A0A087XG01_POEFO Loading...

Structural maintenance of chromosomes protein

Central component of cohesin, a complex required for chromosome cohesion during the cell cycle. The cohesin complex may form a large proteinaceous ring within which sister chromatids can be trapped. At anaphase, the complex is cleaved and dissociates from chromatin, allowing sister chromatids to segregate. Cohesion is coupled to DNA replication and is involved in DNA repair. The cohesin complex also plays an important role in spindle pole assembly during mitosis and in chromosomes movement.

AlphaFold DB , UniProt , Accession A0A087XG01, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,225 aa.

						>A0A087XG01_POEFO|A0A087XG01
MYIKQVIIQGFRSYRDQTVVDPFSPKHNVIVGRNGSGKSNFFYAIQFVLSDEFSHLRPEQRLALLHEGTGPRVISAFVEIIFDNSDNRLPIDKEEVSLRRVIGAKKDQYFLDKKMVTKNDVMNLLESAGFSRSNPYYIVKQGKINQMATAPDSQRLKLLREVAGTRVYDERKEESISLMKETEEGKREKINELLKYIEERLHTLEDEKEELAQYQKWDKMRRALEYTIYNQELNETRAKLDELSSKRETCGDKSRQLRDAQQDARDKVEETERVVRELKSKVSAMKEEKEQLSAERQEQIKQRTKLELKAKDLQDELAGNSEQRKRLLKERQKLLEKIEEKQKELQETEPKFNMVKEKEERGISSHSRLAQATQERTDLYAKQGRGSQFTSKEERDKWIKKELKSLDQAINDKKRQIAAIHKDLEDTEMNKEKNLEQYNKLDQDLNEVKTRVEELDKKYYEVKNKKDELQSERNYLWREENAEQQALAAKREDLEKKQQLLRAATGKAILNGIDSINKVLEHFRRKGINQHVINGYHGIVMNNFECEPAFYTCVEVTAGTRLFYHIVETDEVSTKILMEFNKMNLPGEVTFLPLSKLDVRDTAYPETNDAIPMISKLRYSPNFDKAFKHVFGKTLICRSMEVSTQLARAFTMDCITLEEIGDQVSHRGALTGGYYDTRKSRLELQKDMRKAEEELAELEAKLNENLRRNIEHILNNEIDQLMNQMQQIETQQRKFKASRDSILSEMKMLKEKRQQSEKTFMPKQRSLQSLEASLHAMESTRESLKAELGTDLLSQLSLEDQRRVDDLNDEIRQLQQDNRQLLNERIKLEGIMTRVETYLNENLRKRLDQVEQELNELRETEGGTVLTATTSELDGINKRVKETLARSDDLDGLVDKTEAEIKEHIKSMERWKNIEKEQNDAINHDTKELEKMTNRQGMLLKKKEECMKKIRELGSLPQEAFEKYQTLTLKQLFRKLEQCNTELKKYSHVNKKALDQFVNFSEQKEKLIKRQDELDRGYKSIMELMNVLELRKYEAIQLTFKQVSKNFSEVFQKLVPGGKATLVMKKGDAEGSQSQDEGEGGADSERGSGSQSSVPSVDQFTGVGIRVSFTGKQGEMREMQQLSGGQKSLVALALIFAIQKCDPAPFYLFDEIDQALDAQHRKAVSADMIVELAGHAQFITTTFRPELLESADKFYGVKFRNKVSHIDVITAEQAKDFVEDDTTHG
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	84.3	Confident	90.8	Very high	24 Å²	24	23.8 Å²	23.8	12%	0.118	11%	0.108	C	C	.	.				0	138	0	-179.4	-178.2	64	0	0	109.9	F82 D83 D86 R88 L89 A128 F130 P1145	M1-F82 HydrophobicContact CG-CB 4.38Å; M1-D83 CarbonylContact C-O 3.58Å; M1-D83 WeakPolarHBondContact CA-O 3.17Å; M1-D83 WeakPolarHBondContact CG-O 3.33Å; M1-D86 VanDerWaalsContact CB-OD1 3.29Å; M1-D86 WeakPolarHBondContact CB-OD1 3.39Å; M1-D86 PolarHBondContact N-OD1 3.24Å; M1-D86 PolarHBondContact N-OD2 3.44Å; M1-R88 HydrophobicContact CB-CB 4.35Å; M1-L89 HydrophobicContact SD-CD1 3.42Å; M1-L89 WeakPolarHBondContact SD-CD1 3.14Å; M1-L89 HydrophobicContact SD-CG 3.86Å; M1-A128 HydrophobicContact CE-CB 4.44Å; M1-F130 HydrophobicContact CE-CE2 3.49Å; M1-F130 VanDerWaalsContact CE-CE2 3.49Å; M1-F130 HydrophobicContact CE-CZ 3.45Å; M1-F130 VanDerWaalsContact CE-CZ 3.45Å; M1-F130 HydrophobicContact SD-CE2 4.49Å; M1-P1145 HydrophobicContact CB-CB 4.5Å; M1-P1145 HydrophobicContact CE-CB 3.65Å; M1-P1145 HydrophobicContact CE-CG 3.27Å; M1-P1145 WeakPolarHBondContact O-CB 3.39Å
2	Y	89.1	Confident	90.7	Very high	55 Å²	55	28.4 Å²	28.4	22%	0.216	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	166.4	172.2	69.9	-86	0	0	0	111.6	K4 P25 F82 D83	Y2-K4 HydrophobicContact CE2-CB 4.4Å; Y2-K4 PolarHBondContact O-N 3.07Å; Y2-P25 HydrophobicContact CD1-CB 4.16Å; Y2-P25 HydrophobicContact CD2-CB 4.25Å; Y2-P25 HydrophobicContact CE1-CB 4.16Å; Y2-P25 HydrophobicContact CE2-CB 4.24Å; Y2-P25 HydrophobicContact CG-CB 4.22Å; Y2-F82 WeakPolarHBondContact O-CA 3.26Å; Y2-D83 HydrophobicContact CD1-CB 3.91Å; Y2-D83 HydrophobicContact CE1-CB 3.58Å; Y2-D83 PolarHBondContact N-O 3.34Å; Y2-D83 VanDerWaalsContact N-O 3.14Å; Y2-D83 PolarHBondContact O-N 3.04Å
3	I	91.4	Very high	90.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	112.6	175.8	-63.7	174.8	0	0	0	108.4	V6 F23 I45 I80 F82 F1146 Q1177 I1179	I3-V6 HydrophobicContact CG2-CG2 3.83Å; I3-F23 HydrophobicContact CG2-CD2 4.12Å; I3-F23 HydrophobicContact CG2-CE2 4.42Å; I3-I45 HydrophobicContact CD1-CG2 4.19Å; I3-I80 HydrophobicContact CG1-CG2 4.23Å; I3-I80 HydrophobicContact CG2-CG2 3.95Å; I3-F82 HydrophobicContact CD1-CE1 4.45Å; I3-F82 HydrophobicContact CG1-CD1 4.04Å; I3-F82 HydrophobicContact CG1-CE1 3.72Å; I3-F1146 HydrophobicContact CD1-CD1 3.96Å; I3-F1146 HydrophobicContact CD1-CD2 3.77Å; I3-F1146 HydrophobicContact CD1-CE1 3.9Å; I3-F1146 HydrophobicContact CD1-CE2 3.74Å; I3-F1146 HydrophobicContact CD1-CG 3.91Å; I3-F1146 HydrophobicContact CD1-CZ 3.82Å; I3-F1146 HydrophobicContact CG1-CD1 3.77Å; I3-F1146 HydrophobicContact CG1-CD2 4.47Å; I3-F1146 HydrophobicContact CG1-CE1 3.85Å; I3-F1146 HydrophobicContact CG1-CG 4.11Å; I3-F1146 HydrophobicContact CG1-CZ 4.29Å; I3-Q1177 PolarHBondContact O-NE2 3.44Å; I3-Q1177 PolarHBondContact O-OE1 3.39Å; I3-I1179 HydrophobicContact CD1-CD1 4.44Å
4	K	91.3	Very high	90.4	Very high	50 Å²	50	25.4 Å²	25.4	22%	0.217	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-48.6	178.4	-170.3	169.2	-172.4	164.8	0	111.2	Y2 P22 F23 I81 D83 E95	Y2-K4 HydrophobicContact CE2-CB 4.4Å; Y2-K4 PolarHBondContact O-N 3.07Å; K4-P22 CarbonylContact O-C 3.47Å; K4-P22 WeakPolarHBondContact O-CA 3.46Å; K4-F23 PolarHBondContact O-N 2.8Å; K4-I81 WeakPolarHBondContact CB-O 3.5Å; K4-I81 PolarHBondContact N-O 3.39Å; K4-D83 HydrophobicContact CB-CB 4.49Å; K4-E95 WeakPolarHBondContact CE-OE1 3.27Å; K4-E95 IonicContact NZ-OE1 2.6Å; K4-E95 PolarHBondContact NZ-OE1 3.49Å
5	Q	91.4	Very high	90.1	Very high	41 Å²	41	28.7 Å²	28.7	19%	0.192	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	158.7	-178.2	58.6	-177.3	-12.5	0	0	111.7	I81	Q5-I81 HydrophobicContact CG-CB 3.68Å; Q5-I81 HydrophobicContact CG-CD1 3.79Å; Q5-I81 HydrophobicContact CG-CG1 4.15Å; Q5-I81 HydrophobicContact CG-CG2 4.3Å; Q5-I81 PolarHBondContact N-O 3.39Å; Q5-I81 PolarHBondContact O-N 2.97Å
6	V	92.9	Very high	89.7	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	133.6	178.1	-176.6	0	0	0	0	108.9	I3 I8 V20 F23 F41 I45 V78 E79 I80	I3-V6 HydrophobicContact CG2-CG2 3.83Å; V6-I8 HydrophobicContact CG1-CD1 4.18Å; V6-I8 HydrophobicContact CG1-CG1 3.88Å; V6-V20 PolarHBondContact O-N 3.34Å; V6-F23 HydrophobicContact CG2-CE2 4.11Å; V6-F41 HydrophobicContact CB-CE2 4.49Å; V6-F41 HydrophobicContact CB-CZ 4.25Å; V6-F41 HydrophobicContact CG1-CE2 4.49Å; V6-F41 HydrophobicContact CG2-CZ 4.47Å; V6-I45 HydrophobicContact CG1-CG1 4.3Å; V6-I45 HydrophobicContact CG2-CD1 4.1Å; V6-I45 HydrophobicContact CG2-CG1 4.06Å; V6-V78 HydrophobicContact CG1-CG1 4.2Å; V6-E79 WeakPolarHBondContact CA-O 3.39Å; V6-I80 HydrophobicContact CG1-CG1 4.4Å; V6-I80 HydrophobicContact CG2-CG1 4.38Å; V6-I80 HydrophobicContact CG2-CG2 4.46Å
7	I	92.9	Very high	89.5	Confident	18 Å²	18	36.1 Å²	36.1	9%	0.092	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	124.7	178.4	-55.4	175.5	0	0	0	108	Q17 V19 F77 V78 E79 I81	I7-Q17 HydrophobicContact CG2-CG 3.93Å; I7-V19 HydrophobicContact CG1-CG1 4.41Å; I7-V19 HydrophobicContact CG1-CG2 4.34Å; I7-V19 HydrophobicContact CG2-CG2 4.29Å; I7-F77 HydrophobicContact CG2-CE2 4.23Å; I7-V78 WeakPolarHBondContact O-CA 3.35Å; I7-E79 HydrophobicContact CB-CB 4.28Å; I7-E79 PolarHBondContact N-O 3.12Å; I7-E79 PolarHBondContact O-N 3.25Å; I7-I81 HydrophobicContact CD1-CD1 4.22Å
8	I	93.6	Very high	89.1	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	132.1	-175.8	-54	173.4	0	0	0	108.9	V6 F11 Y14 T18 F41 A44 V78	V6-I8 HydrophobicContact CG1-CD1 4.18Å; V6-I8 HydrophobicContact CG1-CG1 3.88Å; I8-F11 HydrophobicContact CG2-CB 3.65Å; I8-F11 HydrophobicContact CG2-CD1 4.5Å; I8-F11 HydrophobicContact CG2-CG 4.44Å; I8-Y14 HydrophobicContact CD1-CD2 4.49Å; I8-Y14 HydrophobicContact CG2-CD2 4.21Å; I8-Y14 HydrophobicContact CG2-CG 4.07Å; I8-T18 PolarHBondContact N-O 3.4Å; I8-T18 PolarHBondContact O-N 2.94Å; I8-F41 HydrophobicContact CD1-CD2 3.49Å; I8-F41 VanDerWaalsContact CD1-CD2 3.49Å; I8-F41 HydrophobicContact CD1-CE2 3.61Å; I8-A44 HydrophobicContact CD1-CB 3.65Å; I8-A44 HydrophobicContact CG1-CB 4.16Å; I8-V78 HydrophobicContact CG1-CG1 4.28Å; I8-V78 HydrophobicContact CG2-CG2 4.41Å
9	Q	92.1	Very high	88.9	Confident	72 Å²	72	36.8 Å²	36.8	34%	0.336	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	132.1	172.8	-173	174.8	3.5	0	0	111.2	F11 Q17 A76 F77	Q9-F11 PolarHBondContact O-N 2.77Å; Q9-Q17 HydrophobicContact CB-CB 4.46Å; Q9-Q17 HydrophobicContact CG-CB 4.37Å; Q9-A76 VanDerWaalsContact O-CA 3.26Å; Q9-A76 WeakPolarHBondContact O-CA 3.48Å; Q9-A76 WeakPolarHBondContact O-CB 3.18Å; Q9-F77 HydrophobicContact CB-CD1 4.22Å; Q9-F77 HydrophobicContact CB-CE1 3.85Å; Q9-F77 HydrophobicContact CB-CZ 4.01Å; Q9-F77 HydrophobicContact CG-CE1 4.37Å; Q9-F77 PolarHBondContact N-O 3.25Å; Q9-F77 PolarHBondContact O-N 2.84Å
10	G	89.4	Confident	88.7	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.01	17%	0.165	C	C	.	.	S	Bend	trans	69.7	9.9	174.3	0	0	0	0	0	115.8	Y14 R15 H66 A76	G10-Y14 CarbonylContact C-O 3.55Å; G10-Y14 VanDerWaalsContact C-O 3.32Å; G10-Y14 VanDerWaalsContact CA-O 3.24Å; G10-Y14 WeakPolarHBondContact CA-O 3.4Å; G10-Y14 PolarHBondContact N-O 3.11Å; G10-R15 PolarHBondContact N-O 3.02Å; G10-R15 VanDerWaalsContact N-O 3.13Å; G10-H66 PolarHBondContact O-N 3.09Å; G10-A76 VanDerWaalsContact C-CB 3.45Å; G10-A76 VanDerWaalsContact O-CB 3.27Å; G10-A76 WeakPolarHBondContact O-CB 3.39Å
11	F	90.4	Very high	88.5	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-98	116.9	-173	-174.6	-98.3	0	0	0	111.4	I8 Q9 S13 Y14 A44 F47 L64 A76 V78	I8-F11 HydrophobicContact CG2-CB 3.65Å; I8-F11 HydrophobicContact CG2-CD1 4.5Å; I8-F11 HydrophobicContact CG2-CG 4.44Å; Q9-F11 PolarHBondContact O-N 2.77Å; F11-S13 PolarHBondContact O-N 3.15Å; F11-Y14 PolarHBondContact N-O 3.32Å; F11-Y14 PolarHBondContact O-N 3.32Å; F11-A44 HydrophobicContact CD1-CB 3.79Å; F11-A44 HydrophobicContact CE1-CB 3.69Å; F11-A44 HydrophobicContact CZ-CB 4.43Å; F11-F47 HydrophobicContact CE2-CB 4.29Å; F11-F47 HydrophobicContact CE2-CD1 4.21Å; F11-F47 HydrophobicContact CE2-CG 4.07Å; F11-F47 HydrophobicContact CZ-CB 4.21Å; F11-F47 HydrophobicContact CZ-CG 4.47Å; F11-L64 HydrophobicContact CE2-CB 4.28Å; F11-L64 HydrophobicContact CE2-CD2 4.13Å; F11-L64 HydrophobicContact CZ-CD2 4.23Å; F11-A76 HydrophobicContact CB-CB 4.4Å; F11-V78 HydrophobicContact CB-CG2 4.38Å; F11-V78 HydrophobicContact CD2-CG2 4.19Å; F11-V78 HydrophobicContact CG-CG2 4.19Å
12	R	89.4	Confident	88.7	Confident	79 Å²	79	39.4 Å²	39.4	30%	0.298	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.5	-101.6	-179.6	-68	-169.5	168.7	-159	-2	114	N40 Y43 L64 H66	R12-N40 HydrophobicContact CB-CB 4.47Å; R12-N40 WeakPolarHBondContact CD-OD1 3.49Å; R12-N40 PolarHBondContact NH1-OD1 3.23Å; R12-N40 VanDerWaalsContact NH1-OD1 3.08Å; R12-Y43 VanDerWaalsContact NH1-CD2 3.33Å; R12-L64 HydrophobicContact CG-CD2 4.5Å; R12-L64 PolarHBondContact N-O 2.95Å; R12-H66 WeakPolarHBondContact O-CA 3.09Å; R12-H66 VanDerWaalsContact O-CB 3.26Å; R12-H66 WeakPolarHBondContact O-CB 3.4Å; R12-H66 PolarHBondContact O-ND1 3.36Å
13	S	88.3	Confident	88.8	Confident	14 Å²	14	37 Å²	37	10%	0.098	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-6.9	-178.7	58.1	0	0	0	0	113.8	F11 N40 V1203 S1204	F11-S13 PolarHBondContact O-N 3.15Å; S13-N40 PolarHBondContact OG-ND2 2.98Å; S13-V1203 WeakPolarHBondContact O-CA 3.29Å; S13-S1204 VanDerWaalsContact CB-OG 3.23Å; S13-S1204 WeakPolarHBondContact CB-OG 3.41Å; S13-S1204 PolarHBondContact O-N 3.43Å; S13-S1204 PolarHBondContact OG-OG 3.41Å
14	Y	89.6	Confident	88.8	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-96.4	97.2	177.9	-62.9	-82.3	0	0	0	110.2	I8 G10 F11 T18 G37 N40 F41 S1204 I1206	I8-Y14 HydrophobicContact CD1-CD2 4.49Å; I8-Y14 HydrophobicContact CG2-CD2 4.21Å; I8-Y14 HydrophobicContact CG2-CG 4.07Å; G10-Y14 CarbonylContact C-O 3.55Å; G10-Y14 VanDerWaalsContact C-O 3.32Å; G10-Y14 VanDerWaalsContact CA-O 3.24Å; G10-Y14 WeakPolarHBondContact CA-O 3.4Å; G10-Y14 PolarHBondContact N-O 3.11Å; F11-Y14 PolarHBondContact N-O 3.32Å; F11-Y14 PolarHBondContact O-N 3.32Å; Y14-T18 HydrophobicContact CD1-CG2 4.3Å; Y14-G37 PolarHBondContact OH-O 3.43Å; Y14-N40 HydrophobicContact CE2-CB 4.17Å; Y14-F41 HydrophobicContact CE2-CB 4.4Å; Y14-S1204 VanDerWaalsContact CD1-O 3.26Å; Y14-S1204 WeakPolarHBondContact CD1-O 3.48Å; Y14-I1206 HydrophobicContact CE1-CG2 4.36Å
