact O-CB 3.44Å; S673-A676 PolarHBondContact O-N 3.3Å; S673-V677 WeakPolarHBondContact O-CG2 3.49Å; S673-V677 PolarHBondContact O-N 2.8Å
674	F	97.1	Very high	94.3	Very high	1 Å²	1	29.5 Å²	29.5	0%	0.004	15%	0.145	C	C	.	.	H	α-helix	trans	-66.7	-35.9	172.4	-170.7	-98.4	0	0	0	113.4	I601 L624 P625 Y628 M671 I672 A676 V677 S678 N734 V735 V738	I601-F674 HydrophobicContact CG2-CB 4.36Å; L624-F674 HydrophobicContact CB-CE2 4.06Å; L624-F674 HydrophobicContact CB-CZ 4.44Å; P625-F674 HydrophobicContact CG-CZ 4.2Å; Y628-F674 HydrophobicContact CD1-CD2 4.47Å; Y628-F674 HydrophobicContact CD2-CB 3.62Å; Y628-F674 AromaticContact CD2-CD2 3.74Å; Y628-F674 HydrophobicContact CD2-CD2 3.74Å; Y628-F674 AromaticContact CD2-CG 3.93Å; Y628-F674 HydrophobicContact CD2-CG 3.93Å; Y628-F674 HydrophobicContact CE2-CB 3.65Å; Y628-F674 HydrophobicContact CE2-CG 4.31Å; Y628-F674 HydrophobicContact CG-CB 4.26Å; Y628-F674 AromaticContact CG-CD2 3.66Å; Y628-F674 HydrophobicContact CG-CD2 3.66Å; Y628-F674 HydrophobicContact CG-CE2 4.25Å; Y628-F674 HydrophobicContact CG-CG 4.06Å; M671-F674 PolarHBondContact O-N 2.95Å; I672-F674 PolarHBondContact O-N 3.47Å; F674-A676 VanDerWaalsContact C-N 3.34Å; F674-V677 WeakPolarHBondContact O-CB 3.45Å; F674-V677 PolarHBondContact O-N 2.85Å; F674-S678 WeakPolarHBondContact O-CB 3.47Å; F674-S678 PolarHBondContact O-N 3.41Å; F674-S678 PolarHBondContact O-OG 3.18Å; F674-N734 HydrophobicContact CZ-CB 4.39Å; F674-V735 HydrophobicContact CE1-CG2 4.33Å; F674-V738 HydrophobicContact CD1-CB 4.36Å; F674-V738 HydrophobicContact CD1-CG1 4.24Å; F674-V738 HydrophobicContact CD1-CG2 4.09Å; F674-V738 HydrophobicContact CE1-CB 4.12Å; F674-V738 HydrophobicContact CE1-CG1 4.48Å; F674-V738 HydrophobicContact CE1-CG2 3.56Å; F674-V738 HydrophobicContact CE2-CG2 4.43Å; F674-V738 HydrophobicContact CZ-CG2 3.75Å
675	I	95.3	Very high	94.1	Very high	9 Å²	9	30.1 Å²	30.1	5%	0.046	15%	0.148	C	C	.	.	H	α-helix	trans	-64.5	-43.7	172.7	-62.1	-60.3	0	0	0	109.5	I672 V677 S678 Q679 V735 W769	I672-I675 WeakPolarHBondContact O-CB 3.17Å; I672-I675 PolarHBondContact O-N 3.04Å; I675-V677 VanDerWaalsContact C-N 3.33Å; I675-V677 PolarHBondContact O-N 3.47Å; I675-S678 WeakPolarHBondContact O-CB 3.16Å; I675-S678 PolarHBondContact O-N 3.39Å; I675-S678 VanDerWaalsContact O-N 3.1Å; I675-Q679 HydrophobicContact CG2-CG 4.35Å; I675-Q679 WeakPolarHBondContact O-CG 3.33Å; I675-Q679 PolarHBondContact O-N 2.87Å; I675-V735 HydrophobicContact CD1-CG1 3.63Å; I675-V735 HydrophobicContact CD1-CG2 4.12Å; I675-W769 HydrophobicContact CD1-CD2 3.85Å; I675-W769 HydrophobicContact CD1-CE3 4.36Å; I675-W769 HydrophobicContact CD1-CG 4.01Å; I675-W769 HydrophobicContact CD1-CZ2 4.35Å; I675-W769 HydrophobicContact CG1-CD2 4Å; I675-W769 HydrophobicContact CG1-CE3 3.99Å; I675-W769 HydrophobicContact CG1-CH2 4.37Å; I675-W769 HydrophobicContact CG1-CZ2 4.32Å; I675-W769 HydrophobicContact CG1-CZ3 4.17Å
676	A	94.1	Very high	93.7	Very high	27 Å²	27	29.3 Å²	29.3	22%	0.223	14%	0.144	C	C	.	.	H	α-helix	trans	-61.6	-40.3	176.4	0	0	0	0	0	112.3	I672 S673 F674 S678 Q679 R680	I672-A676 PolarHBondContact O-N 3.1Å; S673-A676 WeakPolarHBondContact O-CB 3.44Å; S673-A676 PolarHBondContact O-N 3.3Å; F674-A676 VanDerWaalsContact C-N 3.34Å; A676-S678 VanDerWaalsContact C-N 3.34Å; A676-Q679 PolarHBondContact O-N 3.41Å; A676-R680 WeakPolarHBondContact O-CG 3.42Å; A676-R680 PolarHBondContact O-N 3.37Å
677	V	95.1	Very high	93.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.4	-45.8	171.8	166.5	0	0	0	0	111.2	I601 Q605 S673 F674 I675 Q679 R680 L681	I601-V677 HydrophobicContact CG2-CG2 3.96Å; I601-V677 WeakPolarHBondContact O-CG2 3.27Å; Q605-V677 HydrophobicContact CB-CG1 4.14Å; S673-V677 WeakPolarHBondContact O-CG2 3.49Å; S673-V677 PolarHBondContact O-N 2.8Å; F674-V677 WeakPolarHBondContact O-CB 3.45Å; F674-V677 PolarHBondContact O-N 2.85Å; I675-V677 VanDerWaalsContact C-N 3.33Å; I675-V677 PolarHBondContact O-N 3.47Å; V677-Q679 PolarHBondContact O-N 3.19Å; V677-R680 PolarHBondContact O-N 3.34Å; V677-L681 HydrophobicContact CG1-CD1 4.15Å; V677-L681 WeakPolarHBondContact O-CG 3.34Å; V677-L681 PolarHBondContact O-N 2.89Å
678	S	94.6	Very high	92.5	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.021	18%	0.178	C	C	.	.	H	α-helix	trans	-63.9	-41.5	-179.6	-58.9	0	0	0	0	111.6	F674 I675 A676 L681 A682 V731 V735	F674-S678 WeakPolarHBondContact O-CB 3.47Å; F674-S678 PolarHBondContact O-N 3.41Å; F674-S678 PolarHBondContact O-OG 3.18Å; I675-S678 WeakPolarHBondContact O-CB 3.16Å; I675-S678 PolarHBondContact O-N 3.39Å; I675-S678 VanDerWaalsContact O-N 3.1Å; A676-S678 VanDerWaalsContact C-N 3.34Å; S678-L681 PolarHBondContact O-N 3.46Å; S678-A682 PolarHBondContact O-N 3.18Å; S678-V731 WeakPolarHBondContact O-CG1 3.2Å; S678-V735 WeakPolarHBondContact OG-CG2 3.46Å
679	Q	94.8	Very high	91.4	Very high	62 Å²	62	35.8 Å²	35.8	29%	0.29	18%	0.181	S	C	.	.	H	α-helix	trans	-64.5	-43.7	175.2	-71.5	177.2	-43.2	0	0	112.1	I675 A676 V677 L681 A682 D683 D775	I675-Q679 HydrophobicContact CG2-CG 4.35Å; I675-Q679 WeakPolarHBondContact O-CG 3.33Å; I675-Q679 PolarHBondContact O-N 2.87Å; A676-Q679 PolarHBondContact O-N 3.41Å; V677-Q679 PolarHBondContact O-N 3.19Å; Q679-L681 VanDerWaalsContact C-N 3.34Å; Q679-L681 PolarHBondContact O-N 3.19Å; Q679-A682 CarbonylContact O-C 3.59Å; Q679-A682 WeakPolarHBondContact O-CA 3.37Å; Q679-A682 WeakPolarHBondContact O-CB 2.97Å; Q679-A682 PolarHBondContact O-N 3.34Å; Q679-A682 VanDerWaalsContact O-N 3.14Å; Q679-D683 PolarHBondContact O-N 2.59Å; Q679-D775 WeakPolarHBondContact CG-OD2 3.45Å; Q679-D775 PolarHBondContact NE2-OD2 3.09Å
680	R	93.9	Very high	90	Very high	89 Å²	89	38 Å²	38	34%	0.336	19%	0.19	S	C	.	.	H	α-helix	trans	-64.7	-37.6	175.9	-70.9	177	-171.4	163.6	3.2	112.3	E602 Q605 A676 V677 A682 D683 Q684	E602-R680 IonicContact OE2-CZ 3.71Å; E602-R680 IonicContact OE2-NH1 2.67Å; E602-R680 PolarHBondContact OE2-NH1 3.26Å; E602-R680 IonicContact OE2-NH2 3.84Å; E602-R680 PolarHBondContact OE2-NH2 3.33Å; Q605-R680 VanDerWaalsContact OE1-CB 3.29Å; Q605-R680 VanDerWaalsContact OE1-CD 3.31Å; A676-R680 WeakPolarHBondContact O-CG 3.42Å; A676-R680 PolarHBondContact O-N 3.37Å; V677-R680 PolarHBondContact O-N 3.34Å; R680-A682 VanDerWaalsContact C-N 3.32Å; R680-D683 PolarHBondContact O-N 2.87Å; R680-Q684 VanDerWaalsContact O-CG 3.32Å; R680-Q684 WeakPolarHBondContact O-CG 3.17Å; R680-Q684 PolarHBondContact O-N 3.24Å
681	L	93.4	Very high	88.1	Confident	4 Å²	4	45.5 Å²	45.5	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-63.3	-40.3	172.4	-74.9	173.2	0	0	0	111	Q605 E608 W610 L624 V677 S678 Q679 Q684 I685 V731	Q605-L681 HydrophobicContact CB-CD2 4.13Å; Q605-L681 HydrophobicContact CB-CG 4.24Å; E608-L681 HydrophobicContact CB-CD2 4.48Å; W610-L681 HydrophobicContact CZ2-CD2 4.46Å; L624-L681 HydrophobicContact CD1-CD1 3.67Å; V677-L681 HydrophobicContact CG1-CD1 4.15Å; V677-L681 WeakPolarHBondContact O-CG 3.34Å; V677-L681 PolarHBondContact O-N 2.89Å; S678-L681 PolarHBondContact O-N 3.46Å; Q679-L681 VanDerWaalsContact C-N 3.34Å; Q679-L681 PolarHBondContact O-N 3.19Å; L681-Q684 PolarHBondContact O-N 2.7Å; L681-I685 VanDerWaalsContact O-CG1 3.29Å; L681-I685 WeakPolarHBondContact O-CG1 3.41Å; L681-I685 PolarHBondContact O-N 2.87Å; L681-V731 HydrophobicContact CB-CG2 4.17Å
682	A	92	Very high	86.2	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.4	-44.6	173.6	0	0	0	0	0	111.9	S678 Q679 R680 Q684 I685 E686 L728	S678-A682 PolarHBondContact O-N 3.18Å; Q679-A682 CarbonylContact O-C 3.59Å; Q679-A682 WeakPolarHBondContact O-CA 3.37Å; Q679-A682 WeakPolarHBondContact O-CB 2.97Å; Q679-A682 PolarHBondContact O-N 3.34Å; Q679-A682 VanDerWaalsContact O-N 3.14Å; R680-A682 VanDerWaalsContact C-N 3.32Å; A682-Q684 VanDerWaalsContact C-N 3.33Å; A682-Q684 PolarHBondContact O-N 3.27Å; A682-I685 PolarHBondContact O-N 3.36Å; A682-E686 WeakPolarHBondContact O-CG 3.41Å; A682-E686 PolarHBondContact O-N 3.08Å; A682-L728 HydrophobicContact CB-CD2 3.63Å
683	D	91.8	Very high	84.1	Confident	78 Å²	78	48.7 Å²	48.7	42%	0.417	24%	0.235	S	C	.	.	H	α-helix	trans	-58.3	-43.7	174.9	-66.3	-36.3	0	0	0	111.7	Q679 R680 I685 E686 H687 R779	Q679-D683 PolarHBondContact O-N 2.59Å; R680-D683 PolarHBondContact O-N 2.87Å; D683-I685 VanDerWaalsContact C-N 3.35Å; D683-I685 PolarHBondContact O-N 2.83Å; D683-E686 PolarHBondContact O-N 3.1Å; D683-H687 WeakPolarHBondContact O-CB 3.49Å; D683-H687 PolarHBondContact O-N 3.15Å; D683-R779 IonicContact OD1-CZ 2.72Å; D683-R779 IonicContact OD1-NH1 3.76Å; D683-R779 PolarHBondContact OD1-NH1 3.09Å; D683-R779 IonicContact OD1-NH2 3.22Å; D683-R779 PolarHBondContact OD1-NH2 3.43Å
684	Q	89.4	Confident	81.7	Confident	97 Å²	97	50.4 Å²	50.4	45%	0.453	25%	0.254	S	S	.	.	H	α-helix	trans	-61.9	-43.8	177.5	-73.8	176.1	17.7	0	0	111.3	R680 L681 A682 H687 T688	R680-Q684 VanDerWaalsContact O-CG 3.32Å; R680-Q684 WeakPolarHBondContact O-CG 3.17Å; R680-Q684 PolarHBondContact O-N 3.24Å; L681-Q684 PolarHBondContact O-N 2.7Å; A682-Q684 VanDerWaalsContact C-N 3.33Å; A682-Q684 PolarHBondContact O-N 3.27Å; Q684-H687 PolarHBondContact O-N 2.67Å; Q684-T688 WeakPolarHBondContact O-CG2 3.3Å; Q684-T688 PolarHBondContact O-N 3.15Å; Q684-T688 VanDerWaalsContact O-N 3.13Å
685	I	88.6	Confident	79.3	Confident	15 Å²	15	56.9 Å²	56.9	8%	0.077	28%	0.284	C	S	.	.	H	α-helix	trans	-61	-49.9	176	-67.9	162.7	0	0	0	110.1	W610 L681 A682 D683 H687 T688 V689 Q724 L728 V731	W610-I685 HydrophobicContact CH2-CD1 3.66Å; W610-I685 HydrophobicContact CH2-CG1 4.44Å; W610-I685 HydrophobicContact CZ2-CD1 4.16Å; W610-I685 HydrophobicContact CZ2-CG1 4.49Å; L681-I685 VanDerWaalsContact O-CG1 3.29Å; L681-I685 WeakPolarHBondContact O-CG1 3.41Å; L681-I685 PolarHBondContact O-N 2.87Å; A682-I685 PolarHBondContact O-N 3.36Å; D683-I685 VanDerWaalsContact C-N 3.35Å; D683-I685 PolarHBondContact O-N 2.83Å; I685-H687 VanDerWaalsContact C-N 3.31Å; I685-H687 PolarHBondContact O-N 3.24Å; I685-T688 PolarHBondContact O-N 3.29Å; I685-T688 PolarHBondContact O-OG1 3.32Å; I685-V689 WeakPolarHBondContact O-CG2 3.44Å; I685-V689 PolarHBondContact O-N 2.91Å; I685-Q724 HydrophobicContact CG2-CB 3.64Å; I685-Q724 HydrophobicContact CG2-CG 4.02Å; I685-Q724 WeakPolarHBondContact CG2-O 3.41Å; I685-L728 HydrophobicContact CB-CD2 4.2Å; I685-L728 HydrophobicContact CB-CG 4.49Å; I685-L728 HydrophobicContact CD1-CD2 3.95Å; I685-L728 HydrophobicContact CD1-CG 4.28Å; I685-L728 HydrophobicContact CG2-CD2 4.24Å; I685-L728 HydrophobicContact CG2-CG 3.99Å; I685-V731 HydrophobicContact CD1-CG2 4.35Å
686	E	85.3	Confident	76.8	Confident	48 Å²	48	60.4 Å²	60.4	22%	0.224	30%	0.303	C	S	.	.	H	α-helix	trans	-61.3	-37.5	179.5	-71.4	-178	140.1	0	0	112.5	A682 D683 T688 V689 Q690 R779	A682-E686 WeakPolarHBondContact O-CG 3.41Å; A682-E686 PolarHBondContact O-N 3.08Å; D683-E686 PolarHBondContact O-N 3.1Å; E686-T688 VanDerWaalsContact C-N 3.3Å; E686-T688 PolarHBondContact O-N 3.38Å; E686-V689 VanDerWaalsContact O-CB 3.27Å; E686-V689 WeakPolarHBondContact O-CB 3.37Å; E686-V689 PolarHBondContact O-N 2.63Å; E686-V689 VanDerWaalsContact O-N 3.09Å; E686-Q690 PolarHBondContact O-N 3.17Å; E686-Q690 VanDerWaalsContact O-N 3.13Å; E686-R779 WeakPolarHBondContact OE1-CB 3.47Å; E686-R779 WeakPolarHBondContact OE1-CG 3.48Å; E686-R779 IonicContact OE2-CZ 2.79Å; E686-R779 IonicContact OE2-NH1 2.64Å; E686-R779 PolarHBondContact OE2-NH1 3.33Å
687	H	83.6	Confident	74.2	Confident	88 Å²	88	66.6 Å²	66.6	41%	0.407	33%	0.327	S	S	.	.	H	α-helix	trans	-65.9	-32.4	175.8	-165.9	-48.4	0	0	0	112.1	D683 Q684 I685 V689 Q690 R691	D683-H687 WeakPolarHBondContact O-CB 3.49Å; D683-H687 PolarHBondContact O-N 3.15Å; Q684-H687 PolarHBondContact O-N 2.67Å; I685-H687 VanDerWaalsContact C-N 3.31Å; I685-H687 PolarHBondContact O-N 3.24Å; H687-V689 VanDerWaalsContact C-N 3.27Å; H687-V689 PolarHBondContact O-N 3.27Å; H687-Q690 PolarHBondContact O-N 3.22Å; H687-R691 PolarHBondContact CE1-NE 3.24Å; H687-R691 PolarHBondContact CE1-NH2 2.89Å; H687-R691 PolarHBondContact ND1-NE 3.02Å; H687-R691 PolarHBondContact O-N 2.86Å; H687-R691 VanDerWaalsContact O-N 3.09Å
688	T	80.7	Confident	71.6	Confident	70 Å²	70	71.3 Å²	71.3	43%	0.429	36%	0.36	S	S	.	.	H	α-helix	trans	-67.9	-29.4	173.2	65.7	0	0	0	0	112.2	Q684 I685 E686 A692 Q724	Q684-T688 WeakPolarHBondContact O-CG2 3.3Å; Q684-T688 PolarHBondContact O-N 3.15Å; Q684-T688 VanDerWaalsContact O-N 3.13Å; I685-T688 PolarHBondContact O-N 3.29Å; I685-T688 PolarHBondContact O-OG1 3.32Å; E686-T688 VanDerWaalsContact C-N 3.3Å; E686-T688 PolarHBondContact O-N 3.38Å; T688-A692 PolarHBondContact O-N 3.32Å; T688-Q724 PolarHBondContact O-NE2 3.07Å; T688-Q724 PolarHBondContact OG1-NE2 3.4Å
689	V	72.3	Confident	68.9	Low	14 Å²	14	75.5 Å²	75.5	9%	0.085	39%	0.389	C	S	.	.	H	α-helix	trans	-66.3	-49.7	174.1	-174.7	0	0	0	0	109.7	I685 E686 H687 R691 A692 H693 Q724 L783	I685-V689 WeakPolarHBondContact O-CG2 3.44Å; I685-V689 PolarHBondContact O-N 2.91Å; E686-V689 VanDerWaalsContact O-CB 3.27Å; E686-V689 WeakPolarHBondContact O-CB 3.37Å; E686-V689 PolarHBondContact O-N 2.63Å; E686-V689 VanDerWaalsContact O-N 3.09Å; H687-V689 VanDerWaalsContact C-N 3.27Å; H687-V689 PolarHBondContact O-N 3.27Å; V689-R691 PolarHBondContact O-N 2.96Å; V689-A692 WeakPolarHBondContact O-CB 3.31Å; V689-A692 PolarHBondContact O-N 3.16Å; V689-H693 PolarHBondContact O-N 3.03Å; V689-H693 PolarHBondContact O-ND1 2.86Å; V689-Q724 HydrophobicContact CG2-CB 4.1Å; V689-Q724 HydrophobicContact CG2-CG 4.07Å; V689-Q724 VanDerWaalsContact N-NE2 3.19Å; V689-L783 HydrophobicContact CB-CD1 4.42Å; V689-L783 HydrophobicContact CG1-CD1 3.81Å; V689-L783 HydrophobicContact CG2-CD1 3.78Å; V689-L783 HydrophobicContact CG2-CD2 4.11Å
690	Q	63.9	Low	65.8	Low	132 Å²	132	78.8 Å²	78.8	62%	0.617	41%	0.409	S	S	*	.	H	α-helix	trans	-65.4	-36.6	-177.3	-67.3	177.9	4.7	0	0	112.7	E686 H687 A692 H693 G694	E686-Q690 PolarHBondContact O-N 3.17Å; E686-Q690 VanDerWaalsContact O-N 3.13Å; H687-Q690 PolarHBondContact O-N 3.22Å; Q690-A692 VanDerWaalsContact C-N 3.31Å; Q690-A692 PolarHBondContact O-N 3.15Å; Q690-H693 PolarHBondContact O-N 3.28Å; Q690-G694 PolarHBondContact O-N 2.94Å
691	R	55.6	Low	62.9	Low	157 Å²	157	81 Å²	81	59%	0.592	43%	0.427	S	S	*	.	H	α-helix	trans	-63.1	-37.6	174.5	-78.7	-177.2	-178	160.5	11.6	112.5	H687 V689 H693 G694 Q695	H687-R691 PolarHBondContact CE1-NE 3.24Å; H687-R691 PolarHBondContact CE1-NH2 2.89Å; H687-R691 PolarHBondContact ND1-NE 3.02Å; H687-R691 PolarHBondContact O-N 2.86Å; H687-R691 VanDerWaalsContact O-N 3.09Å; V689-R691 PolarHBondContact O-N 2.96Å; R691-H693 VanDerWaalsContact C-N 3.27Å; R691-H693 PolarHBondContact O-N 3.39Å; R691-G694 PolarHBondContact O-N 3.09Å; R691-Q695 WeakPolarHBondContact O-CG 3.44Å; R691-Q695 PolarHBondContact O-N 2.82Å
692	A	55.9	Low	59.9	Low	22 Å²	22	90.4 Å²	90.4	18%	0.182	46%	0.464	C	S	.	.	H	α-helix	trans	-62.3	-37.4	175	0	0	0	0	0	111.3	T688 V689 Q690	T688-A692 PolarHBondContact O-N 3.32Å; V689-A692 WeakPolarHBondContact O-CB 3.31Å; V689-A692 PolarHBondContact O-N 3.16Å; Q690-A692 VanDerWaalsContact C-N 3.31Å; Q690-A692 PolarHBondContact O-N 3.15Å
693	H	53	Low	57	Low	101 Å²	101	99.5 Å²	99.5	47%	0.468	51%	0.506	S	S	.	.	H	α-helix	trans	-75	-39	176.8	-68	68.9	0	0	0	113	V689 Q690 R691 D696	V689-H693 PolarHBondContact O-N 3.03Å; V689-H693 PolarHBondContact O-ND1 2.86Å; Q690-H693 PolarHBondContact O-N 3.28Å; R691-H693 VanDerWaalsContact C-N 3.27Å; R691-H693 PolarHBondContact O-N 3.39Å; H693-D696 PolarHBondContact O-N 2.84Å
694	G	45.6	Very low	53.9	Low	42 Å²	42	104.6 Å²	104.6	43%	0.433	53%	0.528	S	S	.	.	H	α-helix	trans	-74.7	-29.7	-177.6	0	0	0	0	0	114.3	Q690 R691 D696 E697 S698	Q690-G694 PolarHBondContact O-N 2.94Å; R691-G694 PolarHBondContact O-N 3.09Å; G694-D696 PolarHBondContact O-N 3.1Å; G694-E697 PolarHBondContact O-N 3.41Å; G694-S698 PolarHBondContact O-N 3.15Å
695	Q	46.6	Very low	50.9	Low	136 Å²	136	104 Å²	104	64%	0.636	54%	0.535	S	S	*	.	H	α-helix	trans	-63.8	-33.9	172.8	-77.7	-176.9	-11.6	0	0	111.5	R691 E697 S698 S699	R691-Q695 WeakPolarHBondContact O-CG 3.44Å; R691-Q695 PolarHBondContact O-N 2.82Å; Q695-E697 VanDerWaalsContact C-N 3.34Å; Q695-E697 PolarHBondContact O-N 3.29Å; Q695-S698 PolarHBondContact O-N 3.09Å; Q695-S698 PolarHBondContact O-OG 3.42Å; Q695-S698 VanDerWaalsContact O-OG 3.06Å; Q695-S699 PolarHBondContact O-OG 2.99Å
696	D	42.7	Very low	48.1	Very low	84 Å²	84	114.8 Å²	114.8	45%	0.449	57%	0.574	S	S	.	*	H	α-helix	trans	-64.3	-33.8	178.5	-72.8	-23.5	0	0	0	113	H693 G694 S699	H693-D696 PolarHBondContact O-N 2.84Å; G694-D696 PolarHBondContact O-N 3.1Å; D696-S699 PolarHBondContact O-OG 2.98Å
697	E	40.4	Very low	45.6	Very low	157 Å²	157	119.3 Å²	119.3	73%	0.734	60%	0.598	S	S	*	*	H	α-helix	trans	-78.3	-28.9	178.3	-70.9	-158	160.7	0	0	113.7	G694 Q695	G694-E697 PolarHBondContact O-N 3.41Å; Q695-E697 VanDerWaalsContact C-N 3.34Å; Q695-E697 PolarHBondContact O-N 3.29Å
698	S	39.2	Very low	43	Very low	99 Å²	99	121.3 Å²	121.3	69%	0.692	61%	0.612	S	S	*	*	H	α-helix	trans	-79	-17.4	-175.7	61.7	0	0	0	0	114.5	G694 Q695 N700	G694-S698 PolarHBondContact O-N 3.15Å; Q695-S698 PolarHBondContact O-N 3.09Å; Q695-S698 PolarHBondContact O-OG 3.42Å; Q695-S698 VanDerWaalsContact O-OG 3.06Å; S698-N700 PolarHBondContact O-N 2.95Å
699	S	37.5	Very low	40.5	Very low	90 Å²	90	121.4 Å²	121.4	63%	0.629	62%	0.616	S	S	*	*			trans	-82.9	50.9	171	38.2	0	0	0	0	112.5	Q695 D696	Q695-S699 PolarHBondContact O-OG 2.99Å; D696-S699 PolarHBondContact O-OG 2.98Å
700	N	30.6	Very low	38.5	Very low	132 Å²	132	122.8 Å²	122.8	71%	0.706	63%	0.633	S	S	*	*			trans	-103.9	66.5	173.6	-103.2	-25.3	0	0	0	110	S698	S698-N700 PolarHBondContact O-N 2.95Å
701	D	32.2	Very low	37.2	Very low	134 Å²	134	120.9 Å²	120.9	72%	0.717	63%	0.63	S	S	*	*	S	Bend	trans	-141.1	105.9	164.7	-101.6	-21.9	0	0	0	109.4
702	Y	31.6	Very low	36.1	Very low	203 Å²	203	118.5 Å²	118.5	80%	0.796	63%	0.629	S	S	*	*	S	Bend	trans	54.9	86.8	159.8	-55.3	-85.1	0	0	0	118.8
703	Q	29.8	Very low	35.3	Very low	191 Å²	191	121 Å²	121	89%	0.893	64%	0.639	S	S	*	*				-170.6	126.2	122.7	-135	141.1	-35.4	0	0	113.1	S705	Q703-S705 PolarHBondContact O-N 3.44Å
704	Q	28.4	Very low	34.9	Very low	185 Å²	185	119.9 Å²	119.9	86%	0.864	64%	0.636	S	S	*	*			trans	-57.1	96.4	167.5	-100.3	110.6	-25.3	0	0	112.5
705	S	26.2	Very low	35	Very low	85 Å²	85	126.4 Å²	126.4	59%	0.594	65%	0.648	S	S	*	*			trans	-155.6	83.1	155.1	-160.2	0	0	0	0	110.5	Q703 I707	Q703-S705 PolarHBondContact O-N 3.44Å; S705-I707 PolarHBondContact O-N 3.3Å
706	W	28.5	Very low	35.1	Very low	240 Å²	240	124.5 Å²	124.5	91%	0.909	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	16.1	-166.2	-93.2	69.2	0	0	0	115.8
707	I	33.5	Very low	35.7	Very low	143 Å²	143	121.5 Å²	121.5	73%	0.733	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.2	-36.6	-176.6	-57.4	-178.8	0	0	0	113.6	S705	S705-I707 PolarHBondContact O-N 3.3Å
708	D	28.9	Very low	36.6	Very low	130 Å²	130	114.4 Å²	114.4	70%	0.695	60%	0.597	S	S	*	*	H	α-helix	trans	-93.6	-23.7	-175.5	-89.5	-17.9	0	0	0	115.3
709	S	28.8	Very low	37.6	Very low	72 Å²	72	116.2 Å²	116.2	50%	0.503	59%	0.594	S	S	.	*	H	α-helix	trans	-73.4	-28.8	177.5	-87.8	0	0	0	0	113.3	V711 N713	S709-V711 PolarHBondContact O-N 2.96Å; S709-N713 VanDerWaalsContact O-CB 3.23Å; S709-N713 WeakPolarHBondContact O-CB 3.33Å; S709-N713 PolarHBondContact O-N 2.91Å
710	G	29.5	Very low	39.1	Very low	43 Å²	43	115.6 Å²	115.6	44%	0.443	58%	0.584	S	S	.	*	H	α-helix	trans	-63.3	-41.4	-175.2	0	0	0	0	0	113.3	L714	G710-L714 WeakPolarHBondContact O-CB 3.37Å; G710-L714 PolarHBondContact O-N 3.03Å
711	V	36.2	Very low	41.3	Very low	92 Å²	92	109.9 Å²	109.9	56%	0.558	55%	0.553	S	S	*	*	H	α-helix	trans	-75.5	-38.8	-175.2	-170.1	0	0	0	0	111.7	S709 R715	S709-V711 PolarHBondContact O-N 2.96Å; V711-R715 PolarHBondContact O-N 2.7Å
712	N	34	Very low	43.5	Very low	108 Å²	108	105.6 Å²	105.6	58%	0.578	53%	0.53	S	S	*	.	H	α-helix	trans	-71.6	-38.5	175.5	-86.2	-10	0	0	0	111.9	R715 N716	N712-R715 PolarHBondContact O-N 3.37Å; N712-N716 PolarHBondContact O-N 3.33Å
713	N	38.7	Very low	45.9	Very low	73 Å²	73	99.3 Å²	99.3	39%	0.39	52%	0.515	S	S	.	.	H	α-helix	trans	-66.4	-39.9	175	-72	-2.2	0	0	0	111.6	S709 R715 N716 S717	S709-N713 VanDerWaalsContact O-CB 3.23Å; S709-N713 WeakPolarHBondContact O-CB 3.33Å; S709-N713 PolarHBondContact O-N 2.91Å; N713-R715 PolarHBondContact O-N 3.3Å; N713-N716 PolarHBondContact O-N 3.47Å; N713-S717 PolarHBondContact O-N 3.3Å; N713-S717 PolarHBondContact O-OG 3.06Å
714	L	44.1	Very low	48.6	Very low	78 Å²	78	91 Å²	91	41%	0.408	48%	0.477	S	S	.	.	H	α-helix	trans	-64.9	-36.4	174	-109.1	72.5	0	0	0	113.3	G710 S717 G718 L790	G710-L714 WeakPolarHBondContact O-CB 3.37Å; G710-L714 PolarHBondContact O-N 3.03Å; L714-S717 WeakPolarHBondContact CA-OG 3.44Å; L714-S717 PolarHBondContact O-OG 2.73Å; L714-G718 PolarHBondContact O-N 3.36Å; L714-L790 HydrophobicContact CD2-CD2 4.36Å; L714-L790 HydrophobicContact CD2-CG 4.36Å; L714-L790 HydrophobicContact CG-CD2 4.3Å
715	R	47.3	Very low	51.4	Low	180 Å²	180	82.2 Å²	82.2	68%	0.679	44%	0.436	S	S	*	.	H	α-helix	trans	-66.9	-41.9	175.8	-84.8	-174.4	174.8	-141.5	-1.3	111.8	V711 N712 N713 G718 Q719	V711-R715 PolarHBondContact O-N 2.7Å; N712-R715 PolarHBondContact O-N 3.37Å; N713-R715 PolarHBondContact O-N 3.3Å; R715-G718 PolarHBondContact O-N 2.7Å; R715-Q719 PolarHBondContact O-N 3.2Å
716	N	49.7	Very low	54.4	Low	96 Å²	96	83.1 Å²	83.1	51%	0.513	43%	0.426	S	S	.	.	H	α-helix	trans	-66.5	-42.7	177.3	-73.1	-10.5	0	0	0	111.4	N712 N713 G718 Q719 N720	N712-N716 PolarHBondContact O-N 3.33Å; N713-N716 PolarHBondContact O-N 3.47Å; N716-G718 VanDerWaalsContact C-N 3.32Å; N716-G718 PolarHBondContact O-N 3.03Å; N716-Q719 PolarHBondContact O-N 3.21Å; N716-N720 PolarHBondContact O-N 2.93Å
717	S	55.7	Low	57.3	Low	20 Å²	20	72.1 Å²	72.1	14%	0.14	39%	0.387	C	S	.	.	H	α-helix	trans	-63.9	-39.6	174.1	69.5	0	0	0	0	111.4	N713 L714 Q719 N720 I721	N713-S717 PolarHBondContact O-N 3.3Å; N713-S717 PolarHBondContact O-OG 3.06Å; L714-S717 WeakPolarHBondContact CA-OG 3.44Å; L714-S717 PolarHBondContact O-OG 2.73Å; S717-Q719 PolarHBondContact O-N 2.98Å; S717-N720 PolarHBondContact O-N 2.8Å; S717-I721 WeakPolarHBondContact O-CD1 3.5Å; S717-I721 VanDerWaalsContact O-CG1 3.22Å; S717-I721 WeakPolarHBondContact O-CG1 3.17Å; S717-I721 PolarHBondContact O-N 3.11Å
718	G	58.3	Low	60.1	Low	9 Å²	9	65.3 Å²	65.3	9%	0.093	35%	0.352	C	S	.	.	H	α-helix	trans	-61.1	-42.9	175.9	0	0	0	0	0	114.2	L714 R715 N716 I721 I722	L714-G718 PolarHBondContact O-N 3.36Å; R715-G718 PolarHBondContact O-N 2.7Å; N716-G718 VanDerWaalsContact C-N 3.32Å; N716-G718 PolarHBondContact O-N 3.03Å; G718-I721 PolarHBondContact O-N 2.69Å; G718-I722 VanDerWaalsContact O-CG1 3.31Å; G718-I722 WeakPolarHBondContact O-CG1 3.12Å; G718-I722 PolarHBondContact O-N 3.32Å; G718-I722 VanDerWaalsContact O-N 3.1Å
719	Q	60.5	Low	63	Low	136 Å²	136	59.1 Å²	59.1	64%	0.636	32%	0.319	S	S	*	.	H	α-helix	trans	-66.1	-40.7	177.2	-74.6	-171.1	-6.8	0	0	112.4	R715 N716 S717 I721 I722 S723	R715-Q719 PolarHBondContact O-N 3.2Å; N716-Q719 PolarHBondContact O-N 3.21Å; S717-Q719 PolarHBondContact O-N 2.98Å; Q719-I721 VanDerWaalsContact C-N 3.34Å; Q719-I721 PolarHBondContact O-N 3.42Å; Q719-I722 PolarHBondContact O-N 3.49Å; Q719-S723 PolarHBondContact O-N 3.41Å; Q719-S723 VanDerWaalsContact O-N 3.15Å
720	N	69.6	Low	65.9	Low	77 Å²	77	56 Å²	56	41%	0.412	30%	0.296	S	S	.	.	H	α-helix	trans	-61.1	-44.6	175.6	-70.6	-17.7	0	0	0	110.9	N716 S717 I722 S723 Q724	N716-N720 PolarHBondContact O-N 2.93Å; S717-N720 PolarHBondContact O-N 2.8Å; N720-I722 VanDerWaalsContact C-N 3.35Å; N720-I722 PolarHBondContact O-N 3.39Å; N720-S723 PolarHBondContact O-N 2.7Å; N720-S723 PolarHBondContact O-OG 3.42Å; N720-Q724 VanDerWaalsContact O-CD 3.31Å; N720-Q724 VanDerWaalsContact O-CG 3.25Å; N720-Q724 WeakPolarHBondContact O-CG 3.41Å; N720-Q724 PolarHBondContact O-N 3.02Å; N720-Q724 PolarHBondContact O-OE1 3.34Å
721	I	75.5	Confident	68.9	Low	12 Å²	12	54 Å²	54	6%	0.062	28%	0.276	C	S	.	.	H	α-helix	trans	-64.1	-37.9	179.2	-62.3	158.5	0	0	0	112.1	S717 G718 Q719 S723 Q724 A725 L783 W787	S717-I721 WeakPolarHBondContact O-CD1 3.5Å; S717-I721 VanDerWaalsContact O-CG1 3.22Å; S717-I721 WeakPolarHBondContact O-CG1 3.17Å; S717-I721 PolarHBondContact O-N 3.11Å; G718-I721 PolarHBondContact O-N 2.69Å; Q719-I721 VanDerWaalsContact C-N 3.34Å; Q719-I721 PolarHBondContact O-N 3.42Å; I721-S723 PolarHBondContact O-N 3.17Å; I721-Q724 PolarHBondContact O-N 2.8Å; I721-A725 VanDerWaalsContact O-CB 3.31Å; I721-A725 WeakPolarHBondContact O-CB 3.34Å; I721-A725 PolarHBondContact O-N 2.95Å; I721-L783 HydrophobicContact CG2-CD1 4.06Å; I721-L783 HydrophobicContact CG2-CG 4.13Å; I721-W787 HydrophobicContact CB-CG 4.49Å; I721-W787 HydrophobicContact CG2-CB 3.68Å; I721-W787 HydrophobicContact CG2-CG 3.91Å
722	I	78.5	Confident	71.6	Confident	45 Å²	45	49.7 Å²	49.7	23%	0.231	25%	0.249	C	C	.	.	H	α-helix	trans	-61.1	-46.6	175.2	-66.3	162.2	0	0	0	110.2	G718 Q719 N720 Q724 A725 R726 W787	G718-I722 VanDerWaalsContact O-CG1 3.31Å; G718-I722 WeakPolarHBondContact O-CG1 3.12Å; G718-I722 PolarHBondContact O-N 3.32Å; G718-I722 VanDerWaalsContact O-N 3.1Å; Q719-I722 PolarHBondContact O-N 3.49Å; N720-I722 VanDerWaalsContact C-N 3.35Å; N720-I722 PolarHBondContact O-N 3.39Å; I722-Q724 VanDerWaalsContact C-N 3.33Å; I722-Q724 PolarHBondContact O-N 3.44Å; I722-A725 PolarHBondContact O-N 2.85Å; I722-R726 WeakPolarHBondContact O-CB 3.34Å; I722-R726 PolarHBondContact O-N 2.65Å; I722-W787 HydrophobicContact CD1-CZ2 3.85Å; I722-W787 HydrophobicContact CG1-CZ2 3.85Å
723	S	82.6	Confident	74.3	Confident	70 Å²	70	44.8 Å²	44.8	49%	0.49	22%	0.223	S	C	.	.	H	α-helix	trans	-63.8	-37.9	178.8	71.7	0	0	0	0	112.8	Q719 N720 I721 R726 G727	Q719-S723 PolarHBondContact O-N 3.41Å; Q719-S723 VanDerWaalsContact O-N 3.15Å; N720-S723 PolarHBondContact O-N 2.7Å; N720-S723 PolarHBondContact O-OG 3.42Å; I721-S723 PolarHBondContact O-N 3.17Å; S723-R726 WeakPolarHBondContact O-CB 3.49Å; S723-R726 PolarHBondContact O-N 3.02Å; S723-G727 PolarHBondContact O-N 3.27Å
724	Q	86.2	Confident	76.8	Confident	17 Å²	17	41.4 Å²	41.4	8%	0.079	21%	0.205	C	C	.	.	H	α-helix	trans	-69.2	-44.6	177.6	-71.4	158	-21.3	0	0	111.6	I685 T688 V689 N720 I721 I722 R726 G727 L728 L783	I685-Q724 HydrophobicContact CG2-CB 3.64Å; I685-Q724 HydrophobicContact CG2-CG 4.02Å; I685-Q724 WeakPolarHBondContact CG2-O 3.41Å; T688-Q724 PolarHBondContact O-NE2 3.07Å; T688-Q724 PolarHBondContact OG1-NE2 3.4Å; V689-Q724 HydrophobicContact CG2-CB 4.1Å; V689-Q724 HydrophobicContact CG2-CG 4.07Å; V689-Q724 VanDerWaalsContact N-NE2 3.19Å; N720-Q724 VanDerWaalsContact O-CD 3.31Å; N720-Q724 VanDerWaalsContact O-CG 3.25Å; N720-Q724 WeakPolarHBondContact O-CG 3.41Å; N720-Q724 PolarHBondContact O-N 3.02Å; N720-Q724 PolarHBondContact O-OE1 3.34Å; I721-Q724 PolarHBondContact O-N 2.8Å; I722-Q724 VanDerWaalsContact C-N 3.33Å; I722-Q724 PolarHBondContact O-N 3.44Å; Q724-R726 VanDerWaalsContact C-N 3.28Å; Q724-R726 PolarHBondContact O-N 3.47Å; Q724-G727 WeakPolarHBondContact O-CA 3.39Å; Q724-G727 PolarHBondContact O-N 2.92Å; Q724-G727 VanDerWaalsContact O-N 3.1Å; Q724-L728 PolarHBondContact O-N 3.39Å; Q724-L783 HydrophobicContact CB-CD2 4.03Å
725	A	87.2	Confident	79.1	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.6	-38.3	174.3	0	0	0	0	0	111.7	I721 I722 G727 L728 L729 Y780 L783	I721-A725 VanDerWaalsContact O-CB 3.31Å; I721-A725 WeakPolarHBondContact O-CB 3.34Å; I721-A725 PolarHBondContact O-N 2.95Å; I722-A725 PolarHBondContact O-N 2.85Å; A725-G727 VanDerWaalsContact C-N 3.34Å; A725-L728 PolarHBondContact O-N 3.13Å; A725-L729 WeakPolarHBondContact O-CB 3.31Å; A725-L729 PolarHBondContact O-N 3.12Å; A725-Y780 HydrophobicContact CB-CE2 4.22Å; A725-L783 HydrophobicContact CB-CD2 4.39Å
726	R	88.5	Confident	81.1	Confident	105 Å²	105	29.4 Å²	29.4	40%	0.396	16%	0.155	S	C	.	.	H	α-helix	trans	-62.6	-41.8	172.7	-167.2	-177.9	173	143.1	-2.9	111.7	I722 S723 Q724 L729 L730 L841	I722-R726 WeakPolarHBondContact O-CB 3.34Å; I722-R726 PolarHBondContact O-N 2.65Å; S723-R726 WeakPolarHBondContact O-CB 3.49Å; S723-R726 PolarHBondContact O-N 3.02Å; Q724-R726 VanDerWaalsContact C-N 3.28Å; Q724-R726 PolarHBondContact O-N 3.47Å; R726-L729 PolarHBondContact O-N 3.38Å; R726-L730 WeakPolarHBondContact O-CG 3.06Å; R726-L730 PolarHBondContact O-N 3.46Å; R726-L841 HydrophobicContact CG-CD1 3.52Å
727	G	90.2	Very high	83	Confident	8 Å²	8	26.2 Å²	26.2	8%	0.082	14%	0.135	C	C	.	.	H	α-helix	trans	-58.7	-49.4	173.4	0	0	0	0	0	112.5	S723 Q724 A725 L729 L730 V731	S723-G727 PolarHBondContact O-N 3.27Å; Q724-G727 WeakPolarHBondContact O-CA 3.39Å; Q724-G727 PolarHBondContact O-N 2.92Å; Q724-G727 VanDerWaalsContact O-N 3.1Å; A725-G727 VanDerWaalsContact C-N 3.34Å; G727-L729 VanDerWaalsContact C-N 3.27Å; G727-L729 PolarHBondContact O-N 2.93Å; G727-L730 PolarHBondContact O-N 3.33Å; G727-V731 WeakPolarHBondContact O-CG2 3.26Å; G727-V731 PolarHBondContact O-N 2.95Å
728	L	91.5	Very high	84.8	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61	-37.6	176.6	-70.8	178.1	0	0	0	112.3	A682 I685 Q724 A725 V731 L732 Y780 L783	A682-L728 HydrophobicContact CB-CD2 3.63Å; I685-L728 HydrophobicContact CB-CD2 4.2Å; I685-L728 HydrophobicContact CB-CG 4.49Å; I685-L728 HydrophobicContact CD1-CD2 3.95Å; I685-L728 HydrophobicContact CD1-CG 4.28Å; I685-L728 HydrophobicContact CG2-CD2 4.24Å; I685-L728 HydrophobicContact CG2-CG 3.99Å; Q724-L728 PolarHBondContact O-N 3.39Å; A725-L728 PolarHBondContact O-N 3.13Å; L728-V731 PolarHBondContact O-N 3.35Å; L728-L732 WeakPolarHBondContact O-CB 3.36Å; L728-L732 PolarHBondContact O-N 3Å; L728-Y780 HydrophobicContact CB-CD2 4.33Å; L728-L783 HydrophobicContact CD1-CB 4.36Å; L728-L783 HydrophobicContact CD1-CD2 3.73Å
729	L	89.9	Confident	86.4	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-67.7	-38.5	178.5	-171.4	57.2	0	0	0	112.4	A725 R726 G727 L732 N733 Y780 L838 L841 I842	A725-L729 WeakPolarHBondContact O-CB 3.31Å; A725-L729 PolarHBondContact O-N 3.12Å; R726-L729 PolarHBondContact O-N 3.38Å; G727-L729 VanDerWaalsContact C-N 3.27Å; G727-L729 PolarHBondContact O-N 2.93Å; L729-L732 HydrophobicContact CD1-CD2 4.34Å; L729-L732 PolarHBondContact O-N 3.2Å; L729-N733 WeakPolarHBondContact O-CB 3.47Å; L729-N733 PolarHBondContact O-N 3.47Å; L729-Y780 HydrophobicContact CB-CD2 4.23Å; L729-Y780 HydrophobicContact CB-CE2 4.08Å; L729-Y780 HydrophobicContact CD1-CE2 4.41Å; L729-Y780 HydrophobicContact CD2-CE2 4.41Å; L729-L838 HydrophobicContact CD1-CD2 3.72Å; L729-L838 HydrophobicContact CD2-CD2 3.93Å; L729-L841 HydrophobicContact CB-CD1 4.3Å; L729-L841 HydrophobicContact CD2-CB 3.74Å; L729-L841 HydrophobicContact CD2-CD1 3.81Å; L729-L841 HydrophobicContact CD2-CG 4.33Å; L729-L841 HydrophobicContact CG-CB 3.9Å; L729-L841 HydrophobicContact CG-CD1 4.14Å; L729-I842 HydrophobicContact CD1-CD1 3.7Å; L729-I842 HydrophobicContact CD1-CG1 3.68Å; L729-I842 HydrophobicContact CG-CG1 4.41Å
730	L	90.5	Very high	87.6	Confident	7 Å²	7	20.1 Å²	20.1	4%	0.037	11%	0.108	C	C	.	.	H	α-helix	trans	-64.2	-42.8	172	-75.1	167.8	0	0	0	111.6	W610 V612 R726 G727 L732 N733 N734 L841	W610-L730 HydrophobicContact CE3-CD1 4.05Å; W610-L730 HydrophobicContact CZ3-CB 4.24Å; W610-L730 HydrophobicContact CZ3-CD1 4.33Å; V612-L730 HydrophobicContact CG1-CD2 3.79Å; V612-L730 HydrophobicContact CG2-CD1 3.65Å; V612-L730 HydrophobicContact CG2-CD2 3.85Å; V612-L730 HydrophobicContact CG2-CG 4.44Å; R726-L730 WeakPolarHBondContact O-CG 3.06Å; R726-L730 PolarHBondContact O-N 3.46Å; G727-L730 PolarHBondContact O-N 3.33Å; L730-L732 VanDerWaalsContact C-N 3.33Å; L730-L732 PolarHBondContact O-N 3.5Å; L730-N733 PolarHBondContact O-N 2.95Å; L730-N734 WeakPolarHBondContact O-CB 3.08Å; L730-N734 PolarHBondContact O-N 3.29Å; L730-L841 HydrophobicContact CD2-CD1 4.49Å; L730-L841 HydrophobicContact CD2-CD2 3.75Å; L730-L841 HydrophobicContact CG-CD1 4.32Å; L730-L841 HydrophobicContact CG-CD2 4.42Å
731	V	92.7	Very high	88.5	Confident	1 Å²	1	19 Å²	19	1%	0.006	10%	0.1	C	C	.	.	H	α-helix	trans	-61.4	-43.9	175.5	174.2	0	0	0	0	110.6	W610 S678 L681 I685 G727 L728 N734 V735 I776	W610-V731 HydrophobicContact CH2-CG2 3.79Å; W610-V731 HydrophobicContact CZ3-CG2 4.19Å; S678-V731 WeakPolarHBondContact O-CG1 3.2Å; L681-V731 HydrophobicContact CB-CG2 4.17Å; I685-V731 HydrophobicContact CD1-CG2 4.35Å; G727-V731 WeakPolarHBondContact O-CG2 3.26Å; G727-V731 PolarHBondContact O-N 2.95Å; L728-V731 PolarHBondContact O-N 3.35Å; V731-N734 WeakPolarHBondContact O-CB 3.36Å; V731-N734 PolarHBondContact O-N 3.18Å; V731-V735 WeakPolarHBondContact O-CG2 3.41Å; V731-V735 PolarHBondContact O-N 2.64Å; V731-I776 HydrophobicContact CG1-CD1 4.08Å; V731-I776 HydrophobicContact CG1-CG2 4.25Å
732	L	92.1	Very high	89.3	Confident	1 Å²	1	18.4 Å²	18.4	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-60.7	-45.7	175.7	-179.5	61.1	0	0	0	111.8	L728 L729 L730 V735 E736 R773 I776 C777 I871 I876	L728-L732 WeakPolarHBondContact O-CB 3.36Å; L728-L732 PolarHBondContact O-N 3Å; L729-L732 HydrophobicContact CD1-CD2 4.34Å; L729-L732 PolarHBondContact O-N 3.2Å; L730-L732 VanDerWaalsContact C-N 3.33Å; L730-L732 PolarHBondContact O-N 3.5Å; L732-V735 PolarHBondContact O-N 2.93Å; L732-E736 PolarHBondContact O-N 3.19Å; L732-E736 VanDerWaalsContact O-N 3.11Å; L732-R773 HydrophobicContact CD1-CG 4.17Å; L732-I776 HydrophobicContact CB-CG2 3.83Å; L732-I776 HydrophobicContact CD1-CB 4.31Å; L732-I776 HydrophobicContact CD1-CG2 4.21Å; L732-C777 HydrophobicContact CD1-CB 4.24Å; L732-C777 HydrophobicContact CD2-CB 4.31Å; L732-I871 HydrophobicContact CD1-CD1 3.88Å; L732-I871 HydrophobicContact CD2-CD1 4.15Å; L732-I871 HydrophobicContact CG-CD1 3.64Å; L732-I876 HydrophobicContact CD2-CD1 4.45Å
733	N	91	Very high	90.1	Very high	5 Å²	5	16.6 Å²	16.6	3%	0.027	9%	0.088	C	C	.	.	H	α-helix	trans	-69.3	-34.7	179.6	-162.3	54	0	0	0	112.3	D618 G620 L729 L730 E736 W737 L841	D618-N733 PolarHBondContact O-ND2 2.96Å; G620-N733 PolarHBondContact N-ND2 3.03Å; G620-N733 PolarHBondContact O-ND2 2.95Å; L729-N733 WeakPolarHBondContact O-CB 3.47Å; L729-N733 PolarHBondContact O-N 3.47Å; L730-N733 PolarHBondContact O-N 2.95Å; N733-E736 PolarHBondContact O-N 2.97Å; N733-W737 VanDerWaalsContact O-CB 3.26Å; N733-W737 WeakPolarHBondContact O-CB 3.1Å; N733-W737 PolarHBondContact O-N 3.28Å; N733-L841 PolarHBondContact ND2-O 2.85Å
734	N	92.3	Very high	90.5	Very high	3 Å²	3	17.2 Å²	17.2	2%	0.016	8%	0.08	C	C	.	.	H	α-helix	trans	-58.7	-47.2	171.5	-78.8	-13.1	0	0	0	111.5	I621 T622 P625 F674 L730 V731 E736 W737 V738	I621-N734 VanDerWaalsContact CA-OD1 3.3Å; I621-N734 WeakPolarHBondContact CA-OD1 3.35Å; T622-N734 PolarHBondContact N-OD1 2.67Å; T622-N734 PolarHBondContact OG1-ND2 2.91Å; P625-N734 HydrophobicContact CG-CB 3.8Å; F674-N734 HydrophobicContact CZ-CB 4.39Å; L730-N734 WeakPolarHBondContact O-CB 3.08Å; L730-N734 PolarHBondContact O-N 3.29Å; V731-N734 WeakPolarHBondContact O-CB 3.36Å; V731-N734 PolarHBondContact O-N 3.18Å; N734-E736 VanDerWaalsContact C-N 3.31Å; N734-E736 PolarHBondContact O-N 3.16Å; N734-W737 PolarHBondContact O-N 3.27Å; N734-V738 WeakPolarHBondContact O-CB 3.41Å; N734-V738 VanDerWaalsContact O-CG2 3.3Å; N734-V738 WeakPolarHBondContact O-CG2 3.33Å; N734-V738 PolarHBondContact O-N 3.27Å
735	V	92.5	Very high	90.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-59.6	-43.7	177.4	168.5	0	0	0	0	111.2	F674 I675 S678 V731 L732 V738 A739 W769 I776	F674-V735 HydrophobicContact CE1-CG2 4.33Å; I675-V735 HydrophobicContact CD1-CG1 3.63Å; I675-V735 HydrophobicContact CD1-CG2 4.12Å; S678-V735 WeakPolarHBondContact OG-CG2 3.46Å; V731-V735 WeakPolarHBondContact O-CG2 3.41Å; V731-V735 PolarHBondContact O-N 2.64Å; L732-V735 PolarHBondContact O-N 2.93Å; V735-V738 PolarHBondContact O-N 3.36Å; V735-A739 PolarHBondContact O-N 2.83Å; V735-W769 PolarHBondContact O-NE1 3.41Å; V735-I776 HydrophobicContact CG2-CD1 3.72Å
736	E	89.2	Confident	91.3	Very high	6 Å²	6	22.2 Å²	22.2	3%	0.028	10%	0.098	C	C	.	.	H	α-helix	trans	-68.1	-43.6	178.9	176.9	67.2	143.6	0	0	112.9	L732 N733 N734 V738 A739 C740 R773 C869 S870 I871	L732-E736 PolarHBondContact O-N 3.19Å; L732-E736 VanDerWaalsContact O-N 3.11Å; N733-E736 PolarHBondContact O-N 2.97Å; N734-E736 VanDerWaalsContact C-N 3.31Å; N734-E736 PolarHBondContact O-N 3.16Å; E736-V738 VanDerWaalsContact C-N 3.28Å; E736-V738 PolarHBondContact O-N 3.49Å; E736-A739 WeakPolarHBondContact O-CB 3.07Å; E736-A739 PolarHBondContact O-N 3.37Å; E736-A739 VanDerWaalsContact O-N 3.16Å; E736-C740 PolarHBondContact O-N 2.87Å; E736-C740 PolarHBondContact O-SG 3.3Å; E736-C740 VanDerWaalsContact O-SG 3.36Å; E736-R773 IonicContact OE1-CZ 3.92Å; E736-R773 IonicContact OE1-NH1 3.64Å; E736-R773 PolarHBondContact OE1-NH1 3.2Å; E736-R773 IonicContact OE2-CZ 2.98Å; E736-R773 IonicContact OE2-NH1 2.67Å; E736-R773 PolarHBondContact OE2-NH1 3.07Å; E736-R773 IonicContact OE2-NH2 2.88Å; E736-R773 PolarHBondContact OE2-NH2 2.87Å; E736-C869 VanDerWaalsContact OE1-C 3.31Å; E736-C869 WeakPolarHBondContact OE1-CA 3.48Å; E736-C869 PolarHBondContact OE1-SG 3.48Å; E736-S870 PolarHBondContact OE1-N 2.97Å; E736-I871 HydrophobicContact CB-CD1 3.52Å; E736-I871 HydrophobicContact CB-CG1 4.17Å; E736-I871 HydrophobicContact CG-CD1 3.85Å; E736-I871 HydrophobicContact CG-CG1 4.06Å; E736-I871 PolarHBondContact OE1-N 2.89Å
737	W	89.7	Confident	91.6	Very high	28 Å²	28	18.2 Å²	18.2	11%	0.106	9%	0.085	C	C	.	.	H	α-helix	trans	-61.8	-41.9	178.2	-172.1	98.2	0	0	0	110.7	I621 P625 L626 N733 N734 A739 C740 H741 A742	I621-W737 HydrophobicContact CD1-CD2 4.19Å; I621-W737 HydrophobicContact CD1-CZ2 4.18Å; I621-W737 HydrophobicContact CG2-CB 3.73Å; I621-W737 HydrophobicContact CG2-CD2 4.32Å; I621-W737 HydrophobicContact CG2-CG 3.64Å; P625-W737 HydrophobicContact CB-CD2 4.46Å; P625-W737 HydrophobicContact CB-CE3 3.49Å; P625-W737 VanDerWaalsContact CB-CE3 3.49Å; P625-W737 HydrophobicContact CB-CZ3 3.63Å; P625-W737 HydrophobicContact CG-CE3 4.37Å; L626-W737 HydrophobicContact CD2-CH2 3.69Å; L626-W737 HydrophobicContact CD2-CZ2 4.45Å; L626-W737 HydrophobicContact CD2-CZ3 4.31Å; N733-W737 VanDerWaalsContact O-CB 3.26Å; N733-W737 WeakPolarHBondContact O-CB 3.1Å; N733-W737 PolarHBondContact O-N 3.28Å; N734-W737 PolarHBondContact O-N 3.27Å; W737-A739 VanDerWaalsContact C-N 3.35Å; W737-C740 PolarHBondContact O-N 3.08Å; W737-H741 AromaticContact CD1-CE1 3.93Å; W737-H741 AromaticContact CD1-ND1 3.49Å; W737-H741 HydrophobicContact CD2-CB 4.13Å; W737-H741 AromaticContact CD2-ND1 3.92Å; W737-H741 AromaticContact CE2-CG 3.98Å; W737-H741 AromaticContact CE2-ND1 3.81Å; W737-H741 HydrophobicContact CE3-CB 4.3Å; W737-H741 AromaticContact CG-ND1 3.74Å; W737-H741 HydrophobicContact CH2-CB 4.17Å; W737-H741 HydrophobicContact CZ2-CB 3.97Å; W737-H741 HydrophobicContact CZ3-CB 4.33Å; W737-H741 AromaticContact NE1-CE1 3.97Å; W737-H741 AromaticContact NE1-ND1 3.5Å; W737-H741 WeakPolarHBondContact O-CB 3.45Å; W737-H741 PolarHBondContact O-N 3.49Å; W737-H741 PolarHBondContact O-ND1 2.88Å; W737-A742 HydrophobicContact CZ3-CB 4.01Å
738	V	93.1	Very high	91.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.097	C	C	.	.	I	π-helix	trans	-60.4	-45.1	173.9	167.4	0	0	0	0	110.8	P625 Y628 F674 N734 V735 E736 C740 A742 N743 W769	P625-V738 HydrophobicContact CB-CG2 3.55Å; P625-V738 HydrophobicContact CG-CG2 4.02Å; Y628-V738 HydrophobicContact CD1-CG1 3.89Å; Y628-V738 HydrophobicContact CD1-CG2 4.19Å; Y628-V738 HydrophobicContact CE1-CG1 3.51Å; F674-V738 HydrophobicContact CD1-CB 4.36Å; F674-V738 HydrophobicContact CD1-CG1 4.24Å; F674-V738 HydrophobicContact CD1-CG2 4.09Å; F674-V738 HydrophobicContact CE1-CB 4.12Å; F674-V738 HydrophobicContact CE1-CG1 4.48Å; F674-V738 HydrophobicContact CE1-CG2 3.56Å; F674-V738 HydrophobicContact CE2-CG2 4.43Å; F674-V738 HydrophobicContact CZ-CG2 3.75Å; N734-V738 WeakPolarHBondContact O-CB 3.41Å; N734-V738 VanDerWaalsContact O-CG2 3.3Å; N734-V738 WeakPolarHBondContact O-CG2 3.33Å; N734-V738 PolarHBondContact O-N 3.27Å; V735-V738 PolarHBondContact O-N 3.36Å; E736-V738 VanDerWaalsContact C-N 3.28Å; E736-V738 PolarHBondContact O-N 3.49Å; V738-C740 VanDerWaalsContact C-N 3.33Å; V738-C740 PolarHBondContact O-N 3.01Å; V738-A742 HydrophobicContact CB-CB 4.38Å; V738-A742 HydrophobicContact CG1-CB 4.16Å; V738-A742 HydrophobicContact CG2-CB 4.36Å; V738-A742 PolarHBondContact O-N 3.35Å; V738-N743 WeakPolarHBondContact CG1-OD1 3.48Å; V738-N743 WeakPolarHBondContact O-CB 3.49Å; V738-N743 PolarHBondContact O-N 2.91Å; V738-W769 HydrophobicContact CG1-CZ2 3.65Å
739	A	90.4	Very high	91.8	Very high	23 Å²	23	23.1 Å²	23.1	19%	0.19	11%	0.109	C	C	.	.	I	π-helix	trans	-57.9	-45.7	177.6	0	0	0	0	0	112.1	V735 E736 W737 W769	V735-A739 PolarHBondContact O-N 2.83Å; E736-A739 WeakPolarHBondContact O-CB 3.07Å; E736-A739 PolarHBondContact O-N 3.37Å; E736-A739 VanDerWaalsContact O-N 3.16Å; W737-A739 VanDerWaalsContact C-N 3.35Å; A739-W769 VanDerWaalsContact CB-CD1 3.49Å; A739-W769 HydrophobicContact CB-CG 4.25Å
740	C	86.5	Confident	92	Very high	15 Å²	15	23.1 Å²	23.1	10%	0.101	11%	0.109	C	C	.	.	I	π-helix	trans	-81	-34.3	-172.8	-64.6	0	0	0	0	113.6	E736 W737 V738 Y744 P867	E736-C740 PolarHBondContact O-N 2.87Å; E736-C740 PolarHBondContact O-SG 3.3Å; E736-C740 VanDerWaalsContact O-SG 3.36Å; W737-C740 PolarHBondContact O-N 3.08Å; V738-C740 VanDerWaalsContact C-N 3.33Å; V738-C740 PolarHBondContact O-N 3.01Å; C740-Y744 WeakPolarHBondContact O-CB 3.37Å; C740-P867 HydrophobicContact CB-CB 4.36Å; C740-P867 HydrophobicContact CB-CG 4.07Å; C740-P867 WeakPolarHBondContact O-CG 3.5Å
741	H	89.4	Confident	92.1	Very high	52 Å²	52	29.4 Å²	29.4	24%	0.241	14%	0.136	C	C	.	.	I	π-helix	trans	-114.6	-63.2	-170.3	-57	96	0	0	0	111.6	D618 W737 Y744 R745	D618-H741 IonicContact OD1-CE1 3.2Å; D618-H741 PolarHBondContact OD1-CE1 2.87Å; D618-H741 IonicContact OD1-NE2 3.15Å; W737-H741 AromaticContact CD1-CE1 3.93Å; W737-H741 AromaticContact CD1-ND1 3.49Å; W737-H741 HydrophobicContact CD2-CB 4.13Å; W737-H741 AromaticContact CD2-ND1 3.92Å; W737-H741 AromaticContact CE2-CG 3.98Å; W737-H741 AromaticContact CE2-ND1 3.81Å; W737-H741 HydrophobicContact CE3-CB 4.3Å; W737-H741 AromaticContact CG-ND1 3.74Å; W737-H741 HydrophobicContact CH2-CB 4.17Å; W737-H741 HydrophobicContact CZ2-CB 3.97Å; W737-H741 HydrophobicContact CZ3-CB 4.33Å; W737-H741 AromaticContact NE1-CE1 3.97Å; W737-H741 AromaticContact NE1-ND1 3.5Å; W737-H741 WeakPolarHBondContact O-CB 3.45Å; W737-H741 PolarHBondContact O-N 3.49Å; W737-H741 PolarHBondContact O-ND1 2.88Å; H741-Y744 PolarHBondContact O-N 3.41Å; H741-R745 WeakPolarHBondContact O-CG 3.33Å; H741-R745 PolarHBondContact O-N 3Å
742	A	92	Very high	92.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.166	C	C	.	.	I	π-helix	trans	-62.2	-54.5	-175.2	0	0	0	0	0	111.6	Y628 E629 W737 V738 Y744 R745 L746	Y628-A742 HydrophobicContact CD1-CB 4.31Å; Y628-A742 HydrophobicContact CE1-CB 4.28Å; E629-A742 HydrophobicContact CB-CB 4.07Å; E629-A742 HydrophobicContact CG-CB 4.23Å; W737-A742 HydrophobicContact CZ3-CB 4.01Å; V738-A742 HydrophobicContact CB-CB 4.38Å; V738-A742 HydrophobicContact CG1-CB 4.16Å; V738-A742 HydrophobicContact CG2-CB 4.36Å; V738-A742 PolarHBondContact O-N 3.35Å; A742-Y744 VanDerWaalsContact C-N 3.27Å; A742-Y744 PolarHBondContact O-N 3.34Å; A742-R745 PolarHBondContact O-N 2.88Å; A742-L746 WeakPolarHBondContact O-CB 3.36Å; A742-L746 VanDerWaalsContact O-CG 3.23Å; A742-L746 WeakPolarHBondContact O-CG 3.32Å; A742-L746 PolarHBondContact O-N 3Å
743	N	94.2	Very high	92	Very high	8 Å²	8	34.9 Å²	34.9	4%	0.043	17%	0.172	C	C	.	.	H	α-helix	trans	-59.8	-37.8	179.4	-75.1	-0.8	0	0	0	112.1	Y628 M671 V738 L746 L747 W769	Y628-N743 PolarHBondContact OH-OD1 2.88Å; Y628-N743 VanDerWaalsContact OH-OD1 3.1Å; M671-N743 HydrophobicContact CE-CB 4.28Å; M671-N743 VanDerWaalsContact CE-OD1 3.29Å; M671-N743 WeakPolarHBondContact CE-OD1 3.49Å; V738-N743 WeakPolarHBondContact CG1-OD1 3.48Å; V738-N743 WeakPolarHBondContact O-CB 3.49Å; V738-N743 PolarHBondContact O-N 2.91Å; N743-L746 PolarHBondContact O-N 3.34Å; N743-L747 VanDerWaalsContact O-CB 3.25Å; N743-L747 WeakPolarHBondContact O-CB 3.47Å; N743-L747 WeakPolarHBondContact O-CG 3.41Å; N743-L747 PolarHBondContact O-N 3.14Å; N743-W769 WeakPolarHBondContact ND2-CZ2 3.5Å
744	Y	90.9	Very high	91.7	Very high	82 Å²	82	36.9 Å²	36.9	32%	0.322	19%	0.194	S	C	.	.	H	α-helix	trans	-61.4	-46.6	174.5	177.5	-99.6	0	0	0	111.9	C740 H741 A742 N748	C740-Y744 WeakPolarHBondContact O-CB 3.37Å; H741-Y744 PolarHBondContact O-N 3.41Å; A742-Y744 VanDerWaalsContact C-N 3.27Å; A742-Y744 PolarHBondContact O-N 3.34Å; Y744-N748 WeakPolarHBondContact CE1-ND2 2.91Å; Y744-N748 WeakPolarHBondContact O-CB 3.36Å; Y744-N748 PolarHBondContact O-N 3.01Å; Y744-N748 PolarHBondContact O-ND2 3.2Å
745	R	94.8	Very high	91.6	Very high	120 Å²	120	37.1 Å²	37.1	45%	0.453	20%	0.195	S	C	.	.	H	α-helix	trans	-66.4	-41.9	176.9	-71.1	-168.8	-68.5	-162.8	-1.3	112	E629 H741 A742 N748 L749	E629-R745 VanDerWaalsContact CD-NH2 3.3Å; E629-R745 IonicContact OE1-CZ 3.97Å; E629-R745 IonicContact OE1-NE 4Å; E629-R745 PolarHBondContact OE1-NE 3.37Å; E629-R745 IonicContact OE1-NH2 2.8Å; E629-R745 PolarHBondContact OE1-NH2 3.48Å; E629-R745 IonicContact OE2-CZ 3.63Å; E629-R745 IonicContact OE2-NE 3.94Å; E629-R745 IonicContact OE2-NH2 3.66Å; E629-R745 PolarHBondContact OE2-NH2 3.47Å; H741-R745 WeakPolarHBondContact O-CG 3.33Å; H741-R745 PolarHBondContact O-N 3Å; A742-R745 PolarHBondContact O-N 2.88Å; R745-N748 PolarHBondContact O-N 3.49Å; R745-L749 WeakPolarHBondContact O-CB 3.26Å; R745-L749 PolarHBondContact O-N 3.35Å
746	L	95.8	Very high	91.4	Very high	2 Å²	2	39 Å²	39	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-64.9	-41	177.8	-69.9	174.1	0	0	0	112.2	Y628 E629 I632 A633 F636 M671 A742 N743 L749 Y750	Y628-L746 HydrophobicContact CD1-CD1 4.48Å; Y628-L746 HydrophobicContact CE1-CD1 3.67Å; E629-L746 HydrophobicContact CG-CD2 4.14Å; E629-L746 HydrophobicContact CG-CG 4.24Å; I632-L746 HydrophobicContact CB-CD1 3.84Å; I632-L746 HydrophobicContact CB-CD2 3.96Å; I632-L746 HydrophobicContact CG1-CD1 4.36Å; I632-L746 HydrophobicContact CG2-CD1 3.84Å; I632-L746 HydrophobicContact CG2-CD2 3.86Å; I632-L746 HydrophobicContact CG2-CG 4.31Å; A633-L746 HydrophobicContact CB-CD2 3.98Å; F636-L746 HydrophobicContact CE2-CB 4.18Å; F636-L746 HydrophobicContact CE2-CD2 4.44Å; M671-L746 HydrophobicContact CE-CB 4.1Å; M671-L746 HydrophobicContact CE-CD1 3.96Å; A742-L746 WeakPolarHBondContact O-CB 3.36Å; A742-L746 VanDerWaalsContact O-CG 3.23Å; A742-L746 WeakPolarHBondContact O-CG 3.32Å; A742-L746 PolarHBondContact O-N 3Å; N743-L746 PolarHBondContact O-N 3.34Å; L746-L749 PolarHBondContact O-N 3.22Å; L746-Y750 VanDerWaalsContact O-CB 3.27Å; L746-Y750 WeakPolarHBondContact O-CB 3.3Å; L746-Y750 PolarHBondContact O-N 2.87Å
747	L	94.1	Very high	91.4	Very high	21 Å²	21	40.9 Å²	40.9	11%	0.11	22%	0.222	C	C	.	.	H	α-helix	trans	-66.4	-38	174.3	-74.7	169.7	0	0	0	111.9	N743 K751 V758 L761 K762 L765	N743-L747 VanDerWaalsContact O-CB 3.25Å; N743-L747 WeakPolarHBondContact O-CB 3.47Å; N743-L747 WeakPolarHBondContact O-CG 3.41Å; N743-L747 PolarHBondContact O-N 3.14Å; L747-K751 WeakPolarHBondContact O-CB 3.01Å; L747-K751 PolarHBondContact O-N 3.06Å; L747-V758 HydrophobicContact CD2-CG1 4.31Å; L747-L761 HydrophobicContact CD2-CD2 3.85Å; L747-L761 HydrophobicContact CD2-CG 3.96Å; L747-K762 HydrophobicContact CD1-CB 4.12Å; L747-K762 HydrophobicContact CD1-CD 4.47Å; L747-K762 HydrophobicContact CD1-CG 4.02Å; L747-K762 HydrophobicContact CD2-CB 4.42Å; L747-L765 HydrophobicContact CD1-CD1 4.38Å; L747-L765 HydrophobicContact CD2-CD1 4.06Å; L747-L765 HydrophobicContact CG-CD1 4.34Å
748	N	93.6	Very high	91.4	Very high	65 Å²	65	41 Å²	41	35%	0.348	23%	0.226	S	C	.	.	H	α-helix	trans	-66.9	-40.2	173.4	-75.9	-28.1	0	0	0	111.9	Y744 R745 K751 S752	Y744-N748 WeakPolarHBondContact CE1-ND2 2.91Å; Y744-N748 WeakPolarHBondContact O-CB 3.36Å; Y744-N748 PolarHBondContact O-N 3.01Å; Y744-N748 PolarHBondContact O-ND2 3.2Å; R745-N748 PolarHBondContact O-N 3.49Å; N748-K751 PolarHBondContact O-N 2.98Å; N748-S752 WeakPolarHBondContact O-CB 3.4Å; N748-S752 PolarHBondContact O-N 2.91Å; N748-S752 PolarHBondContact O-OG 3.35Å
749	L	94.2	Very high	91.3	Very high	46 Å²	46	47.3 Å²	47.3	24%	0.241	26%	0.26	C	S	.	.	H	α-helix	trans	-61.5	-50.3	173.7	177.7	61.1	0	0	0	110.5	A633 F636 R745 L746 K751 S752 L753	A633-L749 HydrophobicContact CB-CD2 3.79Å; F636-L749 HydrophobicContact CB-CD2 4.44Å; F636-L749 HydrophobicContact CD2-CD2 4.28Å; F636-L749 HydrophobicContact CD2-CG 4.5Å; R745-L749 WeakPolarHBondContact O-CB 3.26Å; R745-L749 PolarHBondContact O-N 3.35Å; L746-L749 PolarHBondContact O-N 3.22Å; L749-K751 VanDerWaalsContact C-N 3.27Å; L749-K751 PolarHBondContact O-N 2.88Å; L749-S752 WeakPolarHBondContact CA-OG 3.38Å; L749-S752 PolarHBondContact O-N 3.41Å; L749-S752 PolarHBondContact O-OG 3.46Å; L749-L753 HydrophobicContact CD1-CD1 4.14Å; L749-L753 HydrophobicContact CD1-CG 4.21Å; L749-L753 HydrophobicContact CG-CD1 4.12Å; L749-L753 WeakPolarHBondContact O-CG 3.47Å; L749-L753 PolarHBondContact O-N 2.78Å
750	Y	93.7	Very high	91.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-52.8	-44.9	175.5	-175.2	-81.2	0	0	0	112	F636 F663 L746 Y755 V756 V758 L761	F636-Y750 HydrophobicContact CD1-CD2 4.2Å; F636-Y750 AromaticContact CE1-CD2 3.67Å; F636-Y750 HydrophobicContact CE1-CD2 3.67Å; F636-Y750 HydrophobicContact CE1-CE2 4.19Å; F636-Y750 HydrophobicContact CE2-CD2 4.08Å; F636-Y750 AromaticContact CZ-CD2 3.61Å; F636-Y750 HydrophobicContact CZ-CD2 3.61Å; F636-Y750 HydrophobicContact CZ-CE2 4.41Å; F636-Y750 HydrophobicContact CZ-CG 4.47Å; F663-Y750 AromaticContact CD1-CE2 3.97Å; F663-Y750 HydrophobicContact CD1-CE2 3.97Å; F663-Y750 WeakPolarHBondContact CD1-OH 3.32Å; F663-Y750 HydrophobicContact CE1-CD2 4.48Å; F663-Y750 AromaticContact CE1-CE2 3.56Å; F663-Y750 HydrophobicContact CE1-CE2 3.56Å; F663-Y750 AromaticContact CE1-CZ 3.93Å; L746-Y750 VanDerWaalsContact O-CB 3.27Å; L746-Y750 WeakPolarHBondContact O-CB 3.3Å; L746-Y750 PolarHBondContact O-N 2.87Å; Y750-Y755 HydrophobicContact CD1-CD2 4.42Å; Y750-Y755 AromaticContact CD2-CD2 3.63Å; Y750-Y755 HydrophobicContact CD2-CD2 3.63Å; Y750-Y755 HydrophobicContact CD2-CG 4.39Å; Y750-Y755 HydrophobicContact CE1-CG 4.48Å; Y750-Y755 AromaticContact CE2-CD2 3.87Å; Y750-Y755 HydrophobicContact CE2-CD2 3.87Å; Y750-Y755 HydrophobicContact CE2-CG 4.32Å; Y750-Y755 AromaticContact CG-CD2 3.94Å; Y750-Y755 HydrophobicContact CG-CD2 3.94Å; Y750-Y755 VanDerWaalsContact CZ-CB 3.47Å; Y750-Y755 PolarHBondContact O-N 2.75Å; Y750-V756 WeakPolarHBondContact CE1-O 3.12Å; Y750-V756 PolarHBondContact OH-O 2.82Å; Y750-V758 HydrophobicContact CD1-CB 4.45Å; Y750-V758 HydrophobicContact CD1-CG1 4.37Å; Y750-V758 HydrophobicContact CD1-CG2 3.83Å; Y750-V758 HydrophobicContact CE1-CG2 3.96Å; Y750-L761 HydrophobicContact CD1-CD2 4.48Å; Y750-L761 HydrophobicContact CD2-CD2 3.93Å; Y750-L761 HydrophobicContact CE1-CD2 4.39Å; Y750-L761 HydrophobicContact CE2-CD2 3.79Å; Y750-L761 HydrophobicContact CG-CD2 4.27Å
751	K	92.7	Very high	91.6	Very high	140 Å²	140	50.7 Å²	50.7	61%	0.609	27%	0.266	S	S	*	.	H	α-helix	trans	-66.9	-41.1	175.6	-174.6	177.7	178.4	-179.1	0	112.5	L747 N748 L749 L753 G754 V758	L747-K751 WeakPolarHBondContact O-CB 3.01Å; L747-K751 PolarHBondContact O-N 3.06Å; N748-K751 PolarHBondContact O-N 2.98Å; L749-K751 VanDerWaalsContact C-N 3.27Å; L749-K751 PolarHBondContact O-N 2.88Å; K751-L753 VanDerWaalsContact C-N 3.3Å; K751-L753 PolarHBondContact O-N 2.67Å; K751-G754 PolarHBondContact O-N 3.11Å; K751-G754 VanDerWaalsContact O-N 3.07Å; K751-V758 HydrophobicContact CB-CG1 4.44Å; K751-V758 HydrophobicContact CB-CG2 4.19Å; K751-V758 HydrophobicContact CG-CG2 4.38Å