15	R	85.2	Confident	88.6	Confident	75 Å²	75	38.7 Å²	38.7	28%	0.283	20%	0.2	S	C	.	.			trans	-79.3	-58.3	-179.3	-172.1	-174.7	70.1	-168.8	-7.1	111.7	G10 T69 V1203	G10-R15 PolarHBondContact N-O 3.02Å; G10-R15 VanDerWaalsContact N-O 3.13Å; R15-T69 PolarHBondContact NH1-O 3.11Å; R15-T69 VanDerWaalsContact NH1-O 3.14Å; R15-V1203 HydrophobicContact CB-CG1 3.98Å; R15-V1203 HydrophobicContact CB-CG2 3.87Å
16	D	83.6	Confident	88.4	Confident	70 Å²	70	41.9 Å²	41.9	37%	0.374	21%	0.213	S	C	.	.	S	Bend	trans	-84.1	158.9	-173.6	-55.1	-30.3	0	0	0	109.7	T18	D16-T18 PolarHBondContact O-N 3.48Å; D16-T18 PolarHBondContact O-OG1 3.09Å
17	Q	85.8	Confident	88.3	Confident	114 Å²	114	41.9 Å²	41.9	53%	0.533	21%	0.213	S	C	.	.			trans	-63.3	104.9	-179.6	-175.6	179	-5.8	0	0	109.3	I7 Q9 V19	I7-Q17 HydrophobicContact CG2-CG 3.93Å; Q9-Q17 HydrophobicContact CB-CB 4.46Å; Q9-Q17 HydrophobicContact CG-CB 4.37Å; Q17-V19 HydrophobicContact CG-CG2 4.37Å
18	T	83.9	Confident	88.2	Confident	14 Å²	14	41 Å²	41	9%	0.086	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	111.9	-178.7	-50.7	0	0	0	0	107.6	I8 Y14 D16 I1206	I8-T18 PolarHBondContact N-O 3.4Å; I8-T18 PolarHBondContact O-N 2.94Å; Y14-T18 HydrophobicContact CD1-CG2 4.3Å; D16-T18 PolarHBondContact O-N 3.48Å; D16-T18 PolarHBondContact O-OG1 3.09Å; T18-I1206 HydrophobicContact CG2-CG2 3.61Å
19	V	85.3	Confident	88	Confident	72 Å²	72	41 Å²	41	44%	0.436	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	118.3	175.6	-179.1	0	0	0	0	107.2	I7 Q17	I7-V19 HydrophobicContact CG1-CG1 4.41Å; I7-V19 HydrophobicContact CG1-CG2 4.34Å; I7-V19 HydrophobicContact CG2-CG2 4.29Å; Q17-V19 HydrophobicContact CG-CG2 4.37Å
20	V	83.8	Confident	87.9	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.012	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-83.2	130.6	176	-172.1	0	0	0	0	109.2	V6 F23 F41 Y1195 I1206	V6-V20 PolarHBondContact O-N 3.34Å; V20-F23 HydrophobicContact CG1-CE1 4.44Å; V20-F23 HydrophobicContact CG1-CE2 4.14Å; V20-F23 HydrophobicContact CG1-CZ 3.86Å; V20-F41 HydrophobicContact CG2-CE2 3.56Å; V20-F41 HydrophobicContact CG2-CZ 3.89Å; V20-Y1195 HydrophobicContact CG1-CD1 3.84Å; V20-Y1195 HydrophobicContact CG1-CE1 3.45Å; V20-Y1195 VanDerWaalsContact CG1-CE1 3.45Å; V20-I1206 HydrophobicContact CG1-CD1 4.43Å; V20-I1206 HydrophobicContact CG2-CD1 4.47Å; V20-I1206 HydrophobicContact CG2-CG2 3.63Å
21	D	84.9	Confident	87.9	Confident	92 Å²	92	37.6 Å²	37.6	49%	0.492	19%	0.193	S	C	.	.	P	Polyproline II helix	trans	-55.9	149.6	174.1	-75.8	-34.9	0	0	0	111.7	F23 Y1195 V1208	D21-F23 PolarHBondContact O-N 3.37Å; D21-Y1195 HydrophobicContact CB-CE1 4.49Å; D21-Y1195 PolarHBondContact O-OH 3.18Å; D21-V1208 HydrophobicContact CB-CG2 3.58Å; D21-V1208 WeakPolarHBondContact OD2-CG2 3.49Å
22	P	88.3	Confident	87.6	Confident	58 Å²	58	37.9 Å²	37.9	38%	0.377	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-55.7	127.6	-170.7	-25.5	32.7	0	0	0	113.6	K4 K1193 Y1195	K4-P22 CarbonylContact O-C 3.47Å; K4-P22 WeakPolarHBondContact O-CA 3.46Å; P22-K1193 PolarHBondContact O-NZ 2.95Å; P22-Y1195 PolarHBondContact O-OH 3.02Å
23	F	92.1	Very high	87.2	Confident	5 Å²	5	41.3 Å²	41.3	2%	0.022	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-64.8	152.1	176.8	-72	-74.2	0	0	0	111.7	I3 K4 V6 V20 D21 N28 F41 I1179 Y1195	I3-F23 HydrophobicContact CG2-CD2 4.12Å; I3-F23 HydrophobicContact CG2-CE2 4.42Å; K4-F23 PolarHBondContact O-N 2.8Å; V6-F23 HydrophobicContact CG2-CE2 4.11Å; V20-F23 HydrophobicContact CG1-CE1 4.44Å; V20-F23 HydrophobicContact CG1-CE2 4.14Å; V20-F23 HydrophobicContact CG1-CZ 3.86Å; D21-F23 PolarHBondContact O-N 3.37Å; F23-N28 HydrophobicContact CD1-CB 3.91Å; F23-N28 HydrophobicContact CE1-CB 4.41Å; F23-F41 HydrophobicContact CE2-CZ 4.37Å; F23-F41 AromaticContact CZ-CE1 3.96Å; F23-F41 HydrophobicContact CZ-CE1 3.96Å; F23-F41 AromaticContact CZ-CZ 3.84Å; F23-F41 HydrophobicContact CZ-CZ 3.84Å; F23-I1179 HydrophobicContact CE1-CD1 4.49Å; F23-Y1195 WeakPolarHBondContact CA-OH 3.2Å; F23-Y1195 HydrophobicContact CD1-CD2 4.38Å; F23-Y1195 AromaticContact CD1-CE2 3.55Å; F23-Y1195 HydrophobicContact CD1-CE2 3.55Å; F23-Y1195 AromaticContact CD1-CZ 3.69Å; F23-Y1195 HydrophobicContact CE1-CD2 4.06Å; F23-Y1195 HydrophobicContact CE1-CE1 4.37Å; F23-Y1195 AromaticContact CE1-CE2 3.63Å; F23-Y1195 HydrophobicContact CE1-CE2 3.63Å; F23-Y1195 AromaticContact CE1-CZ 3.79Å; F23-Y1195 PolarHBondContact N-OH 3.01Å
24	S	89.8	Confident	86.8	Confident	16 Å²	16	46 Å²	46	11%	0.112	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-70.8	144.1	164.7	179.4	0	0	0	0	109.5	K26 N28 Q1177	S24-K26 PolarHBondContact O-N 3.46Å; S24-K26 PolarHBondContact OG-N 3.31Å; S24-N28 VanDerWaalsContact CB-OD1 3.29Å; S24-N28 WeakPolarHBondContact CB-OD1 3.48Å; S24-N28 PolarHBondContact N-OD1 3.21Å; S24-N28 PolarHBondContact O-ND2 3.39Å; S24-Q1177 PolarHBondContact O-NE2 3.47Å
25	P	87.1	Confident	86.1	Confident	68 Å²	68	49.5 Å²	49.5	44%	0.442	27%	0.269	S	S	.	.	S	Bend	trans	-68.5	-9.3	173.9	28.9	-35.9	0	0	0	113.6	Y2 Q1177	Y2-P25 HydrophobicContact CD1-CB 4.16Å; Y2-P25 HydrophobicContact CD2-CB 4.25Å; Y2-P25 HydrophobicContact CE1-CB 4.16Å; Y2-P25 HydrophobicContact CE2-CB 4.24Å; Y2-P25 HydrophobicContact CG-CB 4.22Å; P25-Q1177 VanDerWaalsContact O-CA 3.28Å; P25-Q1177 WeakPolarHBondContact O-CA 3.4Å; P25-Q1177 WeakPolarHBondContact O-CB 3.39Å
26	K	89	Confident	85.9	Confident	108 Å²	108	46.1 Å²	46.1	47%	0.47	26%	0.257	S	S	.	.	S	Bend	trans	-103.4	-117.6	-179.6	-65.1	-173.6	-176.9	-178.3	0	110.9	S24 A1173 Q1177 F1178 D1192	S24-K26 PolarHBondContact O-N 3.46Å; S24-K26 PolarHBondContact OG-N 3.31Å; K26-A1173 HydrophobicContact CB-CB 4.43Å; K26-A1173 WeakPolarHBondContact CG-O 3.14Å; K26-Q1177 CarbonylContact O-C 3.43Å; K26-Q1177 WeakPolarHBondContact O-CA 3.19Å; K26-F1178 PolarHBondContact O-N 3.4Å; K26-D1192 WeakPolarHBondContact CB-OD2 3.48Å
27	H	89.4	Confident	85.7	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125.7	-173.3	-173.7	-153.2	0	0	0	112.8	V29 A1173 F1178 T1180 S1190 D1192 K1193	H27-V29 WeakPolarHBondContact NE2-CG2 3.35Å; H27-A1173 HydrophobicContact CB-CB 4.31Å; H27-F1178 HydrophobicContact CB-CB 4.46Å; H27-T1180 PolarHBondContact NE2-OG1 3.35Å; H27-S1190 PolarHBondContact CE1-OG 3.45Å; H27-S1190 VanDerWaalsContact ND1-C 3.34Å; H27-S1190 PolarHBondContact ND1-O 3.41Å; H27-S1190 PolarHBondContact ND1-OG 3.3Å; H27-D1192 PolarHBondContact N-OD2 3.49Å; H27-D1192 PolarHBondContact O-N 3.32Å; H27-K1193 PolarHBondContact O-N 3.26Å
28	N	91.2	Very high	85.7	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	127.2	178.8	-52.4	-87.2	0	0	0	109.4	F23 S24 F1178 I1179 T1180 K1193 Y1195	F23-N28 HydrophobicContact CD1-CB 3.91Å; F23-N28 HydrophobicContact CE1-CB 4.41Å; S24-N28 VanDerWaalsContact CB-OD1 3.29Å; S24-N28 WeakPolarHBondContact CB-OD1 3.48Å; S24-N28 PolarHBondContact N-OD1 3.21Å; S24-N28 PolarHBondContact O-ND2 3.39Å; N28-F1178 PolarHBondContact N-O 2.76Å; N28-F1178 PolarHBondContact ND2-O 3.05Å; N28-I1179 HydrophobicContact CB-CG1 4.44Å; N28-I1179 WeakPolarHBondContact O-CA 3.45Å; N28-T1180 PolarHBondContact O-N 3.46Å; N28-K1193 WeakPolarHBondContact CA-O 3.07Å; N28-Y1195 HydrophobicContact CB-CE2 4.27Å
29	V	90.3	Very high	85.6	Confident	0 Å²	0	39 Å²	39	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	131.6	178.7	-178.5	0	0	0	0	110.5	H27 V31 T1180 T1182 L1188 A1191 K1193 F1194 Y1195	H27-V29 WeakPolarHBondContact NE2-CG2 3.35Å; V29-V31 HydrophobicContact CG1-CG1 4.06Å; V29-T1180 CarbonylContact C-O 3.5Å; V29-T1180 WeakPolarHBondContact CA-O 3.22Å; V29-T1180 WeakPolarHBondContact CG2-OG1 3.5Å; V29-T1182 HydrophobicContact CG1-CG2 3.77Å; V29-L1188 HydrophobicContact CB-CD2 4.27Å; V29-L1188 HydrophobicContact CG1-CD2 3.65Å; V29-A1191 HydrophobicContact CB-CB 4Å; V29-A1191 HydrophobicContact CG2-CB 3.36Å; V29-K1193 PolarHBondContact N-O 3.4Å; V29-F1194 HydrophobicContact CB-CD1 4.47Å; V29-F1194 WeakPolarHBondContact O-CA 3.21Å; V29-Y1195 PolarHBondContact O-N 3.02Å
30	I	90.3	Very high	85.7	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	114.9	177.7	-56.5	172.6	0	0	0	108.7	F41 F42 I1179 T1180 T1181 Y1195 V1197 I1206	I30-F41 HydrophobicContact CD1-CD1 3.62Å; I30-F41 HydrophobicContact CD1-CE1 3.67Å; I30-F42 HydrophobicContact CD1-CE2 3.83Å; I30-F42 HydrophobicContact CD1-CZ 4.26Å; I30-I1179 HydrophobicContact CD1-CG2 3.7Å; I30-I1179 HydrophobicContact CG1-CG2 4.41Å; I30-T1180 PolarHBondContact N-O 3.16Å; I30-T1181 HydrophobicContact CB-CG2 3.99Å; I30-T1181 HydrophobicContact CG2-CG2 4.39Å; I30-T1181 WeakPolarHBondContact O-CA 3.46Å; I30-Y1195 CarbonylContact C-O 2.8Å; I30-Y1195 WeakPolarHBondContact CA-O 3.44Å; I30-V1197 HydrophobicContact CG2-CG2 3.62Å; I30-I1206 HydrophobicContact CG2-CD1 4.39Å
31	V	88.4	Confident	85.9	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	162.7	177.1	-64	0	0	0	0	111.7	V29 L1188 Y1195 G1196 V1197 I1209 A1214 F1217 V1218	V29-V31 HydrophobicContact CG1-CG1 4.06Å; V31-L1188 HydrophobicContact CG1-CD2 3.67Å; V31-Y1195 PolarHBondContact N-O 2.62Å; V31-G1196 CarbonylContact O-C 3.6Å; V31-G1196 WeakPolarHBondContact O-CA 3.42Å; V31-V1197 PolarHBondContact O-N 3.13Å; V31-I1209 HydrophobicContact CG2-CD1 3.49Å; V31-I1209 VanDerWaalsContact CG2-CD1 3.49Å; V31-A1214 HydrophobicContact CG2-CB 4.03Å; V31-F1217 HydrophobicContact CG2-CB 4.49Å; V31-V1218 HydrophobicContact CG1-CG2 4.42Å
32	G	84.1	Confident	86	Confident	6 Å²	6	33.4 Å²	33.4	6%	0.062	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.1	164.5	178.8	0	0	0	0	0	110.9	K38 F1183	G32-K38 PolarHBondContact O-NZ 2.74Å; G32-F1183 WeakPolarHBondContact O-CE1 3.43Å
33	R	81.3	Confident	85.9	Confident	151 Å²	151	33.9 Å²	33.9	57%	0.57	19%	0.188	S	C	*	.			trans	-63.8	160.2	-178	-67.3	-175.3	176.9	-173	-4.9	112.9	G35 S36 K38	R33-G35 PolarHBondContact O-N 3.36Å; R33-S36 VanDerWaalsContact O-CB 3.27Å; R33-S36 WeakPolarHBondContact O-CB 3.36Å; R33-S36 PolarHBondContact O-N 3.33Å; R33-S36 VanDerWaalsContact O-N 3.15Å; R33-S36 PolarHBondContact O-OG 3.31Å; R33-K38 PolarHBondContact O-NZ 3.2Å
34	N	79.4	Confident	85.8	Confident	112 Å²	112	33.6 Å²	33.6	60%	0.599	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	131.4	170	-79.9	-40.1	0	0	0	110.8	S36 F1183	N34-S36 VanDerWaalsContact C-N 3.31Å; N34-S36 PolarHBondContact O-N 3.39Å; N34-F1183 VanDerWaalsContact OD1-CE1 3.31Å; N34-F1183 WeakPolarHBondContact OD1-CE1 3.41Å; N34-F1183 WeakPolarHBondContact OD1-CZ 3.35Å
35	G	74.8	Confident	85.7	Confident	74 Å²	74	32.9 Å²	32.9	76%	0.763	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.2	5.9	-178.6	0	0	0	0	0	116.5	R33 G37	R33-G35 PolarHBondContact O-N 3.36Å; G35-G37 VanDerWaalsContact C-N 3.25Å; G35-G37 PolarHBondContact O-N 3.29Å
36	S	80.9	Confident	85.6	Confident	5 Å²	5	29.8 Å²	29.8	4%	0.035	16%	0.161	C	C	.	.	S	Bend	trans	-70.7	-12.3	-177.9	54.2	0	0	0	0	115.8	R33 N34 V1197 S1204	R33-S36 VanDerWaalsContact O-CB 3.27Å; R33-S36 WeakPolarHBondContact O-CB 3.36Å; R33-S36 PolarHBondContact O-N 3.33Å; R33-S36 VanDerWaalsContact O-N 3.15Å; R33-S36 PolarHBondContact O-OG 3.31Å; N34-S36 VanDerWaalsContact C-N 3.31Å; N34-S36 PolarHBondContact O-N 3.39Å; S36-V1197 WeakPolarHBondContact O-CG1 3.27Å; S36-S1204 PolarHBondContact O-OG 2.83Å
37	G	80.7	Confident	85.6	Confident	8 Å²	8	24.7 Å²	24.7	8%	0.082	14%	0.139	C	C	.	.	S	Bend	trans	104.8	16.4	-179	0	0	0	0	0	115.5	Y14 G35 N40 F41	Y14-G37 PolarHBondContact OH-O 3.43Å; G35-G37 VanDerWaalsContact C-N 3.25Å; G35-G37 PolarHBondContact O-N 3.29Å; G37-N40 WeakPolarHBondContact O-CB 3.28Å; G37-N40 PolarHBondContact O-N 2.84Å; G37-F41 PolarHBondContact O-N 2.9Å
38	K	84.3	Confident	85.5	Confident	7 Å²	7	24.6 Å²	24.6	3%	0.03	14%	0.138	C	C	.	.	H	α-helix	trans	-57.2	-54.2	175.6	-59.2	-171.5	-61.7	-80.2	0	112.8	G32 R33 N40 F41 F42 T1181 V1197	G32-K38 PolarHBondContact O-NZ 2.74Å; R33-K38 PolarHBondContact O-NZ 3.2Å; K38-N40 PolarHBondContact O-N 3.27Å; K38-F41 WeakPolarHBondContact O-CA 2.97Å; K38-F41 WeakPolarHBondContact O-CB 3.32Å; K38-F41 PolarHBondContact O-N 3Å; K38-F42 PolarHBondContact O-N 3.36Å; K38-T1181 HydrophobicContact CB-CG2 4.36Å; K38-V1197 HydrophobicContact CG-CB 4.08Å; K38-V1197 HydrophobicContact CG-CG2 4.04Å
39	S	83	Confident	85.1	Confident	34 Å²	34	25 Å²	25	24%	0.238	14%	0.14	C	C	.	.	H	α-helix	trans	-63	-28.6	179.6	-38.9	0	0	0	0	112.3	F41 F42 Y43	S39-F41 VanDerWaalsContact C-N 3.27Å; S39-F41 PolarHBondContact O-N 3.43Å; S39-F42 PolarHBondContact O-N 3.37Å; S39-Y43 VanDerWaalsContact O-CD2 3.29Å; S39-Y43 WeakPolarHBondContact O-CD2 3.34Å; S39-Y43 PolarHBondContact O-N 2.97Å
40	N	87.4	Confident	84.6	Confident	33 Å²	33	25.4 Å²	25.4	18%	0.176	14%	0.143	C	C	.	.	H	α-helix	trans	-66.4	-29.1	173.9	-71.7	-23.7	0	0	0	112.4	R12 S13 Y14 G37 K38 A44	R12-N40 HydrophobicContact CB-CB 4.47Å; R12-N40 WeakPolarHBondContact CD-OD1 3.49Å; R12-N40 PolarHBondContact NH1-OD1 3.23Å; R12-N40 VanDerWaalsContact NH1-OD1 3.08Å; S13-N40 PolarHBondContact OG-ND2 2.98Å; Y14-N40 HydrophobicContact CE2-CB 4.17Å; G37-N40 WeakPolarHBondContact O-CB 3.28Å; G37-N40 PolarHBondContact O-N 2.84Å; K38-N40 PolarHBondContact O-N 3.27Å; N40-A44 PolarHBondContact O-N 2.85Å
41	F	87.9	Confident	83.7	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-67.3	-45.9	173.4	-172.8	-101.9	0	0	0	111.5	V6 I8 Y14 V20 F23 I30 G37 K38 S39 Y43 A44 I45 I1206	V6-F41 HydrophobicContact CB-CE2 4.49Å; V6-F41 HydrophobicContact CB-CZ 4.25Å; V6-F41 HydrophobicContact CG1-CE2 4.49Å; V6-F41 HydrophobicContact CG2-CZ 4.47Å; I8-F41 HydrophobicContact CD1-CD2 3.49Å; I8-F41 VanDerWaalsContact CD1-CD2 3.49Å; I8-F41 HydrophobicContact CD1-CE2 3.61Å; Y14-F41 HydrophobicContact CE2-CB 4.4Å; V20-F41 HydrophobicContact CG2-CE2 3.56Å; V20-F41 HydrophobicContact CG2-CZ 3.89Å; F23-F41 HydrophobicContact CE2-CZ 4.37Å; F23-F41 AromaticContact CZ-CE1 3.96Å; F23-F41 HydrophobicContact CZ-CE1 3.96Å; F23-F41 AromaticContact CZ-CZ 3.84Å; F23-F41 HydrophobicContact CZ-CZ 3.84Å; I30-F41 HydrophobicContact CD1-CD1 3.62Å; I30-F41 HydrophobicContact CD1-CE1 3.67Å; G37-F41 PolarHBondContact O-N 2.9Å; K38-F41 WeakPolarHBondContact O-CA 2.97Å; K38-F41 WeakPolarHBondContact O-CB 3.32Å; K38-F41 PolarHBondContact O-N 3Å; S39-F41 VanDerWaalsContact C-N 3.27Å; S39-F41 PolarHBondContact O-N 3.43Å; F41-Y43 VanDerWaalsContact C-N 3.32Å; F41-Y43 PolarHBondContact O-N 3.45Å; F41-A44 WeakPolarHBondContact O-CB 3.36Å; F41-A44 PolarHBondContact O-N 3.04Å; F41-I45 HydrophobicContact CD1-CD1 4.14Å; F41-I45 HydrophobicContact CE1-CD1 3.58Å; F41-I45 HydrophobicContact CE1-CG1 4.44Å; F41-I45 HydrophobicContact CZ-CD1 4.08Å; F41-I45 PolarHBondContact O-N 3.3Å; F41-I45 VanDerWaalsContact O-N 3.17Å; F41-I1206 HydrophobicContact CD2-CD1 4.23Å; F41-I1206 HydrophobicContact CE2-CD1 4.18Å; F41-I1206 HydrophobicContact CG-CD1 4.46Å; F41-I1206 HydrophobicContact CZ-CD1 4.32Å
42	F	86.6	Confident	82.8	Confident	14 Å²	14	31.2 Å²	31.2	6%	0.061	17%	0.171	C	C	.	.	H	α-helix	trans	-63.1	-39.8	175.4	-79.4	-104.1	0	0	0	111.7	I30 K38 S39 A44 I45 Q46 L1148 D1150 I1179 T1181	I30-F42 HydrophobicContact CD1-CE2 3.83Å; I30-F42 HydrophobicContact CD1-CZ 4.26Å; K38-F42 PolarHBondContact O-N 3.36Å; S39-F42 PolarHBondContact O-N 3.37Å; F42-A44 VanDerWaalsContact C-N 3.28Å; F42-A44 PolarHBondContact O-N 3.13Å; F42-I45 PolarHBondContact O-N 3.35Å; F42-Q46 WeakPolarHBondContact O-CB 3.4Å; F42-Q46 PolarHBondContact O-N 3.17Å; F42-L1148 HydrophobicContact CD1-CB 4.04Å; F42-L1148 HydrophobicContact CD1-CD2 3.83Å; F42-L1148 HydrophobicContact CE1-CB 3.97Å; F42-L1148 HydrophobicContact CE1-CD2 3.71Å; F42-L1148 HydrophobicContact CE1-CG 4.48Å; F42-D1150 HydrophobicContact CD1-CB 4.43Å; F42-I1179 HydrophobicContact CE1-CG2 4.37Å; F42-I1179 HydrophobicContact CZ-CG2 3.91Å; F42-T1181 HydrophobicContact CD2-CG2 3.99Å; F42-T1181 HydrophobicContact CE2-CG2 3.17Å; F42-T1181 HydrophobicContact CZ-CG2 3.64Å
43	Y	86.9	Confident	82.2	Confident	68 Å²	68	31.9 Å²	31.9	27%	0.267	17%	0.172	S	C	.	.	H	α-helix	trans	-63.3	-31.9	172.7	-70.5	-36.4	0	0	0	113.2	R12 S39 F41 F47 F53	R12-Y43 VanDerWaalsContact NH1-CD2 3.33Å; S39-Y43 VanDerWaalsContact O-CD2 3.29Å; S39-Y43 WeakPolarHBondContact O-CD2 3.34Å; S39-Y43 PolarHBondContact O-N 2.97Å; F41-Y43 VanDerWaalsContact C-N 3.32Å; F41-Y43 PolarHBondContact O-N 3.45Å; Y43-F47 WeakPolarHBondContact O-CB 3.24Å; Y43-F47 PolarHBondContact O-N 3.13Å; Y43-F53 HydrophobicContact CD1-CZ 4.16Å
44	A	89.1	Confident	81.5	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-66.9	-44.9	175.2	0	0	0	0	0	111.5	I8 F11 N40 F41 F42 F47 V48 V78	I8-A44 HydrophobicContact CD1-CB 3.65Å; I8-A44 HydrophobicContact CG1-CB 4.16Å; F11-A44 HydrophobicContact CD1-CB 3.79Å; F11-A44 HydrophobicContact CE1-CB 3.69Å; F11-A44 HydrophobicContact CZ-CB 4.43Å; N40-A44 PolarHBondContact O-N 2.85Å; F41-A44 WeakPolarHBondContact O-CB 3.36Å; F41-A44 PolarHBondContact O-N 3.04Å; F42-A44 VanDerWaalsContact C-N 3.28Å; F42-A44 PolarHBondContact O-N 3.13Å; A44-F47 WeakPolarHBondContact O-CB 3.46Å; A44-F47 PolarHBondContact O-N 3.3Å; A44-V48 PolarHBondContact O-N 3.47Å; A44-V78 HydrophobicContact CB-CG1 4.17Å; A44-V78 HydrophobicContact CB-CG2 4.05Å
45	I	88.3	Confident	81.1	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.4	-45.8	175.9	-64.7	176.6	0	0	0	110.4	I3 V6 F41 F42 F47 V48 L49 I80 L1148	I3-I45 HydrophobicContact CD1-CG2 4.19Å; V6-I45 HydrophobicContact CG1-CG1 4.3Å; V6-I45 HydrophobicContact CG2-CD1 4.1Å; V6-I45 HydrophobicContact CG2-CG1 4.06Å; F41-I45 HydrophobicContact CD1-CD1 4.14Å; F41-I45 HydrophobicContact CE1-CD1 3.58Å; F41-I45 HydrophobicContact CE1-CG1 4.44Å; F41-I45 HydrophobicContact CZ-CD1 4.08Å; F41-I45 PolarHBondContact O-N 3.3Å; F41-I45 VanDerWaalsContact O-N 3.17Å; F42-I45 PolarHBondContact O-N 3.35Å; I45-F47 VanDerWaalsContact C-N 3.28Å; I45-F47 PolarHBondContact O-N 3.24Å; I45-V48 PolarHBondContact O-N 2.95Å; I45-L49 HydrophobicContact CG2-CD1 3.79Å; I45-L49 PolarHBondContact O-N 2.95Å; I45-I80 HydrophobicContact CG2-CD1 4.1Å; I45-L1148 HydrophobicContact CD1-CD2 3.98Å; I45-L1148 HydrophobicContact CG2-CD1 3.68Å; I45-L1148 HydrophobicContact CG2-CD2 4.25Å
46	Q	85.1	Confident	81.1	Confident	3 Å²	3	26 Å²	26	1%	0.014	13%	0.131	C	C	.	.	H	α-helix	trans	-62.4	-37	177.1	-167	-166.4	-3.7	0	0	111.8	F42 V48 L49 S50 E52 F53 I138	F42-Q46 WeakPolarHBondContact O-CB 3.4Å; F42-Q46 PolarHBondContact O-N 3.17Å; Q46-V48 PolarHBondContact O-N 3.25Å; Q46-L49 PolarHBondContact O-N 3.47Å; Q46-S50 WeakPolarHBondContact O-CB 3.42Å; Q46-S50 PolarHBondContact O-N 3.15Å; Q46-E52 PolarHBondContact NE2-OE2 3.46Å; Q46-F53 HydrophobicContact CB-CE2 4.03Å; Q46-F53 HydrophobicContact CG-CE2 3.77Å; Q46-I138 HydrophobicContact CB-CD1 4.39Å; Q46-I138 HydrophobicContact CG-CD1 3.95Å
47	F	87.7	Confident	81.1	Confident	1 Å²	1	34.4 Å²	34.4	0%	0.004	16%	0.161	C	C	.	.	H	α-helix	trans	-60	-33	-179.9	171	-104.9	0	0	0	112.5	F11 Y43 A44 I45 F53 L64 V78 R100 I102	F11-F47 HydrophobicContact CE2-CB 4.29Å; F11-F47 HydrophobicContact CE2-CD1 4.21Å; F11-F47 HydrophobicContact CE2-CG 4.07Å; F11-F47 HydrophobicContact CZ-CB 4.21Å; F11-F47 HydrophobicContact CZ-CG 4.47Å; Y43-F47 WeakPolarHBondContact O-CB 3.24Å; Y43-F47 PolarHBondContact O-N 3.13Å; A44-F47 WeakPolarHBondContact O-CB 3.46Å; A44-F47 PolarHBondContact O-N 3.3Å; I45-F47 VanDerWaalsContact C-N 3.28Å; I45-F47 PolarHBondContact O-N 3.24Å; F47-F53 HydrophobicContact CB-CD2 4.35Å; F47-F53 HydrophobicContact CD2-CB 3.97Å; F47-F53 HydrophobicContact CD2-CD2 4.44Å; F47-F53 HydrophobicContact CD2-CG 4.18Å; F47-F53 HydrophobicContact CE2-CB 4.44Å; F47-L64 HydrophobicContact CD2-CD1 4.32Å; F47-L64 HydrophobicContact CE2-CD1 4.22Å; F47-V78 HydrophobicContact CD1-CB 4.37Å; F47-V78 HydrophobicContact CD1-CG2 4.07Å; F47-R100 HydrophobicContact CE1-CB 3.89Å; F47-R100 VanDerWaalsContact CE1-CD 3.49Å; F47-R100 HydrophobicContact CE1-CG 3.68Å; F47-R100 HydrophobicContact CZ-CB 4.47Å; F47-R100 HydrophobicContact CZ-CG 3.75Å; F47-R100 WeakPolarHBondContact O-CD 3.39Å; F47-R100 PolarHBondContact O-NH1 3.29Å; F47-I102 HydrophobicContact CE1-CB 4.38Å; F47-I102 HydrophobicContact CE1-CG2 4.21Å; F47-I102 HydrophobicContact CZ-CB 3.75Å; F47-I102 HydrophobicContact CZ-CG1 4.23Å; F47-I102 HydrophobicContact CZ-CG2 3.95Å
48	V	87.8	Confident	81.1	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-80.7	-39.2	176.9	-179.3	0	0	0	0	111.8	A44 I45 Q46 V78 I80 L98 R100	A44-V48 PolarHBondContact O-N 3.47Å; I45-V48 PolarHBondContact O-N 2.95Å; Q46-V48 PolarHBondContact O-N 3.25Å; V48-V78 HydrophobicContact CG2-CB 3.59Å; V48-V78 HydrophobicContact CG2-CG1 3.55Å; V48-I80 HydrophobicContact CB-CD1 3.67Å; V48-I80 HydrophobicContact CB-CG1 4.22Å; V48-I80 HydrophobicContact CG1-CD1 3.97Å; V48-I80 HydrophobicContact CG1-CG1 4.28Å; V48-I80 HydrophobicContact CG2-CD1 4.09Å; V48-I80 HydrophobicContact CG2-CG1 4.2Å; V48-L98 HydrophobicContact CG1-CB 4.43Å; V48-L98 HydrophobicContact CG1-CD2 3.7Å; V48-L98 HydrophobicContact CG1-CG 3.74Å; V48-R100 HydrophobicContact CG2-CB 4.2Å
49	L	83.8	Confident	81	Confident	7 Å²	7	45.9 Å²	45.9	4%	0.037	22%	0.222	C	C	.	.	H	α-helix	trans	-94.1	-22	-167.8	-68.1	167.9	0	0	0	115	I45 Q46 I80 F82 L125 F1146	I45-L49 HydrophobicContact CG2-CD1 3.79Å; I45-L49 PolarHBondContact O-N 2.95Å; Q46-L49 PolarHBondContact O-N 3.47Å; L49-I80 HydrophobicContact CD1-CD1 4.03Å; L49-I80 HydrophobicContact CG-CD1 4.01Å; L49-F82 HydrophobicContact CD2-CE1 4.42Å; L49-F82 HydrophobicContact CD2-CZ 3.65Å; L49-L125 HydrophobicContact CD2-CD2 4.22Å; L49-F1146 HydrophobicContact CD1-CE2 3.92Å; L49-F1146 HydrophobicContact CD1-CZ 3.49Å; L49-F1146 VanDerWaalsContact CD1-CZ 3.49Å
50	S	77.9	Confident	81	Confident	9 Å²	9	48.8 Å²	48.8	6%	0.063	23%	0.231	C	C	.	.			trans	-110.8	143.6	-172	-171	0	0	0	0	112.7	Q46 E52	Q46-S50 WeakPolarHBondContact O-CB 3.42Å; Q46-S50 PolarHBondContact O-N 3.15Å; S50-E52 VanDerWaalsContact C-N 3.3Å; S50-E52 PolarHBondContact O-N 3.14Å; S50-E52 PolarHBondContact OG-N 2.99Å
51	D	71.9	Confident	80.9	Confident	23 Å²	23	50.3 Å²	50.3	12%	0.123	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-80.5	-7.2	177.6	-154	9.9	0	0	0	114	F53 S54 K118 M122	D51-F53 PolarHBondContact O-N 3.19Å; D51-F53 VanDerWaalsContact O-N 3.17Å; D51-S54 WeakPolarHBondContact O-CB 3.49Å; D51-S54 PolarHBondContact O-N 3.14Å; D51-S54 PolarHBondContact O-OG 2.65Å; D51-S54 WeakPolarHBondContact OD1-CB 3.38Å; D51-S54 PolarHBondContact OD1-OG 2.8Å; D51-K118 WeakPolarHBondContact OD1-CE 3.16Å; D51-K118 IonicContact OD1-NZ 2.65Å; D51-K118 PolarHBondContact OD1-NZ 3.14Å; D51-K118 IonicContact OD2-NZ 3.17Å; D51-K118 PolarHBondContact OD2-NZ 3.44Å; D51-M122 HydrophobicContact CB-CE 3.85Å; D51-M122 HydrophobicContact CB-SD 4.44Å
52	E	70.3	Confident	80.7	Confident	100 Å²	100	54.2 Å²	54.2	47%	0.467	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-57.9	-33.6	-177.2	-169.7	-179	168.2	0	0	112.5	Q46 S50 S54 K140	Q46-E52 PolarHBondContact NE2-OE2 3.46Å; S50-E52 VanDerWaalsContact C-N 3.3Å; S50-E52 PolarHBondContact O-N 3.14Å; S50-E52 PolarHBondContact OG-N 2.99Å; E52-S54 VanDerWaalsContact C-N 3.29Å; E52-S54 PolarHBondContact O-N 3.02Å; E52-K140 IonicContact OE1-NZ 3.66Å; E52-K140 PolarHBondContact OE1-NZ 2.94Å; E52-K140 IonicContact OE2-NZ 2.63Å; E52-K140 PolarHBondContact OE2-NZ 3.41Å
53	F	70.3	Confident	80.6	Confident	20 Å²	20	56.5 Å²	56.5	9%	0.088	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-84.1	4.4	-178.4	-64.4	-76.5	0	0	0	113.9	Y43 Q46 F47 D51 L56	Y43-F53 HydrophobicContact CD1-CZ 4.16Å; Q46-F53 HydrophobicContact CB-CE2 4.03Å; Q46-F53 HydrophobicContact CG-CE2 3.77Å; F47-F53 HydrophobicContact CB-CD2 4.35Å; F47-F53 HydrophobicContact CD2-CB 3.97Å; F47-F53 HydrophobicContact CD2-CD2 4.44Å; F47-F53 HydrophobicContact CD2-CG 4.18Å; F47-F53 HydrophobicContact CE2-CB 4.44Å; D51-F53 PolarHBondContact O-N 3.19Å; D51-F53 VanDerWaalsContact O-N 3.17Å; F53-L56 HydrophobicContact CB-CD1 3.94Å; F53-L56 HydrophobicContact CD1-CD1 4.04Å; F53-L56 WeakPolarHBondContact O-CD1 3.45Å; F53-L56 WeakPolarHBondContact O-CG 3.34Å
54	S	66.7	Low	80.6	Confident	17 Å²	17	53.4 Å²	53.4	12%	0.119	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-79.2	-25.9	-179.9	67.8	0	0	0	0	113.8	D51 E52 K118	D51-S54 WeakPolarHBondContact O-CB 3.49Å; D51-S54 PolarHBondContact O-N 3.14Å; D51-S54 PolarHBondContact O-OG 2.65Å; D51-S54 WeakPolarHBondContact OD1-CB 3.38Å; D51-S54 PolarHBondContact OD1-OG 2.8Å; E52-S54 VanDerWaalsContact C-N 3.29Å; E52-S54 PolarHBondContact O-N 3.02Å; S54-K118 VanDerWaalsContact CB-NZ 3.34Å; S54-K118 PolarHBondContact OG-NZ 3.27Å