752	S	92.3	Very high	91.8	Very high	90 Å²	90	52.7 Å²	52.7	63%	0.629	27%	0.274	S	S	*	.	H	α-helix	trans	-66.5	-31.5	-179.5	73.8	0	0	0	0	113	N748 L749 G754	N748-S752 WeakPolarHBondContact O-CB 3.4Å; N748-S752 PolarHBondContact O-N 2.91Å; N748-S752 PolarHBondContact O-OG 3.35Å; L749-S752 WeakPolarHBondContact CA-OG 3.38Å; L749-S752 PolarHBondContact O-N 3.41Å; L749-S752 PolarHBondContact O-OG 3.46Å; S752-G754 PolarHBondContact O-N 2.88Å
753	L	89.8	Confident	91.8	Very high	26 Å²	26	55.4 Å²	55.4	14%	0.136	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-4.5	173.9	-65.6	171.9	0	0	0	112.8	F636 F644 L749 K751 Y755	F636-L753 HydrophobicContact CB-CD1 3.83Å; F644-L753 WeakPolarHBondContact CZ-O 3.47Å; L749-L753 HydrophobicContact CD1-CD1 4.14Å; L749-L753 HydrophobicContact CD1-CG 4.21Å; L749-L753 HydrophobicContact CG-CD1 4.12Å; L749-L753 WeakPolarHBondContact O-CG 3.47Å; L749-L753 PolarHBondContact O-N 2.78Å; K751-L753 VanDerWaalsContact C-N 3.3Å; K751-L753 PolarHBondContact O-N 2.67Å; L753-Y755 HydrophobicContact CB-CD1 4.39Å; L753-Y755 HydrophobicContact CB-CD2 4.11Å; L753-Y755 HydrophobicContact CB-CE1 4.14Å; L753-Y755 HydrophobicContact CB-CE2 3.83Å; L753-Y755 HydrophobicContact CB-CG 4.4Å; L753-Y755 HydrophobicContact CD1-CD2 4.46Å; L753-Y755 HydrophobicContact CD1-CE2 3.63Å; L753-Y755 HydrophobicContact CG-CE2 4.4Å
754	G	85.8	Confident	91.7	Very high	47 Å²	47	57.7 Å²	57.7	49%	0.485	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	25	176.6	0	0	0	0	0	114.4	K751 S752	K751-G754 PolarHBondContact O-N 3.11Å; K751-G754 VanDerWaalsContact O-N 3.07Å; S752-G754 PolarHBondContact O-N 2.88Å
755	Y	89.9	Confident	91.9	Very high	9 Å²	9	53.9 Å²	53.9	4%	0.035	30%	0.296	C	S	.	.			trans	-76.7	149.6	176.9	-59.2	-27.9	0	0	0	112.5	F636 E640 V643 F644 F654 F663 Y750 L753	F636-Y755 HydrophobicContact CB-CE2 4.24Å; F636-Y755 HydrophobicContact CD1-CE2 4.44Å; F636-Y755 PolarHBondContact O-OH 3.24Å; E640-Y755 WeakPolarHBondContact CA-OH 3.48Å; E640-Y755 PolarHBondContact N-OH 3.38Å; V643-Y755 HydrophobicContact CB-CE1 4.34Å; V643-Y755 HydrophobicContact CG1-CE1 4.26Å; V643-Y755 HydrophobicContact CG2-CE1 4.07Å; F644-Y755 HydrophobicContact CE2-CE1 4.45Å; F654-Y755 AromaticContact CE2-CD1 3.81Å; F654-Y755 HydrophobicContact CE2-CD1 3.81Å; F654-Y755 AromaticContact CZ-CD1 3.82Å; F654-Y755 HydrophobicContact CZ-CD1 3.82Å; F654-Y755 HydrophobicContact CZ-CG 4.4Å; F663-Y755 HydrophobicContact CE1-CD1 4.27Å; F663-Y755 AromaticContact CE1-CD2 3.72Å; F663-Y755 HydrophobicContact CE1-CD2 3.72Å; F663-Y755 HydrophobicContact CE1-CE2 4.21Å; F663-Y755 AromaticContact CE1-CG 3.75Å; F663-Y755 HydrophobicContact CE1-CG 3.75Å; F663-Y755 HydrophobicContact CZ-CD1 4.14Å; F663-Y755 AromaticContact CZ-CD2 3.92Å; F663-Y755 HydrophobicContact CZ-CD2 3.92Å; F663-Y755 HydrophobicContact CZ-CE1 4.15Å; F663-Y755 AromaticContact CZ-CE2 3.95Å; F663-Y755 HydrophobicContact CZ-CE2 3.95Å; F663-Y755 HydrophobicContact CZ-CG 4.02Å; Y750-Y755 HydrophobicContact CD1-CD2 4.42Å; Y750-Y755 AromaticContact CD2-CD2 3.63Å; Y750-Y755 HydrophobicContact CD2-CD2 3.63Å; Y750-Y755 HydrophobicContact CD2-CG 4.39Å; Y750-Y755 HydrophobicContact CE1-CG 4.48Å; Y750-Y755 AromaticContact CE2-CD2 3.87Å; Y750-Y755 HydrophobicContact CE2-CD2 3.87Å; Y750-Y755 HydrophobicContact CE2-CG 4.32Å; Y750-Y755 AromaticContact CG-CD2 3.94Å; Y750-Y755 HydrophobicContact CG-CD2 3.94Å; Y750-Y755 VanDerWaalsContact CZ-CB 3.47Å; Y750-Y755 PolarHBondContact O-N 2.75Å; L753-Y755 HydrophobicContact CB-CD1 4.39Å; L753-Y755 HydrophobicContact CB-CD2 4.11Å; L753-Y755 HydrophobicContact CB-CE1 4.14Å; L753-Y755 HydrophobicContact CB-CE2 3.83Å; L753-Y755 HydrophobicContact CB-CG 4.4Å; L753-Y755 HydrophobicContact CD1-CD2 4.46Å; L753-Y755 HydrophobicContact CD1-CE2 3.63Å; L753-Y755 HydrophobicContact CG-CE2 4.4Å
756	V	88.2	Confident	91.7	Very high	39 Å²	39	52.7 Å²	52.7	24%	0.236	30%	0.298	C	S	.	.	S	Bend	trans	-82	156.9	-172.7	-77.8	0	0	0	0	113.5	F654 Q660 Y750 V758	F654-V756 HydrophobicContact CB-CG1 4.45Å; F654-V756 HydrophobicContact CD1-CG2 3.51Å; F654-V756 HydrophobicContact CD2-CG1 4.42Å; F654-V756 HydrophobicContact CD2-CG2 4.39Å; F654-V756 HydrophobicContact CE1-CG2 3.59Å; F654-V756 HydrophobicContact CE2-CG2 4.42Å; F654-V756 HydrophobicContact CG-CG1 4.3Å; F654-V756 HydrophobicContact CG-CG2 3.95Å; F654-V756 HydrophobicContact CZ-CG2 4.06Å; Q660-V756 HydrophobicContact CB-CG2 4.28Å; Q660-V756 HydrophobicContact CG-CG2 4.28Å; Y750-V756 WeakPolarHBondContact CE1-O 3.12Å; Y750-V756 PolarHBondContact OH-O 2.82Å; V756-V758 PolarHBondContact O-N 3.29Å
757	A	87.8	Confident	91.5	Very high	45 Å²	45	59.4 Å²	59.4	37%	0.372	33%	0.329	S	S	.	.			trans	58.1	40.3	171.3	0	0	0	0	0	116.3	P664 D759 R760 L761	P664-A757 HydrophobicContact CG-CB 4.18Å; A757-D759 VanDerWaalsContact C-N 3.26Å; A757-D759 PolarHBondContact O-N 2.93Å; A757-R760 HydrophobicContact CB-CB 4.18Å; A757-R760 PolarHBondContact O-N 2.92Å; A757-R760 VanDerWaalsContact O-N 3.1Å; A757-L761 PolarHBondContact O-N 2.92Å; A757-L761 VanDerWaalsContact O-N 3.14Å
758	V	89.5	Confident	91.5	Very high	32 Å²	32	59.5 Å²	59.5	19%	0.194	33%	0.333	C	S	.	.	H	α-helix	trans	-53.4	-41.4	177.3	-167.4	0	0	0	0	112.6	L747 Y750 K751 V756 R760 L761 K762	L747-V758 HydrophobicContact CD2-CG1 4.31Å; Y750-V758 HydrophobicContact CD1-CB 4.45Å; Y750-V758 HydrophobicContact CD1-CG1 4.37Å; Y750-V758 HydrophobicContact CD1-CG2 3.83Å; Y750-V758 HydrophobicContact CE1-CG2 3.96Å; K751-V758 HydrophobicContact CB-CG1 4.44Å; K751-V758 HydrophobicContact CB-CG2 4.19Å; K751-V758 HydrophobicContact CG-CG2 4.38Å; V756-V758 PolarHBondContact O-N 3.29Å; V758-R760 VanDerWaalsContact C-N 3.34Å; V758-R760 PolarHBondContact O-N 3.07Å; V758-L761 PolarHBondContact O-N 2.76Å; V758-K762 WeakPolarHBondContact O-CB 3.37Å; V758-K762 PolarHBondContact O-N 2.98Å
759	D	91.4	Very high	91.5	Very high	131 Å²	131	56.6 Å²	56.6	70%	0.701	32%	0.318	S	S	*	.	H	α-helix	trans	-67.5	-34.1	-178.5	-62.3	-44.1	0	0	0	112.4	A757 A763	A757-D759 VanDerWaalsContact C-N 3.26Å; A757-D759 PolarHBondContact O-N 2.93Å; D759-A763 WeakPolarHBondContact O-CB 3.49Å; D759-A763 PolarHBondContact O-N 3.48Å
760	R	91.1	Very high	91.3	Very high	108 Å²	108	57.6 Å²	57.6	41%	0.408	32%	0.323	S	S	.	.	H	α-helix	trans	-68.3	-47.7	175.6	-177.9	-178.8	174	-165.4	-8.1	110.4	E665 A757 V758 K762 A763 T764	E665-R760 IonicContact OE1-CZ 3.2Å; E665-R760 IonicContact OE1-NH1 3.52Å; E665-R760 IonicContact OE1-NH2 3.79Å; E665-R760 PolarHBondContact OE1-NH2 3.49Å; A757-R760 HydrophobicContact CB-CB 4.18Å; A757-R760 PolarHBondContact O-N 2.92Å; A757-R760 VanDerWaalsContact O-N 3.1Å; V758-R760 VanDerWaalsContact C-N 3.34Å; V758-R760 PolarHBondContact O-N 3.07Å; R760-K762 VanDerWaalsContact C-N 3.3Å; R760-K762 PolarHBondContact O-N 3.24Å; R760-A763 PolarHBondContact O-N 2.98Å; R760-T764 WeakPolarHBondContact O-CG2 3.29Å; R760-T764 PolarHBondContact O-N 2.92Å; R760-T764 PolarHBondContact O-OG1 2.93Å
761	L	93.3	Very high	91.2	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.005	35%	0.347	C	S	.	.	H	α-helix	trans	-57	-48.4	175.2	175.2	59.8	0	0	0	110.1	P664 M671 L747 Y750 A757 V758 A763 T764 L765	P664-L761 HydrophobicContact CB-CB 4.3Å; M671-L761 HydrophobicContact SD-CD2 4.46Å; L747-L761 HydrophobicContact CD2-CD2 3.85Å; L747-L761 HydrophobicContact CD2-CG 3.96Å; Y750-L761 HydrophobicContact CD1-CD2 4.48Å; Y750-L761 HydrophobicContact CD2-CD2 3.93Å; Y750-L761 HydrophobicContact CE1-CD2 4.39Å; Y750-L761 HydrophobicContact CE2-CD2 3.79Å; Y750-L761 HydrophobicContact CG-CD2 4.27Å; A757-L761 PolarHBondContact O-N 2.92Å; A757-L761 VanDerWaalsContact O-N 3.14Å; V758-L761 PolarHBondContact O-N 2.76Å; L761-A763 PolarHBondContact O-N 3.35Å; L761-T764 WeakPolarHBondContact CA-OG1 3.25Å; L761-T764 PolarHBondContact O-N 3.18Å; L761-T764 PolarHBondContact O-OG1 3.22Å; L761-L765 HydrophobicContact CD1-CD1 4.05Å; L761-L765 HydrophobicContact CD1-CD2 4.41Å; L761-L765 HydrophobicContact CD1-CG 4.06Å; L761-L765 HydrophobicContact CG-CD1 3.97Å; L761-L765 HydrophobicContact CG-CG 4.4Å; L761-L765 VanDerWaalsContact O-CG 3.28Å; L761-L765 WeakPolarHBondContact O-CG 3.38Å; L761-L765 PolarHBondContact O-N 3.37Å
762	K	92.7	Very high	91.1	Very high	95 Å²	95	56.1 Å²	56.1	41%	0.413	32%	0.319	S	S	.	.	H	α-helix	trans	-55.1	-48.9	176.4	-176.5	178.3	177.5	-178.2	0	112.2	L747 V758 R760 T764 L765 D766	L747-K762 HydrophobicContact CD1-CB 4.12Å; L747-K762 HydrophobicContact CD1-CD 4.47Å; L747-K762 HydrophobicContact CD1-CG 4.02Å; L747-K762 HydrophobicContact CD2-CB 4.42Å; V758-K762 WeakPolarHBondContact O-CB 3.37Å; V758-K762 PolarHBondContact O-N 2.98Å; R760-K762 VanDerWaalsContact C-N 3.3Å; R760-K762 PolarHBondContact O-N 3.24Å; K762-T764 VanDerWaalsContact C-N 3.34Å; K762-T764 PolarHBondContact O-N 3Å; K762-L765 PolarHBondContact O-N 3.32Å; K762-D766 WeakPolarHBondContact O-CB 3.42Å; K762-D766 VanDerWaalsContact O-CG 3.24Å; K762-D766 PolarHBondContact O-N 3.17Å
763	A	92.2	Very high	91	Very high	57 Å²	57	53 Å²	53	47%	0.471	29%	0.293	S	S	.	.	H	α-helix	trans	-59.4	-42.6	178.1	0	0	0	0	0	112.7	D759 R760 L761 L765 D766 E767	D759-A763 WeakPolarHBondContact O-CB 3.49Å; D759-A763 PolarHBondContact O-N 3.48Å; R760-A763 PolarHBondContact O-N 2.98Å; L761-A763 PolarHBondContact O-N 3.35Å; A763-L765 VanDerWaalsContact C-N 3.33Å; A763-L765 PolarHBondContact O-N 3.4Å; A763-D766 PolarHBondContact O-N 3.09Å; A763-E767 PolarHBondContact O-N 3.36Å; A763-E767 VanDerWaalsContact O-N 3.1Å
764	T	92.6	Very high	91	Very high	55 Å²	55	56.5 Å²	56.5	34%	0.337	31%	0.307	S	S	.	.	H	α-helix	trans	-65.6	-35.4	177	56.4	0	0	0	0	113	R760 L761 K762 A768	R760-T764 WeakPolarHBondContact O-CG2 3.29Å; R760-T764 PolarHBondContact O-N 2.92Å; R760-T764 PolarHBondContact O-OG1 2.93Å; L761-T764 WeakPolarHBondContact CA-OG1 3.25Å; L761-T764 PolarHBondContact O-N 3.18Å; L761-T764 PolarHBondContact O-OG1 3.22Å; K762-T764 VanDerWaalsContact C-N 3.34Å; K762-T764 PolarHBondContact O-N 3Å; T764-A768 WeakPolarHBondContact O-CB 3.46Å; T764-A768 PolarHBondContact O-N 2.89Å; T764-A768 VanDerWaalsContact O-N 3.15Å
765	L	93.5	Very high	91.4	Very high	3 Å²	3	56.4 Å²	56.4	2%	0.016	30%	0.296	C	S	.	.	H	α-helix	trans	-71.8	-44	176	-64.4	172.3	0	0	0	111.1	M671 I672 L747 L761 K762 A763 E767 A768 W769	M671-L765 HydrophobicContact CB-CD2 3.59Å; M671-L765 HydrophobicContact CE-CD1 3.49Å; M671-L765 VanDerWaalsContact CE-CD1 3.49Å; M671-L765 HydrophobicContact CE-CD2 4.21Å; M671-L765 HydrophobicContact CG-CD2 4.46Å; M671-L765 HydrophobicContact SD-CD1 3.74Å; M671-L765 HydrophobicContact SD-CD2 4.15Å; I672-L765 HydrophobicContact CG1-CD2 4.2Å; L747-L765 HydrophobicContact CD1-CD1 4.38Å; L747-L765 HydrophobicContact CD2-CD1 4.06Å; L747-L765 HydrophobicContact CG-CD1 4.34Å; L761-L765 HydrophobicContact CD1-CD1 4.05Å; L761-L765 HydrophobicContact CD1-CD2 4.41Å; L761-L765 HydrophobicContact CD1-CG 4.06Å; L761-L765 HydrophobicContact CG-CD1 3.97Å; L761-L765 HydrophobicContact CG-CG 4.4Å; L761-L765 VanDerWaalsContact O-CG 3.28Å; L761-L765 WeakPolarHBondContact O-CG 3.38Å; L761-L765 PolarHBondContact O-N 3.37Å; K762-L765 PolarHBondContact O-N 3.32Å; A763-L765 VanDerWaalsContact C-N 3.33Å; A763-L765 PolarHBondContact O-N 3.4Å; L765-E767 VanDerWaalsContact C-N 3.31Å; L765-E767 PolarHBondContact O-N 2.94Å; L765-A768 PolarHBondContact O-N 2.95Å; L765-W769 HydrophobicContact CB-CE3 4.28Å; L765-W769 HydrophobicContact CB-CZ3 4.36Å; L765-W769 HydrophobicContact CD2-CE3 4.22Å; L765-W769 HydrophobicContact CD2-CH2 4.09Å; L765-W769 HydrophobicContact CD2-CZ3 3.47Å; L765-W769 VanDerWaalsContact CD2-CZ3 3.47Å; L765-W769 HydrophobicContact CG-CZ3 4.49Å; L765-W769 WeakPolarHBondContact O-CB 3.39Å; L765-W769 VanDerWaalsContact O-CE3 3.28Å; L765-W769 PolarHBondContact O-N 3.1Å
766	D	91.3	Very high	91.6	Very high	95 Å²	95	56 Å²	56	51%	0.508	29%	0.294	S	S	.	.	H	α-helix	trans	-59.1	-43.8	179.8	-71.7	-18.9	0	0	0	110.8	K762 A763 D770	K762-D766 WeakPolarHBondContact O-CB 3.42Å; K762-D766 VanDerWaalsContact O-CG 3.24Å; K762-D766 PolarHBondContact O-N 3.17Å; A763-D766 PolarHBondContact O-N 3.09Å; D766-D770 WeakPolarHBondContact O-CB 3.37Å; D766-D770 PolarHBondContact O-N 3.3Å; D766-D770 VanDerWaalsContact O-N 3.09Å
767	E	92.4	Very high	91.7	Very high	142 Å²	142	55 Å²	55	66%	0.664	29%	0.288	S	S	*	.	H	α-helix	trans	-64.7	-49.2	175.4	-175.1	176.8	-170.5	0	0	112.3	A763 L765 W769 D770 E771	A763-E767 PolarHBondContact O-N 3.36Å; A763-E767 VanDerWaalsContact O-N 3.1Å; L765-E767 VanDerWaalsContact C-N 3.31Å; L765-E767 PolarHBondContact O-N 2.94Å; E767-W769 VanDerWaalsContact C-N 3.35Å; E767-W769 PolarHBondContact O-N 3.16Å; E767-D770 PolarHBondContact O-N 2.87Å; E767-E771 PolarHBondContact O-N 3Å; E767-E771 VanDerWaalsContact O-N 3.15Å
768	A	93.3	Very high	91.9	Very high	23 Å²	23	56.1 Å²	56.1	19%	0.19	29%	0.294	C	S	.	.	H	α-helix	trans	-65.2	-36.2	-178.4	0	0	0	0	0	112.9	I672 T764 L765 G772	I672-A768 HydrophobicContact CD1-CB 3.88Å; I672-A768 HydrophobicContact CG1-CB 3.81Å; I672-A768 HydrophobicContact CG2-CB 4.45Å; T764-A768 WeakPolarHBondContact O-CB 3.46Å; T764-A768 PolarHBondContact O-N 2.89Å; T764-A768 VanDerWaalsContact O-N 3.15Å; L765-A768 PolarHBondContact O-N 2.95Å; A768-G772 PolarHBondContact O-N 3.4Å
769	W	93.1	Very high	92	Very high	5 Å²	5	56.5 Å²	56.5	2%	0.019	29%	0.291	C	S	.	.	H	α-helix	trans	-73.1	-34	176.3	-98.4	-105.9	0	0	0	112.7	M671 I672 I675 V735 V738 A739 N743 L765 E767 R773	M671-W769 HydrophobicContact CB-CH2 4.29Å; M671-W769 VanDerWaalsContact O-CH2 3.3Å; M671-W769 WeakPolarHBondContact O-CH2 3.39Å; I672-W769 HydrophobicContact CG1-CZ3 3.96Å; I675-W769 HydrophobicContact CD1-CD2 3.85Å; I675-W769 HydrophobicContact CD1-CE3 4.36Å; I675-W769 HydrophobicContact CD1-CG 4.01Å; I675-W769 HydrophobicContact CD1-CZ2 4.35Å; I675-W769 HydrophobicContact CG1-CD2 4Å; I675-W769 HydrophobicContact CG1-CE3 3.99Å; I675-W769 HydrophobicContact CG1-CH2 4.37Å; I675-W769 HydrophobicContact CG1-CZ2 4.32Å; I675-W769 HydrophobicContact CG1-CZ3 4.17Å; V735-W769 PolarHBondContact O-NE1 3.41Å; V738-W769 HydrophobicContact CG1-CZ2 3.65Å; A739-W769 VanDerWaalsContact CB-CD1 3.49Å; A739-W769 HydrophobicContact CB-CG 4.25Å; N743-W769 WeakPolarHBondContact ND2-CZ2 3.5Å; L765-W769 HydrophobicContact CB-CE3 4.28Å; L765-W769 HydrophobicContact CB-CZ3 4.36Å; L765-W769 HydrophobicContact CD2-CE3 4.22Å; L765-W769 HydrophobicContact CD2-CH2 4.09Å; L765-W769 HydrophobicContact CD2-CZ3 3.47Å; L765-W769 VanDerWaalsContact CD2-CZ3 3.47Å; L765-W769 HydrophobicContact CG-CZ3 4.49Å; L765-W769 WeakPolarHBondContact O-CB 3.39Å; L765-W769 VanDerWaalsContact O-CE3 3.28Å; L765-W769 PolarHBondContact O-N 3.1Å; E767-W769 VanDerWaalsContact C-N 3.35Å; E767-W769 PolarHBondContact O-N 3.16Å; W769-R773 WeakPolarHBondContact O-CB 3.25Å; W769-R773 PolarHBondContact O-N 3.13Å
770	D	89.8	Confident	92.1	Very high	67 Å²	67	50.2 Å²	50.2	36%	0.358	26%	0.258	S	S	.	.	H	α-helix	trans	-63.6	-46.6	174.8	-172.4	45.5	0	0	0	111	D766 E767 R773 K774	D766-D770 WeakPolarHBondContact O-CB 3.37Å; D766-D770 PolarHBondContact O-N 3.3Å; D766-D770 VanDerWaalsContact O-N 3.09Å; E767-D770 PolarHBondContact O-N 2.87Å; D770-R773 PolarHBondContact O-N 2.64Å; D770-K774 VanDerWaalsContact CG-CE 3.49Å; D770-K774 WeakPolarHBondContact O-CG 3.33Å; D770-K774 PolarHBondContact O-N 2.9Å; D770-K774 WeakPolarHBondContact OD1-CE 3.21Å; D770-K774 IonicContact OD1-NZ 3.55Å; D770-K774 WeakPolarHBondContact OD2-CE 3.36Å; D770-K774 IonicContact OD2-NZ 3.66Å; D770-K774 PolarHBondContact OD2-NZ 3.38Å
771	E	91.9	Very high	92.1	Very high	108 Å²	108	45.6 Å²	45.6	51%	0.505	24%	0.242	S	C	.	.	H	α-helix	trans	-65.7	-45.9	176.5	-70.3	-58.4	116.9	0	0	112.5	E767 R773 K774 D775	E767-E771 PolarHBondContact O-N 3Å; E767-E771 VanDerWaalsContact O-N 3.15Å; E771-R773 VanDerWaalsContact C-N 3.32Å; E771-R773 PolarHBondContact O-N 3.48Å; E771-K774 PolarHBondContact O-N 3.09Å; E771-K774 IonicContact OE1-NZ 3.51Å; E771-K774 PolarHBondContact OE1-NZ 3.4Å; E771-D775 PolarHBondContact O-N 3.35Å
772	G	90.9	Very high	91.9	Very high	1 Å²	1	51 Å²	51	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-61.1	-39.8	177.1	0	0	0	0	0	113	A768 I776	A768-G772 PolarHBondContact O-N 3.4Å; G772-I776 WeakPolarHBondContact O-CD1 3.08Å; G772-I776 WeakPolarHBondContact O-CG1 3.28Å; G772-I776 PolarHBondContact O-N 3.07Å; G772-I776 VanDerWaalsContact O-N 3.12Å
773	R	90.7	Very high	91.7	Very high	25 Å²	25	47 Å²	47	9%	0.094	25%	0.248	C	C	.	.	H	α-helix	trans	-62.9	-48.4	174.6	176.8	-154.4	-53	-95	-11.8	111.7	L732 E736 W769 D770 E771 D775 I776 C777 S870 I871	L732-R773 HydrophobicContact CD1-CG 4.17Å; E736-R773 IonicContact OE1-CZ 3.92Å; E736-R773 IonicContact OE1-NH1 3.64Å; E736-R773 PolarHBondContact OE1-NH1 3.2Å; E736-R773 IonicContact OE2-CZ 2.98Å; E736-R773 IonicContact OE2-NH1 2.67Å; E736-R773 PolarHBondContact OE2-NH1 3.07Å; E736-R773 IonicContact OE2-NH2 2.88Å; E736-R773 PolarHBondContact OE2-NH2 2.87Å; W769-R773 WeakPolarHBondContact O-CB 3.25Å; W769-R773 PolarHBondContact O-N 3.13Å; D770-R773 PolarHBondContact O-N 2.64Å; E771-R773 VanDerWaalsContact C-N 3.32Å; E771-R773 PolarHBondContact O-N 3.48Å; R773-D775 VanDerWaalsContact C-N 3.33Å; R773-D775 PolarHBondContact O-N 3.45Å; R773-I776 PolarHBondContact O-N 3.13Å; R773-C777 WeakPolarHBondContact O-CB 3.15Å; R773-C777 PolarHBondContact O-N 3.32Å; R773-S870 PolarHBondContact NH1-OG 2.59Å; R773-S870 PolarHBondContact NH2-OG 2.99Å; R773-I871 HydrophobicContact CG-CG1 4.42Å
774	K	90.6	Very high	91.5	Very high	99 Å²	99	44.3 Å²	44.3	43%	0.43	23%	0.226	S	C	.	.	H	α-helix	trans	-60.7	-42.3	179	-73	173.4	-160.4	154.1	0	111.6	D770 E771 S778	D770-K774 VanDerWaalsContact CG-CE 3.49Å; D770-K774 WeakPolarHBondContact O-CG 3.33Å; D770-K774 PolarHBondContact O-N 2.9Å; D770-K774 WeakPolarHBondContact OD1-CE 3.21Å; D770-K774 IonicContact OD1-NZ 3.55Å; D770-K774 WeakPolarHBondContact OD2-CE 3.36Å; D770-K774 IonicContact OD2-NZ 3.66Å; D770-K774 PolarHBondContact OD2-NZ 3.38Å; E771-K774 PolarHBondContact O-N 3.09Å; E771-K774 IonicContact OE1-NZ 3.51Å; E771-K774 PolarHBondContact OE1-NZ 3.4Å; K774-S778 VanDerWaalsContact O-CB 3.25Å; K774-S778 WeakPolarHBondContact O-CB 3.46Å; K774-S778 PolarHBondContact O-N 3.22Å
775	D	93.7	Very high	91.4	Very high	45 Å²	45	41.7 Å²	41.7	24%	0.241	21%	0.21	C	C	.	.	H	α-helix	trans	-58.7	-56.2	176.9	177.6	37.9	0	0	0	111.3	Q679 E771 R773 C777 S778 R779	Q679-D775 WeakPolarHBondContact CG-OD2 3.45Å; Q679-D775 PolarHBondContact NE2-OD2 3.09Å; E771-D775 PolarHBondContact O-N 3.35Å; R773-D775 VanDerWaalsContact C-N 3.33Å; R773-D775 PolarHBondContact O-N 3.45Å; D775-C777 VanDerWaalsContact C-N 3.33Å; D775-C777 PolarHBondContact O-N 2.83Å; D775-S778 PolarHBondContact O-N 3.07Å; D775-R779 WeakPolarHBondContact O-CG 3.5Å; D775-R779 PolarHBondContact O-N 3.4Å; D775-R779 IonicContact OD1-CZ 3.78Å; D775-R779 IonicContact OD1-NE 2.77Å; D775-R779 PolarHBondContact OD1-NE 3.14Å; D775-R779 IonicContact OD1-NH2 3.49Å; D775-R779 IonicContact OD2-CZ 2.68Å; D775-R779 IonicContact OD2-NE 3.84Å; D775-R779 IonicContact OD2-NH2 3.82Å; D775-R779 PolarHBondContact OD2-NH2 3.47Å
776	I	92.8	Very high	91	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64	-39.7	-178.4	-62	160.9	0	0	0	111.2	V731 L732 V735 G772 R773 R779 Y780	V731-I776 HydrophobicContact CG1-CD1 4.08Å; V731-I776 HydrophobicContact CG1-CG2 4.25Å; L732-I776 HydrophobicContact CB-CG2 3.83Å; L732-I776 HydrophobicContact CD1-CB 4.31Å; L732-I776 HydrophobicContact CD1-CG2 4.21Å; V735-I776 HydrophobicContact CG2-CD1 3.72Å; G772-I776 WeakPolarHBondContact O-CD1 3.08Å; G772-I776 WeakPolarHBondContact O-CG1 3.28Å; G772-I776 PolarHBondContact O-N 3.07Å; G772-I776 VanDerWaalsContact O-N 3.12Å; R773-I776 PolarHBondContact O-N 3.13Å; I776-R779 PolarHBondContact O-N 3.27Å; I776-Y780 PolarHBondContact O-N 3.1Å
777	C	91.6	Very high	90.7	Very high	18 Å²	18	41.9 Å²	41.9	12%	0.122	21%	0.207	C	C	.	.	H	α-helix	trans	-62.5	-44.7	176.4	-174.2	0	0	0	0	111.6	L732 R773 D775 R779 Y780 V781	L732-C777 HydrophobicContact CD1-CB 4.24Å; L732-C777 HydrophobicContact CD2-CB 4.31Å; R773-C777 WeakPolarHBondContact O-CB 3.15Å; R773-C777 PolarHBondContact O-N 3.32Å; D775-C777 VanDerWaalsContact C-N 3.33Å; D775-C777 PolarHBondContact O-N 2.83Å; C777-R779 VanDerWaalsContact C-N 3.31Å; C777-R779 PolarHBondContact O-N 3.11Å; C777-Y780 PolarHBondContact O-N 3.27Å; C777-V781 WeakPolarHBondContact O-CB 3.38Å; C777-V781 VanDerWaalsContact O-CG2 3.31Å; C777-V781 WeakPolarHBondContact O-CG2 3.46Å; C777-V781 PolarHBondContact O-N 3.47Å
778	S	91.7	Very high	90.5	Very high	69 Å²	69	35.1 Å²	35.1	48%	0.483	18%	0.175	S	C	.	.	H	α-helix	trans	-60.1	-41.1	177	178.2	0	0	0	0	111.7	K774 D775 V781 K782	K774-S778 VanDerWaalsContact O-CB 3.25Å; K774-S778 WeakPolarHBondContact O-CB 3.46Å; K774-S778 PolarHBondContact O-N 3.22Å; D775-S778 PolarHBondContact O-N 3.07Å; S778-V781 PolarHBondContact O-N 3.41Å; S778-K782 WeakPolarHBondContact O-CB 3.46Å; S778-K782 PolarHBondContact O-N 3.4Å
779	R	92.1	Very high	90.1	Very high	39 Å²	39	34.1 Å²	34.1	15%	0.147	17%	0.167	C	C	.	.	H	α-helix	trans	-64.2	-45.7	176.2	-67.1	173.5	-171.5	-137.2	20	112.5	D683 E686 D775 I776 C777 K782 L783	D683-R779 IonicContact OD1-CZ 2.72Å; D683-R779 IonicContact OD1-NH1 3.76Å; D683-R779 PolarHBondContact OD1-NH1 3.09Å; D683-R779 IonicContact OD1-NH2 3.22Å; D683-R779 PolarHBondContact OD1-NH2 3.43Å; E686-R779 WeakPolarHBondContact OE1-CB 3.47Å; E686-R779 WeakPolarHBondContact OE1-CG 3.48Å; E686-R779 IonicContact OE2-CZ 2.79Å; E686-R779 IonicContact OE2-NH1 2.64Å; E686-R779 PolarHBondContact OE2-NH1 3.33Å; D775-R779 WeakPolarHBondContact O-CG 3.5Å; D775-R779 PolarHBondContact O-N 3.4Å; D775-R779 IonicContact OD1-CZ 3.78Å; D775-R779 IonicContact OD1-NE 2.77Å; D775-R779 PolarHBondContact OD1-NE 3.14Å; D775-R779 IonicContact OD1-NH2 3.49Å; D775-R779 IonicContact OD2-CZ 2.68Å; D775-R779 IonicContact OD2-NE 3.84Å; D775-R779 IonicContact OD2-NH2 3.82Å; D775-R779 PolarHBondContact OD2-NH2 3.47Å; I776-R779 PolarHBondContact O-N 3.27Å; C777-R779 VanDerWaalsContact C-N 3.31Å; C777-R779 PolarHBondContact O-N 3.11Å; R779-K782 PolarHBondContact O-N 2.68Å; R779-L783 WeakPolarHBondContact O-CB 3.31Å; R779-L783 PolarHBondContact O-N 3.49Å
780	Y	92.1	Very high	89.6	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-57.7	-50.3	173.3	169.8	-94	0	0	0	111.3	A725 L728 L729 I776 C777 K782 L783 R784 L838 I876 I880	A725-Y780 HydrophobicContact CB-CE2 4.22Å; L728-Y780 HydrophobicContact CB-CD2 4.33Å; L729-Y780 HydrophobicContact CB-CD2 4.23Å; L729-Y780 HydrophobicContact CB-CE2 4.08Å; L729-Y780 HydrophobicContact CD1-CE2 4.41Å; L729-Y780 HydrophobicContact CD2-CE2 4.41Å; I776-Y780 PolarHBondContact O-N 3.1Å; C777-Y780 PolarHBondContact O-N 3.27Å; Y780-K782 VanDerWaalsContact C-N 3.31Å; Y780-K782 PolarHBondContact O-N 3.12Å; Y780-L783 PolarHBondContact O-N 3.41Å; Y780-R784 HydrophobicContact CE1-CB 4.31Å; Y780-R784 HydrophobicContact CE1-CG 4.45Å; Y780-R784 HydrophobicContact CE2-CB 4.43Å; Y780-R784 HydrophobicContact CE2-CG 4.43Å; Y780-R784 WeakPolarHBondContact O-CB 3.27Å; Y780-R784 PolarHBondContact O-N 2.96Å; Y780-L838 HydrophobicContact CE1-CD2 4.01Å; Y780-I876 HydrophobicContact CD1-CG2 4.13Å; Y780-I876 HydrophobicContact CE1-CG2 3.7Å; Y780-I880 HydrophobicContact CE1-CD1 4.32Å
781	V	91.1	Very high	89.2	Confident	11 Å²	11	33.2 Å²	33.2	7%	0.067	16%	0.163	C	C	.	.	H	α-helix	trans	-59.5	-44.6	-179.1	167	0	0	0	0	110.5	C777 S778 R784 S785 I876 Q879 I880	C777-V781 WeakPolarHBondContact O-CB 3.38Å; C777-V781 VanDerWaalsContact O-CG2 3.31Å; C777-V781 WeakPolarHBondContact O-CG2 3.46Å; C777-V781 PolarHBondContact O-N 3.47Å; S778-V781 PolarHBondContact O-N 3.41Å; V781-R784 PolarHBondContact O-N 3.06Å; V781-S785 WeakPolarHBondContact O-CB 3.2Å; V781-S785 PolarHBondContact O-N 3.15Å; V781-S785 PolarHBondContact O-OG 2.69Å; V781-I876 HydrophobicContact CG2-CG2 4.19Å; V781-Q879 HydrophobicContact CG1-CB 3.69Å; V781-Q879 HydrophobicContact CG2-CB 4.2Å; V781-I880 HydrophobicContact CG1-CG1 4.27Å; V781-I880 HydrophobicContact CG2-CG1 4.47Å
782	K	89.7	Confident	88.6	Confident	113 Å²	113	28.3 Å²	28.3	49%	0.491	14%	0.14	S	C	.	.	H	α-helix	trans	-60.5	-56.1	178.4	-177.4	-176.3	175.7	-171.6	0	111.5	S778 R779 Y780 R784 S785 E786	S778-K782 WeakPolarHBondContact O-CB 3.46Å; S778-K782 PolarHBondContact O-N 3.4Å; R779-K782 PolarHBondContact O-N 2.68Å; Y780-K782 VanDerWaalsContact C-N 3.31Å; Y780-K782 PolarHBondContact O-N 3.12Å; K782-R784 VanDerWaalsContact C-N 3.29Å; K782-R784 PolarHBondContact O-N 3.4Å; K782-S785 PolarHBondContact O-N 3.19Å; K782-E786 WeakPolarHBondContact CE-OE1 3.47Å; K782-E786 WeakPolarHBondContact CG-OE1 3.36Å; K782-E786 WeakPolarHBondContact O-CG 3.41Å; K782-E786 PolarHBondContact O-N 3.41Å
783	L	88.6	Confident	87.8	Confident	12 Å²	12	32 Å²	32	6%	0.063	16%	0.157	C	C	.	.	H	α-helix	trans	-58.9	-42.9	-179.3	-178.6	64.4	0	0	0	111.4	V689 I721 Q724 A725 L728 R779 Y780 W787	V689-L783 HydrophobicContact CB-CD1 4.42Å; V689-L783 HydrophobicContact CG1-CD1 3.81Å; V689-L783 HydrophobicContact CG2-CD1 3.78Å; V689-L783 HydrophobicContact CG2-CD2 4.11Å; I721-L783 HydrophobicContact CG2-CD1 4.06Å; I721-L783 HydrophobicContact CG2-CG 4.13Å; Q724-L783 HydrophobicContact CB-CD2 4.03Å; A725-L783 HydrophobicContact CB-CD2 4.39Å; L728-L783 HydrophobicContact CD1-CB 4.36Å; L728-L783 HydrophobicContact CD1-CD2 3.73Å; R779-L783 WeakPolarHBondContact O-CB 3.31Å; R779-L783 PolarHBondContact O-N 3.49Å; Y780-L783 PolarHBondContact O-N 3.41Å; L783-W787 PolarHBondContact O-N 2.94Å