55	H	70.9	Confident	80.6	Confident	166 Å²	166	54.2 Å²	54.2	77%	0.769	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-93	16.6	-178.4	-60.4	-64.5	0	0	0	114.4
56	L	75.8	Confident	80.5	Confident	32 Å²	32	54.9 Å²	54.9	17%	0.168	27%	0.272	C	S	.	.			trans	-66.1	134.7	-179.3	-70.3	162	0	0	0	112.1	F53 Q60 R61 L64	F53-L56 HydrophobicContact CB-CD1 3.94Å; F53-L56 HydrophobicContact CD1-CD1 4.04Å; F53-L56 WeakPolarHBondContact O-CD1 3.45Å; F53-L56 WeakPolarHBondContact O-CG 3.34Å; L56-Q60 HydrophobicContact CB-CB 4.24Å; L56-Q60 HydrophobicContact CD2-CB 3.66Å; L56-R61 HydrophobicContact CB-CG 3.72Å; L56-R61 HydrophobicContact CD1-CG 4.38Å; L56-R61 PolarHBondContact O-NE 3.34Å; L56-R61 VanDerWaalsContact O-NE 3.11Å; L56-L64 HydrophobicContact CD1-CD1 3.58Å
57	R	81.4	Confident	80.3	Confident	181 Å²	181	61.9 Å²	61.9	68%	0.683	31%	0.305	S	S	*	.			trans	-65.3	156.1	169	-63.6	-175.2	-176.1	-171.4	1.1	110.7	E59 Q60 R61	R57-E59 VanDerWaalsContact C-N 3.28Å; R57-E59 PolarHBondContact O-N 2.85Å; R57-Q60 HydrophobicContact CB-CG 4.33Å; R57-Q60 WeakPolarHBondContact O-CB 3.47Å; R57-Q60 PolarHBondContact O-N 3.17Å; R57-R61 PolarHBondContact O-N 3.4Å
58	P	81.1	Confident	79.6	Confident	99 Å²	99	63.3 Å²	63.3	64%	0.643	32%	0.32	S	S	*	.	H	α-helix	trans	-52.8	-40.9	-179.6	-28.2	35.8	0	0	0	114.4	Q60 R61 L62	P58-Q60 VanDerWaalsContact C-N 3.35Å; P58-Q60 PolarHBondContact O-N 3.46Å; P58-R61 WeakPolarHBondContact O-CB 3.23Å; P58-R61 PolarHBondContact O-N 2.7Å; P58-L62 PolarHBondContact O-N 2.77Å
59	E	82.2	Confident	78.7	Confident	157 Å²	157	67.4 Å²	67.4	73%	0.734	35%	0.345	S	S	*	.	H	α-helix	trans	-60.7	-42.6	175.4	-65.8	169	-174.9	0	0	112.2	R57 R61 L62 A63	R57-E59 VanDerWaalsContact C-N 3.28Å; R57-E59 PolarHBondContact O-N 2.85Å; E59-R61 VanDerWaalsContact C-N 3.32Å; E59-R61 PolarHBondContact O-N 3.04Å; E59-L62 PolarHBondContact O-N 3.02Å; E59-A63 PolarHBondContact O-N 2.76Å
60	Q	82.2	Confident	78.1	Confident	94 Å²	94	69.5 Å²	69.5	44%	0.439	37%	0.368	S	S	.	.	H	α-helix	trans	-71.4	-28.4	179	-60.5	175.4	-29.3	0	0	112	L56 R57 P58 L64	L56-Q60 HydrophobicContact CB-CB 4.24Å; L56-Q60 HydrophobicContact CD2-CB 3.66Å; R57-Q60 HydrophobicContact CB-CG 4.33Å; R57-Q60 WeakPolarHBondContact O-CB 3.47Å; R57-Q60 PolarHBondContact O-N 3.17Å; P58-Q60 VanDerWaalsContact C-N 3.35Å; P58-Q60 PolarHBondContact O-N 3.46Å; Q60-L64 PolarHBondContact O-N 3.03Å
61	R	84.5	Confident	78	Confident	65 Å²	65	74.9 Å²	74.9	25%	0.245	40%	0.403	C	S	.	.	H	α-helix	trans	-70.4	-40	172	-66.4	-178.9	-175	-168.8	-6.4	111.5	L56 R57 P58 E59 A63 L64	L56-R61 HydrophobicContact CB-CG 3.72Å; L56-R61 HydrophobicContact CD1-CG 4.38Å; L56-R61 PolarHBondContact O-NE 3.34Å; L56-R61 VanDerWaalsContact O-NE 3.11Å; R57-R61 PolarHBondContact O-N 3.4Å; P58-R61 WeakPolarHBondContact O-CB 3.23Å; P58-R61 PolarHBondContact O-N 2.7Å; E59-R61 VanDerWaalsContact C-N 3.32Å; E59-R61 PolarHBondContact O-N 3.04Å; R61-A63 VanDerWaalsContact C-N 3.3Å; R61-L64 WeakPolarHBondContact O-CB 3.49Å; R61-L64 PolarHBondContact O-N 3.23Å
62	L	84.2	Confident	78.4	Confident	82 Å²	82	85 Å²	85	43%	0.429	44%	0.44	S	S	.	.	H	α-helix	trans	-63	-41	174.8	-163.7	155.2	0	0	0	110.4	P58 E59 L64 L65 E67	P58-L62 PolarHBondContact O-N 2.77Å; E59-L62 PolarHBondContact O-N 3.02Å; L62-L64 PolarHBondContact O-N 3.26Å; L62-L64 VanDerWaalsContact O-N 3.09Å; L62-L65 WeakPolarHBondContact O-CB 3.45Å; L62-L65 PolarHBondContact O-N 3.37Å; L62-E67 WeakPolarHBondContact CD2-OE1 3.47Å
63	A	84.6	Confident	79	Confident	63 Å²	63	82 Å²	82	52%	0.521	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-10.2	175.3	0	0	0	0	0	115.3	E59 R61	E59-A63 PolarHBondContact O-N 2.76Å; R61-A63 VanDerWaalsContact C-N 3.3Å
64	L	87.3	Confident	79.8	Confident	3 Å²	3	88 Å²	88	2%	0.016	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-18.6	170.7	-67.6	179.7	0	0	0	112.8	F11 R12 F47 L56 Q60 R61 L62	F11-L64 HydrophobicContact CE2-CB 4.28Å; F11-L64 HydrophobicContact CE2-CD2 4.13Å; F11-L64 HydrophobicContact CZ-CD2 4.23Å; R12-L64 HydrophobicContact CG-CD2 4.5Å; R12-L64 PolarHBondContact N-O 2.95Å; F47-L64 HydrophobicContact CD2-CD1 4.32Å; F47-L64 HydrophobicContact CE2-CD1 4.22Å; L56-L64 HydrophobicContact CD1-CD1 3.58Å; Q60-L64 PolarHBondContact O-N 3.03Å; R61-L64 WeakPolarHBondContact O-CB 3.49Å; R61-L64 PolarHBondContact O-N 3.23Å; L62-L64 PolarHBondContact O-N 3.26Å; L62-L64 VanDerWaalsContact O-N 3.09Å
65	L	88.8	Confident	80.9	Confident	16 Å²	16	90.6 Å²	90.6	8%	0.084	48%	0.477	C	S	.	.	B	Isolated β-bridge	trans	-80.2	148.3	176.4	-57.1	176.6	0	0	0	109.9	L62 E67 A76 I102	L62-L65 WeakPolarHBondContact O-CB 3.45Å; L62-L65 PolarHBondContact O-N 3.37Å; L65-E67 PolarHBondContact O-N 3.42Å; L65-A76 HydrophobicContact CD2-CB 3.62Å; L65-I102 HydrophobicContact CD2-CG2 4.43Å
66	H	86.6	Confident	81.9	Confident	15 Å²	15	82.7 Å²	82.7	7%	0.069	44%	0.441	C	S	.	.			trans	-67.9	121.9	178.9	177.5	74.4	0	0	0	112.6	G10 R12 G68 V73 K1202	G10-H66 PolarHBondContact O-N 3.09Å; R12-H66 WeakPolarHBondContact O-CA 3.09Å; R12-H66 VanDerWaalsContact O-CB 3.26Å; R12-H66 WeakPolarHBondContact O-CB 3.4Å; R12-H66 PolarHBondContact O-ND1 3.36Å; H66-G68 WeakPolarHBondContact NE2-CA 3.44Å; H66-G68 PolarHBondContact NE2-N 3.12Å; H66-V73 HydrophobicContact CB-CG2 4.31Å; H66-K1202 PolarHBondContact CE1-O 3.34Å
67	E	80.9	Confident	82.7	Confident	149 Å²	149	82.9 Å²	82.9	70%	0.696	44%	0.44	S	S	*	.			trans	-110.6	88.6	173.7	-65	-174	167	0	0	110.2	L62 L65	L62-E67 WeakPolarHBondContact CD2-OE1 3.47Å; L65-E67 PolarHBondContact O-N 3.42Å
68	G	71.6	Confident	83.3	Confident	32 Å²	32	74.3 Å²	74.3	33%	0.33	41%	0.408	S	S	.	.	S	Bend	trans	-136.9	-170.9	-179.3	0	0	0	0	0	113.6	H66 G70	H66-G68 WeakPolarHBondContact NE2-CA 3.44Å; H66-G68 PolarHBondContact NE2-N 3.12Å; G68-G70 PolarHBondContact O-N 3.37Å
69	T	70.4	Confident	83.9	Confident	86 Å²	86	70.2 Å²	70.2	53%	0.528	38%	0.38	S	S	.	.	S	Bend	trans	-74.5	112.4	176.3	45.4	0	0	0	0	110.2	R15 K1202	R15-T69 PolarHBondContact NH1-O 3.11Å; R15-T69 VanDerWaalsContact NH1-O 3.14Å; T69-K1202 HydrophobicContact CG2-CD 4.34Å
70	G	70.8	Confident	84.5	Confident	51 Å²	51	62.7 Å²	62.7	53%	0.526	35%	0.345	S	S	.	.	S	Bend	trans	147	-173.7	-177.3	0	0	0	0	0	112.6	G68	G68-G70 PolarHBondContact O-N 3.37Å
71	P	76.1	Confident	85	Confident	121 Å²	121	59 Å²	59	79%	0.786	33%	0.328	S	S	*	.	S	Bend	trans	-62.3	140.2	172.4	26.7	-33.1	0	0	0	110.7	V73	P71-V73 PolarHBondContact O-N 2.99Å
72	R	79.2	Confident	85.3	Confident	237 Å²	237	56.1 Å²	56.1	89%	0.894	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-62	127.1	178.3	-74.9	-174.9	176.1	-179.1	-1.1	110.3	I74	R72-I74 PolarHBondContact O-N 3.3Å
73	V	84.1	Confident	85.6	Confident	36 Å²	36	53.1 Å²	53.1	22%	0.218	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-75.5	117.9	176.4	-179.6	0	0	0	0	109.2	H66 P71 S75	H66-V73 HydrophobicContact CB-CG2 4.31Å; P71-V73 PolarHBondContact O-N 2.99Å; V73-S75 VanDerWaalsContact CG1-O 3.22Å; V73-S75 WeakPolarHBondContact CG1-O 3.14Å
74	I	86.1	Confident	85.8	Confident	147 Å²	147	50.1 Å²	50.1	75%	0.754	28%	0.277	S	S	*	.	S	Bend	trans	-84.2	-30.1	-176.5	-56.1	170.9	0	0	0	111.5	R72	R72-I74 PolarHBondContact O-N 3.3Å
75	S	89.6	Confident	85.7	Confident	70 Å²	70	53.6 Å²	53.6	49%	0.49	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	139.2	179.8	57.9	0	0	0	0	110.8	V73 I102	V73-S75 VanDerWaalsContact CG1-O 3.22Å; V73-S75 WeakPolarHBondContact CG1-O 3.14Å; S75-I102 CarbonylContact C-O 3.59Å; S75-I102 VanDerWaalsContact CA-O 3.27Å; S75-I102 WeakPolarHBondContact CA-O 3.45Å
76	A	91.7	Very high	85.3	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.008	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	156.2	171.3	0	0	0	0	0	109.6	Q9 G10 F11 L65 I102	Q9-A76 VanDerWaalsContact O-CA 3.26Å; Q9-A76 WeakPolarHBondContact O-CA 3.48Å; Q9-A76 WeakPolarHBondContact O-CB 3.18Å; G10-A76 VanDerWaalsContact C-CB 3.45Å; G10-A76 VanDerWaalsContact O-CB 3.27Å; G10-A76 WeakPolarHBondContact O-CB 3.39Å; F11-A76 HydrophobicContact CB-CB 4.4Å; L65-A76 HydrophobicContact CD2-CB 3.62Å; A76-I102 HydrophobicContact CB-CG2 3.85Å; A76-I102 PolarHBondContact N-O 3.15Å; A76-I102 PolarHBondContact O-N 3.35Å; A76-I102 VanDerWaalsContact O-O 3.1Å
77	F	93.2	Very high	85.2	Confident	36 Å²	36	61 Å²	61	16%	0.158	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	153.5	166.6	72.2	-95.5	0	0	0	111.2	I7 Q9 E79 R99 R100 V101	I7-F77 HydrophobicContact CG2-CE2 4.23Å; Q9-F77 HydrophobicContact CB-CD1 4.22Å; Q9-F77 HydrophobicContact CB-CE1 3.85Å; Q9-F77 HydrophobicContact CB-CZ 4.01Å; Q9-F77 HydrophobicContact CG-CE1 4.37Å; Q9-F77 PolarHBondContact N-O 3.25Å; Q9-F77 PolarHBondContact O-N 2.84Å; F77-E79 HydrophobicContact CD2-CB 4.45Å; F77-R99 HydrophobicContact CB-CG 4.32Å; F77-R99 HydrophobicContact CD2-CG 4.04Å; F77-R99 HydrophobicContact CG-CG 4.48Å; F77-R100 VanDerWaalsContact CA-O 3.32Å; F77-R100 WeakPolarHBondContact CA-O 3.21Å; F77-V101 HydrophobicContact CB-CB 4.32Å; F77-V101 HydrophobicContact CB-CG1 4.49Å; F77-V101 HydrophobicContact CB-CG2 3.85Å
78	V	94.3	Very high	85.3	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	129.5	170.9	-175.8	0	0	0	0	107.3	V6 I7 I8 F11 A44 F47 V48 R99 R100	V6-V78 HydrophobicContact CG1-CG1 4.2Å; I7-V78 WeakPolarHBondContact O-CA 3.35Å; I8-V78 HydrophobicContact CG1-CG1 4.28Å; I8-V78 HydrophobicContact CG2-CG2 4.41Å; F11-V78 HydrophobicContact CB-CG2 4.38Å; F11-V78 HydrophobicContact CD2-CG2 4.19Å; F11-V78 HydrophobicContact CG-CG2 4.19Å; A44-V78 HydrophobicContact CB-CG1 4.17Å; A44-V78 HydrophobicContact CB-CG2 4.05Å; F47-V78 HydrophobicContact CD1-CB 4.37Å; F47-V78 HydrophobicContact CD1-CG2 4.07Å; V48-V78 HydrophobicContact CG2-CB 3.59Å; V48-V78 HydrophobicContact CG2-CG1 3.55Å; V78-R99 CarbonylContact O-C 3.55Å; V78-R99 WeakPolarHBondContact O-CA 3.38Å; V78-R100 PolarHBondContact N-O 3.06Å; V78-R100 PolarHBondContact O-N 3.18Å
79	E	94.4	Very high	85.8	Confident	13 Å²	13	56.4 Å²	56.4	6%	0.061	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	128.2	176.7	178.5	168.3	-156.7	0	0	109.8	V6 I7 F77 I81 S97 L98 R99	V6-E79 WeakPolarHBondContact CA-O 3.39Å; I7-E79 HydrophobicContact CB-CB 4.28Å; I7-E79 PolarHBondContact N-O 3.12Å; I7-E79 PolarHBondContact O-N 3.25Å; F77-E79 HydrophobicContact CD2-CB 4.45Å; E79-I81 HydrophobicContact CG-CG1 4.41Å; E79-S97 WeakPolarHBondContact OE1-CB 3.47Å; E79-S97 PolarHBondContact OE1-OG 3.08Å; E79-L98 WeakPolarHBondContact CA-O 3.09Å; E79-R99 HydrophobicContact CB-CB 3.89Å; E79-R99 HydrophobicContact CB-CG 4.03Å; E79-R99 HydrophobicContact CG-CB 3.98Å; E79-R99 IonicContact OE1-NE 3.76Å; E79-R99 IonicContact OE1-NH2 2.77Å; E79-R99 IonicContact OE2-CZ 2.96Å; E79-R99 IonicContact OE2-NE 3.81Å; E79-R99 PolarHBondContact OE2-NE 3.12Å; E79-R99 IonicContact OE2-NH2 2.7Å; E79-R99 PolarHBondContact OE2-NH2 3.37Å
80	I	93.3	Very high	86.3	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	132.3	175.7	-55.7	179	0	0	0	107.6	I3 V6 I45 V48 L49 F82 L98	I3-I80 HydrophobicContact CG1-CG2 4.23Å; I3-I80 HydrophobicContact CG2-CG2 3.95Å; V6-I80 HydrophobicContact CG1-CG1 4.4Å; V6-I80 HydrophobicContact CG2-CG1 4.38Å; V6-I80 HydrophobicContact CG2-CG2 4.46Å; I45-I80 HydrophobicContact CG2-CD1 4.1Å; V48-I80 HydrophobicContact CB-CD1 3.67Å; V48-I80 HydrophobicContact CB-CG1 4.22Å; V48-I80 HydrophobicContact CG1-CD1 3.97Å; V48-I80 HydrophobicContact CG1-CG1 4.28Å; V48-I80 HydrophobicContact CG2-CD1 4.09Å; V48-I80 HydrophobicContact CG2-CG1 4.2Å; L49-I80 HydrophobicContact CD1-CD1 4.03Å; L49-I80 HydrophobicContact CG-CD1 4.01Å; I80-F82 HydrophobicContact CB-CE2 4.04Å; I80-F82 HydrophobicContact CB-CZ 4.01Å; I80-F82 HydrophobicContact CD1-CZ 4.5Å; I80-F82 HydrophobicContact CG2-CD1 4.24Å; I80-F82 HydrophobicContact CG2-CD2 4.29Å; I80-F82 HydrophobicContact CG2-CE1 3.7Å; I80-F82 HydrophobicContact CG2-CE2 3.75Å; I80-F82 HydrophobicContact CG2-CZ 3.42Å; I80-F82 VanDerWaalsContact CG2-CZ 3.42Å; I80-L98 PolarHBondContact N-O 3.38Å; I80-L98 PolarHBondContact O-N 3.43Å