784	R	89	Confident	86.8	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-72.5	-36.1	-177.4	-158.5	59.7	162.3	146.3	-1.5	112.5	Y780 V781 K782 W787 L788 H833 I834 E837	Y780-R784 HydrophobicContact CE1-CB 4.31Å; Y780-R784 HydrophobicContact CE1-CG 4.45Å; Y780-R784 HydrophobicContact CE2-CB 4.43Å; Y780-R784 HydrophobicContact CE2-CG 4.43Å; Y780-R784 WeakPolarHBondContact O-CB 3.27Å; Y780-R784 PolarHBondContact O-N 2.96Å; V781-R784 PolarHBondContact O-N 3.06Å; K782-R784 VanDerWaalsContact C-N 3.29Å; K782-R784 PolarHBondContact O-N 3.4Å; R784-W787 VanDerWaalsContact NH1-CD2 3.25Å; R784-L788 VanDerWaalsContact O-CB 3.3Å; R784-L788 WeakPolarHBondContact O-CB 3.48Å; R784-L788 PolarHBondContact O-N 3.5Å; R784-H833 PolarHBondContact NH2-CE1 3.43Å; R784-H833 PolarHBondContact NH2-ND1 3.5Å; R784-I834 HydrophobicContact CG-CD1 3.81Å; R784-I834 HydrophobicContact CG-CG1 3.92Å; R784-E837 IonicContact CZ-OE2 3.1Å; R784-E837 IonicContact NE-OE2 3.98Å; R784-E837 IonicContact NH2-OE1 3.65Å; R784-E837 IonicContact NH2-OE2 3.89Å; R784-E837 PolarHBondContact NH2-OE2 3.02Å
785	S	89.6	Confident	85.7	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-73.2	-34.8	178.1	-52.9	0	0	0	0	112.3	V781 K782 L788 C789	V781-S785 WeakPolarHBondContact O-CB 3.2Å; V781-S785 PolarHBondContact O-N 3.15Å; V781-S785 PolarHBondContact O-OG 2.69Å; K782-S785 PolarHBondContact O-N 3.19Å; S785-L788 PolarHBondContact O-N 3.43Å; S785-C789 WeakPolarHBondContact O-CB 3.5Å; S785-C789 PolarHBondContact O-N 3.44Å; S785-C789 PolarHBondContact O-SG 2.92Å
786	E	84.7	Confident	84.4	Confident	80 Å²	80	29.9 Å²	29.9	37%	0.374	15%	0.151	S	C	.	.	H	α-helix	trans	-61.4	-48.3	171.3	-73.9	172.9	-173.7	0	0	111.1	K782 L788 C789 L790 Y883	K782-E786 WeakPolarHBondContact CE-OE1 3.47Å; K782-E786 WeakPolarHBondContact CG-OE1 3.36Å; K782-E786 WeakPolarHBondContact O-CG 3.41Å; K782-E786 PolarHBondContact O-N 3.41Å; E786-L788 VanDerWaalsContact C-N 3.33Å; E786-L788 PolarHBondContact O-N 2.92Å; E786-C789 PolarHBondContact O-N 2.91Å; E786-L790 PolarHBondContact O-N 3.38Å; E786-Y883 WeakPolarHBondContact CG-OH 3.2Å
787	W	85.9	Confident	82.9	Confident	22 Å²	22	34.6 Å²	34.6	8%	0.083	18%	0.175	C	C	.	.	H	α-helix	trans	-60.1	-42.7	174	176.7	79.7	0	0	0	112.7	I721 I722 L783 R784 C789 L790 N830 I834	I721-W787 HydrophobicContact CB-CG 4.49Å; I721-W787 HydrophobicContact CG2-CB 3.68Å; I721-W787 HydrophobicContact CG2-CG 3.91Å; I722-W787 HydrophobicContact CD1-CZ2 3.85Å; I722-W787 HydrophobicContact CG1-CZ2 3.85Å; L783-W787 PolarHBondContact O-N 2.94Å; R784-W787 VanDerWaalsContact NH1-CD2 3.25Å; W787-C789 PolarHBondContact O-N 3.26Å; W787-L790 VanDerWaalsContact O-CB 3.29Å; W787-L790 WeakPolarHBondContact O-CB 3.32Å; W787-L790 PolarHBondContact O-N 3.25Å; W787-L790 VanDerWaalsContact O-N 3.14Å; W787-N830 HydrophobicContact CH2-CB 3.71Å; W787-N830 VanDerWaalsContact CH2-CG 3.44Å; W787-N830 WeakPolarHBondContact CH2-OD1 3.45Å; W787-N830 HydrophobicContact CZ3-CB 3.64Å; W787-I834 HydrophobicContact CZ3-CD1 4.29Å; W787-I834 HydrophobicContact CZ3-CG1 4.33Å
788	L	87.6	Confident	81.2	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.1	-35.9	178.2	-177.9	65	0	0	0	111.5	R784 S785 E786 P791 V827 N830 L831 I834 I880 L884	R784-L788 VanDerWaalsContact O-CB 3.3Å; R784-L788 WeakPolarHBondContact O-CB 3.48Å; R784-L788 PolarHBondContact O-N 3.5Å; S785-L788 PolarHBondContact O-N 3.43Å; E786-L788 VanDerWaalsContact C-N 3.33Å; E786-L788 PolarHBondContact O-N 2.92Å; L788-P791 WeakPolarHBondContact O-CD 3.39Å; L788-V827 HydrophobicContact CD1-CB 4.48Å; L788-V827 HydrophobicContact CD1-CG1 3.91Å; L788-V827 WeakPolarHBondContact CD1-O 3.31Å; L788-V827 HydrophobicContact CG-CG1 4.09Å; L788-V827 WeakPolarHBondContact O-CG2 3.34Å; L788-N830 HydrophobicContact CD1-CB 3.67Å; L788-L831 HydrophobicContact CD1-CD2 4.34Å; L788-L831 HydrophobicContact CD1-CG 4.05Å; L788-L831 HydrophobicContact CD2-CD2 3.64Å; L788-L831 HydrophobicContact CD2-CG 4.08Å; L788-I834 HydrophobicContact CD1-CD1 4.14Å; L788-I834 HydrophobicContact CD2-CD1 4.41Å; L788-I880 HydrophobicContact CD2-CG2 3.5Å; L788-I880 VanDerWaalsContact CD2-CG2 3.5Å; L788-L884 HydrophobicContact CD2-CB 4.47Å; L788-L884 HydrophobicContact CD2-CD2 4.36Å
789	C	84.7	Confident	79.5	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.014	18%	0.18	C	C	.	.	H	α-helix	trans	-83.4	-8.6	179.9	-63.3	0	0	0	0	113.8	S785 E786 W787 L792 Q793 Y887	S785-C789 WeakPolarHBondContact O-CB 3.5Å; S785-C789 PolarHBondContact O-N 3.44Å; S785-C789 PolarHBondContact O-SG 2.92Å; E786-C789 PolarHBondContact O-N 2.91Å; W787-C789 PolarHBondContact O-N 3.26Å; C789-L792 CarbonylContact O-C 3.47Å; C789-L792 WeakPolarHBondContact O-CA 3.34Å; C789-L792 WeakPolarHBondContact O-CB 3.12Å; C789-L792 PolarHBondContact O-N 3.01Å; C789-L792 VanDerWaalsContact O-N 3.07Å; C789-Q793 PolarHBondContact O-N 3.4Å; C789-Y887 HydrophobicContact CB-CD1 3.92Å; C789-Y887 HydrophobicContact CB-CD2 4.21Å; C789-Y887 HydrophobicContact CB-CE1 4.09Å; C789-Y887 HydrophobicContact CB-CE2 4.35Å; C789-Y887 HydrophobicContact CB-CG 4Å
790	L	82.3	Confident	77.1	Confident	41 Å²	41	39.8 Å²	39.8	22%	0.215	20%	0.199	C	C	.	.	H	α-helix	trans	-58	-42.2	-176	-170.2	69	0	0	0	114.1	L714 E786 W787 L792 Q793 S794	L714-L790 HydrophobicContact CD2-CD2 4.36Å; L714-L790 HydrophobicContact CD2-CG 4.36Å; L714-L790 HydrophobicContact CG-CD2 4.3Å; E786-L790 PolarHBondContact O-N 3.38Å; W787-L790 VanDerWaalsContact O-CB 3.29Å; W787-L790 WeakPolarHBondContact O-CB 3.32Å; W787-L790 PolarHBondContact O-N 3.25Å; W787-L790 VanDerWaalsContact O-N 3.14Å; L790-L792 VanDerWaalsContact C-N 3.31Å; L790-L792 PolarHBondContact O-N 2.86Å; L790-Q793 WeakPolarHBondContact O-CB 3.42Å; L790-Q793 PolarHBondContact O-N 2.84Å; L790-Q793 VanDerWaalsContact O-N 3.16Å; L790-S794 PolarHBondContact O-N 3.44Å
791	P	81.5	Confident	74.9	Confident	12 Å²	12	44.8 Å²	44.8	8%	0.078	23%	0.231	C	C	.	.	H	α-helix	trans	-57.9	-44.2	173.5	-24.4	35.3	0	0	0	111.6	L788 Q793 S794 S823 E826	L788-P791 WeakPolarHBondContact O-CD 3.39Å; P791-Q793 PolarHBondContact O-N 3.33Å; P791-S794 PolarHBondContact O-N 2.9Å; P791-S794 PolarHBondContact O-OG 3.4Å; P791-S823 PolarHBondContact O-OG 3.45Å; P791-E826 HydrophobicContact CB-CB 4.26Å; P791-E826 HydrophobicContact CB-CG 4.27Å; P791-E826 HydrophobicContact CG-CB 4.3Å; P791-E826 HydrophobicContact CG-CG 3.86Å
792	L	79.4	Confident	72.5	Confident	5 Å²	5	46.9 Å²	46.9	3%	0.026	25%	0.247	C	C	.	.	H	α-helix	trans	-64.6	-39.4	176.2	-64.3	171.3	0	0	0	112	C789 L790 S794 Y795 L796 L824 V827 L884 Y887 I888	C789-L792 CarbonylContact O-C 3.47Å; C789-L792 WeakPolarHBondContact O-CA 3.34Å; C789-L792 WeakPolarHBondContact O-CB 3.12Å; C789-L792 PolarHBondContact O-N 3.01Å; C789-L792 VanDerWaalsContact O-N 3.07Å; L790-L792 VanDerWaalsContact C-N 3.31Å; L790-L792 PolarHBondContact O-N 2.86Å; L792-S794 PolarHBondContact O-N 3.21Å; L792-Y795 PolarHBondContact O-N 3.4Å; L792-L796 HydrophobicContact CB-CD1 4.11Å; L792-L796 VanDerWaalsContact O-CB 3.24Å; L792-L796 WeakPolarHBondContact O-CB 3.29Å; L792-L796 VanDerWaalsContact O-CG 3.31Å; L792-L796 WeakPolarHBondContact O-CG 3.3Å; L792-L796 PolarHBondContact O-N 3.41Å; L792-L824 HydrophobicContact CD1-CD2 4.36Å; L792-L824 HydrophobicContact CD2-CD2 3.76Å; L792-L824 HydrophobicContact CD2-CG 3.89Å; L792-V827 HydrophobicContact CD1-CG2 3.88Å; L792-V827 HydrophobicContact CD2-CG2 4.41Å; L792-V827 HydrophobicContact CG-CG2 3.77Å; L792-L884 HydrophobicContact CD1-CD1 3.72Å; L792-Y887 HydrophobicContact CB-CD1 4.46Å; L792-Y887 HydrophobicContact CB-CE1 3.98Å; L792-Y887 HydrophobicContact CD1-CD1 4.45Å; L792-I888 HydrophobicContact CD1-CD1 4.18Å; L792-I888 HydrophobicContact CD1-CG1 3.9Å
793	Q	74.9	Confident	70.2	Confident	78 Å²	78	49.7 Å²	49.7	36%	0.364	26%	0.261	S	S	.	.	H	α-helix	trans	-60	-45.4	178.4	-174.4	172.4	-11.3	0	0	111.7	C789 L790 P791 Y795 L796 L797 Y887	C789-Q793 PolarHBondContact O-N 3.4Å; L790-Q793 WeakPolarHBondContact O-CB 3.42Å; L790-Q793 PolarHBondContact O-N 2.84Å; L790-Q793 VanDerWaalsContact O-N 3.16Å; P791-Q793 PolarHBondContact O-N 3.33Å; Q793-Y795 PolarHBondContact O-N 2.93Å; Q793-L796 PolarHBondContact O-N 3.35Å; Q793-L797 WeakPolarHBondContact O-CB 3.48Å; Q793-L797 PolarHBondContact O-N 2.96Å; Q793-Y887 VanDerWaalsContact CA-OH 3.25Å; Q793-Y887 WeakPolarHBondContact CA-OH 3.46Å; Q793-Y887 WeakPolarHBondContact CB-OH 3.4Å; Q793-Y887 WeakPolarHBondContact CG-OH 3.47Å
794	S	69.3	Low	68	Low	42 Å²	42	59.3 Å²	59.3	29%	0.294	30%	0.297	S	S	.	.	H	α-helix	trans	-58.3	-30.5	-179.1	72.6	0	0	0	0	113.3	L790 P791 L792 N798	L790-S794 PolarHBondContact O-N 3.44Å; P791-S794 PolarHBondContact O-N 2.9Å; P791-S794 PolarHBondContact O-OG 3.4Å; L792-S794 PolarHBondContact O-N 3.21Å; S794-N798 WeakPolarHBondContact O-CB 3.38Å; S794-N798 VanDerWaalsContact O-CG 3.31Å; S794-N798 PolarHBondContact O-ND2 3.39Å
795	Y	67.1	Low	65.8	Low	67 Å²	67	63.1 Å²	63.1	26%	0.263	31%	0.312	S	S	.	.	H	α-helix	trans	-95.2	-45.3	177.4	-78	-86.2	0	0	0	112.9	L792 Q793 L797 N798 L799 Y815 G819 S823	L792-Y795 PolarHBondContact O-N 3.4Å; Q793-Y795 PolarHBondContact O-N 2.93Å; Y795-L797 VanDerWaalsContact C-N 3.34Å; Y795-L797 PolarHBondContact O-N 3.12Å; Y795-N798 PolarHBondContact O-N 3.47Å; Y795-L799 WeakPolarHBondContact O-CG 3.45Å; Y795-L799 PolarHBondContact O-N 3.49Å; Y795-L799 VanDerWaalsContact O-N 3.14Å; Y795-Y815 HydrophobicContact CE1-CE1 4.21Å; Y795-G819 VanDerWaalsContact CD1-CA 3.47Å; Y795-S823 WeakPolarHBondContact CD2-OG 3.49Å; Y795-S823 WeakPolarHBondContact CE2-OG 3.44Å
796	L	66.6	Low	63.7	Low	16 Å²	16	68.6 Å²	68.6	8%	0.084	34%	0.34	C	S	.	.	H	α-helix	trans	-70.3	-27.5	-177	-66.6	175.4	0	0	0	113.2	L792 Q793 L799 Y887 R891 L892	L792-L796 HydrophobicContact CB-CD1 4.11Å; L792-L796 VanDerWaalsContact O-CB 3.24Å; L792-L796 WeakPolarHBondContact O-CB 3.29Å; L792-L796 VanDerWaalsContact O-CG 3.31Å; L792-L796 WeakPolarHBondContact O-CG 3.3Å; L792-L796 PolarHBondContact O-N 3.41Å; Q793-L796 PolarHBondContact O-N 3.35Å; L796-L799 HydrophobicContact CD2-CD1 3.93Å; L796-Y887 HydrophobicContact CD1-CE1 4.26Å; L796-R891 HydrophobicContact CB-CB 4.41Å; L796-R891 HydrophobicContact CD1-CB 3.82Å; L796-R891 HydrophobicContact CD1-CG 4.22Å; L796-L892 HydrophobicContact CD2-CD2 4.48Å
797	L	62.4	Low	61.8	Low	99 Å²	99	71.7 Å²	71.7	52%	0.518	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-43.3	172.8	-167	75.1	0	0	0	111.4	Q793 Y795 L799 L800	Q793-L797 WeakPolarHBondContact O-CB 3.48Å; Q793-L797 PolarHBondContact O-N 2.96Å; Y795-L797 VanDerWaalsContact C-N 3.34Å; Y795-L797 PolarHBondContact O-N 3.12Å; L797-L799 PolarHBondContact O-N 3.3Å; L797-L800 PolarHBondContact O-N 2.88Å
798	N	56.2	Low	59.9	Low	114 Å²	114	73.9 Å²	73.9	61%	0.61	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-8.9	179.9	-78.7	-26.7	0	0	0	113.9	S794 Y795 L800	S794-N798 WeakPolarHBondContact O-CB 3.38Å; S794-N798 VanDerWaalsContact O-CG 3.31Å; S794-N798 PolarHBondContact O-ND2 3.39Å; Y795-N798 PolarHBondContact O-N 3.47Å; N798-L800 PolarHBondContact O-N 2.96Å
799	L	55.3	Low	58.1	Low	18 Å²	18	81.4 Å²	81.4	9%	0.094	41%	0.408	C	S	.	.			trans	-66.4	51.9	156.7	-72.6	169.6	0	0	0	110.4	Y795 L796 L797 L816 R895 W900	Y795-L799 WeakPolarHBondContact O-CG 3.45Å; Y795-L799 PolarHBondContact O-N 3.49Å; Y795-L799 VanDerWaalsContact O-N 3.14Å; L796-L799 HydrophobicContact CD2-CD1 3.93Å; L797-L799 PolarHBondContact O-N 3.3Å; L799-L816 HydrophobicContact CD1-CD1 3.65Å; L799-L816 HydrophobicContact CD2-CD1 3.32Å; L799-L816 HydrophobicContact CD2-CD2 3.98Å; L799-L816 HydrophobicContact CD2-CG 4.21Å; L799-L816 HydrophobicContact CG-CD1 3.84Å; L799-R895 PolarHBondContact O-NH1 3.43Å; L799-R895 PolarHBondContact O-NH2 2.96Å; L799-W900 HydrophobicContact CD1-CH2 4.27Å; L799-W900 HydrophobicContact CD1-CZ2 3.96Å
800	L	41.3	Very low	56.4	Low	104 Å²	104	89.9 Å²	89.9	55%	0.545	44%	0.444	S	S	.	.			trans	-52.9	135.8	168.8	-88.1	155.3	0	0	0	108.1	L797 N798 S802	L797-L800 PolarHBondContact O-N 2.88Å; N798-L800 PolarHBondContact O-N 2.96Å; L800-S802 PolarHBondContact O-N 3.32Å
801	P	45.5	Very low	54.9	Low	104 Å²	104	96.5 Å²	96.5	68%	0.675	47%	0.471	S	S	*	.			trans	-70.5	18.8	172.3	31.8	-32.2	0	0	0	111.8	E803	P801-E803 PolarHBondContact O-N 3.42Å
802	S	41.3	Very low	53.5	Low	56 Å²	56	98.4 Å²	98.4	39%	0.392	48%	0.481	S	S	.	.			trans	-44.6	119.9	-179.2	-76.8	0	0	0	0	108.7	L800 R804 Y805	L800-S802 PolarHBondContact O-N 3.32Å; S802-R804 CarbonylContact O-C 3.6Å; S802-R804 PolarHBondContact O-N 2.85Å; S802-Y805 PolarHBondContact O-N 3.3Å
803	E	42.2	Very low	52.5	Low	171 Å²	171	99.2 Å²	99.2	80%	0.799	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-49.7	-12.3	177.7	-65.6	174.1	148	0	0	113.3	P801 Y805 I806	P801-E803 PolarHBondContact O-N 3.42Å; E803-Y805 VanDerWaalsContact C-N 3.31Å; E803-Y805 PolarHBondContact O-N 3.5Å; E803-I806 PolarHBondContact O-N 2.61Å
804	R	41	Very low	51.9	Low	214 Å²	214	100.2 Å²	100.2	81%	0.808	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-61.9	-27.6	166.7	-69	-170.1	-176.2	-172.8	2.5	114.9	S802 I806 N807	S802-R804 CarbonylContact O-C 3.6Å; S802-R804 PolarHBondContact O-N 2.85Å; R804-I806 PolarHBondContact O-N 3.18Å; R804-N807 PolarHBondContact O-N 2.99Å; R804-N807 VanDerWaalsContact O-N 3.11Å
805	Y	43.2	Very low	51.7	Low	81 Å²	81	105.3 Å²	105.3	32%	0.318	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-63.2	-27.1	179.4	-132.3	-84.1	0	0	0	112.2	S802 E803 N807 D812	S802-Y805 PolarHBondContact O-N 3.3Å; E803-Y805 VanDerWaalsContact C-N 3.31Å; E803-Y805 PolarHBondContact O-N 3.5Å; Y805-N807 PolarHBondContact O-N 3.34Å; Y805-D812 HydrophobicContact CE1-CB 4.03Å; Y805-D812 HydrophobicContact CE2-CB 4.33Å; Y805-D812 PolarHBondContact OH-O 3.29Å
806	I	45.2	Very low	51.6	Low	115 Å²	115	102.3 Å²	102.3	59%	0.59	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-64	-25.3	179	-59.4	177.1	0	0	0	111.2	E803 R804	E803-I806 PolarHBondContact O-N 2.61Å; R804-I806 PolarHBondContact O-N 3.18Å
807	N	45.9	Very low	51.6	Low	145 Å²	145	102.7 Å²	102.7	78%	0.775	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-100.2	-4.3	-172.7	-81.1	-14.5	0	0	0	116.2	R804 Y805	R804-N807 PolarHBondContact O-N 2.99Å; R804-N807 VanDerWaalsContact O-N 3.11Å; Y805-N807 PolarHBondContact O-N 3.34Å
808	T	45.6	Very low	51.9	Low	68 Å²	68	102.4 Å²	102.4	42%	0.417	50%	0.495	S	S	.	.			trans	-124.3	50.7	178.3	40.7	0	0	0	0	113	K810 D812	T808-K810 PolarHBondContact O-N 2.82Å; T808-D812 VanDerWaalsContact CB-OD2 3.26Å; T808-D812 WeakPolarHBondContact CB-OD2 3.37Å; T808-D812 PolarHBondContact OG1-OD2 3.43Å
809	K	49.3	Very low	52.7	Low	157 Å²	157	97.1 Å²	97.1	68%	0.683	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	16.7	-173.1	-85	-171.2	175.2	-175	0	119.8
810	K	49	Very low	53.6	Low	180 Å²	180	96.8 Å²	96.8	78%	0.783	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147.3	-37.2	175.8	-78.5	-167	177.1	179.5	0	115.9	T808	T808-K810 PolarHBondContact O-N 2.82Å
811	K	50	Low	55.3	Low	181 Å²	181	93.9 Å²	93.9	79%	0.787	45%	0.449	S	S	*	.	H	α-helix	trans	-73.3	-33.6	179.5	-95.4	-175.2	173.9	-178.6	0	111.7
812	D	52.8	Low	56.9	Low	51 Å²	51	91 Å²	91	27%	0.273	43%	0.431	S	S	.	.	H	α-helix	trans	-82.2	-21.2	-177.4	-59.1	-22.9	0	0	0	112.7	Y805 T808 Y815 L816	Y805-D812 HydrophobicContact CE1-CB 4.03Å; Y805-D812 HydrophobicContact CE2-CB 4.33Å; Y805-D812 PolarHBondContact OH-O 3.29Å; T808-D812 VanDerWaalsContact CB-OD2 3.26Å; T808-D812 WeakPolarHBondContact CB-OD2 3.37Å; T808-D812 PolarHBondContact OG1-OD2 3.43Å; D812-Y815 PolarHBondContact O-N 3.19Å; D812-L816 WeakPolarHBondContact O-CB 3.34Å; D812-L816 PolarHBondContact O-N 3.46Å
813	D	58.5	Low	58.8	Low	22 Å²	22	88.3 Å²	88.3	12%	0.118	41%	0.413	C	S	.	.	H	α-helix	trans	-61.3	-46.4	172.4	-81.2	-51.7	0	0	0	111.8	Y815 L816 I817 S901	D813-Y815 VanDerWaalsContact C-N 3.27Å; D813-Y815 PolarHBondContact O-N 3.34Å; D813-L816 PolarHBondContact O-N 3.17Å; D813-I817 WeakPolarHBondContact O-CB 3.34Å; D813-I817 WeakPolarHBondContact O-CD1 3.19Å; D813-I817 WeakPolarHBondContact O-CG1 3.31Å; D813-I817 PolarHBondContact O-N 2.88Å; D813-S901 WeakPolarHBondContact CB-OG 3.35Å; D813-S901 VanDerWaalsContact OD1-CB 3.24Å; D813-S901 WeakPolarHBondContact OD1-CB 3.23Å; D813-S901 PolarHBondContact OD1-N 3.27Å; D813-S901 PolarHBondContact OD1-OG 3.49Å; D813-S901 WeakPolarHBondContact OD2-CB 3.25Å; D813-S901 PolarHBondContact OD2-OG 2.94Å
814	I	62.3	Low	60.6	Low	100 Å²	100	80.5 Å²	80.5	51%	0.513	38%	0.377	S	S	.	.	H	α-helix	trans	-63.8	-37.8	178.3	-62.9	173.5	0	0	0	110.3	N818	I814-N818 WeakPolarHBondContact CG2-ND2 3.25Å; I814-N818 VanDerWaalsContact O-CB 3.27Å; I814-N818 WeakPolarHBondContact O-CB 3.31Å; I814-N818 VanDerWaalsContact O-CG 3.23Å; I814-N818 PolarHBondContact O-N 3.43Å; I814-N818 PolarHBondContact O-ND2 3.05Å
815	Y	65.3	Low	62.4	Low	148 Å²	148	73.1 Å²	73.1	58%	0.58	35%	0.351	S	S	*	.	H	α-helix	trans	-64.9	-43.8	176.5	-175.2	-96.1	0	0	0	111.6	Y795 D812 D813 G819	Y795-Y815 HydrophobicContact CE1-CE1 4.21Å; D812-Y815 PolarHBondContact O-N 3.19Å; D813-Y815 VanDerWaalsContact C-N 3.27Å; D813-Y815 PolarHBondContact O-N 3.34Å; Y815-G819 WeakPolarHBondContact O-CA 3.47Å; Y815-G819 PolarHBondContact O-N 3.45Å
816	L	64.5	Low	64.2	Low	5 Å²	5	74.2 Å²	74.2	3%	0.026	36%	0.359	C	S	.	.	H	α-helix	trans	-63.1	-48.1	176.5	178.7	55.5	0	0	0	112.4	L799 D812 D813 G819 I820 W900	L799-L816 HydrophobicContact CD1-CD1 3.65Å; L799-L816 HydrophobicContact CD2-CD1 3.32Å; L799-L816 HydrophobicContact CD2-CD2 3.98Å; L799-L816 HydrophobicContact CD2-CG 4.21Å; L799-L816 HydrophobicContact CG-CD1 3.84Å; D812-L816 WeakPolarHBondContact O-CB 3.34Å; D812-L816 PolarHBondContact O-N 3.46Å; D813-L816 PolarHBondContact O-N 3.17Å; L816-G819 PolarHBondContact O-N 2.71Å; L816-I820 HydrophobicContact CD1-CD1 3.58Å; L816-I820 HydrophobicContact CD1-CG1 4.03Å; L816-I820 HydrophobicContact CG-CD1 4.1Å; L816-I820 WeakPolarHBondContact O-CG1 3.22Å; L816-I820 PolarHBondContact O-N 3.43Å; L816-W900 HydrophobicContact CD1-CH2 4.43Å; L816-W900 HydrophobicContact CD2-CD2 3.69Å; L816-W900 HydrophobicContact CD2-CE3 3.82Å; L816-W900 HydrophobicContact CD2-CG 4.21Å; L816-W900 HydrophobicContact CD2-CH2 4.24Å; L816-W900 HydrophobicContact CD2-CZ2 4.11Å; L816-W900 HydrophobicContact CD2-CZ3 4.09Å; L816-W900 HydrophobicContact CG-CZ3 4.46Å
817	I	66.5	Low	66.1	Low	23 Å²	23	68.8 Å²	68.8	12%	0.118	33%	0.331	C	S	.	.	H	α-helix	trans	-55.6	-56.8	176.5	-75.2	165.6	0	0	0	110.5	D813 G819 H821 L903 A904 Q907	D813-I817 WeakPolarHBondContact O-CB 3.34Å; D813-I817 WeakPolarHBondContact O-CD1 3.19Å; D813-I817 WeakPolarHBondContact O-CG1 3.31Å; D813-I817 PolarHBondContact O-N 2.88Å; I817-G819 VanDerWaalsContact C-N 3.27Å; I817-G819 PolarHBondContact O-N 2.6Å; I817-H821 VanDerWaalsContact O-CB 3.32Å; I817-H821 WeakPolarHBondContact O-CB 3.16Å; I817-H821 PolarHBondContact O-N 2.92Å; I817-H821 VanDerWaalsContact O-N 3.09Å; I817-L903 HydrophobicContact CD1-CB 3.71Å; I817-A904 HydrophobicContact CD1-CB 4.08Å; I817-A904 VanDerWaalsContact CG1-CA 3.47Å; I817-A904 HydrophobicContact CG1-CB 3.71Å; I817-Q907 HydrophobicContact CB-CB 4.47Å; I817-Q907 HydrophobicContact CB-CG 4.46Å; I817-Q907 HydrophobicContact CG1-CB 4.21Å; I817-Q907 HydrophobicContact CG2-CB 3.85Å; I817-Q907 HydrophobicContact CG2-CG 3.66Å
818	N	69.9	Low	67.7	Low	94 Å²	94	62.2 Å²	62.2	50%	0.503	30%	0.296	S	S	.	.	H	α-helix	trans	-66.2	-35.3	-176	-71	-16.2	0	0	0	111.1	I814 S822	I814-N818 WeakPolarHBondContact CG2-ND2 3.25Å; I814-N818 VanDerWaalsContact O-CB 3.27Å; I814-N818 WeakPolarHBondContact O-CB 3.31Å; I814-N818 VanDerWaalsContact O-CG 3.23Å; I814-N818 PolarHBondContact O-N 3.43Å; I814-N818 PolarHBondContact O-ND2 3.05Å; N818-S822 VanDerWaalsContact O-CB 3.27Å; N818-S822 WeakPolarHBondContact O-CB 3.36Å; N818-S822 PolarHBondContact O-N 3.37Å; N818-S822 PolarHBondContact O-OG 2.81Å
819	G	71.6	Confident	69.3	Low	2 Å²	2	61.1 Å²	61.1	2%	0.021	29%	0.294	C	S	.	.	H	α-helix	trans	-67.4	-47.4	179	0	0	0	0	0	114.1	Y795 Y815 L816 I817 S822 S823	Y795-G819 VanDerWaalsContact CD1-CA 3.47Å; Y815-G819 WeakPolarHBondContact O-CA 3.47Å; Y815-G819 PolarHBondContact O-N 3.45Å; L816-G819 PolarHBondContact O-N 2.71Å; I817-G819 VanDerWaalsContact C-N 3.27Å; I817-G819 PolarHBondContact O-N 2.6Å; G819-S822 PolarHBondContact O-OG 2.91Å; G819-S823 VanDerWaalsContact O-CB 3.3Å; G819-S823 WeakPolarHBondContact O-CB 3.42Å; G819-S823 PolarHBondContact O-N 2.52Å; G819-S823 PolarHBondContact O-OG 3.34Å
820	I	74.1	Confident	71	Confident	11 Å²	11	54.9 Å²	54.9	6%	0.056	27%	0.268	C	S	.	.	H	α-helix	trans	-64.4	-45.5	176.2	-69.6	171.3	0	0	0	110.2	L816 S823 L824 W900 L908	L816-I820 HydrophobicContact CD1-CD1 3.58Å; L816-I820 HydrophobicContact CD1-CG1 4.03Å; L816-I820 HydrophobicContact CG-CD1 4.1Å; L816-I820 WeakPolarHBondContact O-CG1 3.22Å; L816-I820 PolarHBondContact O-N 3.43Å; I820-S823 PolarHBondContact O-N 2.77Å; I820-L824 HydrophobicContact CG2-CD1 3.81Å; I820-L824 HydrophobicContact CG2-CG 4.48Å; I820-L824 PolarHBondContact O-N 2.82Å; I820-W900 HydrophobicContact CD1-CH2 3.63Å; I820-W900 HydrophobicContact CD1-CZ3 3.61Å; I820-L908 HydrophobicContact CG2-CD1 4.04Å
821	H	76.7	Confident	72.6	Confident	43 Å²	43	46.3 Å²	46.3	20%	0.199	23%	0.231	C	C	.	.	H	α-helix	trans	-60.2	-48.7	179.1	-179.6	65.7	0	0	0	111.9	I817 S823 L824 Q825 Q907 D911	I817-H821 VanDerWaalsContact O-CB 3.32Å; I817-H821 WeakPolarHBondContact O-CB 3.16Å; I817-H821 PolarHBondContact O-N 2.92Å; I817-H821 VanDerWaalsContact O-N 3.09Å; H821-S823 VanDerWaalsContact C-N 3.31Å; H821-S823 PolarHBondContact O-N 2.91Å; H821-L824 PolarHBondContact O-N 3Å; H821-Q825 PolarHBondContact CE1-NE2 3.46Å; H821-Q825 VanDerWaalsContact CE1-NE2 3.3Å; H821-Q825 PolarHBondContact NE2-NE2 3.17Å; H821-Q825 WeakPolarHBondContact O-CG 3.03Å; H821-Q825 PolarHBondContact O-N 3.32Å; H821-Q907 HydrophobicContact CB-CG 4.38Å; H821-Q907 PolarHBondContact ND1-NE2 3.33Å; H821-Q907 VanDerWaalsContact ND1-NE2 3.17Å; H821-D911 WeakPolarHBondContact CA-OD2 3.09Å; H821-D911 WeakPolarHBondContact CB-OD2 3.16Å; H821-D911 IonicContact CE1-OD1 3.34Å; H821-D911 IonicContact CG-OD1 3.57Å; H821-D911 IonicContact CG-OD2 3.75Å; H821-D911 IonicContact ND1-OD1 2.83Å; H821-D911 PolarHBondContact ND1-OD1 3.07Å; H821-D911 IonicContact ND1-OD2 3.91Å
822	S	79.6	Confident	74	Confident	43 Å²	43	39.9 Å²	39.9	30%	0.301	21%	0.209	S	C	.	.	H	α-helix	trans	-63.1	-38.8	177.8	61.7	0	0	0	0	111.8	N818 G819 Q825 E826	N818-S822 VanDerWaalsContact O-CB 3.27Å; N818-S822 WeakPolarHBondContact O-CB 3.36Å; N818-S822 PolarHBondContact O-N 3.37Å; N818-S822 PolarHBondContact O-OG 2.81Å; G819-S822 PolarHBondContact O-OG 2.91Å; S822-Q825 PolarHBondContact O-N 2.72Å; S822-E826 WeakPolarHBondContact O-CB 3.49Å; S822-E826 PolarHBondContact O-N 3.08Å
823	S	81.1	Confident	75.4	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.6	-44.1	177.6	-58.3	0	0	0	0	112.2	P791 Y795 G819 I820 H821 E826 V827	P791-S823 PolarHBondContact O-OG 3.45Å; Y795-S823 WeakPolarHBondContact CD2-OG 3.49Å; Y795-S823 WeakPolarHBondContact CE2-OG 3.44Å; G819-S823 VanDerWaalsContact O-CB 3.3Å; G819-S823 WeakPolarHBondContact O-CB 3.42Å; G819-S823 PolarHBondContact O-N 2.52Å; G819-S823 PolarHBondContact O-OG 3.34Å; I820-S823 PolarHBondContact O-N 2.77Å; H821-S823 VanDerWaalsContact C-N 3.31Å; H821-S823 PolarHBondContact O-N 2.91Å; S823-E826 PolarHBondContact O-N 3.44Å; S823-V827 WeakPolarHBondContact O-CG2 3.42Å; S823-V827 PolarHBondContact O-N 3.34Å
824	L	80	Confident	76.7	Confident	8 Å²	8	39.6 Å²	39.6	4%	0.042	21%	0.205	C	C	.	.	H	α-helix	trans	-68.9	-35.7	178.4	-75.2	169.4	0	0	0	112	L792 I820 H821 E826 V827 L828 I888 D911 M915	L792-L824 HydrophobicContact CD1-CD2 4.36Å; L792-L824 HydrophobicContact CD2-CD2 3.76Å; L792-L824 HydrophobicContact CD2-CG 3.89Å; I820-L824 HydrophobicContact CG2-CD1 3.81Å; I820-L824 HydrophobicContact CG2-CG 4.48Å; I820-L824 PolarHBondContact O-N 2.82Å; H821-L824 PolarHBondContact O-N 3Å; L824-E826 VanDerWaalsContact C-N 3.33Å; L824-V827 PolarHBondContact O-N 3.43Å; L824-L828 WeakPolarHBondContact O-CG 2.99Å; L824-L828 PolarHBondContact O-N 2.95Å; L824-I888 HydrophobicContact CD2-CD1 4.23Å; L824-D911 HydrophobicContact CD1-CB 3.39Å; L824-M915 HydrophobicContact CD2-CE 3.87Å; L824-M915 HydrophobicContact CD2-CG 4.38Å; L824-M915 HydrophobicContact CD2-SD 3.84Å
825	Q	79	Confident	77.7	Confident	59 Å²	59	35.9 Å²	35.9	28%	0.276	19%	0.185	S	C	.	.	H	α-helix	trans	-61.3	-43.1	170.6	-78.3	-177.1	-16.9	0	0	111.8	H821 S822 L828 A829	H821-Q825 PolarHBondContact CE1-NE2 3.46Å; H821-Q825 VanDerWaalsContact CE1-NE2 3.3Å; H821-Q825 PolarHBondContact NE2-NE2 3.17Å; H821-Q825 WeakPolarHBondContact O-CG 3.03Å; H821-Q825 PolarHBondContact O-N 3.32Å; S822-Q825 PolarHBondContact O-N 2.72Å; Q825-L828 PolarHBondContact O-N 3.4Å; Q825-A829 WeakPolarHBondContact O-CB 3.5Å; Q825-A829 PolarHBondContact O-N 3.1Å
826	E	81.9	Confident	78.5	Confident	104 Å²	104	31.8 Å²	31.8	49%	0.486	18%	0.178	S	C	.	.	H	α-helix	trans	-64.9	-41.7	177.1	-171.4	168.5	-172.3	0	0	111.8	P791 S822 S823 L824 L828 A829 N830	P791-E826 HydrophobicContact CB-CB 4.26Å; P791-E826 HydrophobicContact CB-CG 4.27Å; P791-E826 HydrophobicContact CG-CB 4.3Å; P791-E826 HydrophobicContact CG-CG 3.86Å; S822-E826 WeakPolarHBondContact O-CB 3.49Å; S822-E826 PolarHBondContact O-N 3.08Å; S823-E826 PolarHBondContact O-N 3.44Å; L824-E826 VanDerWaalsContact C-N 3.33Å; E826-L828 PolarHBondContact O-N 2.94Å; E826-A829 PolarHBondContact O-N 3.47Å; E826-N830 VanDerWaalsContact O-CB 3.32Å; E826-N830 WeakPolarHBondContact O-CB 3.33Å; E826-N830 PolarHBondContact O-N 3.48Å; E826-N830 PolarHBondContact O-ND2 3.33Å
827	V	84.8	Confident	79.5	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-56.8	-48.4	172.8	169.5	0	0	0	0	111.4	L788 L792 S823 L824 A829 N830 L831 L884	L788-V827 HydrophobicContact CD1-CB 4.48Å; L788-V827 HydrophobicContact CD1-CG1 3.91Å; L788-V827 WeakPolarHBondContact CD1-O 3.31Å; L788-V827 HydrophobicContact CG-CG1 4.09Å; L788-V827 WeakPolarHBondContact O-CG2 3.34Å; L792-V827 HydrophobicContact CD1-CG2 3.88Å; L792-V827 HydrophobicContact CD2-CG2 4.41Å; L792-V827 HydrophobicContact CG-CG2 3.77Å; S823-V827 WeakPolarHBondContact O-CG2 3.42Å; S823-V827 PolarHBondContact O-N 3.34Å; L824-V827 PolarHBondContact O-N 3.43Å; V827-A829 PolarHBondContact O-N 3Å; V827-N830 PolarHBondContact O-N 3.33Å; V827-L831 PolarHBondContact O-N 3.41Å; V827-L884 HydrophobicContact CG1-CD1 3.8Å; V827-L884 HydrophobicContact CG1-CD2 3.62Å; V827-L884 HydrophobicContact CG1-CG 4.38Å