81	I	92.9	Very high	87	Confident	16 Å²	16	56 Å²	56	8%	0.082	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	117.3	176.3	-62.4	169.2	0	0	0	107.4	K4 Q5 I7 E79 E95 V96	K4-I81 WeakPolarHBondContact CB-O 3.5Å; K4-I81 PolarHBondContact N-O 3.39Å; Q5-I81 HydrophobicContact CG-CB 3.68Å; Q5-I81 HydrophobicContact CG-CD1 3.79Å; Q5-I81 HydrophobicContact CG-CG1 4.15Å; Q5-I81 HydrophobicContact CG-CG2 4.3Å; Q5-I81 PolarHBondContact N-O 3.39Å; Q5-I81 PolarHBondContact O-N 2.97Å; I7-I81 HydrophobicContact CD1-CD1 4.22Å; E79-I81 HydrophobicContact CG-CG1 4.41Å; I81-E95 HydrophobicContact CG2-CB 4.26Å; I81-V96 WeakPolarHBondContact CA-O 3.23Å
82	F	91.3	Very high	87.2	Confident	4 Å²	4	57.7 Å²	57.7	2%	0.018	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	138.9	177.2	-58.8	-80.1	0	0	0	109.6	M1 Y2 I3 L49 I80 E95 V96 L98 F1146	M1-F82 HydrophobicContact CG-CB 4.38Å; Y2-F82 WeakPolarHBondContact O-CA 3.26Å; I3-F82 HydrophobicContact CD1-CE1 4.45Å; I3-F82 HydrophobicContact CG1-CD1 4.04Å; I3-F82 HydrophobicContact CG1-CE1 3.72Å; L49-F82 HydrophobicContact CD2-CE1 4.42Å; L49-F82 HydrophobicContact CD2-CZ 3.65Å; I80-F82 HydrophobicContact CB-CE2 4.04Å; I80-F82 HydrophobicContact CB-CZ 4.01Å; I80-F82 HydrophobicContact CD1-CZ 4.5Å; I80-F82 HydrophobicContact CG2-CD1 4.24Å; I80-F82 HydrophobicContact CG2-CD2 4.29Å; I80-F82 HydrophobicContact CG2-CE1 3.7Å; I80-F82 HydrophobicContact CG2-CE2 3.75Å; I80-F82 HydrophobicContact CG2-CZ 3.42Å; I80-F82 VanDerWaalsContact CG2-CZ 3.42Å; F82-E95 WeakPolarHBondContact O-CA 3.49Å; F82-V96 PolarHBondContact N-O 3.21Å; F82-V96 PolarHBondContact O-N 3.06Å; F82-L98 HydrophobicContact CE2-CB 4Å; F82-L98 HydrophobicContact CE2-CD2 4.36Å; F82-F1146 AromaticContact CE1-CE1 3.95Å; F82-F1146 HydrophobicContact CE1-CE1 3.95Å; F82-F1146 HydrophobicContact CE1-CZ 4.49Å
83	D	90.4	Very high	87.5	Confident	20 Å²	20	51.3 Å²	51.3	11%	0.107	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	119.4	161.6	-170.3	-44.8	0	0	0	107.8	M1 Y2 K4 S85 E94	M1-D83 CarbonylContact C-O 3.58Å; M1-D83 WeakPolarHBondContact CA-O 3.17Å; M1-D83 WeakPolarHBondContact CG-O 3.33Å; Y2-D83 HydrophobicContact CD1-CB 3.91Å; Y2-D83 HydrophobicContact CE1-CB 3.58Å; Y2-D83 PolarHBondContact N-O 3.34Å; Y2-D83 VanDerWaalsContact N-O 3.14Å; Y2-D83 PolarHBondContact O-N 3.04Å; K4-D83 HydrophobicContact CB-CB 4.49Å; D83-S85 WeakPolarHBondContact OD1-CB 3.21Å; D83-S85 PolarHBondContact OD1-N 3.5Å; D83-S85 PolarHBondContact OD1-OG 3.42Å; D83-E94 CarbonylContact C-O 3.56Å; D83-E94 WeakPolarHBondContact CA-O 3.26Å
84	N	88.8	Confident	87.6	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.295	C	S	.	.			trans	-110.7	30.3	-176	-170.2	45	0	0	0	112.3	D86 N87 R88 L89 I91 E94 V96	N84-D86 PolarHBondContact O-N 2.64Å; N84-N87 PolarHBondContact O-N 3Å; N84-R88 PolarHBondContact OD1-N 2.81Å; N84-L89 PolarHBondContact ND2-O 3.1Å; N84-L89 PolarHBondContact OD1-N 2.73Å; N84-I91 PolarHBondContact ND2-O 3.13Å; N84-E94 PolarHBondContact N-O 3.4Å; N84-V96 HydrophobicContact CB-CG2 4.01Å
85	S	85.1	Confident	87.8	Confident	76 Å²	76	52.8 Å²	52.8	53%	0.531	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-22.4	177.8	-60.6	0	0	0	0	114.8	D83 E94	D83-S85 WeakPolarHBondContact OD1-CB 3.21Å; D83-S85 PolarHBondContact OD1-N 3.5Å; D83-S85 PolarHBondContact OD1-OG 3.42Å; S85-E94 WeakPolarHBondContact CA-OE2 3.46Å; S85-E94 PolarHBondContact OG-OE2 2.7Å
86	D	81.6	Confident	87.9	Confident	85 Å²	85	49.5 Å²	49.5	46%	0.455	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	4	177.1	73.7	-17.8	0	0	0	114	M1 N84 R88	M1-D86 VanDerWaalsContact CB-OD1 3.29Å; M1-D86 WeakPolarHBondContact CB-OD1 3.39Å; M1-D86 PolarHBondContact N-OD1 3.24Å; M1-D86 PolarHBondContact N-OD2 3.44Å; N84-D86 PolarHBondContact O-N 2.64Å; D86-R88 PolarHBondContact O-N 2.81Å; D86-R88 VanDerWaalsContact O-N 3.1Å; D86-R88 VanDerWaalsContact OD1-CB 3.3Å; D86-R88 WeakPolarHBondContact OD1-CB 3.39Å; D86-R88 PolarHBondContact OD1-N 2.94Å
87	N	83.7	Confident	88	Confident	100 Å²	100	50.2 Å²	50.2	54%	0.535	26%	0.261	S	S	.	.			trans	49.1	33.6	-177.8	-82.2	-42.2	0	0	0	114.1	N84 L89	N84-N87 PolarHBondContact O-N 3Å; N87-L89 VanDerWaalsContact C-N 3.33Å; N87-L89 CarbonylContact C-O 3.49Å
88	R	82.2	Confident	88	Confident	79 Å²	79	48.8 Å²	48.8	30%	0.298	26%	0.255	S	S	.	.			trans	-70.7	-32	176.9	-169.4	166.4	179.1	160.9	1.5	111.7	M1 N84 D86 A128 P1143	M1-R88 HydrophobicContact CB-CB 4.35Å; N84-R88 PolarHBondContact OD1-N 2.81Å; D86-R88 PolarHBondContact O-N 2.81Å; D86-R88 VanDerWaalsContact O-N 3.1Å; D86-R88 VanDerWaalsContact OD1-CB 3.3Å; D86-R88 WeakPolarHBondContact OD1-CB 3.39Å; D86-R88 PolarHBondContact OD1-N 2.94Å; R88-A128 HydrophobicContact CG-CB 4.45Å; R88-A128 PolarHBondContact NE-O 3.43Å; R88-P1143 PolarHBondContact NH1-O 2.86Å; R88-P1143 PolarHBondContact NH2-O 2.94Å
89	L	82.7	Confident	88	Confident	6 Å²	6	52 Å²	52	3%	0.031	27%	0.267	C	S	.	.	S	Bend	trans	-83.4	132	162.1	-76.8	151.6	0	0	0	108.8	M1 N84 N87 I91 V96 L124 A128	M1-L89 HydrophobicContact SD-CD1 3.42Å; M1-L89 WeakPolarHBondContact SD-CD1 3.14Å; M1-L89 HydrophobicContact SD-CG 3.86Å; N84-L89 PolarHBondContact ND2-O 3.1Å; N84-L89 PolarHBondContact OD1-N 2.73Å; N87-L89 VanDerWaalsContact C-N 3.33Å; N87-L89 CarbonylContact C-O 3.49Å; L89-I91 PolarHBondContact O-N 3.3Å; L89-V96 HydrophobicContact CD1-CB 4.47Å; L89-V96 HydrophobicContact CD1-CG1 4.45Å; L89-L124 HydrophobicContact CD2-CD1 3.83Å; L89-L124 HydrophobicContact CD2-CD2 4Å; L89-L124 HydrophobicContact CD2-CG 3.58Å; L89-A128 HydrophobicContact CD2-CB 3.97Å; L89-A128 HydrophobicContact CG-CB 4.05Å
90	P	81.9	Confident	87.9	Confident	97 Å²	97	51.4 Å²	51.4	63%	0.63	26%	0.264	S	S	*	.	S	Bend	trans	-75.4	49.7	179	33.4	-38.4	0	0	0	112.2	L124	P90-L124 HydrophobicContact CG-CD1 3.68Å
91	I	83.9	Confident	87.8	Confident	32 Å²	32	52.9 Å²	52.9	16%	0.164	27%	0.273	C	S	.	.	S	Bend	trans	-129.9	120.8	178.3	-59.8	172.5	0	0	0	106.9	N84 L89 K93 V96 L111 L124	N84-I91 PolarHBondContact ND2-O 3.13Å; L89-I91 PolarHBondContact O-N 3.3Å; I91-K93 HydrophobicContact CG2-CB 4.28Å; I91-K93 HydrophobicContact CG2-CG 4.32Å; I91-K93 PolarHBondContact O-N 2.89Å; I91-V96 HydrophobicContact CB-CG2 4.41Å; I91-V96 HydrophobicContact CD1-CG1 4.18Å; I91-V96 HydrophobicContact CG2-CG2 4.37Å; I91-L111 HydrophobicContact CD1-CD1 4.11Å; I91-L111 HydrophobicContact CD1-CD2 3.75Å; I91-L111 HydrophobicContact CD1-CG 4.29Å; I91-L124 HydrophobicContact CD1-CD1 4.25Å; I91-L124 HydrophobicContact CD1-CD2 3.87Å; I91-L124 HydrophobicContact CG1-CD1 4.42Å
92	D	82	Confident	87.7	Confident	157 Å²	157	52.3 Å²	52.3	84%	0.84	27%	0.27	S	S	*	.	S	Bend	trans	-76.3	67.6	-177.4	-165.4	14.5	0	0	0	111.2
93	K	85.1	Confident	87.6	Confident	102 Å²	102	52.4 Å²	52.4	44%	0.443	27%	0.273	S	S	.	.			trans	-149.7	136.7	176.1	-74.5	-170.3	-178.8	176.1	0	110.7	I91 V96 D112	I91-K93 HydrophobicContact CG2-CB 4.28Å; I91-K93 HydrophobicContact CG2-CG 4.32Å; I91-K93 PolarHBondContact O-N 2.89Å; K93-V96 HydrophobicContact CB-CG2 4.36Å; K93-D112 VanDerWaalsContact CD-OD2 3.26Å; K93-D112 WeakPolarHBondContact CD-OD2 3.4Å; K93-D112 WeakPolarHBondContact CE-OD2 3.44Å; K93-D112 VanDerWaalsContact NZ-CG 3.31Å; K93-D112 IonicContact NZ-OD2 2.66Å; K93-D112 PolarHBondContact NZ-OD2 2.97Å
94	E	85.7	Confident	87.2	Confident	125 Å²	125	54.3 Å²	54.3	58%	0.584	29%	0.291	S	S	*	.	S	Bend	trans	-65.6	-37.7	175.2	-66.4	-66.9	170.3	0	0	112.7	D83 N84 S85	D83-E94 CarbonylContact C-O 3.56Å; D83-E94 WeakPolarHBondContact CA-O 3.26Å; N84-E94 PolarHBondContact N-O 3.4Å; S85-E94 WeakPolarHBondContact CA-OE2 3.46Å; S85-E94 PolarHBondContact OG-OE2 2.7Å
95	E	90.6	Very high	86.9	Confident	89 Å²	89	64 Å²	64	42%	0.416	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	122.6	174.7	-68.3	-175.1	-173.2	0	0	110.6	K4 I81 F82	K4-E95 WeakPolarHBondContact CE-OE1 3.27Å; K4-E95 IonicContact NZ-OE1 2.6Å; K4-E95 PolarHBondContact NZ-OE1 3.49Å; I81-E95 HydrophobicContact CG2-CB 4.26Å; F82-E95 WeakPolarHBondContact O-CA 3.49Å
96	V	92.1	Very high	86.9	Confident	2 Å²	2	67 Å²	67	1%	0.012	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	122.9	179	-179.9	0	0	0	0	108.9	I81 F82 N84 L89 I91 K93 L111	I81-V96 WeakPolarHBondContact CA-O 3.23Å; F82-V96 PolarHBondContact N-O 3.21Å; F82-V96 PolarHBondContact O-N 3.06Å; N84-V96 HydrophobicContact CB-CG2 4.01Å; L89-V96 HydrophobicContact CD1-CB 4.47Å; L89-V96 HydrophobicContact CD1-CG1 4.45Å; I91-V96 HydrophobicContact CB-CG2 4.41Å; I91-V96 HydrophobicContact CD1-CG1 4.18Å; I91-V96 HydrophobicContact CG2-CG2 4.37Å; K93-V96 HydrophobicContact CB-CG2 4.36Å; V96-L111 HydrophobicContact CG1-CD1 3.71Å
97	S	92.9	Very high	87.2	Confident	16 Å²	16	65.4 Å²	65.4	11%	0.112	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	123	177.6	101.5	0	0	0	0	111.7	E79 L111 D112	E79-S97 WeakPolarHBondContact OE1-CB 3.47Å; E79-S97 PolarHBondContact OE1-OG 3.08Å; S97-L111 WeakPolarHBondContact O-CA 3.04Å; S97-D112 PolarHBondContact N-OD1 3.44Å; S97-D112 PolarHBondContact O-N 2.95Å
98	L	92.8	Very high	87.5	Confident	5 Å²	5	63.8 Å²	63.8	3%	0.026	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	113.2	175.2	-177.9	63.1	0	0	0	109.2	V48 E79 I80 F82 L111 V121	V48-L98 HydrophobicContact CG1-CB 4.43Å; V48-L98 HydrophobicContact CG1-CD2 3.7Å; V48-L98 HydrophobicContact CG1-CG 3.74Å; E79-L98 WeakPolarHBondContact CA-O 3.09Å; I80-L98 PolarHBondContact N-O 3.38Å; I80-L98 PolarHBondContact O-N 3.43Å; F82-L98 HydrophobicContact CE2-CB 4Å; F82-L98 HydrophobicContact CE2-CD2 4.36Å; L98-L111 HydrophobicContact CD1-CD1 4.38Å; L98-V121 HydrophobicContact CD1-CG1 4.02Å; L98-V121 HydrophobicContact CD1-CG2 4.44Å; L98-V121 HydrophobicContact CD2-CG1 4.29Å
99	R	93.7	Very high	88	Confident	67 Å²	67	60.3 Å²	60.3	25%	0.253	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	131.3	-179.2	178.5	-170.7	-62.7	178.4	-2.3	110.6	F77 V78 E79 V101 Y109 F110	F77-R99 HydrophobicContact CB-CG 4.32Å; F77-R99 HydrophobicContact CD2-CG 4.04Å; F77-R99 HydrophobicContact CG-CG 4.48Å; V78-R99 CarbonylContact O-C 3.55Å; V78-R99 WeakPolarHBondContact O-CA 3.38Å; E79-R99 HydrophobicContact CB-CB 3.89Å; E79-R99 HydrophobicContact CB-CG 4.03Å; E79-R99 HydrophobicContact CG-CB 3.98Å; E79-R99 IonicContact OE1-NE 3.76Å; E79-R99 IonicContact OE1-NH2 2.77Å; E79-R99 IonicContact OE2-CZ 2.96Å; E79-R99 IonicContact OE2-NE 3.81Å; E79-R99 PolarHBondContact OE2-NE 3.12Å; E79-R99 IonicContact OE2-NH2 2.7Å; E79-R99 PolarHBondContact OE2-NH2 3.37Å; R99-V101 HydrophobicContact CG-CG2 4.14Å; R99-Y109 CarbonylContact O-C 3.57Å; R99-F110 HydrophobicContact CB-CB 4.2Å; R99-F110 PolarHBondContact N-O 3.27Å; R99-F110 PolarHBondContact O-N 2.69Å
100	R	92.8	Very high	88.5	Confident	1 Å²	1	62 Å²	62	0%	0.004	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	122.6	169.7	-169.4	178.7	178	179.2	1.7	109.6	F47 V48 F77 V78 D107 Q108 Y109	F47-R100 HydrophobicContact CE1-CB 3.89Å; F47-R100 VanDerWaalsContact CE1-CD 3.49Å; F47-R100 HydrophobicContact CE1-CG 3.68Å; F47-R100 HydrophobicContact CZ-CB 4.47Å; F47-R100 HydrophobicContact CZ-CG 3.75Å; F47-R100 WeakPolarHBondContact O-CD 3.39Å; F47-R100 PolarHBondContact O-NH1 3.29Å; V48-R100 HydrophobicContact CG2-CB 4.2Å; F77-R100 VanDerWaalsContact CA-O 3.32Å; F77-R100 WeakPolarHBondContact CA-O 3.21Å; V78-R100 PolarHBondContact N-O 3.06Å; V78-R100 PolarHBondContact O-N 3.18Å; R100-D107 IonicContact CZ-OD1 3.11Å; R100-D107 IonicContact CZ-OD2 3.91Å; R100-D107 IonicContact NE-OD1 2.85Å; R100-D107 PolarHBondContact NE-OD1 2.98Å; R100-D107 IonicContact NE-OD2 2.64Å; R100-D107 IonicContact NH2-OD1 2.69Å; R100-D107 PolarHBondContact NH2-OD1 3.31Å; R100-D107 IonicContact NH2-OD2 2.58Å; R100-D107 PolarHBondContact NH2-OD2 3.12Å; R100-Q108 WeakPolarHBondContact CA-O 3.22Å; R100-Y109 HydrophobicContact CB-CD1 4.16Å; R100-Y109 HydrophobicContact CB-CE1 4.18Å; R100-Y109 HydrophobicContact CG-CD1 4.07Å; R100-Y109 HydrophobicContact CG-CE1 3.85Å; R100-Y109 PolarHBondContact NE-OH 3.18Å; R100-Y109 PolarHBondContact NH1-OH 3.46Å; R100-Y109 VanDerWaalsContact NH1-OH 3.11Å
101	V	92.3	Very high	89	Confident	32 Å²	32	58.9 Å²	58.9	19%	0.194	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	127.3	179.4	-177.8	0	0	0	0	109	F77 R99 D107 Q108 F110	F77-V101 HydrophobicContact CB-CB 4.32Å; F77-V101 HydrophobicContact CB-CG1 4.49Å; F77-V101 HydrophobicContact CB-CG2 3.85Å; R99-V101 HydrophobicContact CG-CG2 4.14Å; V101-D107 WeakPolarHBondContact O-CA 3.45Å; V101-Q108 PolarHBondContact N-O 3.16Å; V101-Q108 PolarHBondContact O-N 3.31Å; V101-F110 HydrophobicContact CB-CE2 4.1Å; V101-F110 HydrophobicContact CG2-CD2 3.75Å; V101-F110 HydrophobicContact CG2-CE2 3.58Å
102	I	90.4	Very high	89.2	Confident	3 Å²	3	59 Å²	59	2%	0.015	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	137.1	-179.4	-169.7	65.7	0	0	0	111.1	F47 L65 S75 A76 K106 D107	F47-I102 HydrophobicContact CE1-CB 4.38Å; F47-I102 HydrophobicContact CE1-CG2 4.21Å; F47-I102 HydrophobicContact CZ-CB 3.75Å; F47-I102 HydrophobicContact CZ-CG1 4.23Å; F47-I102 HydrophobicContact CZ-CG2 3.95Å; L65-I102 HydrophobicContact CD2-CG2 4.43Å; S75-I102 CarbonylContact C-O 3.59Å; S75-I102 VanDerWaalsContact CA-O 3.27Å; S75-I102 WeakPolarHBondContact CA-O 3.45Å; A76-I102 HydrophobicContact CB-CG2 3.85Å; A76-I102 PolarHBondContact N-O 3.15Å; A76-I102 PolarHBondContact O-N 3.35Å; A76-I102 VanDerWaalsContact O-O 3.1Å; I102-K106 CarbonylContact C-O 3.53Å; I102-K106 WeakPolarHBondContact CA-O 3.07Å; I102-D107 HydrophobicContact CD1-CB 3.84Å
103	G	88.2	Confident	89.3	Confident	7 Å²	7	59.4 Å²	59.4	7%	0.072	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	179	167.7	0	0	0	0	0	109.7	K105 K106	G103-K105 PolarHBondContact O-N 3.44Å; G103-K106 PolarHBondContact N-O 3.39Å; G103-K106 PolarHBondContact O-N 3.21Å
104	A	82.3	Confident	89.5	Confident	59 Å²	59	62.2 Å²	62.2	49%	0.488	30%	0.296	S	S	.	.	S	Bend	trans	-54.4	-32.5	-175.3	0	0	0	0	0	114
105	K	82.9	Confident	89.7	Confident	203 Å²	203	62 Å²	62	88%	0.883	30%	0.297	S	S	*	.	S	Bend	trans	-122	-2.9	-178.7	-62.1	-175	-179.6	-179.9	0	114.7	G103	G103-K105 PolarHBondContact O-N 3.44Å
106	K	84.7	Confident	89.7	Confident	139 Å²	139	59.5 Å²	59.5	60%	0.604	29%	0.288	S	S	*	.			trans	-127.4	131.7	-171.4	-66.1	-177.6	179.5	179	0	110.2	I102 G103	I102-K106 CarbonylContact C-O 3.53Å; I102-K106 WeakPolarHBondContact CA-O 3.07Å; G103-K106 PolarHBondContact N-O 3.39Å; G103-K106 PolarHBondContact O-N 3.21Å
107	D	87.8	Confident	89.5	Confident	52 Å²	52	63.1 Å²	63.1	28%	0.278	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	109.1	171.7	-175.7	11.3	0	0	0	107.3	R100 V101 I102	R100-D107 IonicContact CZ-OD1 3.11Å; R100-D107 IonicContact CZ-OD2 3.91Å; R100-D107 IonicContact NE-OD1 2.85Å; R100-D107 PolarHBondContact NE-OD1 2.98Å; R100-D107 IonicContact NE-OD2 2.64Å; R100-D107 IonicContact NH2-OD1 2.69Å; R100-D107 PolarHBondContact NH2-OD1 3.31Å; R100-D107 IonicContact NH2-OD2 2.58Å; R100-D107 PolarHBondContact NH2-OD2 3.12Å; V101-D107 WeakPolarHBondContact O-CA 3.45Å; I102-D107 HydrophobicContact CD1-CB 3.84Å
108	Q	90.3	Very high	89	Confident	66 Å²	66	65.6 Å²	65.6	31%	0.308	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	137	-169.4	-67.7	177.8	-15.9	0	0	111	R100 V101 F110 M115	R100-Q108 WeakPolarHBondContact CA-O 3.22Å; V101-Q108 PolarHBondContact N-O 3.16Å; V101-Q108 PolarHBondContact O-N 3.31Å; Q108-F110 HydrophobicContact CB-CE2 3.77Å; Q108-F110 HydrophobicContact CB-CZ 4.32Å; Q108-M115 HydrophobicContact CG-CE 4.42Å
109	Y	92.6	Very high	88.5	Confident	7 Å²	7	70.4 Å²	70.4	3%	0.027	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	138	172.8	-67.4	-92.7	0	0	0	110.5	R99 R100 V116 K118 V121	R99-Y109 CarbonylContact O-C 3.57Å; R100-Y109 HydrophobicContact CB-CD1 4.16Å; R100-Y109 HydrophobicContact CB-CE1 4.18Å; R100-Y109 HydrophobicContact CG-CD1 4.07Å; R100-Y109 HydrophobicContact CG-CE1 3.85Å; R100-Y109 PolarHBondContact NE-OH 3.18Å; R100-Y109 PolarHBondContact NH1-OH 3.46Å; R100-Y109 VanDerWaalsContact NH1-OH 3.11Å; Y109-V116 PolarHBondContact O-N 3.47Å; Y109-V116 VanDerWaalsContact O-N 3.09Å; Y109-K118 HydrophobicContact CD2-CB 4.4Å; Y109-K118 HydrophobicContact CE2-CB 4.26Å; Y109-K118 HydrophobicContact CE2-CG 4.03Å; Y109-V121 HydrophobicContact CD1-CG1 4.19Å; Y109-V121 HydrophobicContact CD1-CG2 4.42Å; Y109-V121 HydrophobicContact CE1-CG1 4.5Å; Y109-V121 HydrophobicContact CG-CG2 4.22Å
110	F	93.1	Very high	88.2	Confident	40 Å²	40	71.5 Å²	71.5	18%	0.175	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	123.4	173.9	-63.9	-93.8	0	0	0	108.8	R99 V101 Q108 K114 M115	R99-F110 HydrophobicContact CB-CB 4.2Å; R99-F110 PolarHBondContact N-O 3.27Å; R99-F110 PolarHBondContact O-N 2.69Å; V101-F110 HydrophobicContact CB-CE2 4.1Å; V101-F110 HydrophobicContact CG2-CD2 3.75Å; V101-F110 HydrophobicContact CG2-CE2 3.58Å; Q108-F110 HydrophobicContact CB-CE2 3.77Å; Q108-F110 HydrophobicContact CB-CZ 4.32Å; F110-K114 CarbonylContact C-O 3.58Å; F110-K114 WeakPolarHBondContact CA-O 3.43Å; F110-M115 HydrophobicContact CD1-CB 4.32Å; F110-M115 HydrophobicContact CE1-CB 4.09Å; F110-M115 HydrophobicContact CZ-CE 4.33Å
111	L	91.9	Very high	87.8	Confident	32 Å²	32	71.5 Å²	71.5	17%	0.168	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	116.8	172.5	179.8	68	0	0	0	107.3	I91 V96 S97 L98 K113 K114 V116 L124	I91-L111 HydrophobicContact CD1-CD1 4.11Å; I91-L111 HydrophobicContact CD1-CD2 3.75Å; I91-L111 HydrophobicContact CD1-CG 4.29Å; V96-L111 HydrophobicContact CG1-CD1 3.71Å; S97-L111 WeakPolarHBondContact O-CA 3.04Å; L98-L111 HydrophobicContact CD1-CD1 4.38Å; L111-K113 PolarHBondContact O-N 3.11Å; L111-K114 PolarHBondContact N-O 3.35Å; L111-K114 WeakPolarHBondContact O-CB 3.47Å; L111-K114 PolarHBondContact O-N 2.89Å; L111-V116 HydrophobicContact CB-CG1 4.01Å; L111-V116 HydrophobicContact CB-CG2 3.88Å; L111-V116 HydrophobicContact CD2-CG1 4.5Å; L111-L124 HydrophobicContact CD1-CD2 4.25Å; L111-L124 HydrophobicContact CD2-CD2 3.79Å
112	D	88.1	Confident	87.2	Confident	36 Å²	36	70.5 Å²	70.5	19%	0.193	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.1	47.1	-173	-67.3	-26.1	0	0	0	113.1	K93 S97 K114	K93-D112 VanDerWaalsContact CD-OD2 3.26Å; K93-D112 WeakPolarHBondContact CD-OD2 3.4Å; K93-D112 WeakPolarHBondContact CE-OD2 3.44Å; K93-D112 VanDerWaalsContact NZ-CG 3.31Å; K93-D112 IonicContact NZ-OD2 2.66Å; K93-D112 PolarHBondContact NZ-OD2 2.97Å; S97-D112 PolarHBondContact N-OD1 3.44Å; S97-D112 PolarHBondContact O-N 2.95Å; D112-K114 PolarHBondContact O-N 3.39Å; D112-K114 VanDerWaalsContact O-N 3.14Å
113	K	85.9	Confident	86.8	Confident	165 Å²	165	74.9 Å²	74.9	72%	0.717	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	1.7	-177.4	-49.5	173.7	-178.8	174	0	115.4	L111	L111-K113 PolarHBondContact O-N 3.11Å
114	K	89.3	Confident	86.6	Confident	160 Å²	160	75.9 Å²	75.9	70%	0.696	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.8	132.6	171.5	-66.6	-177.1	-179.8	177.2	0	110.6	F110 L111 D112 V116	F110-K114 CarbonylContact C-O 3.58Å; F110-K114 WeakPolarHBondContact CA-O 3.43Å; L111-K114 PolarHBondContact N-O 3.35Å; L111-K114 WeakPolarHBondContact O-CB 3.47Å; L111-K114 PolarHBondContact O-N 2.89Å; D112-K114 PolarHBondContact O-N 3.39Å; D112-K114 VanDerWaalsContact O-N 3.14Å; K114-V116 PolarHBondContact O-N 2.8Å
115	M	89.1	Confident	86.5	Confident	122 Å²	122	73.5 Å²	73.5	60%	0.601	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.6	128	173.5	-175.1	-174.3	-76.9	0	0	109.3	Q108 F110	Q108-M115 HydrophobicContact CG-CE 4.42Å; F110-M115 HydrophobicContact CD1-CB 4.32Å; F110-M115 HydrophobicContact CE1-CB 4.09Å; F110-M115 HydrophobicContact CZ-CE 4.33Å
116	V	90.9	Very high	86.2	Confident	36 Å²	36	66.2 Å²	66.2	22%	0.218	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	152.5	179.6	-72.5	0	0	0	0	109.8	Y109 L111 K114 V121	Y109-V116 PolarHBondContact O-N 3.47Å; Y109-V116 VanDerWaalsContact O-N 3.09Å; L111-V116 HydrophobicContact CB-CG1 4.01Å; L111-V116 HydrophobicContact CB-CG2 3.88Å; L111-V116 HydrophobicContact CD2-CG1 4.5Å; K114-V116 PolarHBondContact O-N 2.8Å; V116-V121 HydrophobicContact CB-CG2 4.17Å; V116-V121 HydrophobicContact CG2-CG2 3.31Å
117	T	87.3	Confident	85.8	Confident	77 Å²	77	63.1 Å²	63.1	47%	0.472	32%	0.32	S	S	.	.			trans	-74.2	155.1	177	79.6	0	0	0	0	110.2	N119 D120 V121	T117-N119 PolarHBondContact O-N 2.92Å; T117-D120 WeakPolarHBondContact CB-OD2 3.07Å; T117-D120 PolarHBondContact O-N 3.24Å; T117-D120 PolarHBondContact OG1-N 3.43Å; T117-D120 PolarHBondContact OG1-OD2 3.47Å; T117-V121 PolarHBondContact O-N 3.12Å
118	K	82.3	Confident	85.1	Confident	69 Å²	69	60.8 Å²	60.8	30%	0.3	31%	0.307	S	S	.	.	H	α-helix	trans	-56.3	-42.2	176.6	-177.3	-171.3	175.5	-167.6	0	111.5	D51 S54 Y109 D120 V121 M122	D51-K118 WeakPolarHBondContact OD1-CE 3.16Å; D51-K118 IonicContact OD1-NZ 2.65Å; D51-K118 PolarHBondContact OD1-NZ 3.14Å; D51-K118 IonicContact OD2-NZ 3.17Å; D51-K118 PolarHBondContact OD2-NZ 3.44Å; S54-K118 VanDerWaalsContact CB-NZ 3.34Å; S54-K118 PolarHBondContact OG-NZ 3.27Å; Y109-K118 HydrophobicContact CD2-CB 4.4Å; Y109-K118 HydrophobicContact CE2-CB 4.26Å; Y109-K118 HydrophobicContact CE2-CG 4.03Å; K118-D120 VanDerWaalsContact C-N 3.32Å; K118-D120 PolarHBondContact O-N 2.9Å; K118-V121 PolarHBondContact O-N 2.91Å; K118-M122 HydrophobicContact CG-CE 4.37Å; K118-M122 HydrophobicContact CG-CG 4.31Å; K118-M122 VanDerWaalsContact O-CG 3.24Å; K118-M122 WeakPolarHBondContact O-CG 3.11Å; K118-M122 PolarHBondContact O-N 3.17Å
119	N	83.6	Confident	84.2	Confident	106 Å²	106	59 Å²	59	57%	0.567	31%	0.306	S	S	*	.	H	α-helix	trans	-64.3	-39.7	-177.1	-68.7	-9.3	0	0	0	111.3	T117 M122 N123	T117-N119 PolarHBondContact O-N 2.92Å; N119-M122 PolarHBondContact O-N 2.77Å; N119-N123 WeakPolarHBondContact O-CB 3.19Å; N119-N123 PolarHBondContact O-N 3.1Å; N119-N123 PolarHBondContact O-ND2 3.47Å
120	D	85.5	Confident	83.4	Confident	89 Å²	89	59 Å²	59	48%	0.476	31%	0.307	S	S	.	.	H	α-helix	trans	-65.7	-41.9	178.9	-56.2	-34.5	0	0	0	111.5	T117 K118 N123 L124	T117-D120 WeakPolarHBondContact CB-OD2 3.07Å; T117-D120 PolarHBondContact O-N 3.24Å; T117-D120 PolarHBondContact OG1-N 3.43Å; T117-D120 PolarHBondContact OG1-OD2 3.47Å; K118-D120 VanDerWaalsContact C-N 3.32Å; K118-D120 PolarHBondContact O-N 2.9Å; D120-N123 PolarHBondContact O-N 2.89Å; D120-L124 VanDerWaalsContact O-CB 3.22Å; D120-L124 WeakPolarHBondContact O-CB 3.22Å; D120-L124 PolarHBondContact O-N 2.99Å
121	V	84.7	Confident	82.2	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.006	31%	0.307	C	S	.	.	H	α-helix	trans	-64	-42.5	175.4	177.2	0	0	0	0	111.2	L98 Y109 V116 T117 K118 L124 L125	L98-V121 HydrophobicContact CD1-CG1 4.02Å; L98-V121 HydrophobicContact CD1-CG2 4.44Å; L98-V121 HydrophobicContact CD2-CG1 4.29Å; Y109-V121 HydrophobicContact CD1-CG1 4.19Å; Y109-V121 HydrophobicContact CD1-CG2 4.42Å; Y109-V121 HydrophobicContact CE1-CG1 4.5Å; Y109-V121 HydrophobicContact CG-CG2 4.22Å; V116-V121 HydrophobicContact CB-CG2 4.17Å; V116-V121 HydrophobicContact CG2-CG2 3.31Å; T117-V121 PolarHBondContact O-N 3.12Å; K118-V121 PolarHBondContact O-N 2.91Å; V121-L124 WeakPolarHBondContact O-CB 3.03Å; V121-L124 PolarHBondContact O-N 3.28Å; V121-L125 HydrophobicContact CG1-CD1 4.01Å; V121-L125 HydrophobicContact CG1-CG 4.37Å; V121-L125 WeakPolarHBondContact O-CB 3.49Å; V121-L125 VanDerWaalsContact O-CG 3.3Å; V121-L125 WeakPolarHBondContact O-CG 3.23Å; V121-L125 PolarHBondContact O-N 3.06Å
122	M	81.2	Confident	80.8	Confident	12 Å²	12	61.7 Å²	61.7	6%	0.059	32%	0.317	C	S	.	.	H	α-helix	trans	-66.4	-42.9	179.4	-67.7	-64.9	172.7	0	0	111.8	D51 K118 N119 L124 L125 E126	D51-M122 HydrophobicContact CB-CE 3.85Å; D51-M122 HydrophobicContact CB-SD 4.44Å; K118-M122 HydrophobicContact CG-CE 4.37Å; K118-M122 HydrophobicContact CG-CG 4.31Å; K118-M122 VanDerWaalsContact O-CG 3.24Å; K118-M122 WeakPolarHBondContact O-CG 3.11Å; K118-M122 PolarHBondContact O-N 3.17Å; N119-M122 PolarHBondContact O-N 2.77Å; M122-L124 VanDerWaalsContact C-N 3.31Å; M122-L124 PolarHBondContact O-N 3.15Å; M122-L125 PolarHBondContact O-N 3.34Å; M122-E126 PolarHBondContact O-N 3.1Å
123	N	81.6	Confident	79.4	Confident	94 Å²	94	63.2 Å²	63.2	50%	0.503	33%	0.331	S	S	.	.	H	α-helix	trans	-63.3	-39.1	175	-68.9	-20.5	0	0	0	111.6	N119 D120 E126 S127	N119-N123 WeakPolarHBondContact O-CB 3.19Å; N119-N123 PolarHBondContact O-N 3.1Å; N119-N123 PolarHBondContact O-ND2 3.47Å; D120-N123 PolarHBondContact O-N 2.89Å; N123-E126 PolarHBondContact O-N 3.49Å; N123-S127 WeakPolarHBondContact O-CB 3.44Å; N123-S127 PolarHBondContact O-N 2.78Å; N123-S127 PolarHBondContact O-OG 3.26Å