828	L	79.4	Confident	80.4	Confident	7 Å²	7	31.3 Å²	31.3	4%	0.037	18%	0.175	C	C	.	.	H	α-helix	trans	-65.9	-38	179.5	-71	172.5	0	0	0	112.2	L824 Q825 E826 N830 L831 S832 M915 I918 L919 M969	L824-L828 WeakPolarHBondContact O-CG 2.99Å; L824-L828 PolarHBondContact O-N 2.95Å; Q825-L828 PolarHBondContact O-N 3.4Å; E826-L828 PolarHBondContact O-N 2.94Å; L828-N830 VanDerWaalsContact C-N 3.35Å; L828-L831 HydrophobicContact CD2-CD1 4.29Å; L828-L831 PolarHBondContact O-N 3.08Å; L828-S832 PolarHBondContact O-N 3.45Å; L828-M915 HydrophobicContact CD1-CG 4.29Å; L828-M915 HydrophobicContact CD2-CG 4.31Å; L828-M915 HydrophobicContact CD2-SD 4.02Å; L828-M915 HydrophobicContact CG-CG 4.46Å; L828-M915 HydrophobicContact CG-SD 4.27Å; L828-I918 HydrophobicContact CD1-CD1 3.89Å; L828-I918 HydrophobicContact CD2-CG2 4.45Å; L828-L919 HydrophobicContact CD2-CD1 4.23Å; L828-L919 HydrophobicContact CD2-CD2 4.29Å; L828-L919 HydrophobicContact CD2-CG 4.1Å; L828-M969 HydrophobicContact CB-CE 3.42Å; L828-M969 VanDerWaalsContact CB-CE 3.42Å; L828-M969 HydrophobicContact CB-SD 3.66Å; L828-M969 HydrophobicContact CD1-CE 3.84Å; L828-M969 HydrophobicContact CD1-SD 4.02Å; L828-M969 HydrophobicContact CG-CE 4.29Å; L828-M969 HydrophobicContact CG-SD 4.36Å
829	A	78.8	Confident	80.9	Confident	45 Å²	45	28.9 Å²	28.9	37%	0.372	16%	0.161	S	C	.	.	H	α-helix	trans	-63.3	-42.1	172.4	0	0	0	0	0	111.3	Q825 E826 V827 L831 S832 H833	Q825-A829 WeakPolarHBondContact O-CB 3.5Å; Q825-A829 PolarHBondContact O-N 3.1Å; E826-A829 PolarHBondContact O-N 3.47Å; V827-A829 PolarHBondContact O-N 3Å; A829-L831 VanDerWaalsContact C-N 3.33Å; A829-L831 PolarHBondContact O-N 3.11Å; A829-S832 WeakPolarHBondContact O-CB 3.49Å; A829-S832 PolarHBondContact O-N 3.46Å; A829-S832 PolarHBondContact O-OG 3.41Å; A829-H833 PolarHBondContact O-N 3.04Å
830	N	84.9	Confident	81.4	Confident	26 Å²	26	33 Å²	33	14%	0.139	18%	0.182	C	C	.	.	H	α-helix	trans	-65.5	-33.3	176.8	-74	-17.2	0	0	0	112.6	W787 L788 E826 V827 L828 S832 H833 I834	W787-N830 HydrophobicContact CH2-CB 3.71Å; W787-N830 VanDerWaalsContact CH2-CG 3.44Å; W787-N830 WeakPolarHBondContact CH2-OD1 3.45Å; W787-N830 HydrophobicContact CZ3-CB 3.64Å; L788-N830 HydrophobicContact CD1-CB 3.67Å; E826-N830 VanDerWaalsContact O-CB 3.32Å; E826-N830 WeakPolarHBondContact O-CB 3.33Å; E826-N830 PolarHBondContact O-N 3.48Å; E826-N830 PolarHBondContact O-ND2 3.33Å; V827-N830 PolarHBondContact O-N 3.33Å; L828-N830 VanDerWaalsContact C-N 3.35Å; N830-S832 VanDerWaalsContact C-N 3.27Å; N830-S832 PolarHBondContact O-N 2.92Å; N830-H833 WeakPolarHBondContact O-CB 3.31Å; N830-H833 PolarHBondContact O-N 3.37Å; N830-I834 WeakPolarHBondContact O-CG1 3.3Å; N830-I834 PolarHBondContact O-N 3.01Å
831	L	83.6	Confident	81.9	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.7	-34.7	169.8	-76.4	170.2	0	0	0	112.3	L788 V827 L828 A829 H833 I834 Y835 F877 I880 L884 L919 L972	L788-L831 HydrophobicContact CD1-CD2 4.34Å; L788-L831 HydrophobicContact CD1-CG 4.05Å; L788-L831 HydrophobicContact CD2-CD2 3.64Å; L788-L831 HydrophobicContact CD2-CG 4.08Å; V827-L831 PolarHBondContact O-N 3.41Å; L828-L831 HydrophobicContact CD2-CD1 4.29Å; L828-L831 PolarHBondContact O-N 3.08Å; A829-L831 VanDerWaalsContact C-N 3.33Å; A829-L831 PolarHBondContact O-N 3.11Å; L831-H833 VanDerWaalsContact C-N 3.33Å; L831-I834 HydrophobicContact CD2-CD1 4.32Å; L831-I834 PolarHBondContact O-N 3.48Å; L831-Y835 WeakPolarHBondContact O-CB 3.37Å; L831-Y835 PolarHBondContact O-N 3.26Å; L831-F877 HydrophobicContact CD2-CD1 4.44Å; L831-F877 HydrophobicContact CD2-CE1 4.01Å; L831-I880 HydrophobicContact CD2-CG2 4.04Å; L831-L884 HydrophobicContact CD1-CD2 4.45Å; L831-L919 HydrophobicContact CD1-CD1 4.12Å; L831-L919 HydrophobicContact CD1-CD2 3.92Å; L831-L972 VanDerWaalsContact C-CD1 3.4Å; L831-L972 HydrophobicContact CB-CD1 3.79Å
832	S	78.6	Confident	82.1	Confident	47 Å²	47	30.7 Å²	30.7	33%	0.329	17%	0.172	S	C	.	.	H	α-helix	trans	-67.3	-36.9	175.6	80	0	0	0	0	112.1	L828 A829 N830 Y835 S836	L828-S832 PolarHBondContact O-N 3.45Å; A829-S832 WeakPolarHBondContact O-CB 3.49Å; A829-S832 PolarHBondContact O-N 3.46Å; A829-S832 PolarHBondContact O-OG 3.41Å; N830-S832 VanDerWaalsContact C-N 3.27Å; N830-S832 PolarHBondContact O-N 2.92Å; S832-Y835 PolarHBondContact O-N 3.1Å; S832-S836 PolarHBondContact O-N 2.76Å; S832-S836 VanDerWaalsContact O-N 3.08Å; S832-S836 PolarHBondContact O-OG 3.27Å
833	H	81.8	Confident	81.9	Confident	67 Å²	67	28.8 Å²	28.8	31%	0.31	16%	0.159	S	C	.	.	H	α-helix	trans	-65	-47.9	173.5	-174.9	-88.7	0	0	0	111.2	R784 A829 N830 L831 Y835 S836 E837	R784-H833 PolarHBondContact NH2-CE1 3.43Å; R784-H833 PolarHBondContact NH2-ND1 3.5Å; A829-H833 PolarHBondContact O-N 3.04Å; N830-H833 WeakPolarHBondContact O-CB 3.31Å; N830-H833 PolarHBondContact O-N 3.37Å; L831-H833 VanDerWaalsContact C-N 3.33Å; H833-Y835 VanDerWaalsContact C-N 3.29Å; H833-Y835 PolarHBondContact O-N 3.23Å; H833-S836 PolarHBondContact O-N 3.01Å; H833-S836 PolarHBondContact O-OG 3.33Å; H833-E837 IonicContact CE1-OE1 3.68Å; H833-E837 PolarHBondContact CE1-OE1 3.15Å; H833-E837 IonicContact CE1-OE2 2.71Å; H833-E837 IonicContact ND1-OE1 2.71Å; H833-E837 IonicContact ND1-OE2 3.92Å; H833-E837 IonicContact NE2-OE1 2.75Å; H833-E837 PolarHBondContact O-N 2.94Å
834	I	86.4	Confident	81.1	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-55.4	-45.7	175.5	-68.2	164.9	0	0	0	110.7	R784 W787 L788 N830 L831 S836 E837 L838 F877 I880	R784-I834 HydrophobicContact CG-CD1 3.81Å; R784-I834 HydrophobicContact CG-CG1 3.92Å; W787-I834 HydrophobicContact CZ3-CD1 4.29Å; W787-I834 HydrophobicContact CZ3-CG1 4.33Å; L788-I834 HydrophobicContact CD1-CD1 4.14Å; L788-I834 HydrophobicContact CD2-CD1 4.41Å; N830-I834 WeakPolarHBondContact O-CG1 3.3Å; N830-I834 PolarHBondContact O-N 3.01Å; L831-I834 HydrophobicContact CD2-CD1 4.32Å; L831-I834 PolarHBondContact O-N 3.48Å; I834-S836 PolarHBondContact O-N 3.18Å; I834-E837 PolarHBondContact O-N 2.97Å; I834-L838 HydrophobicContact CG2-CD1 3.69Å; I834-L838 HydrophobicContact CG2-CG 4.24Å; I834-L838 WeakPolarHBondContact O-CB 3.22Å; I834-L838 VanDerWaalsContact O-CG 3.3Å; I834-L838 WeakPolarHBondContact O-CG 3.36Å; I834-L838 PolarHBondContact O-N 3.36Å; I834-F877 HydrophobicContact CB-CZ 4.41Å; I834-F877 HydrophobicContact CG2-CE1 4.35Å; I834-F877 HydrophobicContact CG2-CE2 4.48Å; I834-F877 HydrophobicContact CG2-CZ 3.91Å; I834-I880 HydrophobicContact CG2-CD1 4Å
835	Y	83.3	Confident	80.4	Confident	21 Å²	21	36.6 Å²	36.6	8%	0.082	20%	0.197	C	C	.	.	H	α-helix	trans	-59.2	-47.2	178.9	179.4	-107	0	0	0	111.8	L831 S832 H833 E837 L838 I839 F877 G975 L976 L979	L831-Y835 WeakPolarHBondContact O-CB 3.37Å; L831-Y835 PolarHBondContact O-N 3.26Å; S832-Y835 PolarHBondContact O-N 3.1Å; H833-Y835 VanDerWaalsContact C-N 3.29Å; H833-Y835 PolarHBondContact O-N 3.23Å; Y835-E837 PolarHBondContact O-N 3.21Å; Y835-L838 PolarHBondContact O-N 3.44Å; Y835-I839 HydrophobicContact CD1-CD1 3.69Å; Y835-I839 HydrophobicContact CD2-CD1 4.31Å; Y835-I839 HydrophobicContact CE1-CD1 3.12Å; Y835-I839 HydrophobicContact CE1-CG1 4.32Å; Y835-I839 HydrophobicContact CE2-CD1 3.81Å; Y835-I839 HydrophobicContact CE2-CG1 4.23Å; Y835-I839 HydrophobicContact CG-CD1 4.24Å; Y835-I839 WeakPolarHBondContact O-CG1 3.43Å; Y835-I839 PolarHBondContact O-N 3.19Å; Y835-I839 VanDerWaalsContact O-N 3.12Å; Y835-I839 WeakPolarHBondContact OH-CD1 3.25Å; Y835-F877 AromaticContact CD2-CE2 3.78Å; Y835-F877 HydrophobicContact CD2-CE2 3.78Å; Y835-F877 HydrophobicContact CD2-CZ 4.05Å; Y835-F877 HydrophobicContact CG-CE2 4.44Å; Y835-F877 HydrophobicContact CG-CZ 4.32Å; Y835-G975 VanDerWaalsContact CE1-CA 3.41Å; Y835-G975 WeakPolarHBondContact OH-CA 3.49Å; Y835-G975 PolarHBondContact OH-O 3.44Å; Y835-L976 HydrophobicContact CD2-CD2 3.81Å; Y835-L976 HydrophobicContact CD2-CG 4.45Å; Y835-L976 HydrophobicContact CE2-CD2 4.19Å; Y835-L979 HydrophobicContact CE2-CD1 3.96Å; Y835-L979 HydrophobicContact CE2-CD2 4.35Å; Y835-L979 HydrophobicContact CE2-CG 4.15Å
836	S	81.7	Confident	79.5	Confident	62 Å²	62	33.9 Å²	33.9	43%	0.434	18%	0.184	S	C	.	.	H	α-helix	trans	-63.5	-39.5	179.5	65.9	0	0	0	0	113	S832 H833 I834 L840	S832-S836 PolarHBondContact O-N 2.76Å; S832-S836 VanDerWaalsContact O-N 3.08Å; S832-S836 PolarHBondContact O-OG 3.27Å; H833-S836 PolarHBondContact O-N 3.01Å; H833-S836 PolarHBondContact O-OG 3.33Å; I834-S836 PolarHBondContact O-N 3.18Å; S836-L840 WeakPolarHBondContact O-CB 3.44Å; S836-L840 PolarHBondContact O-N 3.01Å; S836-L840 VanDerWaalsContact O-N 3.07Å
837	E	84.7	Confident	78.3	Confident	19 Å²	19	30.7 Å²	30.7	9%	0.089	17%	0.17	C	C	.	.	H	α-helix	trans	-68.4	-42.2	177.2	-75.6	-172.5	148.3	0	0	112.4	R784 H833 I834 Y835 I839 L840 L841	R784-E837 IonicContact CZ-OE2 3.1Å; R784-E837 IonicContact NE-OE2 3.98Å; R784-E837 IonicContact NH2-OE1 3.65Å; R784-E837 IonicContact NH2-OE2 3.89Å; R784-E837 PolarHBondContact NH2-OE2 3.02Å; H833-E837 IonicContact CE1-OE1 3.68Å; H833-E837 PolarHBondContact CE1-OE1 3.15Å; H833-E837 IonicContact CE1-OE2 2.71Å; H833-E837 IonicContact ND1-OE1 2.71Å; H833-E837 IonicContact ND1-OE2 3.92Å; H833-E837 IonicContact NE2-OE1 2.75Å; H833-E837 PolarHBondContact O-N 2.94Å; I834-E837 PolarHBondContact O-N 2.97Å; Y835-E837 PolarHBondContact O-N 3.21Å; E837-I839 VanDerWaalsContact C-N 3.34Å; E837-I839 PolarHBondContact O-N 3.18Å; E837-L840 PolarHBondContact O-N 3.05Å; E837-L841 WeakPolarHBondContact O-CB 3.5Å; E837-L841 PolarHBondContact O-N 3.26Å
838	L	85.7	Confident	76.8	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.5	-43.1	178.3	-72.3	171.9	0	0	0	111.3	L729 Y780 I834 Y835 I842 I873 I876 F877	L729-L838 HydrophobicContact CD1-CD2 3.72Å; L729-L838 HydrophobicContact CD2-CD2 3.93Å; Y780-L838 HydrophobicContact CE1-CD2 4.01Å; I834-L838 HydrophobicContact CG2-CD1 3.69Å; I834-L838 HydrophobicContact CG2-CG 4.24Å; I834-L838 WeakPolarHBondContact O-CB 3.22Å; I834-L838 VanDerWaalsContact O-CG 3.3Å; I834-L838 WeakPolarHBondContact O-CG 3.36Å; I834-L838 PolarHBondContact O-N 3.36Å; Y835-L838 PolarHBondContact O-N 3.44Å; L838-I842 HydrophobicContact CB-CD1 4.34Å; L838-I842 HydrophobicContact CD2-CD1 3.54Å; L838-I842 VanDerWaalsContact O-CB 3.25Å; L838-I842 WeakPolarHBondContact O-CB 3.32Å; L838-I842 PolarHBondContact O-N 3.48Å; L838-I873 HydrophobicContact CB-CD1 4.4Å; L838-I873 HydrophobicContact CB-CG1 4.3Å; L838-I873 HydrophobicContact CB-CG2 4.29Å; L838-I873 HydrophobicContact CD1-CG2 4.27Å; L838-I876 HydrophobicContact CD1-CG2 3.95Å; L838-I876 HydrophobicContact CD2-CD1 4.04Å; L838-I876 HydrophobicContact CD2-CG2 4.24Å; L838-F877 HydrophobicContact CD1-CD2 3.94Å; L838-F877 HydrophobicContact CD1-CE2 3.47Å; L838-F877 VanDerWaalsContact CD1-CE2 3.47Å; L838-F877 HydrophobicContact CD1-CZ 4.18Å
839	I	81.4	Confident	75.4	Confident	42 Å²	42	37.1 Å²	37.1	22%	0.215	20%	0.201	C	C	.	.	H	α-helix	trans	-63.3	-44.9	174.6	-66	162.1	0	0	0	111.2	Y835 E837 L841 G843 L844 I873	Y835-I839 HydrophobicContact CD1-CD1 3.69Å; Y835-I839 HydrophobicContact CD2-CD1 4.31Å; Y835-I839 HydrophobicContact CE1-CD1 3.12Å; Y835-I839 HydrophobicContact CE1-CG1 4.32Å; Y835-I839 HydrophobicContact CE2-CD1 3.81Å; Y835-I839 HydrophobicContact CE2-CG1 4.23Å; Y835-I839 HydrophobicContact CG-CD1 4.24Å; Y835-I839 WeakPolarHBondContact O-CG1 3.43Å; Y835-I839 PolarHBondContact O-N 3.19Å; Y835-I839 VanDerWaalsContact O-N 3.12Å; Y835-I839 WeakPolarHBondContact OH-CD1 3.25Å; E837-I839 VanDerWaalsContact C-N 3.34Å; E837-I839 PolarHBondContact O-N 3.18Å; I839-L841 PolarHBondContact O-N 2.94Å; I839-G843 WeakPolarHBondContact O-CA 3.39Å; I839-G843 PolarHBondContact O-N 3.05Å; I839-L844 HydrophobicContact CG2-CD2 4.13Å; I839-I873 HydrophobicContact CG1-CD1 4.24Å
840	L	82.4	Confident	73.7	Confident	89 Å²	89	37.5 Å²	37.5	47%	0.466	20%	0.201	S	C	.	.	H	α-helix	trans	-67.2	-37.7	-174.3	-173.3	134.5	0	0	0	112	L614 S836 E837	L614-L840 HydrophobicContact CD2-CD2 4.07Å; S836-L840 WeakPolarHBondContact O-CB 3.44Å; S836-L840 PolarHBondContact O-N 3.01Å; S836-L840 VanDerWaalsContact O-N 3.07Å; E837-L840 PolarHBondContact O-N 3.05Å
841	L	84.3	Confident	71.5	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-99.3	-29.2	-174	-69.5	-179	0	0	0	115.1	L614 G619 G620 R726 L729 L730 N733 E837 I839	L614-L841 HydrophobicContact CD2-CD2 4.13Å; G619-L841 WeakPolarHBondContact CA-O 3.42Å; G620-L841 PolarHBondContact N-O 2.83Å; R726-L841 HydrophobicContact CG-CD1 3.52Å; L729-L841 HydrophobicContact CB-CD1 4.3Å; L729-L841 HydrophobicContact CD2-CB 3.74Å; L729-L841 HydrophobicContact CD2-CD1 3.81Å; L729-L841 HydrophobicContact CD2-CG 4.33Å; L729-L841 HydrophobicContact CG-CB 3.9Å; L729-L841 HydrophobicContact CG-CD1 4.14Å; L730-L841 HydrophobicContact CD2-CD1 4.49Å; L730-L841 HydrophobicContact CD2-CD2 3.75Å; L730-L841 HydrophobicContact CG-CD1 4.32Å; L730-L841 HydrophobicContact CG-CD2 4.42Å; N733-L841 PolarHBondContact ND2-O 2.85Å; E837-L841 WeakPolarHBondContact O-CB 3.5Å; E837-L841 PolarHBondContact O-N 3.26Å; I839-L841 PolarHBondContact O-N 2.94Å
842	I	80.4	Confident	69.2	Low	4 Å²	4	42.2 Å²	42.2	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-91.4	-23.9	174.3	-55.2	169.3	0	0	0	110.9	L729 L838 I871 I873 I876	L729-I842 HydrophobicContact CD1-CD1 3.7Å; L729-I842 HydrophobicContact CD1-CG1 3.68Å; L729-I842 HydrophobicContact CG-CG1 4.41Å; L838-I842 HydrophobicContact CB-CD1 4.34Å; L838-I842 HydrophobicContact CD2-CD1 3.54Å; L838-I842 VanDerWaalsContact O-CB 3.25Å; L838-I842 WeakPolarHBondContact O-CB 3.32Å; L838-I842 PolarHBondContact O-N 3.48Å; I842-I871 HydrophobicContact CD1-CG2 3.97Å; I842-I871 HydrophobicContact CG2-CB 4.34Å; I842-I871 HydrophobicContact CG2-CG2 3.92Å; I842-I873 HydrophobicContact CD1-CG1 4.24Å; I842-I876 HydrophobicContact CD1-CD1 3.76Å
843	G	74.8	Confident	66.9	Low	3 Å²	3	44.6 Å²	44.6	3%	0.031	25%	0.253	C	S	.	.			trans	81.2	172.8	-179.4	0	0	0	0	0	114.2	I839 S846	I839-G843 WeakPolarHBondContact O-CA 3.39Å; I839-G843 PolarHBondContact O-N 3.05Å; G843-S846 PolarHBondContact O-OG 2.88Å
844	L	66.1	Low	64.4	Low	95 Å²	95	51.2 Å²	51.2	50%	0.497	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-22.8	-170.3	-68.8	169.2	0	0	0	114.3	T617 I839 S846 I847	T617-L844 PolarHBondContact O-N 3.45Å; I839-L844 HydrophobicContact CG2-CD2 4.13Å; L844-S846 PolarHBondContact O-N 3.41Å; L844-I847 HydrophobicContact CD2-CD1 3.86Å; L844-I847 WeakPolarHBondContact O-CB 3.42Å; L844-I847 PolarHBondContact O-N 3.43Å
845	K	64.6	Low	61.5	Low	78 Å²	78	61.7 Å²	61.7	34%	0.339	32%	0.316	S	S	.	.	H	α-helix	trans	-61.6	-31.5	180	-78.6	-179.4	-175.7	160.1	0	112.8	D618 I847 Q848 S849	D618-K845 VanDerWaalsContact CG-NZ 3.28Å; D618-K845 WeakPolarHBondContact OD1-CD 3.41Å; D618-K845 WeakPolarHBondContact OD1-CE 3.36Å; D618-K845 IonicContact OD1-NZ 3.71Å; D618-K845 PolarHBondContact OD1-NZ 3.41Å; D618-K845 IonicContact OD2-NZ 2.76Å; D618-K845 PolarHBondContact OD2-NZ 3.43Å; K845-I847 PolarHBondContact O-N 3.4Å; K845-I847 VanDerWaalsContact O-N 3.16Å; K845-Q848 PolarHBondContact O-N 3.31Å; K845-S849 PolarHBondContact O-N 2.95Å
846	S	59.9	Low	58.9	Low	1 Å²	1	64.5 Å²	64.5	1%	0.007	34%	0.339	C	S	.	.	H	α-helix	trans	-63.5	-15.5	175.8	65.7	0	0	0	0	114.2	G843 L844 S849 I871 I873	G843-S846 PolarHBondContact O-OG 2.88Å; L844-S846 PolarHBondContact O-N 3.41Å; S846-S849 PolarHBondContact O-OG 3.06Å; S846-I871 VanDerWaalsContact CB-O 3.26Å; S846-I871 WeakPolarHBondContact CB-O 3.15Å; S846-I873 WeakPolarHBondContact OG-CD1 3.33Å; S846-I873 VanDerWaalsContact OG-CG1 3.28Å; S846-I873 WeakPolarHBondContact OG-CG1 3.19Å
847	I	57	Low	56.2	Low	37 Å²	37	69.8 Å²	69.8	19%	0.19	36%	0.362	C	S	.	.	H	α-helix	trans	-82.7	-34.1	172.6	-53.9	178.7	0	0	0	110.4	L844 K845 I873 L979	L844-I847 HydrophobicContact CD2-CD1 3.86Å; L844-I847 WeakPolarHBondContact O-CB 3.42Å; L844-I847 PolarHBondContact O-N 3.43Å; K845-I847 PolarHBondContact O-N 3.4Å; K845-I847 VanDerWaalsContact O-N 3.16Å; I847-I873 HydrophobicContact CG1-CD1 4.19Å; I847-L979 HydrophobicContact CB-CD2 4.27Å; I847-L979 HydrophobicContact CD1-CD2 4.1Å; I847-L979 HydrophobicContact CG1-CD2 3.72Å; I847-L979 HydrophobicContact CG2-CD2 3.9Å
848	Q	52.9	Low	53.4	Low	127 Å²	127	73.1 Å²	73.1	59%	0.593	39%	0.388	S	S	*	.	H	α-helix	trans	-82.6	-25.9	-174.6	-64.6	-178.9	-11	0	0	113	K845 S850 S851	K845-Q848 PolarHBondContact O-N 3.31Å; Q848-S850 PolarHBondContact O-N 3.44Å; Q848-S851 WeakPolarHBondContact O-CB 3.36Å; Q848-S851 PolarHBondContact O-N 3.32Å; Q848-S851 PolarHBondContact O-OG 3.41Å
849	S	49.1	Very low	50.7	Low	16 Å²	16	80.1 Å²	80.1	11%	0.112	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-57.6	-34.1	-175.3	54.4	0	0	0	0	113.5	K845 S846 S851 S852 C869	K845-S849 PolarHBondContact O-N 2.95Å; S846-S849 PolarHBondContact O-OG 3.06Å; S849-S851 PolarHBondContact O-N 3.35Å; S849-S851 VanDerWaalsContact O-N 3.08Å; S849-S852 PolarHBondContact O-N 2.88Å; S849-S852 PolarHBondContact O-OG 2.91Å; S849-C869 WeakPolarHBondContact CB-O 3.48Å; S849-C869 PolarHBondContact OG-O 2.91Å
850	S	43.6	Very low	48.2	Very low	53 Å²	53	85.1 Å²	85.1	37%	0.371	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-59.1	-20.6	174.3	-55.7	0	0	0	0	114.3	Q848	Q848-S850 PolarHBondContact O-N 3.44Å
851	S	40.2	Very low	45.7	Very low	72 Å²	72	90.1 Å²	90.1	50%	0.503	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-81.7	-24.2	-178	69.4	0	0	0	0	114.3	Q848 S849	Q848-S851 WeakPolarHBondContact O-CB 3.36Å; Q848-S851 PolarHBondContact O-N 3.32Å; Q848-S851 PolarHBondContact O-OG 3.41Å; S849-S851 PolarHBondContact O-N 3.35Å; S849-S851 VanDerWaalsContact O-N 3.08Å
852	S	33.9	Very low	43.2	Very low	53 Å²	53	94.3 Å²	94.3	37%	0.371	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	-91.7	-14.5	-168.8	68.6	0	0	0	0	115.1	S849 Y854	S849-S852 PolarHBondContact O-N 2.88Å; S849-S852 PolarHBondContact O-OG 2.91Å; S852-Y854 PolarHBondContact O-N 2.92Å
853	S	30.5	Very low	41.1	Very low	96 Å²	96	101.6 Å²	101.6	67%	0.671	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-64.4	-11.6	178	-51.7	0	0	0	0	113.9
854	Y	29.1	Very low	39.4	Very low	206 Å²	206	107.5 Å²	107.5	81%	0.808	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-122.8	54.9	179	-71	-80.9	0	0	0	112.6	S852	S852-Y854 PolarHBondContact O-N 2.92Å
855	R	25.8	Very low	38.4	Very low	220 Å²	220	113 Å²	113	83%	0.83	59%	0.591	S	S	*	*			trans	-167.8	111.6	156.1	-107.6	158.3	-166.3	-153.9	3.7	112.5
856	S	27.9	Very low	37.7	Very low	81 Å²	81	117.5 Å²	117.5	57%	0.566	61%	0.61	S	S	*	*				142.1	102.2	122.3	64.1	0	0	0	0	113.1	S858	S856-S858 PolarHBondContact O-N 2.89Å
857	N	25.1	Very low	37.3	Very low	172 Å²	172	120.1 Å²	120.1	92%	0.92	63%	0.627	S	S	*	*			trans	-77.1	32.2	156.6	-90.4	-15.2	0	0	0	111.2	I859	N857-I859 PolarHBondContact O-N 3.27Å
858	S	27.1	Very low	37.2	Very low	90 Å²	90	123.3 Å²	123.3	63%	0.629	64%	0.644	S	S	*	*			trans	-89.6	92	175.8	64.2	0	0	0	0	109.9	S856 N860	S856-S858 PolarHBondContact O-N 2.89Å; S858-N860 PolarHBondContact O-N 3.39Å
859	I	29	Very low	37.4	Very low	147 Å²	147	118.2 Å²	118.2	75%	0.754	62%	0.622	S	S	*	*			trans	-45.8	122.1	159.5	-65.9	152.6	0	0	0	108.8	N857	N857-I859 PolarHBondContact O-N 3.27Å
860	N	27.9	Very low	38.2	Very low	147 Å²	147	121 Å²	121	79%	0.786	64%	0.641	S	S	*	*			trans	131	17.6	156.5	-66	-24.1	0	0	0	120.2	S858	S858-N860 PolarHBondContact O-N 3.39Å
861	E	29.6	Very low	39.5	Very low	193 Å²	193	118.9 Å²	118.9	90%	0.902	63%	0.626	S	S	*	*	S	Bend	trans	-110.2	112.1	159.2	-76.4	-175.5	177.1	0	0	110.3	N863	E861-N863 PolarHBondContact O-N 3.06Å; E861-N863 VanDerWaalsContact O-N 3.12Å
862	A	31.7	Very low	41.2	Very low	89 Å²	89	116.5 Å²	116.5	74%	0.736	61%	0.609	S	S	*	*			trans	-56.4	110.9	-177.7	0	0	0	0	0	110.9	D864	A862-D864 PolarHBondContact O-N 3.48Å
863	N	37.6	Very low	43.4	Very low	158 Å²	158	114 Å²	114	85%	0.845	59%	0.591	S	S	*	*	S	Bend	trans	46.5	-1.4	149.8	-84.6	-2.1	0	0	0	122.7	E861 R865	E861-N863 PolarHBondContact O-N 3.06Å; E861-N863 VanDerWaalsContact O-N 3.12Å; N863-R865 PolarHBondContact O-N 3.45Å
864	D	39.6	Very low	45.6	Very low	127 Å²	127	111.6 Å²	111.6	68%	0.679	57%	0.569	S	S	*	*			trans	-91.5	44.3	176.6	-76.9	-14.9	0	0	0	112	A862 K866	A862-D864 PolarHBondContact O-N 3.48Å; D864-K866 PolarHBondContact O-N 2.8Å
865	R	44.4	Very low	48.1	Very low	209 Å²	209	106.2 Å²	106.2	79%	0.789	55%	0.552	S	S	*	*			trans	-65.5	100.8	168.9	-74.6	-174.3	-179.8	-178	-0.8	107.9	N863	N863-R865 PolarHBondContact O-N 3.45Å
866	K	48.8	Very low	51	Low	174 Å²	174	95.8 Å²	95.8	76%	0.757	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-49	133.7	168.2	-76.9	-179	177.8	176.5	0	108.7	D864 I868	D864-K866 PolarHBondContact O-N 2.8Å; K866-I868 PolarHBondContact O-N 3.09Å
867	P	52	Low	53.7	Low	56 Å²	56	92 Å²	92	36%	0.364	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-59.1	129.3	179.6	20.7	-28.9	0	0	0	109.7	C740	C740-P867 HydrophobicContact CB-CB 4.36Å; C740-P867 HydrophobicContact CB-CG 4.07Å; C740-P867 WeakPolarHBondContact O-CG 3.5Å
868	I	55.7	Low	56.6	Low	104 Å²	104	85 Å²	85	53%	0.533	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-84.9	129	178.8	-59.3	165.5	0	0	0	106.5	K866 S870	K866-I868 PolarHBondContact O-N 3.09Å; I868-S870 PolarHBondContact O-N 2.74Å
869	C	57.9	Low	59.5	Low	20 Å²	20	83.9 Å²	83.9	14%	0.135	43%	0.432	C	S	.	.			trans	-55.2	115.3	171.7	178	0	0	0	0	109	E736 S849 I871	E736-C869 VanDerWaalsContact OE1-C 3.31Å; E736-C869 WeakPolarHBondContact OE1-CA 3.48Å; E736-C869 PolarHBondContact OE1-SG 3.48Å; S849-C869 WeakPolarHBondContact CB-O 3.48Å; S849-C869 PolarHBondContact OG-O 2.91Å; C869-I871 PolarHBondContact SG-O 3.21Å
870	S	65.2	Low	62.3	Low	73 Å²	73	76.9 Å²	76.9	51%	0.51	40%	0.396	S	S	.	.			trans	-91.6	-12.6	-177.2	12.7	0	0	0	0	112.1	E736 R773 I868 S872	E736-S870 PolarHBondContact OE1-N 2.97Å; R773-S870 PolarHBondContact NH1-OG 2.59Å; R773-S870 PolarHBondContact NH2-OG 2.99Å; I868-S870 PolarHBondContact O-N 2.74Å; S870-S872 PolarHBondContact O-N 3.21Å
871	I	70.6	Confident	65.1	Low	10 Å²	10	69.9 Å²	69.9	5%	0.051	36%	0.359	C	S	.	.			trans	-72.2	119.7	167	-57.7	-177.8	0	0	0	108.6	L732 E736 R773 I842 S846 C869 I876	L732-I871 HydrophobicContact CD1-CD1 3.88Å; L732-I871 HydrophobicContact CD2-CD1 4.15Å; L732-I871 HydrophobicContact CG-CD1 3.64Å; E736-I871 HydrophobicContact CB-CD1 3.52Å; E736-I871 HydrophobicContact CB-CG1 4.17Å; E736-I871 HydrophobicContact CG-CD1 3.85Å; E736-I871 HydrophobicContact CG-CG1 4.06Å; E736-I871 PolarHBondContact OE1-N 2.89Å; R773-I871 HydrophobicContact CG-CG1 4.42Å; I842-I871 HydrophobicContact CD1-CG2 3.97Å; I842-I871 HydrophobicContact CG2-CB 4.34Å; I842-I871 HydrophobicContact CG2-CG2 3.92Å; S846-I871 VanDerWaalsContact CB-O 3.26Å; S846-I871 WeakPolarHBondContact CB-O 3.15Å; C869-I871 PolarHBondContact SG-O 3.21Å; I871-I876 HydrophobicContact CG2-CD1 4Å
872	S	76.5	Confident	67.9	Low	22 Å²	22	64.2 Å²	64.2	15%	0.154	33%	0.333	C	S	.	.			trans	-108.3	126.3	166.7	93.6	0	0	0	0	109.8	S870 Q874 E875 I876	S870-S872 PolarHBondContact O-N 3.21Å; S872-Q874 PolarHBondContact O-N 3.43Å; S872-E875 PolarHBondContact O-N 2.82Å; S872-E875 WeakPolarHBondContact OG-CB 3.24Å; S872-E875 PolarHBondContact OG-N 3.22Å; S872-I876 PolarHBondContact O-N 3.4Å
873	I	79	Confident	70.6	Confident	0 Å²	0	64 Å²	64	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-56.3	-34.7	172.5	-70.4	173.6	0	0	0	109.7	L838 I839 I842 S846 I847 E875 I876 F877 L979	L838-I873 HydrophobicContact CB-CD1 4.4Å; L838-I873 HydrophobicContact CB-CG1 4.3Å; L838-I873 HydrophobicContact CB-CG2 4.29Å; L838-I873 HydrophobicContact CD1-CG2 4.27Å; I839-I873 HydrophobicContact CG1-CD1 4.24Å; I842-I873 HydrophobicContact CD1-CG1 4.24Å; S846-I873 WeakPolarHBondContact OG-CD1 3.33Å; S846-I873 VanDerWaalsContact OG-CG1 3.28Å; S846-I873 WeakPolarHBondContact OG-CG1 3.19Å; I847-I873 HydrophobicContact CG1-CD1 4.19Å; I873-E875 PolarHBondContact O-N 3.36Å; I873-I876 PolarHBondContact O-N 3.03Å; I873-F877 HydrophobicContact CG2-CD2 3.74Å; I873-F877 HydrophobicContact CG2-CE2 3.88Å; I873-F877 WeakPolarHBondContact O-CD2 3.41Å; I873-F877 PolarHBondContact O-N 3.3Å; I873-L979 HydrophobicContact CB-CD2 4.36Å; I873-L979 HydrophobicContact CG2-CD1 4.06Å; I873-L979 HydrophobicContact CG2-CD2 4.21Å
874	Q	77.9	Confident	72.9	Confident	45 Å²	45	56.5 Å²	56.5	21%	0.21	27%	0.273	C	S	.	.	H	α-helix	trans	-60.5	-45	178.9	-168.5	-176.6	-11.4	0	0	112.4	S872 F877 H878 Y922 L923	S872-Q874 PolarHBondContact O-N 3.43Å; Q874-F877 PolarHBondContact O-N 3.37Å; Q874-H878 PolarHBondContact NE2-CE1 2.91Å; Q874-H878 PolarHBondContact O-N 3.36Å; Q874-H878 PolarHBondContact O-ND1 3.34Å; Q874-Y922 HydrophobicContact CG-CD2 4.47Å; Q874-Y922 HydrophobicContact CG-CE2 4.03Å; Q874-L923 HydrophobicContact CG-CD2 4.43Å
875	E	81.5	Confident	75.2	Confident	93 Å²	93	50.7 Å²	50.7	44%	0.435	24%	0.242	S	C	.	.	H	α-helix	trans	-64.1	-42.8	179	-175	56.9	-152.8	0	0	111.9	S872 I873 F877 H878 Q879	S872-E875 PolarHBondContact O-N 2.82Å; S872-E875 WeakPolarHBondContact OG-CB 3.24Å; S872-E875 PolarHBondContact OG-N 3.22Å; I873-E875 PolarHBondContact O-N 3.36Å; E875-F877 VanDerWaalsContact C-N 3.28Å; E875-F877 PolarHBondContact O-N 3.36Å; E875-H878 WeakPolarHBondContact O-CB 3.5Å; E875-H878 PolarHBondContact O-N 3.36Å; E875-H878 VanDerWaalsContact O-N 3.16Å; E875-H878 IonicContact OE2-ND1 3.8Å; E875-Q879 WeakPolarHBondContact O-CG 3.23Å; E875-Q879 PolarHBondContact O-N 2.89Å; E875-Q879 VanDerWaalsContact O-N 3.09Å; E875-Q879 PolarHBondContact OE1-NE2 3.38Å
876	I	86.2	Confident	77.2	Confident	2 Å²	2	44.1 Å²	44.1	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-57.9	-44.9	174.5	-63.2	174.6	0	0	0	110.1	L732 Y780 V781 L838 I842 I871 S872 I873 Q879 I880	L732-I876 HydrophobicContact CD2-CD1 4.45Å; Y780-I876 HydrophobicContact CD1-CG2 4.13Å; Y780-I876 HydrophobicContact CE1-CG2 3.7Å; V781-I876 HydrophobicContact CG2-CG2 4.19Å; L838-I876 HydrophobicContact CD1-CG2 3.95Å; L838-I876 HydrophobicContact CD2-CD1 4.04Å; L838-I876 HydrophobicContact CD2-CG2 4.24Å; I842-I876 HydrophobicContact CD1-CD1 3.76Å; I871-I876 HydrophobicContact CG2-CD1 4Å; S872-I876 PolarHBondContact O-N 3.4Å; I873-I876 PolarHBondContact O-N 3.03Å; I876-Q879 PolarHBondContact O-N 2.93Å; I876-I880 HydrophobicContact CG2-CD1 3.8Å; I876-I880 HydrophobicContact CG2-CG1 4.47Å; I876-I880 VanDerWaalsContact O-CG1 3.31Å; I876-I880 WeakPolarHBondContact O-CG1 3.35Å; I876-I880 PolarHBondContact O-N 3.07Å
877	F	84.4	Confident	78.9	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-65	-38.5	176.6	-93.7	-79.7	0	0	0	113.5	L831 I834 Y835 L838 I873 Q874 E875 Q879 I880 I881 L923 L976	L831-F877 HydrophobicContact CD2-CD1 4.44Å; L831-F877 HydrophobicContact CD2-CE1 4.01Å; I834-F877 HydrophobicContact CB-CZ 4.41Å; I834-F877 HydrophobicContact CG2-CE1 4.35Å; I834-F877 HydrophobicContact CG2-CE2 4.48Å; I834-F877 HydrophobicContact CG2-CZ 3.91Å; Y835-F877 AromaticContact CD2-CE2 3.78Å; Y835-F877 HydrophobicContact CD2-CE2 3.78Å; Y835-F877 HydrophobicContact CD2-CZ 4.05Å; Y835-F877 HydrophobicContact CG-CE2 4.44Å; Y835-F877 HydrophobicContact CG-CZ 4.32Å; L838-F877 HydrophobicContact CD1-CD2 3.94Å; L838-F877 HydrophobicContact CD1-CE2 3.47Å; L838-F877 VanDerWaalsContact CD1-CE2 3.47Å; L838-F877 HydrophobicContact CD1-CZ 4.18Å; I873-F877 HydrophobicContact CG2-CD2 3.74Å; I873-F877 HydrophobicContact CG2-CE2 3.88Å; I873-F877 WeakPolarHBondContact O-CD2 3.41Å; I873-F877 PolarHBondContact O-N 3.3Å; Q874-F877 PolarHBondContact O-N 3.37Å; E875-F877 VanDerWaalsContact C-N 3.28Å; E875-F877 PolarHBondContact O-N 3.36Å; F877-Q879 VanDerWaalsContact C-N 3.3Å; F877-Q879 PolarHBondContact O-N 2.95Å; F877-I880 PolarHBondContact O-N 3.06Å; F877-I881 HydrophobicContact CD1-CD1 4.32Å; F877-I881 WeakPolarHBondContact O-CB 3.39Å; F877-I881 WeakPolarHBondContact O-CG1 3.48Å; F877-I881 PolarHBondContact O-N 3.49Å; F877-L923 HydrophobicContact CB-CD2 3.88Å; F877-L976 HydrophobicContact CD1-CD2 4.21Å; F877-L976 HydrophobicContact CD2-CD2 4.3Å; F877-L976 HydrophobicContact CE1-CD2 4.17Å; F877-L976 HydrophobicContact CE2-CD2 4.24Å; F877-L976 HydrophobicContact CG-CD2 4.29Å; F877-L976 HydrophobicContact CZ-CD2 4.2Å
878	H	85.8	Confident	80.3	Confident	27 Å²	27	35 Å²	35	13%	0.125	18%	0.175	C	C	.	.	H	α-helix	trans	-58	-45.6	174.6	-74.1	114.5	0	0	0	111.1	Q874 E875 I881 Q882 Y922 L923 T925	Q874-H878 PolarHBondContact NE2-CE1 2.91Å; Q874-H878 PolarHBondContact O-N 3.36Å; Q874-H878 PolarHBondContact O-ND1 3.34Å; E875-H878 WeakPolarHBondContact O-CB 3.5Å; E875-H878 PolarHBondContact O-N 3.36Å; E875-H878 VanDerWaalsContact O-N 3.16Å; E875-H878 IonicContact OE2-ND1 3.8Å; H878-I881 PolarHBondContact O-N 3.31Å; H878-Q882 VanDerWaalsContact O-CB 3.22Å; H878-Q882 WeakPolarHBondContact O-CB 3.39Å; H878-Q882 PolarHBondContact O-N 3.14Å; H878-Y922 PolarHBondContact NE2-O 2.9Å; H878-L923 PolarHBondContact CD2-O 2.99Å; H878-L923 VanDerWaalsContact CD2-O 3.26Å; H878-T925 HydrophobicContact CB-CG2 4.13Å
879	Q	87.9	Confident	81.6	Confident	65 Å²	65	31.1 Å²	31.1	30%	0.304	15%	0.154	S	C	.	.	H	α-helix	trans	-68.3	-41.6	-178.9	-61.7	179.4	16.3	0	0	111.8	V781 E875 I876 F877 Q882 Y883	V781-Q879 HydrophobicContact CG1-CB 3.69Å; V781-Q879 HydrophobicContact CG2-CB 4.2Å; E875-Q879 WeakPolarHBondContact O-CG 3.23Å; E875-Q879 PolarHBondContact O-N 2.89Å; E875-Q879 VanDerWaalsContact O-N 3.09Å; E875-Q879 PolarHBondContact OE1-NE2 3.38Å; I876-Q879 PolarHBondContact O-N 2.93Å; F877-Q879 VanDerWaalsContact C-N 3.3Å; F877-Q879 PolarHBondContact O-N 2.95Å; Q879-Q882 PolarHBondContact O-N 3.23Å; Q879-Y883 PolarHBondContact O-N 3.44Å
880	I	89.1	Confident	82.8	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.3	-44.9	175.8	-68.3	172.1	0	0	0	111.3	Y780 V781 L788 L831 I834 I876 F877 Y883 L884	Y780-I880 HydrophobicContact CE1-CD1 4.32Å; V781-I880 HydrophobicContact CG1-CG1 4.27Å; V781-I880 HydrophobicContact CG2-CG1 4.47Å; L788-I880 HydrophobicContact CD2-CG2 3.5Å; L788-I880 VanDerWaalsContact CD2-CG2 3.5Å; L831-I880 HydrophobicContact CD2-CG2 4.04Å; I834-I880 HydrophobicContact CG2-CD1 4Å; I876-I880 HydrophobicContact CG2-CD1 3.8Å; I876-I880 HydrophobicContact CG2-CG1 4.47Å; I876-I880 VanDerWaalsContact O-CG1 3.31Å; I876-I880 WeakPolarHBondContact O-CG1 3.35Å; I876-I880 PolarHBondContact O-N 3.07Å; F877-I880 PolarHBondContact O-N 3.06Å; I880-Y883 PolarHBondContact O-N 3.13Å; I880-L884 PolarHBondContact O-N 2.92Å
881	I	86.1	Confident	83.4	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-69.2	-38.6	-179.7	-72.8	166.8	0	0	0	111	F877 H878 Y883 L884 I885 L919 L923 F924	F877-I881 HydrophobicContact CD1-CD1 4.32Å; F877-I881 WeakPolarHBondContact O-CB 3.39Å; F877-I881 WeakPolarHBondContact O-CG1 3.48Å; F877-I881 PolarHBondContact O-N 3.49Å; H878-I881 PolarHBondContact O-N 3.31Å; I881-Y883 VanDerWaalsContact C-N 3.32Å; I881-Y883 PolarHBondContact O-N 3.13Å; I881-L884 PolarHBondContact O-N 3.37Å; I881-I885 HydrophobicContact CG2-CD1 4.14Å; I881-I885 WeakPolarHBondContact O-CG1 3.32Å; I881-I885 PolarHBondContact O-N 2.96Å; I881-L919 HydrophobicContact CD1-CD1 4.46Å; I881-L923 HydrophobicContact CD1-CB 3.51Å; I881-L923 HydrophobicContact CD1-CD1 3.58Å; I881-L923 HydrophobicContact CD1-CD2 4.49Å; I881-L923 HydrophobicContact CD1-CG 4.05Å; I881-F924 HydrophobicContact CG2-CD1 4.2Å; I881-F924 HydrophobicContact CG2-CE1 4.23Å
882	Q	88.5	Confident	83.6	Confident	74 Å²	74	33.6 Å²	33.6	35%	0.346	15%	0.154	S	C	.	.	H	α-helix	trans	-60.3	-43.6	173.2	179.3	166.3	-25.4	0	0	111.3	H878 Q879 I885 Q886 T925	H878-Q882 VanDerWaalsContact O-CB 3.22Å; H878-Q882 WeakPolarHBondContact O-CB 3.39Å; H878-Q882 PolarHBondContact O-N 3.14Å; Q879-Q882 PolarHBondContact O-N 3.23Å; Q882-I885 PolarHBondContact O-N 3.45Å; Q882-Q886 WeakPolarHBondContact O-CB 3.29Å; Q882-Q886 PolarHBondContact O-N 3.05Å; Q882-T925 PolarHBondContact OE1-OG1 2.76Å; Q882-T925 VanDerWaalsContact OE1-OG1 3.12Å
883	Y	87.5	Confident	83.5	Confident	83 Å²	83	34.2 Å²	34.2	33%	0.325	16%	0.157	S	C	.	.	H	α-helix	trans	-62.5	-45.9	175.6	-168.1	-81.2	0	0	0	112	E786 Q879 I880 I881 I885 Q886 Y887	E786-Y883 WeakPolarHBondContact CG-OH 3.2Å; Q879-Y883 PolarHBondContact O-N 3.44Å; I880-Y883 PolarHBondContact O-N 3.13Å; I881-Y883 VanDerWaalsContact C-N 3.32Å; I881-Y883 PolarHBondContact O-N 3.13Å; Y883-I885 VanDerWaalsContact C-N 3.34Å; Y883-I885 PolarHBondContact O-N 3.45Å; Y883-Q886 PolarHBondContact O-N 3.48Å; Y883-Y887 WeakPolarHBondContact O-CB 3.45Å; Y883-Y887 PolarHBondContact O-N 2.86Å
884	L	87.4	Confident	82.9	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-57.7	-45.7	177.7	176.3	64.3	0	0	0	111.7	L788 L792 V827 L831 I880 I881 Y887 I888 M915	L788-L884 HydrophobicContact CD2-CB 4.47Å; L788-L884 HydrophobicContact CD2-CD2 4.36Å; L792-L884 HydrophobicContact CD1-CD1 3.72Å; V827-L884 HydrophobicContact CG1-CD1 3.8Å; V827-L884 HydrophobicContact CG1-CD2 3.62Å; V827-L884 HydrophobicContact CG1-CG 4.38Å; L831-L884 HydrophobicContact CD1-CD2 4.45Å; I880-L884 PolarHBondContact O-N 2.92Å; I881-L884 PolarHBondContact O-N 3.37Å; L884-Y887 PolarHBondContact O-N 3.07Å; L884-I888 HydrophobicContact CD1-CD1 4.11Å; L884-I888 HydrophobicContact CG-CD1 4.1Å; L884-I888 VanDerWaalsContact O-CG1 3.31Å; L884-I888 WeakPolarHBondContact O-CG1 3.32Å; L884-I888 PolarHBondContact O-N 3.06Å; L884-M915 HydrophobicContact CD2-CE 4.25Å; L884-M915 HydrophobicContact CD2-SD 4.4Å
885	I	86	Confident	82.4	Confident	5 Å²	5	41.7 Å²	41.7	3%	0.026	19%	0.189	C	C	.	.	H	α-helix	trans	-69.1	-41.3	179.8	-67.3	179.3	0	0	0	111.4	I881 Q882 Y883 Y887 I888 H889 F924 L931	I881-I885 HydrophobicContact CG2-CD1 4.14Å; I881-I885 WeakPolarHBondContact O-CG1 3.32Å; I881-I885 PolarHBondContact O-N 2.96Å; Q882-I885 PolarHBondContact O-N 3.45Å; Y883-I885 VanDerWaalsContact C-N 3.34Å; Y883-I885 PolarHBondContact O-N 3.45Å; I885-Y887 VanDerWaalsContact C-N 3.28Å; I885-Y887 PolarHBondContact O-N 3.36Å; I885-I888 PolarHBondContact O-N 3.18Å; I885-H889 VanDerWaalsContact O-CB 3.32Å; I885-H889 WeakPolarHBondContact O-CB 3.44Å; I885-H889 PolarHBondContact O-N 3.31Å; I885-F924 HydrophobicContact CD1-CD1 3.35Å; I885-F924 HydrophobicContact CD1-CE1 3.41Å; I885-F924 VanDerWaalsContact CD1-CE1 3.41Å; I885-L931 HydrophobicContact CG2-CB 3.78Å; I885-L931 HydrophobicContact CG2-CD1 4.25Å
886	Q	87.1	Confident	81.5	Confident	72 Å²	72	42.3 Å²	42.3	34%	0.336	20%	0.196	S	C	.	.	H	α-helix	trans	-57.5	-45.2	174.7	-174.9	65.5	40.2	0	0	110.7	Q882 Y883 I888 H889 D890 L931	Q882-Q886 WeakPolarHBondContact O-CB 3.29Å; Q882-Q886 PolarHBondContact O-N 3.05Å; Y883-Q886 PolarHBondContact O-N 3.48Å; Q886-I888 PolarHBondContact O-N 3.21Å; Q886-H889 WeakPolarHBondContact O-CB 3.41Å; Q886-H889 PolarHBondContact O-N 2.86Å; Q886-D890 VanDerWaalsContact NE2-CG 3.27Å; Q886-D890 PolarHBondContact NE2-OD1 3.21Å; Q886-D890 PolarHBondContact NE2-OD2 2.82Å; Q886-D890 WeakPolarHBondContact O-CB 3.43Å; Q886-D890 PolarHBondContact O-N 3.16Å; Q886-L931 HydrophobicContact CB-CD1 4.36Å
887	Y	84.4	Confident	80.3	Confident	29 Å²	29	42.4 Å²	42.4	11%	0.114	20%	0.196	C	C	.	.	H	α-helix	trans	-60.6	-46.8	177.6	-174.3	-92.2	0	0	0	112.6	C789 L792 Q793 L796 Y883 L884 I885 H889 D890 R891	C789-Y887 HydrophobicContact CB-CD1 3.92Å; C789-Y887 HydrophobicContact CB-CD2 4.21Å; C789-Y887 HydrophobicContact CB-CE1 4.09Å; C789-Y887 HydrophobicContact CB-CE2 4.35Å; C789-Y887 HydrophobicContact CB-CG 4Å; L792-Y887 HydrophobicContact CB-CD1 4.46Å; L792-Y887 HydrophobicContact CB-CE1 3.98Å; L792-Y887 HydrophobicContact CD1-CD1 4.45Å; Q793-Y887 VanDerWaalsContact CA-OH 3.25Å; Q793-Y887 WeakPolarHBondContact CA-OH 3.46Å; Q793-Y887 WeakPolarHBondContact CB-OH 3.4Å; Q793-Y887 WeakPolarHBondContact CG-OH 3.47Å; L796-Y887 HydrophobicContact CD1-CE1 4.26Å; Y883-Y887 WeakPolarHBondContact O-CB 3.45Å; Y883-Y887 PolarHBondContact O-N 2.86Å; L884-Y887 PolarHBondContact O-N 3.07Å; I885-Y887 VanDerWaalsContact C-N 3.28Å; I885-Y887 PolarHBondContact O-N 3.36Å; Y887-H889 VanDerWaalsContact C-N 3.34Å; Y887-H889 PolarHBondContact O-N 3.33Å; Y887-D890 PolarHBondContact O-N 3.47Å; Y887-R891 HydrophobicContact CD1-CG 4.38Å; Y887-R891 HydrophobicContact CE1-CG 3.98Å; Y887-R891 HydrophobicContact CE2-CG 4.45Å; Y887-R891 WeakPolarHBondContact O-CG 3.23Å; Y887-R891 PolarHBondContact O-N 3.5Å; Y887-R891 VanDerWaalsContact O-N 3.14Å
888	I	82.1	Confident	79.3	Confident	8 Å²	8	47.1 Å²	47.1	4%	0.041	23%	0.229	C	C	.	.	H	α-helix	trans	-62	-44.2	177.1	-68.2	168	0	0	0	110.5	L792 L824 L884 I885 Q886 L892 L912 M915 I935	L792-I888 HydrophobicContact CD1-CD1 4.18Å; L792-I888 HydrophobicContact CD1-CG1 3.9Å; L824-I888 HydrophobicContact CD2-CD1 4.23Å; L884-I888 HydrophobicContact CD1-CD1 4.11Å; L884-I888 HydrophobicContact CG-CD1 4.1Å; L884-I888 VanDerWaalsContact O-CG1 3.31Å; L884-I888 WeakPolarHBondContact O-CG1 3.32Å; L884-I888 PolarHBondContact O-N 3.06Å; I885-I888 PolarHBondContact O-N 3.18Å; Q886-I888 PolarHBondContact O-N 3.21Å; I888-L892 HydrophobicContact CG2-CD1 3.59Å; I888-L892 HydrophobicContact CG2-CG 4.35Å; I888-L892 WeakPolarHBondContact O-CB 3.5Å; I888-L892 VanDerWaalsContact O-CG 3.24Å; I888-L892 WeakPolarHBondContact O-CG 3.31Å; I888-L892 PolarHBondContact O-N 2.8Å; I888-L912 HydrophobicContact CG2-CD2 4.21Å; I888-M915 HydrophobicContact CD1-CE 3.51Å; I888-I935 HydrophobicContact CG2-CD1 4.04Å
889	H	83.4	Confident	78.2	Confident	23 Å²	23	52.4 Å²	52.4	11%	0.106	26%	0.258	C	S	.	.	H	α-helix	trans	-58.8	-53.5	177.3	170.9	-88.2	0	0	0	111.4	I885 Q886 Y887 R891 L892 V893 L931 I935	I885-H889 VanDerWaalsContact O-CB 3.32Å; I885-H889 WeakPolarHBondContact O-CB 3.44Å; I885-H889 PolarHBondContact O-N 3.31Å; Q886-H889 WeakPolarHBondContact O-CB 3.41Å; Q886-H889 PolarHBondContact O-N 2.86Å; Y887-H889 VanDerWaalsContact C-N 3.34Å; Y887-H889 PolarHBondContact O-N 3.33Å; H889-R891 VanDerWaalsContact C-N 3.3Å; H889-R891 PolarHBondContact O-N 3.05Å; H889-L892 PolarHBondContact O-N 3.33Å; H889-V893 WeakPolarHBondContact NE2-CG2 3.25Å; H889-V893 VanDerWaalsContact O-CB 3.25Å; H889-V893 WeakPolarHBondContact O-CB 3.44Å; H889-V893 VanDerWaalsContact O-CG2 3.23Å; H889-V893 WeakPolarHBondContact O-CG2 3.17Å; H889-V893 PolarHBondContact O-N 3.14Å; H889-L931 HydrophobicContact CB-CB 4.21Å; H889-L931 HydrophobicContact CB-CD2 4.29Å; H889-I935 HydrophobicContact CB-CD1 4.03Å; H889-I935 HydrophobicContact CB-CG1 4.41Å
890	D	82.5	Confident	77	Confident	64 Å²	64	50.9 Å²	50.9	34%	0.342	25%	0.25	S	C	.	.	H	α-helix	trans	-63.9	-38	-173.8	-65.5	-15.8	0	0	0	111.6	Q886 Y887 E894	Q886-D890 VanDerWaalsContact NE2-CG 3.27Å; Q886-D890 PolarHBondContact NE2-OD1 3.21Å; Q886-D890 PolarHBondContact NE2-OD2 2.82Å; Q886-D890 WeakPolarHBondContact O-CB 3.43Å; Q886-D890 PolarHBondContact O-N 3.16Å; Y887-D890 PolarHBondContact O-N 3.47Å; D890-E894 WeakPolarHBondContact O-CG 3.49Å
891	R	77	Confident	76	Confident	87 Å²	87	52.2 Å²	52.2	33%	0.328	26%	0.259	S	S	.	.	H	α-helix	trans	-73.4	-31.6	177.3	-66.5	-64.3	176.2	-136.6	-0.2	114.2	L796 Y887 H889 R895	L796-R891 HydrophobicContact CB-CB 4.41Å; L796-R891 HydrophobicContact CD1-CB 3.82Å; L796-R891 HydrophobicContact CD1-CG 4.22Å; Y887-R891 HydrophobicContact CD1-CG 4.38Å; Y887-R891 HydrophobicContact CE1-CG 3.98Å; Y887-R891 HydrophobicContact CE2-CG 4.45Å; Y887-R891 WeakPolarHBondContact O-CG 3.23Å; Y887-R891 PolarHBondContact O-N 3.5Å; Y887-R891 VanDerWaalsContact O-N 3.14Å; H889-R891 VanDerWaalsContact C-N 3.3Å; H889-R891 PolarHBondContact O-N 3.05Å; R891-R895 WeakPolarHBondContact O-CG 3.38Å
892	L	74.5	Confident	75.1	Confident	4 Å²	4	59.3 Å²	59.3	2%	0.021	29%	0.292	C	S	.	.	H	α-helix	trans	-83.6	-37.6	178.1	-67.9	175.7	0	0	0	111.9	L796 I888 H889 E894 R895 L897 W900 L908 I935 Y939	L796-L892 HydrophobicContact CD2-CD2 4.48Å; I888-L892 HydrophobicContact CG2-CD1 3.59Å; I888-L892 HydrophobicContact CG2-CG 4.35Å; I888-L892 WeakPolarHBondContact O-CB 3.5Å; I888-L892 VanDerWaalsContact O-CG 3.24Å; I888-L892 WeakPolarHBondContact O-CG 3.31Å; I888-L892 PolarHBondContact O-N 2.8Å; H889-L892 PolarHBondContact O-N 3.33Å; L892-E894 VanDerWaalsContact C-N 3.3Å; L892-E894 PolarHBondContact O-N 3.33Å; L892-R895 WeakPolarHBondContact O-CA 3.48Å; L892-R895 WeakPolarHBondContact O-CB 3.31Å; L892-R895 PolarHBondContact O-N 2.96Å; L892-L897 HydrophobicContact CD2-CD1 4.18Å; L892-W900 HydrophobicContact CD2-CH2 4.21Å; L892-L908 HydrophobicContact CD1-CD1 4.41Å; L892-L908 HydrophobicContact CD1-CD2 4.21Å; L892-L908 HydrophobicContact CD2-CD2 4.22Å; L892-I935 HydrophobicContact CD1-CD1 4.46Å; L892-I935 HydrophobicContact CD1-CG2 4.12Å; L892-Y939 HydrophobicContact CB-CE2 4.44Å; L892-Y939 PolarHBondContact O-OH 3.42Å
893	V	74.7	Confident	74.1	Confident	36 Å²	36	61.6 Å²	61.6	22%	0.218	31%	0.306	C	S	.	.	H	α-helix	trans	-63.2	-34.4	-176	161.9	0	0	0	0	113	H889 R895	H889-V893 WeakPolarHBondContact NE2-CG2 3.25Å; H889-V893 VanDerWaalsContact O-CB 3.25Å; H889-V893 WeakPolarHBondContact O-CB 3.44Å; H889-V893 VanDerWaalsContact O-CG2 3.23Å; H889-V893 WeakPolarHBondContact O-CG2 3.17Å; H889-V893 PolarHBondContact O-N 3.14Å; V893-R895 PolarHBondContact O-N 3.34Å
894	E	67.5	Low	73.3	Confident	139 Å²	139	57.8 Å²	57.8	65%	0.65	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-11	174	-69.5	176.9	171.8	0	0	112.9	D890 L892	D890-E894 WeakPolarHBondContact O-CG 3.49Å; L892-E894 VanDerWaalsContact C-N 3.3Å; L892-E894 PolarHBondContact O-N 3.33Å
895	R	66.3	Low	72.4	Confident	62 Å²	62	61 Å²	61	23%	0.234	31%	0.307	C	S	.	.	S	Bend	trans	-113.4	137.3	-171	-56.5	-70.4	-179	154.3	6.3	112.7	L799 R891 L892 V893 L897 Y939	L799-R895 PolarHBondContact O-NH1 3.43Å; L799-R895 PolarHBondContact O-NH2 2.96Å; R891-R895 WeakPolarHBondContact O-CG 3.38Å; L892-R895 WeakPolarHBondContact O-CA 3.48Å; L892-R895 WeakPolarHBondContact O-CB 3.31Å; L892-R895 PolarHBondContact O-N 2.96Å; V893-R895 PolarHBondContact O-N 3.34Å; R895-L897 PolarHBondContact O-N 3.3Å; R895-Y939 PolarHBondContact O-OH 3.27Å
896	N	62.5	Low	71.6	Confident	107 Å²	107	63.3 Å²	63.3	57%	0.572	32%	0.319	S	S	*	.			trans	-84.5	92.1	167.3	-73.9	-27.8	0	0	0	109.8	S898 D899	N896-S898 PolarHBondContact O-N 3.42Å; N896-D899 PolarHBondContact O-N 2.8Å
897	L	61.3	Low	70.9	Confident	3 Å²	3	61.7 Å²	61.7	2%	0.016	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-61.9	-8.7	173.7	-89.3	106.4	0	0	0	114.5	L892 R895 D899 W900 Q905 L908 Y939	L892-L897 HydrophobicContact CD2-CD1 4.18Å; R895-L897 PolarHBondContact O-N 3.3Å; L897-D899 PolarHBondContact O-N 3.22Å; L897-D899 VanDerWaalsContact O-N 3.15Å; L897-W900 HydrophobicContact CB-CD2 4.47Å; L897-W900 HydrophobicContact CD2-CD2 3.66Å; L897-W900 HydrophobicContact CD2-CE3 3.28Å; L897-W900 HydrophobicContact CD2-CG 4.38Å; L897-W900 HydrophobicContact CD2-CH2 3.99Å; L897-W900 HydrophobicContact CD2-CZ2 4.31Å; L897-W900 HydrophobicContact CD2-CZ3 3.47Å; L897-W900 VanDerWaalsContact CD2-CZ3 3.47Å; L897-W900 HydrophobicContact CG-CD2 3.77Å; L897-W900 HydrophobicContact CG-CE3 3.92Å; L897-W900 HydrophobicContact CG-CG 4.29Å; L897-W900 HydrophobicContact CG-CH2 4.24Å; L897-W900 HydrophobicContact CG-CZ2 4.11Å; L897-W900 HydrophobicContact CG-CZ3 4.16Å; L897-W900 WeakPolarHBondContact O-CB 3.46Å; L897-W900 PolarHBondContact O-N 2.84Å; L897-Q905 PolarHBondContact O-NE2 3.16Å; L897-L908 HydrophobicContact CD2-CD2 3.45Å; L897-L908 VanDerWaalsContact CD2-CD2 3.45Å; L897-Y939 HydrophobicContact CB-CD1 3.59Å; L897-Y939 HydrophobicContact CB-CE1 3.57Å; L897-Y939 HydrophobicContact CB-CG 4.46Å; L897-Y939 HydrophobicContact CD1-CD1 3.77Å; L897-Y939 HydrophobicContact CD1-CD2 4.16Å; L897-Y939 HydrophobicContact CD1-CE1 3.19Å; L897-Y939 HydrophobicContact CD1-CE2 3.67Å; L897-Y939 HydrophobicContact CD1-CG 4.24Å; L897-Y939 WeakPolarHBondContact CD1-OH 3.4Å; L897-Y939 HydrophobicContact CG-CD1 4.16Å; L897-Y939 HydrophobicContact CG-CE1 3.94Å
898	S	63.9	Low	70.3	Confident	100 Å²	100	60.6 Å²	60.6	70%	0.699	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-54.6	-26.2	170.2	-42.6	0	0	0	0	112.8	N896 W900	N896-S898 PolarHBondContact O-N 3.42Å; S898-W900 VanDerWaalsContact C-N 3.32Å
899	D	62.1	Low	69.8	Low	138 Å²	138	60.6 Å²	60.6	74%	0.738	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-80.6	-13.2	179.2	-62	-30.7	0	0	0	113	N896 L897	N896-D899 PolarHBondContact O-N 2.8Å; L897-D899 PolarHBondContact O-N 3.22Å; L897-D899 VanDerWaalsContact O-N 3.15Å
900	W	63.7	Low	69.3	Low	33 Å²	33	60.9 Å²	60.9	13%	0.125	31%	0.31	C	S	.	.	S	Bend	trans	-83.5	149.4	-178.1	-62.9	15.3	0	0	0	110.5	L799 L816 I820 L892 L897 S898 A904 Q905 L908	L799-W900 HydrophobicContact CD1-CH2 4.27Å; L799-W900 HydrophobicContact CD1-CZ2 3.96Å; L816-W900 HydrophobicContact CD1-CH2 4.43Å; L816-W900 HydrophobicContact CD2-CD2 3.69Å; L816-W900 HydrophobicContact CD2-CE3 3.82Å; L816-W900 HydrophobicContact CD2-CG 4.21Å; L816-W900 HydrophobicContact CD2-CH2 4.24Å; L816-W900 HydrophobicContact CD2-CZ2 4.11Å; L816-W900 HydrophobicContact CD2-CZ3 4.09Å; L816-W900 HydrophobicContact CG-CZ3 4.46Å; I820-W900 HydrophobicContact CD1-CH2 3.63Å; I820-W900 HydrophobicContact CD1-CZ3 3.61Å; L892-W900 HydrophobicContact CD2-CH2 4.21Å; L897-W900 HydrophobicContact CB-CD2 4.47Å; L897-W900 HydrophobicContact CD2-CD2 3.66Å; L897-W900 HydrophobicContact CD2-CE3 3.28Å; L897-W900 HydrophobicContact CD2-CG 4.38Å; L897-W900 HydrophobicContact CD2-CH2 3.99Å; L897-W900 HydrophobicContact CD2-CZ2 4.31Å; L897-W900 HydrophobicContact CD2-CZ3 3.47Å; L897-W900 VanDerWaalsContact CD2-CZ3 3.47Å; L897-W900 HydrophobicContact CG-CD2 3.77Å; L897-W900 HydrophobicContact CG-CE3 3.92Å; L897-W900 HydrophobicContact CG-CG 4.29Å; L897-W900 HydrophobicContact CG-CH2 4.24Å; L897-W900 HydrophobicContact CG-CZ2 4.11Å; L897-W900 HydrophobicContact CG-CZ3 4.16Å; L897-W900 WeakPolarHBondContact O-CB 3.46Å; L897-W900 PolarHBondContact O-N 2.84Å; S898-W900 VanDerWaalsContact C-N 3.32Å; W900-A904 HydrophobicContact CB-CB 4.11Å; W900-A904 HydrophobicContact CE3-CB 4.08Å; W900-Q905 HydrophobicContact CB-CG 4.36Å; W900-L908 HydrophobicContact CZ3-CD2 4.11Å
901	S	66.8	Low	69	Low	27 Å²	27	58.3 Å²	58.3	19%	0.189	30%	0.296	C	S	.	.			trans	-58.1	151.9	171.3	59.5	0	0	0	0	112.2	D813 L903 A904 Q905	D813-S901 WeakPolarHBondContact CB-OG 3.35Å; D813-S901 VanDerWaalsContact OD1-CB 3.24Å; D813-S901 WeakPolarHBondContact OD1-CB 3.23Å; D813-S901 PolarHBondContact OD1-N 3.27Å; D813-S901 PolarHBondContact OD1-OG 3.49Å; D813-S901 WeakPolarHBondContact OD2-CB 3.25Å; D813-S901 PolarHBondContact OD2-OG 2.94Å; S901-L903 PolarHBondContact O-N 2.95Å; S901-A904 WeakPolarHBondContact O-CA 3.36Å; S901-A904 WeakPolarHBondContact O-CB 3.24Å; S901-A904 PolarHBondContact O-N 3.19Å; S901-A904 WeakPolarHBondContact OG-CB 3.48Å; S901-A904 PolarHBondContact OG-N 3.25Å; S901-Q905 PolarHBondContact O-N 3.47Å
902	Q	67.5	Low	68.9	Low	150 Å²	150	54.2 Å²	54.2	70%	0.701	28%	0.281	S	S	*	.	H	α-helix	trans	-55.7	-34	173.9	-173.9	175.1	-5.4	0	0	112	Q905 L906	Q902-Q905 PolarHBondContact O-N 3.45Å; Q902-L906 HydrophobicContact CG-CD1 4.3Å; Q902-L906 WeakPolarHBondContact O-CB 3.25Å; Q902-L906 VanDerWaalsContact O-CG 3.27Å; Q902-L906 WeakPolarHBondContact O-CG 3.43Å; Q902-L906 PolarHBondContact O-N 2.89Å
903	L	68.8	Low	68.8	Low	123 Å²	123	54 Å²	54	64%	0.644	28%	0.28	S	S	*	.	H	α-helix	trans	-62.6	-41.9	173.5	-77.8	163.4	0	0	0	112	I817 S901 L906 Q907	I817-L903 HydrophobicContact CD1-CB 3.71Å; S901-L903 PolarHBondContact O-N 2.95Å; L903-L906 PolarHBondContact O-N 3.45Å; L903-Q907 PolarHBondContact O-N 3.37Å
904	A	68.9	Low	68.7	Low	3 Å²	3	53.1 Å²	53.1	3%	0.025	28%	0.276	C	S	.	.	H	α-helix	trans	-68.1	-39.7	177.5	0	0	0	0	0	112.9	I817 W900 S901 Q907 L908	I817-A904 HydrophobicContact CD1-CB 4.08Å; I817-A904 VanDerWaalsContact CG1-CA 3.47Å; I817-A904 HydrophobicContact CG1-CB 3.71Å; W900-A904 HydrophobicContact CB-CB 4.11Å; W900-A904 HydrophobicContact CE3-CB 4.08Å; S901-A904 WeakPolarHBondContact O-CA 3.36Å; S901-A904 WeakPolarHBondContact O-CB 3.24Å; S901-A904 PolarHBondContact O-N 3.19Å; S901-A904 WeakPolarHBondContact OG-CB 3.48Å; S901-A904 PolarHBondContact OG-N 3.25Å; A904-Q907 PolarHBondContact O-N 3.01Å; A904-L908 WeakPolarHBondContact O-CB 3.48Å; A904-L908 PolarHBondContact O-N 2.9Å
905	Q	68.6	Low	69.2	Low	68 Å²	68	47 Å²	47	32%	0.318	25%	0.247	S	C	.	.	H	α-helix	trans	-63.3	-42.7	173.4	-66.1	176.1	-0.3	0	0	111.6	L897 W900 S901 Q902 T909	L897-Q905 PolarHBondContact O-NE2 3.16Å; W900-Q905 HydrophobicContact CB-CG 4.36Å; S901-Q905 PolarHBondContact O-N 3.47Å; Q902-Q905 PolarHBondContact O-N 3.45Å; Q905-T909 WeakPolarHBondContact O-CB 3.31Å; Q905-T909 PolarHBondContact O-N 3.26Å; Q905-T909 PolarHBondContact O-OG1 2.97Å
906	L	69.3	Low	69.7	Low	53 Å²	53	47 Å²	47	28%	0.277	25%	0.249	S	C	.	.	H	α-helix	trans	-62.8	-50.1	175.2	-74.6	170.4	0	0	0	110.5	Q902 L903 L908 T909 L910 Y949 L950	Q902-L906 HydrophobicContact CG-CD1 4.3Å; Q902-L906 WeakPolarHBondContact O-CB 3.25Å; Q902-L906 VanDerWaalsContact O-CG 3.27Å; Q902-L906 WeakPolarHBondContact O-CG 3.43Å; Q902-L906 PolarHBondContact O-N 2.89Å; L903-L906 PolarHBondContact O-N 3.45Å; L906-L908 PolarHBondContact O-N 2.96Å; L906-T909 WeakPolarHBondContact O-CA 3.2Å; L906-T909 WeakPolarHBondContact O-CB 3.47Å; L906-T909 PolarHBondContact O-N 3.42Å; L906-T909 VanDerWaalsContact O-N 3.07Å; L906-L910 VanDerWaalsContact O-CG 3.3Å; L906-L910 WeakPolarHBondContact O-CG 3.37Å; L906-L910 PolarHBondContact O-N 3.48Å; L906-Y949 HydrophobicContact CD2-CD2 3.94Å; L906-Y949 HydrophobicContact CD2-CE2 3.87Å; L906-L950 HydrophobicContact CD2-CD2 4.44Å
907	Q	73.1	Confident	70.2	Confident	39 Å²	39	44 Å²	44	18%	0.182	23%	0.233	C	C	.	.	H	α-helix	trans	-58.6	-47.5	179.9	-174.5	64.1	35.2	0	0	112.5	I817 H821 L903 A904 T909 L910 D911	I817-Q907 HydrophobicContact CB-CB 4.47Å; I817-Q907 HydrophobicContact CB-CG 4.46Å; I817-Q907 HydrophobicContact CG1-CB 4.21Å; I817-Q907 HydrophobicContact CG2-CB 3.85Å; I817-Q907 HydrophobicContact CG2-CG 3.66Å; H821-Q907 HydrophobicContact CB-CG 4.38Å; H821-Q907 PolarHBondContact ND1-NE2 3.33Å; H821-Q907 VanDerWaalsContact ND1-NE2 3.17Å; L903-Q907 PolarHBondContact O-N 3.37Å; A904-Q907 PolarHBondContact O-N 3.01Å; Q907-T909 PolarHBondContact O-N 3.41Å; Q907-L910 WeakPolarHBondContact O-CA 3.33Å; Q907-L910 WeakPolarHBondContact O-CB 3.41Å; Q907-L910 PolarHBondContact O-N 3.36Å; Q907-D911 PolarHBondContact NE2-OD1 3.32Å; Q907-D911 PolarHBondContact NE2-OD2 2.66Å; Q907-D911 PolarHBondContact O-N 3.36Å
908	L	72.9	Confident	70.8	Confident	6 Å²	6	44.1 Å²	44.1	3%	0.031	23%	0.233	C	C	.	.	H	α-helix	trans	-58.2	-39.8	176.8	178.6	66.4	0	0	0	111.4	I820 L892 L897 W900 A904 L906 L910 D911 L912	I820-L908 HydrophobicContact CG2-CD1 4.04Å; L892-L908 HydrophobicContact CD1-CD1 4.41Å; L892-L908 HydrophobicContact CD1-CD2 4.21Å; L892-L908 HydrophobicContact CD2-CD2 4.22Å; L897-L908 HydrophobicContact CD2-CD2 3.45Å; L897-L908 VanDerWaalsContact CD2-CD2 3.45Å; W900-L908 HydrophobicContact CZ3-CD2 4.11Å; A904-L908 WeakPolarHBondContact O-CB 3.48Å; A904-L908 PolarHBondContact O-N 2.9Å; L906-L908 PolarHBondContact O-N 2.96Å; L908-L910 VanDerWaalsContact C-N 3.32Å; L908-L910 PolarHBondContact O-N 3.05Å; L908-D911 PolarHBondContact O-N 2.91Å; L908-L912 HydrophobicContact CD1-CD1 4.22Å; L908-L912 HydrophobicContact CD1-CG 4.23Å; L908-L912 HydrophobicContact CG-CD1 4.07Å; L908-L912 HydrophobicContact CG-CG 4.46Å; L908-L912 WeakPolarHBondContact O-CB 3.11Å; L908-L912 VanDerWaalsContact O-CG 3.32Å; L908-L912 WeakPolarHBondContact O-CG 3.42Å; L908-L912 PolarHBondContact O-N 3.4Å