124	L	83.1	Confident	78.2	Confident	28 Å²	28	57.2 Å²	57.2	15%	0.147	31%	0.307	C	S	.	.	H	α-helix	trans	-63.2	-45.5	175.7	-179.6	69.1	0	0	0	111.3	L89 P90 I91 L111 D120 V121 M122 S127 A128	L89-L124 HydrophobicContact CD2-CD1 3.83Å; L89-L124 HydrophobicContact CD2-CD2 4Å; L89-L124 HydrophobicContact CD2-CG 3.58Å; P90-L124 HydrophobicContact CG-CD1 3.68Å; I91-L124 HydrophobicContact CD1-CD1 4.25Å; I91-L124 HydrophobicContact CD1-CD2 3.87Å; I91-L124 HydrophobicContact CG1-CD1 4.42Å; L111-L124 HydrophobicContact CD1-CD2 4.25Å; L111-L124 HydrophobicContact CD2-CD2 3.79Å; D120-L124 VanDerWaalsContact O-CB 3.22Å; D120-L124 WeakPolarHBondContact O-CB 3.22Å; D120-L124 PolarHBondContact O-N 2.99Å; V121-L124 WeakPolarHBondContact O-CB 3.03Å; V121-L124 PolarHBondContact O-N 3.28Å; M122-L124 VanDerWaalsContact C-N 3.31Å; M122-L124 PolarHBondContact O-N 3.15Å; L124-S127 PolarHBondContact O-N 3.43Å; L124-S127 PolarHBondContact O-OG 3.1Å; L124-A128 PolarHBondContact O-N 3.46Å; L124-A128 VanDerWaalsContact O-N 3.11Å
125	L	80.4	Confident	77	Confident	10 Å²	10	50.1 Å²	50.1	5%	0.052	28%	0.277	C	S	.	.	H	α-helix	trans	-66.2	-41.1	176.7	-69.6	175	0	0	0	112	L49 V121 M122 S127 A128 G129 F130	L49-L125 HydrophobicContact CD2-CD2 4.22Å; V121-L125 HydrophobicContact CG1-CD1 4.01Å; V121-L125 HydrophobicContact CG1-CG 4.37Å; V121-L125 WeakPolarHBondContact O-CB 3.49Å; V121-L125 VanDerWaalsContact O-CG 3.3Å; V121-L125 WeakPolarHBondContact O-CG 3.23Å; V121-L125 PolarHBondContact O-N 3.06Å; M122-L125 PolarHBondContact O-N 3.34Å; L125-S127 VanDerWaalsContact C-N 3.34Å; L125-S127 PolarHBondContact O-N 3.38Å; L125-A128 PolarHBondContact O-N 2.76Å; L125-G129 PolarHBondContact O-N 3.41Å; L125-F130 HydrophobicContact CB-CB 4.15Å; L125-F130 HydrophobicContact CB-CD2 4.15Å; L125-F130 HydrophobicContact CD2-CD2 3.74Å; L125-F130 HydrophobicContact CD2-CE2 4.08Å; L125-F130 WeakPolarHBondContact O-CB 3.24Å; L125-F130 WeakPolarHBondContact O-CD2 3.48Å; L125-F130 PolarHBondContact O-N 3.25Å
126	E	77.4	Confident	76.2	Confident	50 Å²	50	44.9 Å²	44.9	23%	0.234	25%	0.251	C	S	.	.	H	α-helix	trans	-61.8	-40.9	173.6	-78.2	-169.9	174.5	0	0	111.7	M122 N123 A128 G129 F130 R132 R166	M122-E126 PolarHBondContact O-N 3.1Å; N123-E126 PolarHBondContact O-N 3.49Å; E126-A128 VanDerWaalsContact C-N 3.25Å; E126-A128 PolarHBondContact O-N 2.72Å; E126-G129 PolarHBondContact O-N 3.39Å; E126-F130 WeakPolarHBondContact CA-O 3.35Å; E126-R132 HydrophobicContact CG-CB 4.25Å; E126-R132 WeakPolarHBondContact OE1-CB 3.45Å; E126-R132 WeakPolarHBondContact OE1-CD 3.48Å; E126-R166 IonicContact OE1-NH2 3.62Å
127	S	75.6	Confident	75.6	Confident	74 Å²	74	43.2 Å²	43.2	52%	0.517	24%	0.241	S	C	.	.	H	α-helix	trans	-64	-30.6	176	74.6	0	0	0	0	113.2	N123 L124 L125 G129	N123-S127 WeakPolarHBondContact O-CB 3.44Å; N123-S127 PolarHBondContact O-N 2.78Å; N123-S127 PolarHBondContact O-OG 3.26Å; L124-S127 PolarHBondContact O-N 3.43Å; L124-S127 PolarHBondContact O-OG 3.1Å; L125-S127 VanDerWaalsContact C-N 3.34Å; L125-S127 PolarHBondContact O-N 3.38Å; S127-G129 PolarHBondContact O-N 3.26Å
128	A	73.4	Confident	75.4	Confident	2 Å²	2	40.3 Å²	40.3	2%	0.017	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-1.6	174.4	0	0	0	0	0	113.1	M1 R88 L89 L124 L125 E126 F130	M1-A128 HydrophobicContact CE-CB 4.44Å; R88-A128 HydrophobicContact CG-CB 4.45Å; R88-A128 PolarHBondContact NE-O 3.43Å; L89-A128 HydrophobicContact CD2-CB 3.97Å; L89-A128 HydrophobicContact CG-CB 4.05Å; L124-A128 PolarHBondContact O-N 3.46Å; L124-A128 VanDerWaalsContact O-N 3.11Å; L125-A128 PolarHBondContact O-N 2.76Å; E126-A128 VanDerWaalsContact C-N 3.25Å; E126-A128 PolarHBondContact O-N 2.72Å; A128-F130 HydrophobicContact CB-CD2 4.01Å; A128-F130 HydrophobicContact CB-CE2 4.06Å
129	G	72.3	Confident	75.3	Confident	28 Å²	28	37.2 Å²	37.2	29%	0.289	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.6	17	178.6	0	0	0	0	0	114.9	L125 E126 S127	L125-G129 PolarHBondContact O-N 3.41Å; E126-G129 PolarHBondContact O-N 3.39Å; S127-G129 PolarHBondContact O-N 3.26Å
130	F	75.9	Confident	75	Confident	7 Å²	7	33.9 Å²	33.9	3%	0.031	19%	0.189	C	C	.	.			trans	-91.3	123.3	171.3	-60.8	-74	0	0	0	110.9	M1 L125 E126 A128 Y137 P1145 F1146	M1-F130 HydrophobicContact CE-CE2 3.49Å; M1-F130 VanDerWaalsContact CE-CE2 3.49Å; M1-F130 HydrophobicContact CE-CZ 3.45Å; M1-F130 VanDerWaalsContact CE-CZ 3.45Å; M1-F130 HydrophobicContact SD-CE2 4.49Å; L125-F130 HydrophobicContact CB-CB 4.15Å; L125-F130 HydrophobicContact CB-CD2 4.15Å; L125-F130 HydrophobicContact CD2-CD2 3.74Å; L125-F130 HydrophobicContact CD2-CE2 4.08Å; L125-F130 WeakPolarHBondContact O-CB 3.24Å; L125-F130 WeakPolarHBondContact O-CD2 3.48Å; L125-F130 PolarHBondContact O-N 3.25Å; E126-F130 WeakPolarHBondContact CA-O 3.35Å; A128-F130 HydrophobicContact CB-CD2 4.01Å; A128-F130 HydrophobicContact CB-CE2 4.06Å; F130-Y137 HydrophobicContact CD1-CE1 4.11Å; F130-Y137 HydrophobicContact CD1-CE2 4.11Å; F130-Y137 AromaticContact CD1-CZ 3.83Å; F130-P1145 HydrophobicContact CE1-CG 4.26Å; F130-P1145 HydrophobicContact CZ-CB 4.47Å; F130-P1145 HydrophobicContact CZ-CG 3.98Å; F130-F1146 HydrophobicContact CE1-CD1 4.38Å; F130-F1146 AromaticContact CE1-CE1 3.52Å; F130-F1146 HydrophobicContact CE1-CE1 3.52Å; F130-F1146 AromaticContact CE1-CZ 3.59Å; F130-F1146 HydrophobicContact CE1-CZ 3.59Å; F130-F1146 HydrophobicContact CZ-CD1 4.43Å; F130-F1146 AromaticContact CZ-CE1 3.53Å; F130-F1146 HydrophobicContact CZ-CE1 3.53Å; F130-F1146 AromaticContact CZ-CZ 3.99Å; F130-F1146 HydrophobicContact CZ-CZ 3.99Å
131	S	67.2	Low	74.4	Confident	26 Å²	26	33.7 Å²	33.7	18%	0.182	19%	0.185	C	C	.	.			trans	-77.4	138.9	176.8	-164.7	0	0	0	0	113.5	E161	S131-E161 WeakPolarHBondContact CB-OE1 3.49Å; S131-E161 VanDerWaalsContact OG-CD 3.26Å; S131-E161 VanDerWaalsContact OG-CG 3.22Å; S131-E161 WeakPolarHBondContact OG-CG 3.43Å; S131-E161 PolarHBondContact OG-OE1 3.35Å
132	R	62.7	Low	73.6	Confident	103 Å²	103	35.8 Å²	35.8	39%	0.389	21%	0.208	S	C	.	.	S	Bend	trans	-73.1	-23.4	-176.1	173.8	179.2	178.5	-165.3	-0.9	115.5	E126	E126-R132 HydrophobicContact CG-CB 4.25Å; E126-R132 WeakPolarHBondContact OE1-CB 3.45Å; E126-R132 WeakPolarHBondContact OE1-CD 3.48Å
133	S	59	Low	73	Confident	68 Å²	68	37.9 Å²	37.9	48%	0.476	22%	0.216	S	C	.	.	S	Bend	trans	-124.9	-26.8	-165.8	-58.9	0	0	0	0	116.3	R166	S133-R166 PolarHBondContact OG-NH1 3.33Å; S133-R166 PolarHBondContact OG-NH2 2.82Å
134	N	60.7	Low	72.6	Confident	40 Å²	40	34 Å²	34	21%	0.214	20%	0.195	C	C	.	.			trans	-140.6	97.5	169.7	-152.1	0.7	0	0	0	111	Y136 L158 E161	N134-Y136 PolarHBondContact O-N 3.49Å; N134-L158 HydrophobicContact CB-CD1 4.43Å; N134-E161 WeakPolarHBondContact CB-OE2 3.23Å; N134-E161 PolarHBondContact N-OE1 3.02Å
135	P	63.8	Low	71.9	Confident	11 Å²	11	35.4 Å²	35.4	7%	0.071	20%	0.203	C	C	.	.			trans	-74.2	91.4	-179.4	30.1	-33.3	0	0	0	109.4	Y137 I138	P135-Y137 HydrophobicContact CB-CD1 4.07Å; P135-Y137 HydrophobicContact CB-CD2 4.33Å; P135-Y137 HydrophobicContact CB-CE1 3.57Å; P135-Y137 HydrophobicContact CB-CE2 3.85Å; P135-Y137 HydrophobicContact CB-CG 4.41Å; P135-Y137 VanDerWaalsContact CB-CZ 3.43Å; P135-Y137 PolarHBondContact O-N 2.57Å; P135-Y137 VanDerWaalsContact O-N 3.14Å; P135-I138 HydrophobicContact CB-CB 4.24Å; P135-I138 HydrophobicContact CB-CD1 4.15Å; P135-I138 HydrophobicContact CB-CG1 4.08Å; P135-I138 HydrophobicContact CG-CB 4.31Å; P135-I138 HydrophobicContact CG-CD1 4.36Å; P135-I138 PolarHBondContact O-N 2.77Å
136	Y	72	Confident	71.6	Confident	11 Å²	11	40.6 Å²	40.6	4%	0.043	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-14.9	173.1	62.5	-100.4	0	0	0	112.5	N134 V162 I1138 D1142 A1144	N134-Y136 PolarHBondContact O-N 3.49Å; Y136-V162 HydrophobicContact CD1-CG2 4.21Å; Y136-V162 HydrophobicContact CE1-CG2 4.21Å; Y136-I1138 HydrophobicContact CD2-CG2 4.12Å; Y136-I1138 HydrophobicContact CE2-CG2 4.31Å; Y136-I1138 HydrophobicContact CG-CG2 4.34Å; Y136-D1142 PolarHBondContact OH-OD2 2.76Å; Y136-A1144 HydrophobicContact CE2-CB 4.33Å
137	Y	78.4	Confident	71.2	Confident	2 Å²	2	40 Å²	40	1%	0.008	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-4.9	175	57.9	-91.6	0	0	0	114.2	F130 P135 F1146 L1148	F130-Y137 HydrophobicContact CD1-CE1 4.11Å; F130-Y137 HydrophobicContact CD1-CE2 4.11Å; F130-Y137 AromaticContact CD1-CZ 3.83Å; P135-Y137 HydrophobicContact CB-CD1 4.07Å; P135-Y137 HydrophobicContact CB-CD2 4.33Å; P135-Y137 HydrophobicContact CB-CE1 3.57Å; P135-Y137 HydrophobicContact CB-CE2 3.85Å; P135-Y137 HydrophobicContact CB-CG 4.41Å; P135-Y137 VanDerWaalsContact CB-CZ 3.43Å; P135-Y137 PolarHBondContact O-N 2.57Å; P135-Y137 VanDerWaalsContact O-N 3.14Å; Y137-F1146 HydrophobicContact CD2-CE2 4.26Å; Y137-L1148 PolarHBondContact O-N 2.65Å
138	I	81.9	Confident	70.9	Confident	16 Å²	16	36.5 Å²	36.5	8%	0.082	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	110.1	174.3	-54.6	-179.8	0	0	0	109.2	Q46 P135 L1148	Q46-I138 HydrophobicContact CB-CD1 4.39Å; Q46-I138 HydrophobicContact CG-CD1 3.95Å; P135-I138 HydrophobicContact CB-CB 4.24Å; P135-I138 HydrophobicContact CB-CD1 4.15Å; P135-I138 HydrophobicContact CB-CG1 4.08Å; P135-I138 HydrophobicContact CG-CB 4.31Å; P135-I138 HydrophobicContact CG-CD1 4.36Å; P135-I138 PolarHBondContact O-N 2.77Å; I138-L1148 HydrophobicContact CD1-CD1 4.22Å; I138-L1148 HydrophobicContact CG1-CB 4.45Å; I138-L1148 HydrophobicContact CG1-CD1 3.93Å; I138-L1148 HydrophobicContact CG2-CB 4.47Å
139	V	80.1	Confident	70.8	Confident	4 Å²	4	39.4 Å²	39.4	2%	0.024	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	106.9	177.5	-172.6	0	0	0	0	108.9	I144 I1135 L1148 F1149 D1150 I1152	V139-I144 HydrophobicContact CG1-CB 4.28Å; V139-I144 HydrophobicContact CG1-CD1 4.18Å; V139-I144 HydrophobicContact CG1-CG1 4.42Å; V139-I1135 HydrophobicContact CG2-CD1 3.9Å; V139-L1148 PolarHBondContact N-O 3.1Å; V139-F1149 HydrophobicContact CB-CD1 3.79Å; V139-F1149 HydrophobicContact CB-CE1 4.27Å; V139-F1149 HydrophobicContact CG2-CD1 3.58Å; V139-F1149 HydrophobicContact CG2-CE1 3.54Å; V139-D1150 PolarHBondContact O-N 3.48Å; V139-I1152 HydrophobicContact CB-CG2 4.22Å; V139-I1152 HydrophobicContact CG1-CG2 3.85Å
140	K	77.9	Confident	71.1	Confident	35 Å²	35	38.9 Å²	38.9	15%	0.152	21%	0.211	C	C	.	.			trans	-77.1	153.5	175	-58.3	-174.2	-174.8	-173.1	0	110.9	E52 G142 K143	E52-K140 IonicContact OE1-NZ 3.66Å; E52-K140 PolarHBondContact OE1-NZ 2.94Å; E52-K140 IonicContact OE2-NZ 2.63Å; E52-K140 PolarHBondContact OE2-NZ 3.41Å; K140-G142 PolarHBondContact O-N 2.82Å; K140-K143 HydrophobicContact CB-CB 4.03Å; K140-K143 HydrophobicContact CB-CD 4.46Å; K140-K143 HydrophobicContact CD-CD 4.44Å; K140-K143 HydrophobicContact CG-CD 4.48Å; K140-K143 PolarHBondContact O-N 3.4Å
141	Q	72.4	Confident	71.4	Confident	85 Å²	85	41.9 Å²	41.9	40%	0.397	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	131.6	167.7	-169.5	176.7	19.4	0	0	111	K143 E1151 Q1154	Q141-K143 PolarHBondContact O-N 3.47Å; Q141-E1151 VanDerWaalsContact CD-OE2 3.24Å; Q141-E1151 HydrophobicContact CG-CB 4.39Å; Q141-E1151 PolarHBondContact NE2-OE2 3.13Å; Q141-Q1154 VanDerWaalsContact NE2-OE1 3.17Å
142	G	68.3	Low	72.3	Confident	46 Å²	46	42.5 Å²	42.5	47%	0.474	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	-19.5	179.2	0	0	0	0	0	116.6	K140 I144	K140-G142 PolarHBondContact O-N 2.82Å; G142-I144 PolarHBondContact O-N 3.43Å
143	K	69.5	Low	73.2	Confident	55 Å²	55	40.9 Å²	40.9	24%	0.239	24%	0.237	C	C	.	.	H	α-helix	trans	-72.8	-16.5	178.2	-163.7	170.4	-178.4	-176.7	0	112.8	K140 Q141 N145 Q146 M147	K140-K143 HydrophobicContact CB-CB 4.03Å; K140-K143 HydrophobicContact CB-CD 4.46Å; K140-K143 HydrophobicContact CD-CD 4.44Å; K140-K143 HydrophobicContact CG-CD 4.48Å; K140-K143 PolarHBondContact O-N 3.4Å; Q141-K143 PolarHBondContact O-N 3.47Å; K143-N145 PolarHBondContact O-N 3.05Å; K143-Q146 WeakPolarHBondContact O-CB 2.99Å; K143-Q146 PolarHBondContact O-N 3.14Å; K143-M147 PolarHBondContact O-N 3.12Å
144	I	72.6	Confident	74.3	Confident	12 Å²	12	42.6 Å²	42.6	6%	0.062	24%	0.237	C	C	.	.	H	α-helix	trans	-62.7	-40.9	178.8	-158.6	156.1	0	0	0	112.9	V139 G142 Q146 M147 A1131 L1132 I1152	V139-I144 HydrophobicContact CG1-CB 4.28Å; V139-I144 HydrophobicContact CG1-CD1 4.18Å; V139-I144 HydrophobicContact CG1-CG1 4.42Å; G142-I144 PolarHBondContact O-N 3.43Å; I144-Q146 VanDerWaalsContact C-N 3.31Å; I144-Q146 PolarHBondContact O-N 3.2Å; I144-M147 PolarHBondContact O-N 3.44Å; I144-A1131 HydrophobicContact CG1-CB 3.76Å; I144-A1131 VanDerWaalsContact O-CB 3.25Å; I144-A1131 WeakPolarHBondContact O-CB 3.11Å; I144-L1132 HydrophobicContact CD1-CD1 4.24Å; I144-L1132 HydrophobicContact CD1-CD2 3.52Å; I144-L1132 HydrophobicContact CD1-CG 3.55Å; I144-I1152 HydrophobicContact CD1-CB 4.31Å; I144-I1152 HydrophobicContact CD1-CG2 4.27Å