909	T	70.5	Confident	71.4	Confident	8 Å²	8	39.6 Å²	39.6	5%	0.049	20%	0.201	C	C	.	.	H	α-helix	trans	-60.5	-43.3	174.1	-59.2	0	0	0	0	111.9	Q905 L906 Q907 N913 I941 Y949	Q905-T909 WeakPolarHBondContact O-CB 3.31Å; Q905-T909 PolarHBondContact O-N 3.26Å; Q905-T909 PolarHBondContact O-OG1 2.97Å; L906-T909 WeakPolarHBondContact O-CA 3.2Å; L906-T909 WeakPolarHBondContact O-CB 3.47Å; L906-T909 PolarHBondContact O-N 3.42Å; L906-T909 VanDerWaalsContact O-N 3.07Å; Q907-T909 PolarHBondContact O-N 3.41Å; T909-N913 VanDerWaalsContact O-CB 3.26Å; T909-N913 WeakPolarHBondContact O-CB 3.43Å; T909-N913 PolarHBondContact O-N 3.07Å; T909-N913 PolarHBondContact O-ND2 2.95Å; T909-I941 HydrophobicContact CG2-CB 4.31Å; T909-I941 HydrophobicContact CG2-CG1 4.38Å; T909-I941 HydrophobicContact CG2-CG2 3.35Å; T909-I941 VanDerWaalsContact OG1-CD1 3.24Å; T909-I941 WeakPolarHBondContact OG1-CD1 3.29Å; T909-I941 WeakPolarHBondContact OG1-CG1 3.46Å; T909-Y949 WeakPolarHBondContact CG2-OH 3.18Å
910	L	72.2	Confident	72	Confident	29 Å²	29	33.8 Å²	33.8	15%	0.152	17%	0.171	C	C	.	.	H	α-helix	trans	-63.3	-43.9	178.3	-63	-175.5	0	0	0	111.2	L906 Q907 L908 N913 A914 F947 L950 L958	L906-L910 VanDerWaalsContact O-CG 3.3Å; L906-L910 WeakPolarHBondContact O-CG 3.37Å; L906-L910 PolarHBondContact O-N 3.48Å; Q907-L910 WeakPolarHBondContact O-CA 3.33Å; Q907-L910 WeakPolarHBondContact O-CB 3.41Å; Q907-L910 PolarHBondContact O-N 3.36Å; L908-L910 VanDerWaalsContact C-N 3.32Å; L908-L910 PolarHBondContact O-N 3.05Å; L910-N913 WeakPolarHBondContact O-CB 3.33Å; L910-N913 PolarHBondContact O-N 2.71Å; L910-A914 VanDerWaalsContact O-CB 3.31Å; L910-A914 WeakPolarHBondContact O-CB 3.47Å; L910-A914 PolarHBondContact O-N 3.18Å; L910-F947 HydrophobicContact CD2-CD1 4.47Å; L910-F947 HydrophobicContact CD2-CE1 4.27Å; L910-L950 HydrophobicContact CD2-CD1 4.46Å; L910-L958 HydrophobicContact CB-CD1 4.22Å; L910-L958 HydrophobicContact CD1-CD1 3.69Å; L910-L958 HydrophobicContact CD2-CD1 3.55Å; L910-L958 HydrophobicContact CD2-CD2 3.17Å; L910-L958 HydrophobicContact CD2-CG 3.96Å; L910-L958 HydrophobicContact CG-CD1 3.97Å; L910-L958 HydrophobicContact CG-CD2 4.39Å
911	D	76.4	Confident	72.4	Confident	9 Å²	9	36.9 Å²	36.9	5%	0.048	20%	0.198	C	C	.	.	H	α-helix	trans	-71.2	-40.7	-176.2	-62.1	-32.2	0	0	0	112.2	H821 L824 Q907 L908 N913 A914 M915	H821-D911 WeakPolarHBondContact CA-OD2 3.09Å; H821-D911 WeakPolarHBondContact CB-OD2 3.16Å; H821-D911 IonicContact CE1-OD1 3.34Å; H821-D911 IonicContact CG-OD1 3.57Å; H821-D911 IonicContact CG-OD2 3.75Å; H821-D911 IonicContact ND1-OD1 2.83Å; H821-D911 PolarHBondContact ND1-OD1 3.07Å; H821-D911 IonicContact ND1-OD2 3.91Å; L824-D911 HydrophobicContact CD1-CB 3.39Å; Q907-D911 PolarHBondContact NE2-OD1 3.32Å; Q907-D911 PolarHBondContact NE2-OD2 2.66Å; Q907-D911 PolarHBondContact O-N 3.36Å; L908-D911 PolarHBondContact O-N 2.91Å; D911-N913 VanDerWaalsContact C-N 3.33Å; D911-N913 PolarHBondContact O-N 3.41Å; D911-A914 PolarHBondContact O-N 3.3Å; D911-M915 WeakPolarHBondContact O-CG 3.45Å; D911-M915 PolarHBondContact O-N 2.78Å
912	L	76	Confident	72.8	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-64.6	-38	173.5	-69.1	175.3	0	0	0	111.8	I888 L908 K916 L932 I935	I888-L912 HydrophobicContact CG2-CD2 4.21Å; L908-L912 HydrophobicContact CD1-CD1 4.22Å; L908-L912 HydrophobicContact CD1-CG 4.23Å; L908-L912 HydrophobicContact CG-CD1 4.07Å; L908-L912 HydrophobicContact CG-CG 4.46Å; L908-L912 WeakPolarHBondContact O-CB 3.11Å; L908-L912 VanDerWaalsContact O-CG 3.32Å; L908-L912 WeakPolarHBondContact O-CG 3.42Å; L908-L912 PolarHBondContact O-N 3.4Å; L912-K916 PolarHBondContact O-N 2.92Å; L912-K916 VanDerWaalsContact O-N 3.16Å; L912-L932 HydrophobicContact CD2-CD1 4.3Å; L912-I935 HydrophobicContact CD1-CG2 3.76Å
913	N	72.8	Confident	73.3	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.6	-45.4	172.2	-89.6	-50.5	0	0	0	112	T909 L910 D911 M915 K916 L917 I943 F947	T909-N913 VanDerWaalsContact O-CB 3.26Å; T909-N913 WeakPolarHBondContact O-CB 3.43Å; T909-N913 PolarHBondContact O-N 3.07Å; T909-N913 PolarHBondContact O-ND2 2.95Å; L910-N913 WeakPolarHBondContact O-CB 3.33Å; L910-N913 PolarHBondContact O-N 2.71Å; D911-N913 VanDerWaalsContact C-N 3.33Å; D911-N913 PolarHBondContact O-N 3.41Å; N913-M915 VanDerWaalsContact C-N 3.34Å; N913-M915 PolarHBondContact O-N 3.47Å; N913-K916 PolarHBondContact O-N 3.41Å; N913-L917 WeakPolarHBondContact O-CB 3.4Å; N913-L917 VanDerWaalsContact O-CG 3.29Å; N913-L917 WeakPolarHBondContact O-CG 3.3Å; N913-L917 PolarHBondContact O-N 2.8Å; N913-I943 WeakPolarHBondContact OD1-CA 3.34Å; N913-I943 WeakPolarHBondContact OD1-CB 3.5Å; N913-I943 WeakPolarHBondContact OD1-CG1 3.36Å; N913-I943 WeakPolarHBondContact OD1-CG2 3.5Å; N913-F947 HydrophobicContact CB-CE1 4Å; N913-F947 HydrophobicContact CB-CZ 4.5Å
914	A	72.6	Confident	73.8	Confident	16 Å²	16	25.3 Å²	25.3	13%	0.132	14%	0.136	C	C	.	.	H	α-helix	trans	-60	-44.7	178	0	0	0	0	0	110.8	L910 D911 K916 L917 I918 L962	L910-A914 VanDerWaalsContact O-CB 3.31Å; L910-A914 WeakPolarHBondContact O-CB 3.47Å; L910-A914 PolarHBondContact O-N 3.18Å; D911-A914 PolarHBondContact O-N 3.3Å; A914-K916 PolarHBondContact O-N 3.48Å; A914-L917 PolarHBondContact O-N 3.43Å; A914-I918 HydrophobicContact CB-CD1 4.37Å; A914-I918 VanDerWaalsContact O-CB 3.31Å; A914-I918 WeakPolarHBondContact O-CB 3.46Å; A914-I918 WeakPolarHBondContact O-CD1 3.36Å; A914-I918 WeakPolarHBondContact O-CG1 2.92Å; A914-I918 PolarHBondContact O-N 3.24Å; A914-L962 HydrophobicContact CB-CD1 4.18Å; A914-L962 HydrophobicContact CB-CG 4.25Å
915	M	77.3	Confident	74.3	Confident	11 Å²	11	26.8 Å²	26.8	5%	0.054	15%	0.145	C	C	.	.	H	α-helix	trans	-56.2	-49.2	174	-75.8	-124.6	-66	0	0	112.4	L824 L828 L884 I888 D911 N913 L917 I918 L919	L824-M915 HydrophobicContact CD2-CE 3.87Å; L824-M915 HydrophobicContact CD2-CG 4.38Å; L824-M915 HydrophobicContact CD2-SD 3.84Å; L828-M915 HydrophobicContact CD1-CG 4.29Å; L828-M915 HydrophobicContact CD2-CG 4.31Å; L828-M915 HydrophobicContact CD2-SD 4.02Å; L828-M915 HydrophobicContact CG-CG 4.46Å; L828-M915 HydrophobicContact CG-SD 4.27Å; L884-M915 HydrophobicContact CD2-CE 4.25Å; L884-M915 HydrophobicContact CD2-SD 4.4Å; I888-M915 HydrophobicContact CD1-CE 3.51Å; D911-M915 WeakPolarHBondContact O-CG 3.45Å; D911-M915 PolarHBondContact O-N 2.78Å; N913-M915 VanDerWaalsContact C-N 3.34Å; N913-M915 PolarHBondContact O-N 3.47Å; M915-L917 VanDerWaalsContact C-N 3.27Å; M915-L917 PolarHBondContact O-N 3.47Å; M915-I918 PolarHBondContact O-N 3.43Å; M915-L919 WeakPolarHBondContact O-CB 3.3Å; M915-L919 PolarHBondContact O-N 2.89Å
916	K	75.7	Confident	74.9	Confident	62 Å²	62	30 Å²	30	27%	0.27	16%	0.164	S	C	.	.	H	α-helix	trans	-67.8	-25.7	179.7	-159	-175.1	-170.8	169.5	0	113.3	L912 N913 A914 F924 L932 I943	L912-K916 PolarHBondContact O-N 2.92Å; L912-K916 VanDerWaalsContact O-N 3.16Å; N913-K916 PolarHBondContact O-N 3.41Å; A914-K916 PolarHBondContact O-N 3.48Å; K916-F924 HydrophobicContact CG-CZ 4.41Å; K916-L932 HydrophobicContact CD-CD2 3.83Å; K916-L932 HydrophobicContact CG-CD2 4.25Å; K916-I943 HydrophobicContact CB-CG2 4.41Å; K916-I943 HydrophobicContact CD-CD1 4.33Å; K916-I943 HydrophobicContact CD-CG2 3.34Å; K916-I943 HydrophobicContact CG-CG2 4.46Å
917	L	72.9	Confident	75.6	Confident	44 Å²	44	31.8 Å²	31.8	23%	0.23	17%	0.171	C	C	.	.	H	α-helix	trans	-88.7	-24.8	179.4	-75.1	168.3	0	0	0	113.4	N913 A914 M915 P945 L962 R966	N913-L917 WeakPolarHBondContact O-CB 3.4Å; N913-L917 VanDerWaalsContact O-CG 3.29Å; N913-L917 WeakPolarHBondContact O-CG 3.3Å; N913-L917 PolarHBondContact O-N 2.8Å; A914-L917 PolarHBondContact O-N 3.43Å; M915-L917 VanDerWaalsContact C-N 3.27Å; M915-L917 PolarHBondContact O-N 3.47Å; L917-P945 HydrophobicContact CD2-CB 4.3Å; L917-L962 HydrophobicContact CB-CD2 3.66Å; L917-L962 HydrophobicContact CD1-CD1 3.58Å; L917-L962 HydrophobicContact CD1-CD2 3.86Å; L917-L962 HydrophobicContact CD1-CG 4.38Å; L917-L962 HydrophobicContact CG-CD2 4.4Å; L917-R966 PolarHBondContact O-NE 2.93Å; L917-R966 PolarHBondContact O-NH2 3.28Å
918	I	74.1	Confident	76.1	Confident	5 Å²	5	30 Å²	30	3%	0.026	16%	0.162	C	C	.	.	H	α-helix	trans	-85.9	-47.9	177.7	-70.8	166.8	0	0	0	110.3	L828 A914 M915 E965 R966 M969 L972 I973	L828-I918 HydrophobicContact CD1-CD1 3.89Å; L828-I918 HydrophobicContact CD2-CG2 4.45Å; A914-I918 HydrophobicContact CB-CD1 4.37Å; A914-I918 VanDerWaalsContact O-CB 3.31Å; A914-I918 WeakPolarHBondContact O-CB 3.46Å; A914-I918 WeakPolarHBondContact O-CD1 3.36Å; A914-I918 WeakPolarHBondContact O-CG1 2.92Å; A914-I918 PolarHBondContact O-N 3.24Å; M915-I918 PolarHBondContact O-N 3.43Å; I918-E965 HydrophobicContact CD1-CB 4.05Å; I918-R966 HydrophobicContact CG1-CG 4.06Å; I918-M969 HydrophobicContact CD1-SD 4.12Å; I918-M969 HydrophobicContact CG2-CB 4.47Å; I918-M969 HydrophobicContact CG2-SD 3.77Å; I918-L972 HydrophobicContact CG2-CD2 4.4Å; I918-I973 HydrophobicContact CG2-CD1 4.19Å; I918-I973 HydrophobicContact CG2-CG1 4.25Å
919	L	76.8	Confident	76.5	Confident	5 Å²	5	31.6 Å²	31.6	3%	0.026	17%	0.171	C	C	.	.	S	Bend	trans	-76.2	133.1	178.6	-64.7	173.1	0	0	0	110	L828 L831 I881 M915 S921 F924 L972 L976	L828-L919 HydrophobicContact CD2-CD1 4.23Å; L828-L919 HydrophobicContact CD2-CD2 4.29Å; L828-L919 HydrophobicContact CD2-CG 4.1Å; L831-L919 HydrophobicContact CD1-CD1 4.12Å; L831-L919 HydrophobicContact CD1-CD2 3.92Å; I881-L919 HydrophobicContact CD1-CD1 4.46Å; M915-L919 WeakPolarHBondContact O-CB 3.3Å; M915-L919 PolarHBondContact O-N 2.89Å; L919-S921 PolarHBondContact O-N 3.44Å; L919-F924 HydrophobicContact CB-CE2 3.7Å; L919-F924 HydrophobicContact CB-CZ 3.82Å; L919-F924 HydrophobicContact CD1-CZ 4.08Å; L919-L972 HydrophobicContact CD2-CD2 4.32Å; L919-L976 HydrophobicContact CD2-CD1 4.18Å
920	P	74.1	Confident	77.2	Confident	16 Å²	16	36.3 Å²	36.3	10%	0.104	19%	0.191	C	C	.	.			trans	-56.6	137.6	176.7	-28.9	36.5	0	0	0	112.9	Y922 L923 F924 L976 T977	P920-Y922 HydrophobicContact CB-CD1 3.52Å; P920-Y922 HydrophobicContact CB-CE1 3.17Å; P920-Y922 HydrophobicContact CB-CG 4.42Å; P920-Y922 HydrophobicContact CG-CE1 3.91Å; P920-Y922 PolarHBondContact O-N 3.29Å; P920-Y922 VanDerWaalsContact O-N 3.11Å; P920-L923 HydrophobicContact CB-CD1 4.44Å; P920-L923 HydrophobicContact CB-CG 4.47Å; P920-L923 HydrophobicContact CG-CD1 4.33Å; P920-L923 WeakPolarHBondContact O-CB 3.32Å; P920-L923 PolarHBondContact O-N 3.36Å; P920-L923 VanDerWaalsContact O-N 3.08Å; P920-F924 WeakPolarHBondContact O-CD2 3.31Å; P920-L976 HydrophobicContact CG-CB 3.68Å; P920-L976 HydrophobicContact CG-CD1 4.36Å; P920-T977 HydrophobicContact CG-CG2 4.41Å
921	S	73.1	Confident	77.7	Confident	99 Å²	99	35.7 Å²	35.7	69%	0.692	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-59.4	-28.1	-175.4	53.8	0	0	0	0	114	L919 L923 F924	L919-S921 PolarHBondContact O-N 3.44Å; S921-L923 VanDerWaalsContact C-N 3.27Å; S921-L923 PolarHBondContact O-N 3.42Å; S921-F924 PolarHBondContact O-N 3.35Å
922	Y	75.4	Confident	77.7	Confident	41 Å²	41	35.7 Å²	35.7	16%	0.161	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-70.4	-22.5	-179.1	71.5	-101.3	0	0	0	112.9	Q874 H878 P920 F924 L976 Q980	Q874-Y922 HydrophobicContact CG-CD2 4.47Å; Q874-Y922 HydrophobicContact CG-CE2 4.03Å; H878-Y922 PolarHBondContact NE2-O 2.9Å; P920-Y922 HydrophobicContact CB-CD1 3.52Å; P920-Y922 HydrophobicContact CB-CE1 3.17Å; P920-Y922 HydrophobicContact CB-CG 4.42Å; P920-Y922 HydrophobicContact CG-CE1 3.91Å; P920-Y922 PolarHBondContact O-N 3.29Å; P920-Y922 VanDerWaalsContact O-N 3.11Å; Y922-F924 PolarHBondContact O-N 3.09Å; Y922-L976 VanDerWaalsContact OH-C 3.27Å; Y922-L976 PolarHBondContact OH-O 3.38Å; Y922-Q980 HydrophobicContact CD1-CB 4.2Å; Y922-Q980 HydrophobicContact CD1-CG 4.01Å; Y922-Q980 HydrophobicContact CE1-CB 3.78Å; Y922-Q980 HydrophobicContact CE1-CG 4.13Å
923	L	77.3	Confident	77.8	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-73.8	-14.5	178	-66.9	175.7	0	0	0	113	Q874 F877 H878 I881 P920 S921 T925 L976	Q874-L923 HydrophobicContact CG-CD2 4.43Å; F877-L923 HydrophobicContact CB-CD2 3.88Å; H878-L923 PolarHBondContact CD2-O 2.99Å; H878-L923 VanDerWaalsContact CD2-O 3.26Å; I881-L923 HydrophobicContact CD1-CB 3.51Å; I881-L923 HydrophobicContact CD1-CD1 3.58Å; I881-L923 HydrophobicContact CD1-CD2 4.49Å; I881-L923 HydrophobicContact CD1-CG 4.05Å; P920-L923 HydrophobicContact CB-CD1 4.44Å; P920-L923 HydrophobicContact CB-CG 4.47Å; P920-L923 HydrophobicContact CG-CD1 4.33Å; P920-L923 WeakPolarHBondContact O-CB 3.32Å; P920-L923 PolarHBondContact O-N 3.36Å; P920-L923 VanDerWaalsContact O-N 3.08Å; S921-L923 VanDerWaalsContact C-N 3.27Å; S921-L923 PolarHBondContact O-N 3.42Å; L923-T925 PolarHBondContact O-N 2.99Å; L923-L976 HydrophobicContact CD1-CB 4.49Å; L923-L976 HydrophobicContact CD1-CD1 3.85Å; L923-L976 HydrophobicContact CD1-CD2 4Å; L923-L976 HydrophobicContact CD1-CG 4.34Å
924	F	79	Confident	78.1	Confident	16 Å²	16	43.2 Å²	43.2	7%	0.07	23%	0.227	C	C	.	.	S	Bend	trans	-86.6	109.5	177.9	-65.1	-93.1	0	0	0	109.5	I881 I885 K916 L919 P920 S921 Y922 S928 N929	I881-F924 HydrophobicContact CG2-CD1 4.2Å; I881-F924 HydrophobicContact CG2-CE1 4.23Å; I885-F924 HydrophobicContact CD1-CD1 3.35Å; I885-F924 HydrophobicContact CD1-CE1 3.41Å; I885-F924 VanDerWaalsContact CD1-CE1 3.41Å; K916-F924 HydrophobicContact CG-CZ 4.41Å; L919-F924 HydrophobicContact CB-CE2 3.7Å; L919-F924 HydrophobicContact CB-CZ 3.82Å; L919-F924 HydrophobicContact CD1-CZ 4.08Å; P920-F924 WeakPolarHBondContact O-CD2 3.31Å; S921-F924 PolarHBondContact O-N 3.35Å; Y922-F924 PolarHBondContact O-N 3.09Å; F924-S928 VanDerWaalsContact C-OG 3.27Å; F924-S928 VanDerWaalsContact CA-OG 3.25Å; F924-S928 WeakPolarHBondContact CA-OG 3.38Å; F924-S928 WeakPolarHBondContact CB-OG 3.36Å; F924-N929 WeakPolarHBondContact CB-ND2 3.41Å; F924-N929 PolarHBondContact O-ND2 2.84Å
925	T	80.2	Confident	78.2	Confident	33 Å²	33	42.5 Å²	42.5	20%	0.202	22%	0.221	C	C	.	.			trans	-62.4	161.8	170.5	66.8	0	0	0	0	111.3	H878 Q882 L923 E927 S928 N929	H878-T925 HydrophobicContact CB-CG2 4.13Å; Q882-T925 PolarHBondContact OE1-OG1 2.76Å; Q882-T925 VanDerWaalsContact OE1-OG1 3.12Å; L923-T925 PolarHBondContact O-N 2.99Å; T925-E927 PolarHBondContact O-N 3.48Å; T925-S928 PolarHBondContact N-OG 3.23Å; T925-S928 PolarHBondContact O-N 3.43Å; T925-S928 PolarHBondContact O-OG 2.93Å; T925-S928 WeakPolarHBondContact OG1-CB 3.39Å; T925-S928 PolarHBondContact OG1-N 3.3Å; T925-N929 PolarHBondContact O-N 3.36Å; T925-N929 PolarHBondContact O-ND2 3.36Å
926	N	81.6	Confident	77.9	Confident	136 Å²	136	42.4 Å²	42.4	73%	0.727	22%	0.221	S	C	*	.	H	α-helix	trans	-56.3	-38.7	176.9	-78.2	-20.4	0	0	0	112.2	N929 K930	N926-N929 PolarHBondContact O-N 2.74Å; N926-K930 VanDerWaalsContact O-CG 3.32Å; N926-K930 WeakPolarHBondContact O-CG 3.23Å; N926-K930 PolarHBondContact O-N 3.41Å
927	E	83.9	Confident	77.8	Confident	91 Å²	91	43.6 Å²	43.6	43%	0.425	24%	0.238	S	C	.	.	H	α-helix	trans	-66.8	-46.2	176.4	-68.5	-52.9	138.7	0	0	112	T925 N929 K930 L931	T925-E927 PolarHBondContact O-N 3.48Å; E927-N929 VanDerWaalsContact C-N 3.26Å; E927-N929 PolarHBondContact O-N 2.71Å; E927-K930 WeakPolarHBondContact O-CB 3.06Å; E927-K930 PolarHBondContact O-N 3.31Å; E927-K930 IonicContact OE1-NZ 3.71Å; E927-K930 PolarHBondContact OE1-NZ 3.03Å; E927-K930 IonicContact OE2-NZ 2.76Å; E927-L931 WeakPolarHBondContact O-CG 3.24Å; E927-L931 PolarHBondContact O-N 3.21Å
928	S	82.4	Confident	77.6	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-58.6	-38.8	177.5	81.3	0	0	0	0	111.9	F924 T925 L932	F924-S928 VanDerWaalsContact C-OG 3.27Å; F924-S928 VanDerWaalsContact CA-OG 3.25Å; F924-S928 WeakPolarHBondContact CA-OG 3.38Å; F924-S928 WeakPolarHBondContact CB-OG 3.36Å; T925-S928 PolarHBondContact N-OG 3.23Å; T925-S928 PolarHBondContact O-N 3.43Å; T925-S928 PolarHBondContact O-OG 2.93Å; T925-S928 WeakPolarHBondContact OG1-CB 3.39Å; T925-S928 PolarHBondContact OG1-N 3.3Å; S928-L932 WeakPolarHBondContact O-CB 2.92Å; S928-L932 PolarHBondContact O-N 3.2Å
929	N	82.5	Confident	77	Confident	40 Å²	40	49.2 Å²	49.2	21%	0.214	26%	0.256	C	S	.	.	H	α-helix	trans	-67.9	-37.7	173.9	-82.5	-61.7	0	0	0	112.9	F924 T925 N926 E927 N933	F924-N929 WeakPolarHBondContact CB-ND2 3.41Å; F924-N929 PolarHBondContact O-ND2 2.84Å; T925-N929 PolarHBondContact O-N 3.36Å; T925-N929 PolarHBondContact O-ND2 3.36Å; N926-N929 PolarHBondContact O-N 2.74Å; E927-N929 VanDerWaalsContact C-N 3.26Å; E927-N929 PolarHBondContact O-N 2.71Å; N929-N933 WeakPolarHBondContact O-CB 3.41Å; N929-N933 PolarHBondContact O-N 3.1Å; N929-N933 PolarHBondContact O-ND2 2.72Å
930	K	84.2	Confident	76.4	Confident	108 Å²	108	58.5 Å²	58.5	47%	0.47	30%	0.296	S	S	.	.	H	α-helix	trans	-63.3	-47.7	175.3	-73.5	171.2	-171.7	172.7	0	111.2	N926 E927 L932 N933 I934	N926-K930 VanDerWaalsContact O-CG 3.32Å; N926-K930 WeakPolarHBondContact O-CG 3.23Å; N926-K930 PolarHBondContact O-N 3.41Å; E927-K930 WeakPolarHBondContact O-CB 3.06Å; E927-K930 PolarHBondContact O-N 3.31Å; E927-K930 IonicContact OE1-NZ 3.71Å; E927-K930 PolarHBondContact OE1-NZ 3.03Å; E927-K930 IonicContact OE2-NZ 2.76Å; K930-L932 VanDerWaalsContact C-N 3.33Å; K930-L932 PolarHBondContact O-N 2.85Å; K930-N933 CarbonylContact O-C 3.55Å; K930-N933 WeakPolarHBondContact O-CB 3.36Å; K930-N933 PolarHBondContact O-N 2.79Å; K930-N933 VanDerWaalsContact O-N 3.13Å; K930-I934 WeakPolarHBondContact O-CG1 3.49Å; K930-I934 PolarHBondContact O-N 3.46Å
931	L	82.5	Confident	75.8	Confident	16 Å²	16	58.4 Å²	58.4	8%	0.084	30%	0.295	C	S	.	.	H	α-helix	trans	-60.8	-43.7	178.9	-65.4	166.1	0	0	0	111.3	I885 Q886 H889 E927 N933 I934 I935	I885-L931 HydrophobicContact CG2-CB 3.78Å; I885-L931 HydrophobicContact CG2-CD1 4.25Å; Q886-L931 HydrophobicContact CB-CD1 4.36Å; H889-L931 HydrophobicContact CB-CB 4.21Å; H889-L931 HydrophobicContact CB-CD2 4.29Å; E927-L931 WeakPolarHBondContact O-CG 3.24Å; E927-L931 PolarHBondContact O-N 3.21Å; L931-N933 VanDerWaalsContact C-N 3.33Å; L931-N933 PolarHBondContact O-N 3.28Å; L931-I934 WeakPolarHBondContact O-CB 3.44Å; L931-I934 PolarHBondContact O-N 2.67Å; L931-I935 WeakPolarHBondContact O-CG1 3.45Å; L931-I935 PolarHBondContact O-N 3.21Å
932	L	77.4	Confident	75.2	Confident	9 Å²	9	60 Å²	60	5%	0.047	29%	0.289	C	S	.	.	H	α-helix	trans	-61.6	-41.9	174.8	-166.7	67.9	0	0	0	111.4	L912 K916 S928 K930 I934 I935 C936 I943	L912-L932 HydrophobicContact CD2-CD1 4.3Å; K916-L932 HydrophobicContact CD-CD2 3.83Å; K916-L932 HydrophobicContact CG-CD2 4.25Å; S928-L932 WeakPolarHBondContact O-CB 2.92Å; S928-L932 PolarHBondContact O-N 3.2Å; K930-L932 VanDerWaalsContact C-N 3.33Å; K930-L932 PolarHBondContact O-N 2.85Å; L932-I934 VanDerWaalsContact C-N 3.33Å; L932-I934 PolarHBondContact O-N 3.36Å; L932-I935 WeakPolarHBondContact O-CB 3.47Å; L932-I935 PolarHBondContact O-N 2.92Å; L932-C936 WeakPolarHBondContact O-CB 3.47Å; L932-C936 PolarHBondContact O-N 2.91Å; L932-C936 PolarHBondContact O-SG 2.71Å; L932-I943 HydrophobicContact CD1-CD1 4.05Å; L932-I943 HydrophobicContact CD2-CD1 3.59Å; L932-I943 HydrophobicContact CG-CD1 3.59Å
933	N	78.5	Confident	74.3	Confident	87 Å²	87	59.8 Å²	59.8	47%	0.465	29%	0.29	S	S	.	.	H	α-helix	trans	-65.9	-33	175.7	-71.8	-22.5	0	0	0	112.8	N929 K930 L931 C936 S937	N929-N933 WeakPolarHBondContact O-CB 3.41Å; N929-N933 PolarHBondContact O-N 3.1Å; N929-N933 PolarHBondContact O-ND2 2.72Å; K930-N933 CarbonylContact O-C 3.55Å; K930-N933 WeakPolarHBondContact O-CB 3.36Å; K930-N933 PolarHBondContact O-N 2.79Å; K930-N933 VanDerWaalsContact O-N 3.13Å; L931-N933 VanDerWaalsContact C-N 3.33Å; L931-N933 PolarHBondContact O-N 3.28Å; N933-C936 PolarHBondContact O-N 2.93Å; N933-S937 VanDerWaalsContact O-CB 3.31Å; N933-S937 WeakPolarHBondContact O-CB 3.31Å; N933-S937 PolarHBondContact O-N 3.3Å; N933-S937 PolarHBondContact O-OG 3.17Å
934	I	78.4	Confident	73.5	Confident	72 Å²	72	62.1 Å²	62.1	37%	0.369	31%	0.305	S	S	.	.	H	α-helix	trans	-63.9	-49.9	174.6	-70.3	164.9	0	0	0	109.8	K930 L931 L932 C936 S937 R938	K930-I934 WeakPolarHBondContact O-CG1 3.49Å; K930-I934 PolarHBondContact O-N 3.46Å; L931-I934 WeakPolarHBondContact O-CB 3.44Å; L931-I934 PolarHBondContact O-N 2.67Å; L932-I934 VanDerWaalsContact C-N 3.33Å; L932-I934 PolarHBondContact O-N 3.36Å; I934-C936 VanDerWaalsContact C-N 3.27Å; I934-C936 PolarHBondContact O-N 3Å; I934-S937 PolarHBondContact O-N 2.98Å; I934-S937 PolarHBondContact O-OG 3.49Å; I934-R938 WeakPolarHBondContact O-CB 3.29Å; I934-R938 PolarHBondContact O-N 3.1Å
935	I	74.3	Confident	72.4	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-53.3	-49.8	173	-63	165.8	0	0	0	109	I888 H889 L892 L912 L931 L932 S937 R938 Y939	I888-I935 HydrophobicContact CG2-CD1 4.04Å; H889-I935 HydrophobicContact CB-CD1 4.03Å; H889-I935 HydrophobicContact CB-CG1 4.41Å; L892-I935 HydrophobicContact CD1-CD1 4.46Å; L892-I935 HydrophobicContact CD1-CG2 4.12Å; L912-I935 HydrophobicContact CD1-CG2 3.76Å; L931-I935 WeakPolarHBondContact O-CG1 3.45Å; L931-I935 PolarHBondContact O-N 3.21Å; L932-I935 WeakPolarHBondContact O-CB 3.47Å; L932-I935 PolarHBondContact O-N 2.92Å; I935-S937 PolarHBondContact O-N 2.91Å; I935-R938 PolarHBondContact O-N 2.98Å; I935-Y939 HydrophobicContact CG2-CD2 3.79Å; I935-Y939 HydrophobicContact CG2-CE2 3.89Å; I935-Y939 WeakPolarHBondContact O-CD2 3.48Å; I935-Y939 PolarHBondContact O-N 3.28Å
936	C	72.7	Confident	71.1	Confident	9 Å²	9	69.7 Å²	69.7	6%	0.061	35%	0.354	C	S	.	.	H	α-helix	trans	-61	-46.7	-178.9	-69.8	0	0	0	0	114.1	L932 N933 I934 Y939 K940 I941 I943	L932-C936 WeakPolarHBondContact O-CB 3.47Å; L932-C936 PolarHBondContact O-N 2.91Å; L932-C936 PolarHBondContact O-SG 2.71Å; N933-C936 PolarHBondContact O-N 2.93Å; I934-C936 VanDerWaalsContact C-N 3.27Å; I934-C936 PolarHBondContact O-N 3Å; C936-Y939 PolarHBondContact O-N 3.26Å; C936-K940 PolarHBondContact O-N 2.91Å; C936-K940 VanDerWaalsContact O-N 3.09Å; C936-I941 HydrophobicContact CB-CB 4.41Å; C936-I941 VanDerWaalsContact CB-O 3.3Å; C936-I941 WeakPolarHBondContact CB-O 3.26Å; C936-I941 PolarHBondContact O-N 3.37Å; C936-I943 WeakPolarHBondContact SG-CD1 3.18Å; C936-I943 WeakPolarHBondContact SG-CG1 3.27Å
937	S	72.1	Confident	69.9	Low	88 Å²	88	63.7 Å²	63.7	62%	0.615	32%	0.321	S	S	*	.	H	α-helix	trans	-64.8	-40.5	-178.6	68.3	0	0	0	0	112.2	N933 I934 I935 Y939	N933-S937 VanDerWaalsContact O-CB 3.31Å; N933-S937 WeakPolarHBondContact O-CB 3.31Å; N933-S937 PolarHBondContact O-N 3.3Å; N933-S937 PolarHBondContact O-OG 3.17Å; I934-S937 PolarHBondContact O-N 2.98Å; I934-S937 PolarHBondContact O-OG 3.49Å; I935-S937 PolarHBondContact O-N 2.91Å; S937-Y939 VanDerWaalsContact C-N 3.31Å; S937-Y939 PolarHBondContact O-N 2.92Å
938	R	68.4	Low	68.5	Low	131 Å²	131	63.4 Å²	63.4	49%	0.494	33%	0.329	S	S	.	.	H	α-helix	trans	-67.3	-33.2	-178.5	-164.5	169.3	-173.1	146.7	-5.4	112.2	I934 I935	I934-R938 WeakPolarHBondContact O-CB 3.29Å; I934-R938 PolarHBondContact O-N 3.1Å; I935-R938 PolarHBondContact O-N 2.98Å
939	Y	61.9	Low	67.4	Low	36 Å²	36	67.6 Å²	67.6	14%	0.141	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	10.5	-176	-53	-55	0	0	0	114	L892 R895 L897 I935 C936 S937 I941	L892-Y939 HydrophobicContact CB-CE2 4.44Å; L892-Y939 PolarHBondContact O-OH 3.42Å; R895-Y939 PolarHBondContact O-OH 3.27Å; L897-Y939 HydrophobicContact CB-CD1 3.59Å; L897-Y939 HydrophobicContact CB-CE1 3.57Å; L897-Y939 HydrophobicContact CB-CG 4.46Å; L897-Y939 HydrophobicContact CD1-CD1 3.77Å; L897-Y939 HydrophobicContact CD1-CD2 4.16Å; L897-Y939 HydrophobicContact CD1-CE1 3.19Å; L897-Y939 HydrophobicContact CD1-CE2 3.67Å; L897-Y939 HydrophobicContact CD1-CG 4.24Å; L897-Y939 WeakPolarHBondContact CD1-OH 3.4Å; L897-Y939 HydrophobicContact CG-CD1 4.16Å; L897-Y939 HydrophobicContact CG-CE1 3.94Å; I935-Y939 HydrophobicContact CG2-CD2 3.79Å; I935-Y939 HydrophobicContact CG2-CE2 3.89Å; I935-Y939 WeakPolarHBondContact O-CD2 3.48Å; I935-Y939 PolarHBondContact O-N 3.28Å; C936-Y939 PolarHBondContact O-N 3.26Å; S937-Y939 VanDerWaalsContact C-N 3.31Å; S937-Y939 PolarHBondContact O-N 2.92Å; Y939-I941 HydrophobicContact CD2-CD1 4.48Å; Y939-I941 PolarHBondContact O-N 2.97Å; Y939-I941 VanDerWaalsContact O-N 3.15Å
940	K	64.2	Low	66.2	Low	199 Å²	199	67.1 Å²	67.1	87%	0.865	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	26.7	-175.3	-60.5	-178.1	179.7	176.5	0	113.9	C936	C936-K940 PolarHBondContact O-N 2.91Å; C936-K940 VanDerWaalsContact O-N 3.09Å
941	I	62.2	Low	65.2	Low	15 Å²	15	68.6 Å²	68.6	8%	0.077	35%	0.352	C	S	.	.			trans	-82	125.3	178.6	-62.1	176.6	0	0	0	108.2	T909 C936 Y939 I943	T909-I941 HydrophobicContact CG2-CB 4.31Å; T909-I941 HydrophobicContact CG2-CG1 4.38Å; T909-I941 HydrophobicContact CG2-CG2 3.35Å; T909-I941 VanDerWaalsContact OG1-CD1 3.24Å; T909-I941 WeakPolarHBondContact OG1-CD1 3.29Å; T909-I941 WeakPolarHBondContact OG1-CG1 3.46Å; C936-I941 HydrophobicContact CB-CB 4.41Å; C936-I941 VanDerWaalsContact CB-O 3.3Å; C936-I941 WeakPolarHBondContact CB-O 3.26Å; C936-I941 PolarHBondContact O-N 3.37Å; Y939-I941 HydrophobicContact CD2-CD1 4.48Å; Y939-I941 PolarHBondContact O-N 2.97Å; Y939-I941 VanDerWaalsContact O-N 3.15Å; I941-I943 HydrophobicContact CG2-CG1 4.4Å
942	K	60.6	Low	64.4	Low	133 Å²	133	72.4 Å²	72.4	58%	0.578	38%	0.38	S	S	*	.			trans	-96.5	115.1	167.5	-74.8	-174.3	178.9	179.5	0	109	T944	K942-T944 PolarHBondContact O-N 2.9Å
943	I	57.2	Low	63.8	Low	35 Å²	35	79.5 Å²	79.5	18%	0.179	41%	0.412	C	S	.	.			trans	-80.7	95.9	166.8	-67.8	172.6	0	0	0	108.7	N913 K916 L932 C936 I941	N913-I943 WeakPolarHBondContact OD1-CA 3.34Å; N913-I943 WeakPolarHBondContact OD1-CB 3.5Å; N913-I943 WeakPolarHBondContact OD1-CG1 3.36Å; N913-I943 WeakPolarHBondContact OD1-CG2 3.5Å; K916-I943 HydrophobicContact CB-CG2 4.41Å; K916-I943 HydrophobicContact CD-CD1 4.33Å; K916-I943 HydrophobicContact CD-CG2 3.34Å; K916-I943 HydrophobicContact CG-CG2 4.46Å; L932-I943 HydrophobicContact CD1-CD1 4.05Å; L932-I943 HydrophobicContact CD2-CD1 3.59Å; L932-I943 HydrophobicContact CG-CD1 3.59Å; C936-I943 WeakPolarHBondContact SG-CD1 3.18Å; C936-I943 WeakPolarHBondContact SG-CG1 3.27Å; I941-I943 HydrophobicContact CG2-CG1 4.4Å
944	T	58.8	Low	63	Low	50 Å²	50	80 Å²	80	31%	0.307	41%	0.412	S	S	.	.			trans	-134.3	143.8	175.4	38.1	0	0	0	0	109.3	K942 V946	K942-T944 PolarHBondContact O-N 2.9Å; T944-V946 VanDerWaalsContact CB-O 3.29Å; T944-V946 WeakPolarHBondContact CB-O 3.24Å; T944-V946 PolarHBondContact O-N 3.09Å; T944-V946 VanDerWaalsContact O-N 3.1Å; T944-V946 PolarHBondContact OG1-O 3.01Å
945	P	55.9	Low	62.2	Low	101 Å²	101	77.9 Å²	77.9	66%	0.656	40%	0.404	S	S	*	.	S	Bend	trans	-60.9	-19.1	171.9	24.9	-32.6	0	0	0	112	L917	L917-P945 HydrophobicContact CD2-CB 4.3Å
946	V	54.5	Low	61.9	Low	107 Å²	107	83.3 Å²	83.3	65%	0.648	43%	0.429	S	S	*	.	S	Bend	trans	-107.2	115.7	175.1	-174.9	0	0	0	0	108.8	T944 S948	T944-V946 VanDerWaalsContact CB-O 3.29Å; T944-V946 WeakPolarHBondContact CB-O 3.24Å; T944-V946 PolarHBondContact O-N 3.09Å; T944-V946 VanDerWaalsContact O-N 3.1Å; T944-V946 PolarHBondContact OG1-O 3.01Å; V946-S948 PolarHBondContact O-N 2.96Å; V946-S948 VanDerWaalsContact O-N 3.1Å
947	F	55	Low	61.6	Low	9 Å²	9	89.1 Å²	89.1	4%	0.039	46%	0.455	C	S	.	.			trans	-82.9	81.8	-177.3	-55.9	-78.6	0	0	0	110.7	L910 N913 Y949 L950 S955 L958 L962	L910-F947 HydrophobicContact CD2-CD1 4.47Å; L910-F947 HydrophobicContact CD2-CE1 4.27Å; N913-F947 HydrophobicContact CB-CE1 4Å; N913-F947 HydrophobicContact CB-CZ 4.5Å; F947-Y949 WeakPolarHBondContact CD1-OH 3.42Å; F947-Y949 PolarHBondContact O-N 2.73Å; F947-L950 HydrophobicContact CB-CB 4.28Å; F947-L950 HydrophobicContact CB-CD1 3.73Å; F947-L950 HydrophobicContact CB-CG 4.16Å; F947-L950 HydrophobicContact CG-CD1 4.15Å; F947-L950 PolarHBondContact O-N 3.07Å; F947-S955 PolarHBondContact O-OG 3.38Å; F947-L958 HydrophobicContact CB-CD2 4.38Å; F947-L958 HydrophobicContact CD1-CD2 3.59Å; F947-L958 HydrophobicContact CD2-CD2 3.31Å; F947-L958 HydrophobicContact CD2-CG 4.12Å; F947-L958 HydrophobicContact CE1-CD2 3.52Å; F947-L958 HydrophobicContact CE1-CG 4.43Å; F947-L958 HydrophobicContact CE2-CB 4.44Å; F947-L958 HydrophobicContact CE2-CD2 3.24Å; F947-L958 HydrophobicContact CE2-CG 3.66Å; F947-L958 HydrophobicContact CG-CD2 3.47Å; F947-L958 VanDerWaalsContact CG-CD2 3.47Å; F947-L958 HydrophobicContact CZ-CD2 3.35Å; F947-L958 HydrophobicContact CZ-CG 3.83Å; F947-L962 HydrophobicContact CZ-CD1 4.07Å
948	S	55.1	Low	61	Low	86 Å²	86	85.5 Å²	85.5	60%	0.601	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-11.9	-171.5	62.3	0	0	0	0	115.6	V946	V946-S948 PolarHBondContact O-N 2.96Å; V946-S948 VanDerWaalsContact O-N 3.1Å
949	Y	58.5	Low	60.9	Low	88 Å²	88	82.2 Å²	82.2	35%	0.345	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-5.2	-177.6	49.2	-94	0	0	0	113.5	L906 T909 F947	L906-Y949 HydrophobicContact CD2-CD2 3.94Å; L906-Y949 HydrophobicContact CD2-CE2 3.87Å; T909-Y949 WeakPolarHBondContact CG2-OH 3.18Å; F947-Y949 WeakPolarHBondContact CD1-OH 3.42Å; F947-Y949 PolarHBondContact O-N 2.73Å
950	L	58	Low	61.3	Low	30 Å²	30	87.3 Å²	87.3	16%	0.157	45%	0.448	C	S	.	.	S	Bend	trans	-101.2	149.9	178.8	-68.7	177.4	0	0	0	110.1	L906 L910 F947 E954 L958	L906-L950 HydrophobicContact CD2-CD2 4.44Å; L910-L950 HydrophobicContact CD2-CD1 4.46Å; F947-L950 HydrophobicContact CB-CB 4.28Å; F947-L950 HydrophobicContact CB-CD1 3.73Å; F947-L950 HydrophobicContact CB-CG 4.16Å; F947-L950 HydrophobicContact CG-CD1 4.15Å; F947-L950 PolarHBondContact O-N 3.07Å; L950-E954 WeakPolarHBondContact CA-OE2 3.44Å; L950-E954 HydrophobicContact CB-CB 3.85Å; L950-E954 HydrophobicContact CD1-CB 4.42Å; L950-E954 HydrophobicContact CD2-CB 4.22Å; L950-E954 WeakPolarHBondContact CD2-OE2 3.47Å; L950-E954 HydrophobicContact CG-CB 4.37Å; L950-L958 HydrophobicContact CD1-CD2 3.53Å
951	E	63.9	Low	61.4	Low	139 Å²	139	80.9 Å²	80.9	65%	0.65	42%	0.423	S	S	*	.			trans	-62	160.3	170.1	-70.1	-172	170.3	0	0	110.9	E953 E954 S955	E951-E953 PolarHBondContact O-N 3.4Å; E951-E954 HydrophobicContact CB-CG 4.32Å; E951-E954 PolarHBondContact N-OE2 3.07Å; E951-E954 PolarHBondContact O-N 3Å; E951-E954 VanDerWaalsContact O-N 3.15Å; E951-S955 PolarHBondContact O-N 2.96Å; E951-S955 PolarHBondContact O-OG 3.15Å
952	S	64.2	Low	61.7	Low	96 Å²	96	80.8 Å²	80.8	67%	0.671	42%	0.423	S	S	*	.	H	α-helix	trans	-57.4	-34.1	-177.2	-173.9	0	0	0	0	112.7	Q956	S952-Q956 PolarHBondContact O-N 3.14Å
953	E	65.1	Low	62.1	Low	157 Å²	157	79.4 Å²	79.4	73%	0.734	42%	0.418	S	S	*	.	H	α-helix	trans	-72.1	-43.9	177.1	-68.4	-168.2	169.2	0	0	112.1	E951 Q956 H957	E951-E953 PolarHBondContact O-N 3.4Å; E953-Q956 PolarHBondContact O-N 2.8Å; E953-H957 PolarHBondContact O-N 3.21Å
954	E	62.1	Low	62.8	Low	97 Å²	97	83.8 Å²	83.8	45%	0.453	44%	0.436	S	S	.	.	H	α-helix	trans	-62.4	-43.8	177.4	-66.5	179.7	144.1	0	0	111.3	L950 E951 Q956 H957 L958	L950-E954 WeakPolarHBondContact CA-OE2 3.44Å; L950-E954 HydrophobicContact CB-CB 3.85Å; L950-E954 HydrophobicContact CD1-CB 4.42Å; L950-E954 HydrophobicContact CD2-CB 4.22Å; L950-E954 WeakPolarHBondContact CD2-OE2 3.47Å; L950-E954 HydrophobicContact CG-CB 4.37Å; E951-E954 HydrophobicContact CB-CG 4.32Å; E951-E954 PolarHBondContact N-OE2 3.07Å; E951-E954 PolarHBondContact O-N 3Å; E951-E954 VanDerWaalsContact O-N 3.15Å; E954-Q956 VanDerWaalsContact C-N 3.33Å; E954-Q956 PolarHBondContact O-N 3Å; E954-H957 PolarHBondContact O-N 2.86Å; E954-L958 VanDerWaalsContact O-CB 3.24Å; E954-L958 WeakPolarHBondContact O-CB 3.46Å; E954-L958 PolarHBondContact O-N 3.06Å
955	S	62.5	Low	63.2	Low	28 Å²	28	82.3 Å²	82.3	20%	0.196	43%	0.426	C	S	.	.	H	α-helix	trans	-60	-41.1	174	-71.9	0	0	0	0	112.2	F947 E951 S959	F947-S955 PolarHBondContact O-OG 3.38Å; E951-S955 PolarHBondContact O-N 2.96Å; E951-S955 PolarHBondContact O-OG 3.15Å; S955-S959 WeakPolarHBondContact O-CB 3.49Å; S955-S959 PolarHBondContact O-N 3.32Å; S955-S959 PolarHBondContact O-OG 3.28Å
956	Q	66.8	Low	63.8	Low	116 Å²	116	81.9 Å²	81.9	54%	0.542	41%	0.411	S	S	.	.	H	α-helix	trans	-67.1	-45.5	175.2	-89.2	-170.5	1	0	0	112.2	S952 E953 E954 L958 S959 K960	S952-Q956 PolarHBondContact O-N 3.14Å; E953-Q956 PolarHBondContact O-N 2.8Å; E954-Q956 VanDerWaalsContact C-N 3.33Å; E954-Q956 PolarHBondContact O-N 3Å; Q956-L958 VanDerWaalsContact C-N 3.27Å; Q956-L958 PolarHBondContact O-N 3.03Å; Q956-S959 WeakPolarHBondContact CA-OG 3.29Å; Q956-S959 PolarHBondContact O-N 2.99Å; Q956-S959 PolarHBondContact O-OG 2.73Å; Q956-K960 WeakPolarHBondContact O-CG 3.35Å; Q956-K960 PolarHBondContact O-N 3.43Å
957	H	66.3	Low	64.5	Low	131 Å²	131	80.1 Å²	80.1	61%	0.606	40%	0.401	S	S	*	.	H	α-helix	trans	-58.3	-44.2	178.1	-176.1	71.2	0	0	0	111.1	E953 E954 K960 L961	E953-H957 PolarHBondContact O-N 3.21Å; E954-H957 PolarHBondContact O-N 2.86Å; H957-K960 WeakPolarHBondContact O-CB 3.39Å; H957-K960 PolarHBondContact O-N 3.29Å; H957-L961 PolarHBondContact O-N 2.84Å
958	L	60.1	Low	65.2	Low	12 Å²	12	85.8 Å²	85.8	6%	0.063	43%	0.425	C	S	.	.	H	α-helix	trans	-65.7	-44.4	177.5	-177.7	62.6	0	0	0	112.8	L910 F947 L950 E954 Q956 K960 L961 L962	L910-L958 HydrophobicContact CB-CD1 4.22Å; L910-L958 HydrophobicContact CD1-CD1 3.69Å; L910-L958 HydrophobicContact CD2-CD1 3.55Å; L910-L958 HydrophobicContact CD2-CD2 3.17Å; L910-L958 HydrophobicContact CD2-CG 3.96Å; L910-L958 HydrophobicContact CG-CD1 3.97Å; L910-L958 HydrophobicContact CG-CD2 4.39Å; F947-L958 HydrophobicContact CB-CD2 4.38Å; F947-L958 HydrophobicContact CD1-CD2 3.59Å; F947-L958 HydrophobicContact CD2-CD2 3.31Å; F947-L958 HydrophobicContact CD2-CG 4.12Å; F947-L958 HydrophobicContact CE1-CD2 3.52Å; F947-L958 HydrophobicContact CE1-CG 4.43Å; F947-L958 HydrophobicContact CE2-CB 4.44Å; F947-L958 HydrophobicContact CE2-CD2 3.24Å; F947-L958 HydrophobicContact CE2-CG 3.66Å; F947-L958 HydrophobicContact CG-CD2 3.47Å; F947-L958 VanDerWaalsContact CG-CD2 3.47Å; F947-L958 HydrophobicContact CZ-CD2 3.35Å; F947-L958 HydrophobicContact CZ-CG 3.83Å; L950-L958 HydrophobicContact CD1-CD2 3.53Å; E954-L958 VanDerWaalsContact O-CB 3.24Å; E954-L958 WeakPolarHBondContact O-CB 3.46Å; E954-L958 PolarHBondContact O-N 3.06Å; Q956-L958 VanDerWaalsContact C-N 3.27Å; Q956-L958 PolarHBondContact O-N 3.03Å; L958-K960 PolarHBondContact O-N 2.93Å; L958-L961 WeakPolarHBondContact O-CB 3.42Å; L958-L961 PolarHBondContact O-N 3.19Å; L958-L961 VanDerWaalsContact O-N 3.09Å; L958-L962 WeakPolarHBondContact O-CB 3.46Å; L958-L962 PolarHBondContact O-N 2.89Å
959	S	66.8	Low	65.7	Low	61 Å²	61	82.6 Å²	82.6	43%	0.427	40%	0.401	S	S	.	.	H	α-helix	trans	-58.6	-37.7	174.7	72	0	0	0	0	111.9	S955 Q956 E963	S955-S959 WeakPolarHBondContact O-CB 3.49Å; S955-S959 PolarHBondContact O-N 3.32Å; S955-S959 PolarHBondContact O-OG 3.28Å; Q956-S959 WeakPolarHBondContact CA-OG 3.29Å; Q956-S959 PolarHBondContact O-N 2.99Å; Q956-S959 PolarHBondContact O-OG 2.73Å; S959-E963 VanDerWaalsContact O-CB 3.29Å; S959-E963 WeakPolarHBondContact O-CB 3.4Å; S959-E963 PolarHBondContact O-N 3.09Å
960	K	70	Confident	66.2	Low	143 Å²	143	85.3 Å²	85.3	62%	0.622	41%	0.411	S	S	*	.	H	α-helix	trans	-67.6	-40.1	173.5	-74.5	177.4	179.9	173	0	112.3	Q956 H957 L958 K964	Q956-K960 WeakPolarHBondContact O-CG 3.35Å; Q956-K960 PolarHBondContact O-N 3.43Å; H957-K960 WeakPolarHBondContact O-CB 3.39Å; H957-K960 PolarHBondContact O-N 3.29Å; L958-K960 PolarHBondContact O-N 2.93Å; K960-K964 WeakPolarHBondContact O-CB 3.46Å; K960-K964 PolarHBondContact O-N 3.06Å
961	L	66.2	Low	66.5	Low	64 Å²	64	91.2 Å²	91.2	34%	0.335	44%	0.441	S	S	.	.	H	α-helix	trans	-64.1	-44.9	176.9	-165.4	78.9	0	0	0	110.7	H957 L958 K964 E965	H957-L961 PolarHBondContact O-N 2.84Å; L958-L961 WeakPolarHBondContact O-CB 3.42Å; L958-L961 PolarHBondContact O-N 3.19Å; L958-L961 VanDerWaalsContact O-N 3.09Å; L961-K964 WeakPolarHBondContact O-CB 3.24Å; L961-K964 PolarHBondContact O-N 3.39Å; L961-E965 PolarHBondContact O-N 3.39Å
962	L	67.1	Low	66.6	Low	14 Å²	14	84.7 Å²	84.7	7%	0.073	41%	0.411	C	S	.	.	H	α-helix	trans	-66.5	-39.3	179.3	-141.1	146	0	0	0	111.4	A914 L917 F947 L958 E965 R966	A914-L962 HydrophobicContact CB-CD1 4.18Å; A914-L962 HydrophobicContact CB-CG 4.25Å; L917-L962 HydrophobicContact CB-CD2 3.66Å; L917-L962 HydrophobicContact CD1-CD1 3.58Å; L917-L962 HydrophobicContact CD1-CD2 3.86Å; L917-L962 HydrophobicContact CD1-CG 4.38Å; L917-L962 HydrophobicContact CG-CD2 4.4Å; F947-L962 HydrophobicContact CZ-CD1 4.07Å; L958-L962 WeakPolarHBondContact O-CB 3.46Å; L958-L962 PolarHBondContact O-N 2.89Å; L962-E965 PolarHBondContact O-N 2.88Å; L962-R966 HydrophobicContact CD2-CG 4.47Å; L962-R966 WeakPolarHBondContact O-CB 3.35Å; L962-R966 WeakPolarHBondContact O-CG 3.07Å; L962-R966 PolarHBondContact O-N 2.88Å
963	E	70.6	Confident	66.8	Low	103 Å²	103	81.6 Å²	81.6	48%	0.481	39%	0.387	S	S	.	.	H	α-helix	trans	-65.3	-39.7	172.2	-168.3	60.9	-159.9	0	0	111.7	S959 E965 R966 V967	S959-E963 VanDerWaalsContact O-CB 3.29Å; S959-E963 WeakPolarHBondContact O-CB 3.4Å; S959-E963 PolarHBondContact O-N 3.09Å; E963-E965 VanDerWaalsContact C-N 3.34Å; E963-E965 PolarHBondContact O-N 2.92Å; E963-R966 PolarHBondContact O-N 3.26Å; E963-V967 WeakPolarHBondContact O-CB 3.3Å; E963-V967 VanDerWaalsContact O-CG2 3.23Å; E963-V967 WeakPolarHBondContact O-CG2 3.32Å; E963-V967 PolarHBondContact O-N 2.95Å
964	K	70.9	Confident	67	Low	128 Å²	128	78.3 Å²	78.3	56%	0.557	37%	0.374	S	S	*	.	H	α-helix	trans	-61.7	-41.8	174.3	-171.1	-178.9	-178.7	-177.9	0	111.5	K960 L961 V967 K968	K960-K964 WeakPolarHBondContact O-CB 3.46Å; K960-K964 PolarHBondContact O-N 3.06Å; L961-K964 WeakPolarHBondContact O-CB 3.24Å; L961-K964 PolarHBondContact O-N 3.39Å; K964-V967 PolarHBondContact O-N 2.91Å; K964-K968 WeakPolarHBondContact O-CG 3.27Å; K964-K968 PolarHBondContact O-N 2.92Å
965	E	66.5	Low	67.2	Low	19 Å²	19	74 Å²	74	9%	0.089	36%	0.356	C	S	.	.	H	α-helix	trans	-68	-41.8	174.9	-69.4	-50.3	133.5	0	0	112.2	I918 L961 L962 E963 V967 K968 M969	I918-E965 HydrophobicContact CD1-CB 4.05Å; L961-E965 PolarHBondContact O-N 3.39Å; L962-E965 PolarHBondContact O-N 2.88Å; E963-E965 VanDerWaalsContact C-N 3.34Å; E963-E965 PolarHBondContact O-N 2.92Å; E965-V967 VanDerWaalsContact C-N 3.29Å; E965-V967 PolarHBondContact O-N 3.27Å; E965-K968 PolarHBondContact O-N 3.03Å; E965-K968 IonicContact OE1-NZ 3.99Å; E965-K968 PolarHBondContact OE1-NZ 2.95Å; E965-K968 WeakPolarHBondContact OE2-CD 3.41Å; E965-K968 IonicContact OE2-NZ 2.72Å; E965-M969 PolarHBondContact O-N 3.46Å
966	R	69.1	Low	67.5	Low	91 Å²	91	72.7 Å²	72.7	34%	0.343	35%	0.347	S	S	.	.	H	α-helix	trans	-58	-40.9	171.7	-79.8	-179	166.6	-177	-3.1	112.5	L917 I918 L962 E963 M969 R970 I973	L917-R966 PolarHBondContact O-NE 2.93Å; L917-R966 PolarHBondContact O-NH2 3.28Å; I918-R966 HydrophobicContact CG1-CG 4.06Å; L962-R966 HydrophobicContact CD2-CG 4.47Å; L962-R966 WeakPolarHBondContact O-CB 3.35Å; L962-R966 WeakPolarHBondContact O-CG 3.07Å; L962-R966 PolarHBondContact O-N 2.88Å; E963-R966 PolarHBondContact O-N 3.26Å; R966-M969 CarbonylContact O-C 3.57Å; R966-M969 PolarHBondContact O-N 3.43Å; R966-R970 WeakPolarHBondContact O-CA 3.5Å; R966-R970 PolarHBondContact O-N 3.4Å; R966-I973 HydrophobicContact CB-CD1 3.88Å; R966-I973 HydrophobicContact CG-CD1 3.8Å
967	V	70.6	Confident	67.5	Low	71 Å²	71	69.8 Å²	69.8	43%	0.43	34%	0.337	S	S	.	.	H	α-helix	trans	-66.3	-42	177.5	169.8	0	0	0	0	111.2	E963 K964 E965 M969 R970	E963-V967 WeakPolarHBondContact O-CB 3.3Å; E963-V967 VanDerWaalsContact O-CG2 3.23Å; E963-V967 WeakPolarHBondContact O-CG2 3.32Å; E963-V967 PolarHBondContact O-N 2.95Å; K964-V967 PolarHBondContact O-N 2.91Å; E965-V967 VanDerWaalsContact C-N 3.29Å; E965-V967 PolarHBondContact O-N 3.27Å; V967-M969 VanDerWaalsContact C-N 3.29Å; V967-M969 PolarHBondContact O-N 3.19Å; V967-R970 VanDerWaalsContact O-CB 3.25Å; V967-R970 WeakPolarHBondContact O-CB 3.17Å; V967-R970 PolarHBondContact O-N 3.32Å
968	K	67.7	Low	67.5	Low	128 Å²	128	66.7 Å²	66.7	56%	0.557	33%	0.328	S	S	*	.	H	α-helix	trans	-60.8	-39.6	174.2	-73.5	173.7	179.9	175	0	111.9	K964 E965 R970	K964-K968 WeakPolarHBondContact O-CG 3.27Å; K964-K968 PolarHBondContact O-N 2.92Å; E965-K968 PolarHBondContact O-N 3.03Å; E965-K968 IonicContact OE1-NZ 3.99Å; E965-K968 PolarHBondContact OE1-NZ 2.95Å; E965-K968 WeakPolarHBondContact OE2-CD 3.41Å; E965-K968 IonicContact OE2-NZ 2.72Å; K968-R970 VanDerWaalsContact C-N 3.33Å
969	M	65.8	Low	67.5	Low	19 Å²	19	66.7 Å²	66.7	9%	0.094	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	15.5	-178.1	-61	178.3	-169.5	0	0	113.2	L828 I918 E965 R966 V967 L971 L972 I973	L828-M969 HydrophobicContact CB-CE 3.42Å; L828-M969 VanDerWaalsContact CB-CE 3.42Å; L828-M969 HydrophobicContact CB-SD 3.66Å; L828-M969 HydrophobicContact CD1-CE 3.84Å; L828-M969 HydrophobicContact CD1-SD 4.02Å; L828-M969 HydrophobicContact CG-CE 4.29Å; L828-M969 HydrophobicContact CG-SD 4.36Å; I918-M969 HydrophobicContact CD1-SD 4.12Å; I918-M969 HydrophobicContact CG2-CB 4.47Å; I918-M969 HydrophobicContact CG2-SD 3.77Å; E965-M969 PolarHBondContact O-N 3.46Å; R966-M969 CarbonylContact O-C 3.57Å; R966-M969 PolarHBondContact O-N 3.43Å; V967-M969 VanDerWaalsContact C-N 3.29Å; V967-M969 PolarHBondContact O-N 3.19Å; M969-L971 PolarHBondContact O-N 3.15Å; M969-L971 VanDerWaalsContact O-N 3.09Å; M969-L972 PolarHBondContact O-N 3.46Å; M969-I973 WeakPolarHBondContact O-CG1 3.47Å; M969-I973 PolarHBondContact O-N 2.8Å
970	R	69.1	Low	67.1	Low	145 Å²	145	69.4 Å²	69.4	55%	0.547	33%	0.333	S	S	.	.	H	α-helix	trans	-52.9	-37	-175.3	180	-175.9	-71.5	-171.8	-2.2	112.7	R966 V967 K968 I973 N974	R966-R970 WeakPolarHBondContact O-CA 3.5Å; R966-R970 PolarHBondContact O-N 3.4Å; V967-R970 VanDerWaalsContact O-CB 3.25Å; V967-R970 WeakPolarHBondContact O-CB 3.17Å; V967-R970 PolarHBondContact O-N 3.32Å; K968-R970 VanDerWaalsContact C-N 3.33Å; R970-I973 PolarHBondContact O-N 2.87Å; R970-N974 WeakPolarHBondContact CG-ND2 3.43Å; R970-N974 WeakPolarHBondContact O-CB 3.36Å; R970-N974 PolarHBondContact O-N 3Å
971	L	64.2	Low	65.9	Low	153 Å²	153	65.5 Å²	65.5	80%	0.801	32%	0.324	S	S	*	.	H	α-helix	trans	-64.7	-44.4	177.5	-75	167.4	0	0	0	112.2	M969 G975	M969-L971 PolarHBondContact O-N 3.15Å; M969-L971 VanDerWaalsContact O-N 3.09Å; L971-G975 WeakPolarHBondContact O-CA 3.44Å; L971-G975 PolarHBondContact O-N 2.87Å
972	L	67.1	Low	64.8	Low	2 Å²	2	67.4 Å²	67.4	1%	0.01	34%	0.341	C	S	.	.	H	α-helix	trans	-66.1	-44.3	174.4	169.6	136.8	0	0	0	110.9	L831 I918 L919 M969 G975 L976	L831-L972 VanDerWaalsContact C-CD1 3.4Å; L831-L972 HydrophobicContact CB-CD1 3.79Å; I918-L972 HydrophobicContact CG2-CD2 4.4Å; L919-L972 HydrophobicContact CD2-CD2 4.32Å; M969-L972 PolarHBondContact O-N 3.46Å; L972-G975 PolarHBondContact O-N 3.39Å; L972-L976 HydrophobicContact CD1-CD1 4.11Å; L972-L976 HydrophobicContact CD2-CD1 3.6Å; L972-L976 HydrophobicContact CG-CD1 3.59Å; L972-L976 HydrophobicContact CG-CG 4.16Å; L972-L976 WeakPolarHBondContact O-CB 3.44Å; L972-L976 VanDerWaalsContact O-CG 3.23Å; L972-L976 WeakPolarHBondContact O-CG 3.37Å; L972-L976 PolarHBondContact O-N 3.21Å
973	I	67.7	Low	63.3	Low	32 Å²	32	77.2 Å²	77.2	16%	0.164	38%	0.377	C	S	.	.	H	α-helix	trans	-65	-48.5	-179.7	-62.4	175.1	0	0	0	110.6	I918 R966 M969 R970 G975 T977	I918-I973 HydrophobicContact CG2-CD1 4.19Å; I918-I973 HydrophobicContact CG2-CG1 4.25Å; R966-I973 HydrophobicContact CB-CD1 3.88Å; R966-I973 HydrophobicContact CG-CD1 3.8Å; M969-I973 WeakPolarHBondContact O-CG1 3.47Å; M969-I973 PolarHBondContact O-N 2.8Å; R970-I973 PolarHBondContact O-N 2.87Å; I973-G975 VanDerWaalsContact C-N 3.3Å; I973-G975 PolarHBondContact O-N 3.19Å; I973-T977 HydrophobicContact CG2-CG2 4.32Å; I973-T977 VanDerWaalsContact O-CB 3.31Å; I973-T977 WeakPolarHBondContact O-CB 3.37Å; I973-T977 WeakPolarHBondContact O-CG2 3.43Å; I973-T977 PolarHBondContact O-N 3.3Å; I973-T977 PolarHBondContact O-OG1 2.92Å
974	N	69.9	Low	61.4	Low	87 Å²	87	82.8 Å²	82.8	47%	0.465	39%	0.393	S	S	.	.	H	α-helix	trans	-62.2	-41.8	176.6	-72.9	-5.4	0	0	0	110.7	R970 T977 T978	R970-N974 WeakPolarHBondContact CG-ND2 3.43Å; R970-N974 WeakPolarHBondContact O-CB 3.36Å; R970-N974 PolarHBondContact O-N 3Å; N974-T977 VanDerWaalsContact CA-OG1 3.24Å; N974-T977 WeakPolarHBondContact CA-OG1 3.46Å; N974-T977 PolarHBondContact O-N 2.73Å; N974-T977 PolarHBondContact O-OG1 3.46Å; N974-T978 WeakPolarHBondContact O-CG2 3.38Å; N974-T978 PolarHBondContact O-N 3.31Å
975	G	66.7	Low	59.5	Low	8 Å²	8	86.3 Å²	86.3	8%	0.082	41%	0.412	C	S	.	.	H	α-helix	trans	-60.5	-56.4	176.6	0	0	0	0	0	112.7	Y835 L971 L972 I973 T977 T978 L979	Y835-G975 VanDerWaalsContact CE1-CA 3.41Å; Y835-G975 WeakPolarHBondContact OH-CA 3.49Å; Y835-G975 PolarHBondContact OH-O 3.44Å; L971-G975 WeakPolarHBondContact O-CA 3.44Å; L971-G975 PolarHBondContact O-N 2.87Å; L972-G975 PolarHBondContact O-N 3.39Å; I973-G975 VanDerWaalsContact C-N 3.3Å; I973-G975 PolarHBondContact O-N 3.19Å; G975-T977 VanDerWaalsContact C-N 3.31Å; G975-T977 PolarHBondContact O-N 3.18Å; G975-T978 WeakPolarHBondContact O-CB 3.27Å; G975-T978 PolarHBondContact O-N 3.15Å; G975-T978 PolarHBondContact O-OG1 3.42Å; G975-L979 PolarHBondContact O-N 3.31Å
976	L	68.2	Low	57.6	Low	0 Å²	0	89.4 Å²	89.4	0%	0	44%	0.436	C	S	.	.	H	α-helix	trans	-61.6	-39.3	176.9	-63.3	171.2	0	0	0	110.8	Y835 F877 L919 P920 Y922 L923 L972 T978 L979	Y835-L976 HydrophobicContact CD2-CD2 3.81Å; Y835-L976 HydrophobicContact CD2-CG 4.45Å; Y835-L976 HydrophobicContact CE2-CD2 4.19Å; F877-L976 HydrophobicContact CD1-CD2 4.21Å; F877-L976 HydrophobicContact CD2-CD2 4.3Å; F877-L976 HydrophobicContact CE1-CD2 4.17Å; F877-L976 HydrophobicContact CE2-CD2 4.24Å; F877-L976 HydrophobicContact CG-CD2 4.29Å; F877-L976 HydrophobicContact CZ-CD2 4.2Å; L919-L976 HydrophobicContact CD2-CD1 4.18Å; P920-L976 HydrophobicContact CG-CB 3.68Å; P920-L976 HydrophobicContact CG-CD1 4.36Å; Y922-L976 VanDerWaalsContact OH-C 3.27Å; Y922-L976 PolarHBondContact OH-O 3.38Å; L923-L976 HydrophobicContact CD1-CB 4.49Å; L923-L976 HydrophobicContact CD1-CD1 3.85Å; L923-L976 HydrophobicContact CD1-CD2 4Å; L923-L976 HydrophobicContact CD1-CG 4.34Å; L972-L976 HydrophobicContact CD1-CD1 4.11Å; L972-L976 HydrophobicContact CD2-CD1 3.6Å; L972-L976 HydrophobicContact CG-CD1 3.59Å; L972-L976 HydrophobicContact CG-CG 4.16Å; L972-L976 WeakPolarHBondContact O-CB 3.44Å; L972-L976 VanDerWaalsContact O-CG 3.23Å; L972-L976 WeakPolarHBondContact O-CG 3.37Å; L972-L976 PolarHBondContact O-N 3.21Å; L976-T978 VanDerWaalsContact C-N 3.27Å; L976-T978 PolarHBondContact O-N 2.93Å; L976-L979 HydrophobicContact CD2-CD1 3.87Å; L976-L979 VanDerWaalsContact O-CB 3.29Å; L976-L979 WeakPolarHBondContact O-CB 3.47Å; L976-L979 PolarHBondContact O-N 2.82Å; L976-L979 VanDerWaalsContact O-N 3.09Å
977	T	67	Low	55.6	Low	55 Å²	55	93.7 Å²	93.7	34%	0.337	46%	0.462	S	S	.	.	H	α-helix	trans	-65.7	-28.9	175.5	52.4	0	0	0	0	113	P920 I973 N974 G975 L979 Q980	P920-T977 HydrophobicContact CG-CG2 4.41Å; I973-T977 HydrophobicContact CG2-CG2 4.32Å; I973-T977 VanDerWaalsContact O-CB 3.31Å; I973-T977 WeakPolarHBondContact O-CB 3.37Å; I973-T977 WeakPolarHBondContact O-CG2 3.43Å; I973-T977 PolarHBondContact O-N 3.3Å; I973-T977 PolarHBondContact O-OG1 2.92Å; N974-T977 VanDerWaalsContact CA-OG1 3.24Å; N974-T977 WeakPolarHBondContact CA-OG1 3.46Å; N974-T977 PolarHBondContact O-N 2.73Å; N974-T977 PolarHBondContact O-OG1 3.46Å; G975-T977 VanDerWaalsContact C-N 3.31Å; G975-T977 PolarHBondContact O-N 3.18Å; T977-L979 VanDerWaalsContact C-N 3.28Å; T977-L979 PolarHBondContact O-N 3.48Å; T977-Q980 VanDerWaalsContact O-CB 3.32Å; T977-Q980 WeakPolarHBondContact O-CB 3.24Å; T977-Q980 PolarHBondContact O-N 3.29Å; T977-Q980 VanDerWaalsContact O-N 3.14Å
978	T	65.3	Low	53.7	Low	66 Å²	66	96.6 Å²	96.6	41%	0.405	48%	0.479	S	S	.	.	H	α-helix	trans	-65.1	-31.9	171.9	68.6	0	0	0	0	112.7	N974 G975 L976 Q980 S981	N974-T978 WeakPolarHBondContact O-CG2 3.38Å; N974-T978 PolarHBondContact O-N 3.31Å; G975-T978 WeakPolarHBondContact O-CB 3.27Å; G975-T978 PolarHBondContact O-N 3.15Å; G975-T978 PolarHBondContact O-OG1 3.42Å; L976-T978 VanDerWaalsContact C-N 3.27Å; L976-T978 PolarHBondContact O-N 2.93Å; T978-Q980 PolarHBondContact O-N 2.93Å; T978-S981 PolarHBondContact O-N 3.38Å; T978-S981 VanDerWaalsContact O-N 3.11Å; T978-S981 PolarHBondContact O-OG 3.2Å
979	L	60.9	Low	51.8	Low	11 Å²	11	97.8 Å²	97.8	6%	0.058	50%	0.497	C	S	.	.	H	α-helix	trans	-62.4	-26.9	173.9	-58.6	176.1	0	0	0	112.4	Y835 I847 I873 G975 L976 T977 S981	Y835-L979 HydrophobicContact CE2-CD1 3.96Å; Y835-L979 HydrophobicContact CE2-CD2 4.35Å; Y835-L979 HydrophobicContact CE2-CG 4.15Å; I847-L979 HydrophobicContact CB-CD2 4.27Å; I847-L979 HydrophobicContact CD1-CD2 4.1Å; I847-L979 HydrophobicContact CG1-CD2 3.72Å; I847-L979 HydrophobicContact CG2-CD2 3.9Å; I873-L979 HydrophobicContact CB-CD2 4.36Å; I873-L979 HydrophobicContact CG2-CD1 4.06Å; I873-L979 HydrophobicContact CG2-CD2 4.21Å; G975-L979 PolarHBondContact O-N 3.31Å; L976-L979 HydrophobicContact CD2-CD1 3.87Å; L976-L979 VanDerWaalsContact O-CB 3.29Å; L976-L979 WeakPolarHBondContact O-CB 3.47Å; L976-L979 PolarHBondContact O-N 2.82Å; L976-L979 VanDerWaalsContact O-N 3.09Å; T977-L979 VanDerWaalsContact C-N 3.28Å; T977-L979 PolarHBondContact O-N 3.48Å; L979-S981 VanDerWaalsContact C-N 3.33Å
980	Q	57.8	Low	50.1	Low	118 Å²	118	103.2 Å²	103.2	55%	0.551	56%	0.558	S	S	*	*	H	α-helix	trans	-73.5	-28.1	178	-164.9	-178.8	1.3	0	0	112	Y922 T977 T978 P982	Y922-Q980 HydrophobicContact CD1-CB 4.2Å; Y922-Q980 HydrophobicContact CD1-CG 4.01Å; Y922-Q980 HydrophobicContact CE1-CB 3.78Å; Y922-Q980 HydrophobicContact CE1-CG 4.13Å; T977-Q980 VanDerWaalsContact O-CB 3.32Å; T977-Q980 WeakPolarHBondContact O-CB 3.24Å; T977-Q980 PolarHBondContact O-N 3.29Å; T977-Q980 VanDerWaalsContact O-N 3.14Å; T978-Q980 PolarHBondContact O-N 2.93Å; Q980-P982 WeakPolarHBondContact O-CD 3.33Å; Q980-P982 VanDerWaalsContact O-N 3.12Å
981	S	46.1	Very low	49.1	Very low	62 Å²	62	101.1 Å²	101.1	43%	0.434	56%	0.559	S	S	.	*			trans	-67.8	112.6	-162.5	64.7	0	0	0	0	111.7	T978 L979 R983	T978-S981 PolarHBondContact O-N 3.38Å; T978-S981 VanDerWaalsContact O-N 3.11Å; T978-S981 PolarHBondContact O-OG 3.2Å; L979-S981 VanDerWaalsContact C-N 3.33Å; S981-R983 PolarHBondContact O-N 2.59Å
982	P	41.9	Very low	48.3	Very low	104 Å²	104	98.4 Å²	98.4	68%	0.675	55%	0.546	S	S	*	.			trans	-75.4	87.5	162.7	31.1	-23.4	0	0	0	104.2	Q980 R984	Q980-P982 WeakPolarHBondContact O-CD 3.33Å; Q980-P982 VanDerWaalsContact O-N 3.12Å; P982-R984 VanDerWaalsContact C-N 3.28Å; P982-R984 PolarHBondContact O-N 3.22Å
983	R	36.4	Very low	47.3	Very low	219 Å²	219	103.7 Å²	103.7	83%	0.826	58%	0.576	S	S	*	*			trans	-59.9	100.2	175.6	-99.5	-173.4	175.6	176.8	-0.1	107.5	S981 E985	S981-R983 PolarHBondContact O-N 2.59Å; R983-E985 PolarHBondContact O-N 3.11Å; R983-E985 VanDerWaalsContact O-N 3.11Å
984	R	29.7	Very low	46.1	Very low	220 Å²	220	107.9 Å²	107.9	83%	0.83	60%	0.6	S	S	*	*			trans	-50.4	113.5	160.4	-75.9	176.2	172.6	173.6	-3	105.9	P982 S986	P982-R984 VanDerWaalsContact C-N 3.28Å; P982-R984 PolarHBondContact O-N 3.22Å; R984-S986 PolarHBondContact O-N 2.79Å
985	E	32	Very low	44.6	Very low	202 Å²	202	109.3 Å²	109.3	94%	0.944	61%	0.608	S	S	*	*			trans	-60.9	88.7	160	-73.6	-179.5	159.5	0	0	108	R983	R983-E985 PolarHBondContact O-N 3.11Å; R983-E985 VanDerWaalsContact O-N 3.11Å
986	S	27	Very low	43.2	Very low	85 Å²	85	116 Å²	116	59%	0.594	64%	0.643	S	S	*	*			trans	-143.1	124.2	156.9	62.4	0	0	0	0	104.4	R984	R984-S986 PolarHBondContact O-N 2.79Å
987	M	26.9	Very low	41.4	Very low	180 Å²	180	124.3 Å²	124.3	89%	0.887	69%	0.689	S	S	*	*	S	Bend	trans	93.8	70.5	-176.3	-51.8	-178.3	119.7	0	0	115.2
988	V	30.1	Very low	39.4	Very low	133 Å²	133	129.6 Å²	129.6	81%	0.806	72%	0.716	S	S	*	*				-152.2	81.4	111.6	-173.7	0	0	0	0	107.4	G990	V988-G990 WeakPolarHBondContact CG1-O 3.26Å
989	T	29	Very low	37.2	Very low	152 Å²	152	134.9 Å²	134.9	93%	0.933	74%	0.742	S	S	*	*			trans	-84.7	100.5	143.8	47.4	0	0	0	0	104.8
990	G	29	Very low	35.1	Very low	133 Å²	133	146.2 Å²	146.2	100%	1.371	81%	0.805	S	S	*	*			trans	176.9	0	-176	0	0	0	0	0	110.7	V988	V988-G990 WeakPolarHBondContact CG1-O 3.26Å

Retrieved 990 of 990 residues in 1842.6 ms (Link to these results)

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