145	N	68.7	Low	75.2	Confident	58 Å²	58	42 Å²	42	31%	0.31	23%	0.232	S	C	.	.	H	α-helix	trans	-67	-35.3	177	-75.6	-31.9	0	0	0	111.7	K143 M147 A148 T149 S1128	K143-N145 PolarHBondContact O-N 3.05Å; N145-M147 VanDerWaalsContact C-N 3.3Å; N145-M147 PolarHBondContact O-N 3.15Å; N145-A148 PolarHBondContact O-N 3.42Å; N145-T149 PolarHBondContact O-N 3.03Å; N145-T149 PolarHBondContact O-OG1 3.3Å; N145-T149 VanDerWaalsContact O-OG1 3.05Å; N145-S1128 PolarHBondContact OD1-OG 3.46Å
146	Q	72.8	Confident	76.1	Confident	120 Å²	120	41.8 Å²	41.8	56%	0.561	23%	0.23	S	C	*	.	H	α-helix	trans	-64.1	-34.6	179.6	-64.1	179	-3.7	0	0	112.2	K143 I144 T149 A150	K143-Q146 WeakPolarHBondContact O-CB 2.99Å; K143-Q146 PolarHBondContact O-N 3.14Å; I144-Q146 VanDerWaalsContact C-N 3.31Å; I144-Q146 PolarHBondContact O-N 3.2Å; Q146-T149 WeakPolarHBondContact CA-OG1 3.41Å; Q146-T149 CarbonylContact O-C 3.54Å; Q146-T149 PolarHBondContact O-N 3.33Å; Q146-T149 PolarHBondContact O-OG1 3.12Å; Q146-A150 WeakPolarHBondContact O-CA 3.43Å; Q146-A150 VanDerWaalsContact O-CB 3.31Å; Q146-A150 WeakPolarHBondContact O-CB 2.85Å; Q146-A150 PolarHBondContact O-N 3.07Å
147	M	70.4	Confident	76.5	Confident	37 Å²	37	47.9 Å²	47.9	18%	0.182	26%	0.257	C	S	.	.	H	α-helix	trans	-69.3	-34.1	177	-71.9	-159.3	-70.7	0	0	112.7	K143 I144 N145 I1135	K143-M147 PolarHBondContact O-N 3.12Å; I144-M147 PolarHBondContact O-N 3.44Å; N145-M147 VanDerWaalsContact C-N 3.3Å; N145-M147 PolarHBondContact O-N 3.15Å; M147-I1135 HydrophobicContact CE-CD1 3.31Å; M147-I1135 HydrophobicContact CE-CG1 3.6Å
148	A	68.2	Low	76.4	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.008	26%	0.262	C	S	.	.	H	α-helix	trans	-70.2	-40.4	172.4	0	0	0	0	0	112.2	N145 K1127 A1131	N145-A148 PolarHBondContact O-N 3.42Å; A148-K1127 HydrophobicContact CB-CB 4.28Å; A148-A1131 HydrophobicContact CB-CB 4.14Å
149	T	72.1	Confident	76.3	Confident	63 Å²	63	48.7 Å²	48.7	39%	0.387	26%	0.261	S	S	.	.	H	α-helix	trans	-88.6	-3	-178.2	58.7	0	0	0	0	114.6	N145 Q146 K1127	N145-T149 PolarHBondContact O-N 3.03Å; N145-T149 PolarHBondContact O-OG1 3.3Å; N145-T149 VanDerWaalsContact O-OG1 3.05Å; Q146-T149 WeakPolarHBondContact CA-OG1 3.41Å; Q146-T149 CarbonylContact O-C 3.54Å; Q146-T149 PolarHBondContact O-N 3.33Å; Q146-T149 PolarHBondContact O-OG1 3.12Å; T149-K1127 HydrophobicContact CG2-CD 4.43Å
150	A	78.7	Confident	76.2	Confident	16 Å²	16	51.2 Å²	51.2	13%	0.132	27%	0.27	C	S	.	.	S	Bend	trans	-58.7	145	179	0	0	0	0	0	110.7	Q146 Q154 R155	Q146-A150 WeakPolarHBondContact O-CA 3.43Å; Q146-A150 VanDerWaalsContact O-CB 3.31Å; Q146-A150 WeakPolarHBondContact O-CB 2.85Å; Q146-A150 PolarHBondContact O-N 3.07Å; A150-Q154 HydrophobicContact CB-CB 4.41Å; A150-R155 HydrophobicContact CB-CG 4.37Å; A150-R155 PolarHBondContact O-NE 3.29Å; A150-R155 PolarHBondContact O-NH2 3.49Å
151	P	82.4	Confident	76.1	Confident	71 Å²	71	50.6 Å²	50.6	46%	0.461	27%	0.268	S	S	.	.			trans	-62.1	152	176.8	26	-33.5	0	0	0	111.3	S153 Q154 R155	P151-S153 PolarHBondContact O-N 3.21Å; P151-S153 VanDerWaalsContact O-N 3.09Å; P151-Q154 HydrophobicContact CG-CB 3.87Å; P151-Q154 PolarHBondContact O-N 3.11Å; P151-R155 PolarHBondContact O-N 3.39Å
152	D	84.5	Confident	76.3	Confident	38 Å²	38	47.4 Å²	47.4	20%	0.203	26%	0.255	C	S	.	.	H	α-helix	trans	-55.1	-32.5	-176.2	-63.4	-4.2	0	0	0	112.7	R155 L156 K1065 G1102 V1103	D152-R155 PolarHBondContact O-N 3.26Å; D152-R155 IonicContact OD1-CZ 2.79Å; D152-R155 IonicContact OD1-NH1 3.93Å; D152-R155 PolarHBondContact OD1-NH1 3.32Å; D152-R155 IonicContact OD1-NH2 3.21Å; D152-R155 PolarHBondContact OD1-NH2 2.73Å; D152-L156 PolarHBondContact O-N 3.43Å; D152-K1065 WeakPolarHBondContact OD2-CD 3.35Å; D152-K1065 VanDerWaalsContact OD2-CE 3.3Å; D152-K1065 WeakPolarHBondContact OD2-CE 3.17Å; D152-K1065 IonicContact OD2-NZ 3.06Å; D152-K1065 PolarHBondContact OD2-NZ 3.43Å; D152-G1102 WeakPolarHBondContact O-CA 3.36Å; D152-V1103 PolarHBondContact O-N 3.22Å
153	S	82.8	Confident	76.6	Confident	69 Å²	69	46.3 Å²	46.3	48%	0.483	24%	0.241	S	C	.	.	H	α-helix	trans	-67.9	-36.6	176	56.5	0	0	0	0	113	P151 L156 K157	P151-S153 PolarHBondContact O-N 3.21Å; P151-S153 VanDerWaalsContact O-N 3.09Å; S153-L156 PolarHBondContact O-N 3.5Å; S153-K157 PolarHBondContact O-N 2.75Å
154	Q	81.2	Confident	76.8	Confident	105 Å²	105	46.3 Å²	46.3	49%	0.491	26%	0.256	S	S	.	.	H	α-helix	trans	-73.8	-31.9	177.3	-169.5	167	8.1	0	0	111.5	A150 P151 K157 L158	A150-Q154 HydrophobicContact CB-CB 4.41Å; P151-Q154 HydrophobicContact CG-CB 3.87Å; P151-Q154 PolarHBondContact O-N 3.11Å; Q154-K157 PolarHBondContact O-N 3.48Å; Q154-L158 PolarHBondContact O-N 3.1Å
155	R	81	Confident	77	Confident	26 Å²	26	46.1 Å²	46.1	10%	0.098	26%	0.256	C	S	.	.	H	α-helix	trans	-68.3	-38.4	170.2	-59.7	-166.3	-142.6	102	5.9	112.1	A150 P151 D152 K157 L158 L159 V1103	A150-R155 HydrophobicContact CB-CG 4.37Å; A150-R155 PolarHBondContact O-NE 3.29Å; A150-R155 PolarHBondContact O-NH2 3.49Å; P151-R155 PolarHBondContact O-N 3.39Å; D152-R155 PolarHBondContact O-N 3.26Å; D152-R155 IonicContact OD1-CZ 2.79Å; D152-R155 IonicContact OD1-NH1 3.93Å; D152-R155 PolarHBondContact OD1-NH1 3.32Å; D152-R155 IonicContact OD1-NH2 3.21Å; D152-R155 PolarHBondContact OD1-NH2 2.73Å; R155-K157 VanDerWaalsContact C-N 3.33Å; R155-L158 WeakPolarHBondContact O-CB 3.02Å; R155-L158 PolarHBondContact O-N 3.4Å; R155-L159 PolarHBondContact O-N 3.39Å; R155-V1103 HydrophobicContact CB-CB 4.42Å; R155-V1103 PolarHBondContact NH1-O 3.39Å
156	L	82.2	Confident	77.2	Confident	8 Å²	8	46.5 Å²	46.5	4%	0.042	25%	0.253	C	S	.	.	H	α-helix	trans	-62.2	-41.6	171.8	178.9	63.6	0	0	0	111.3	D152 S153 L158 L159 R160 M1064 F1100 V1103	D152-L156 PolarHBondContact O-N 3.43Å; S153-L156 PolarHBondContact O-N 3.5Å; L156-L158 VanDerWaalsContact C-N 3.33Å; L156-L158 PolarHBondContact O-N 3.01Å; L156-L159 PolarHBondContact O-N 2.71Å; L156-R160 WeakPolarHBondContact O-CG 3.4Å; L156-R160 PolarHBondContact O-N 2.95Å; L156-M1064 HydrophobicContact CD1-CE 3.87Å; L156-F1100 HydrophobicContact CD1-CB 4.48Å; L156-F1100 HydrophobicContact CD2-CB 3.98Å; L156-F1100 VanDerWaalsContact CD2-O 3.25Å; L156-F1100 WeakPolarHBondContact CD2-O 3.35Å; L156-V1103 HydrophobicContact CB-CG2 4.15Å; L156-V1103 HydrophobicContact CD1-CG2 3.96Å
157	K	79.5	Confident	77.3	Confident	139 Å²	139	43.6 Å²	43.6	60%	0.604	24%	0.243	S	C	*	.	H	α-helix	trans	-60.5	-42.1	175.2	-170.9	172.7	-177.1	173.7	0	112	S153 Q154 R155 R160 E161	S153-K157 PolarHBondContact O-N 2.75Å; Q154-K157 PolarHBondContact O-N 3.48Å; R155-K157 VanDerWaalsContact C-N 3.33Å; K157-R160 PolarHBondContact O-N 3.4Å; K157-E161 WeakPolarHBondContact O-CB 3.17Å; K157-E161 PolarHBondContact O-N 3.3Å
158	L	78.1	Confident	77.6	Confident	21 Å²	21	44.6 Å²	44.6	11%	0.11	25%	0.245	C	C	.	.	H	α-helix	trans	-62	-43	174	-179.7	66.1	0	0	0	111.8	N134 Q154 R155 L156 E161 V162 I1138	N134-L158 HydrophobicContact CB-CD1 4.43Å; Q154-L158 PolarHBondContact O-N 3.1Å; R155-L158 WeakPolarHBondContact O-CB 3.02Å; R155-L158 PolarHBondContact O-N 3.4Å; L156-L158 VanDerWaalsContact C-N 3.33Å; L156-L158 PolarHBondContact O-N 3.01Å; L158-E161 WeakPolarHBondContact O-CB 3.22Å; L158-E161 PolarHBondContact O-N 3.43Å; L158-V162 WeakPolarHBondContact O-CG2 3.16Å; L158-V162 PolarHBondContact O-N 3.05Å; L158-I1138 HydrophobicContact CD2-CD1 4.15Å
159	L	79	Confident	78	Confident	13 Å²	13	46.1 Å²	46.1	7%	0.068	25%	0.254	C	S	.	.	H	α-helix	trans	-66.2	-39.1	178.4	-163.6	110	0	0	0	112.2	R155 L156 E161 V162 A163 I1036 F1040 V1043	R155-L159 PolarHBondContact O-N 3.39Å; L156-L159 PolarHBondContact O-N 2.71Å; L159-E161 VanDerWaalsContact C-N 3.26Å; L159-E161 PolarHBondContact O-N 2.85Å; L159-V162 PolarHBondContact O-N 3.27Å; L159-A163 WeakPolarHBondContact O-CB 3.46Å; L159-A163 PolarHBondContact O-N 3.21Å; L159-I1036 HydrophobicContact CD2-CG2 4.43Å; L159-F1040 HydrophobicContact CD1-CD2 4.24Å; L159-F1040 HydrophobicContact CD2-CB 3.84Å; L159-F1040 HydrophobicContact CD2-CD2 4.06Å; L159-F1040 HydrophobicContact CD2-CG 4.44Å; L159-V1043 HydrophobicContact CD1-CB 4.3Å; L159-V1043 HydrophobicContact CD1-CG1 4.26Å; L159-V1043 HydrophobicContact CD1-CG2 4.43Å
160	R	78.4	Confident	78.3	Confident	57 Å²	57	48.6 Å²	48.6	22%	0.215	26%	0.261	C	S	.	.	H	α-helix	trans	-62	-35.2	172.5	-71.5	-179.3	-176.4	-170.8	0.7	112	L156 K157 A163 G164 T165 I1036 V1097	L156-R160 WeakPolarHBondContact O-CG 3.4Å; L156-R160 PolarHBondContact O-N 2.95Å; K157-R160 PolarHBondContact O-N 3.4Å; R160-A163 PolarHBondContact O-N 3.3Å; R160-G164 PolarHBondContact O-N 2.98Å; R160-T165 PolarHBondContact O-N 3.04Å; R160-T165 PolarHBondContact O-OG1 3.44Å; R160-I1036 HydrophobicContact CG-CD1 4.32Å; R160-V1097 PolarHBondContact NH2-O 2.79Å
161	E	75.6	Confident	78.3	Confident	23 Å²	23	56 Å²	56	11%	0.107	29%	0.285	C	S	.	.	H	α-helix	trans	-69.4	-44.1	176.5	-170.2	173.6	179.9	0	0	111.7	S131 N134 K157 L158 L159 A163 G164	S131-E161 WeakPolarHBondContact CB-OE1 3.49Å; S131-E161 VanDerWaalsContact OG-CD 3.26Å; S131-E161 VanDerWaalsContact OG-CG 3.22Å; S131-E161 WeakPolarHBondContact OG-CG 3.43Å; S131-E161 PolarHBondContact OG-OE1 3.35Å; N134-E161 WeakPolarHBondContact CB-OE2 3.23Å; N134-E161 PolarHBondContact N-OE1 3.02Å; K157-E161 WeakPolarHBondContact O-CB 3.17Å; K157-E161 PolarHBondContact O-N 3.3Å; L158-E161 WeakPolarHBondContact O-CB 3.22Å; L158-E161 PolarHBondContact O-N 3.43Å; L159-E161 VanDerWaalsContact C-N 3.26Å; L159-E161 PolarHBondContact O-N 2.85Å; E161-A163 VanDerWaalsContact C-N 3.26Å; E161-A163 PolarHBondContact O-N 3.09Å; E161-G164 WeakPolarHBondContact O-CA 3.41Å; E161-G164 PolarHBondContact O-N 3.02Å
162	V	75.6	Confident	78.3	Confident	18 Å²	18	54.3 Å²	54.3	11%	0.109	27%	0.27	C	S	.	.	H	α-helix	trans	-62.9	-34.4	173.4	174.4	0	0	0	0	111.5	Y136 L158 L159 G164 I1138 D1142	Y136-V162 HydrophobicContact CD1-CG2 4.21Å; Y136-V162 HydrophobicContact CE1-CG2 4.21Å; L158-V162 WeakPolarHBondContact O-CG2 3.16Å; L158-V162 PolarHBondContact O-N 3.05Å; L159-V162 PolarHBondContact O-N 3.27Å; V162-G164 PolarHBondContact O-N 3.22Å; V162-I1138 HydrophobicContact CG1-CG2 4.1Å; V162-I1138 HydrophobicContact CG2-CG2 3.7Å; V162-D1142 HydrophobicContact CG1-CB 4.18Å
163	A	74.4	Confident	78	Confident	23 Å²	23	59.3 Å²	59.3	19%	0.19	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-4.5	173.1	0	0	0	0	0	113.6	L159 R160 E161 T165 I1036 T1039	L159-A163 WeakPolarHBondContact O-CB 3.46Å; L159-A163 PolarHBondContact O-N 3.21Å; R160-A163 PolarHBondContact O-N 3.3Å; E161-A163 VanDerWaalsContact C-N 3.26Å; E161-A163 PolarHBondContact O-N 3.09Å; A163-T165 HydrophobicContact CB-CG2 3.93Å; A163-T165 PolarHBondContact O-N 3.24Å; A163-I1036 HydrophobicContact CB-CG1 4.2Å; A163-T1039 HydrophobicContact CB-CG2 4.18Å
164	G	73.9	Confident	77.9	Confident	54 Å²	54	61.9 Å²	61.9	56%	0.557	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	15.1	177.7	0	0	0	0	0	114.9	R160 E161 V162 R166	R160-G164 PolarHBondContact O-N 2.98Å; E161-G164 WeakPolarHBondContact O-CA 3.41Å; E161-G164 PolarHBondContact O-N 3.02Å; V162-G164 PolarHBondContact O-N 3.22Å; G164-R166 VanDerWaalsContact C-N 3.34Å; G164-R166 PolarHBondContact O-N 3.4Å
165	T	76.7	Confident	77.9	Confident	9 Å²	9	59.7 Å²	59.7	6%	0.055	29%	0.294	C	S	.	.			trans	-83.4	-7.4	-168.4	65.4	0	0	0	0	114.4	R160 A163 Y168 D169 K1032 I1036	R160-T165 PolarHBondContact O-N 3.04Å; R160-T165 PolarHBondContact O-OG1 3.44Å; A163-T165 HydrophobicContact CB-CG2 3.93Å; A163-T165 PolarHBondContact O-N 3.24Å; T165-Y168 WeakPolarHBondContact O-CB 3.05Å; T165-Y168 PolarHBondContact O-N 3.25Å; T165-D169 PolarHBondContact O-N 3.21Å; T165-D169 VanDerWaalsContact O-N 3.12Å; T165-K1032 HydrophobicContact CG2-CG 3.71Å; T165-I1036 HydrophobicContact CG2-CD1 4.09Å; T165-I1036 HydrophobicContact CG2-CG1 3.93Å
166	R	73.7	Confident	77.9	Confident	65 Å²	65	62.1 Å²	62.1	25%	0.245	31%	0.307	C	S	.	.	H	α-helix	trans	-69.2	-43.9	-173	-171.6	-177.3	71.9	176.6	3.1	114	E126 S133 G164 Y168 D169 E170	E126-R166 IonicContact OE1-NH2 3.62Å; S133-R166 PolarHBondContact OG-NH1 3.33Å; S133-R166 PolarHBondContact OG-NH2 2.82Å; G164-R166 VanDerWaalsContact C-N 3.34Å; G164-R166 PolarHBondContact O-N 3.4Å; R166-Y168 PolarHBondContact O-N 3.38Å; R166-D169 PolarHBondContact O-N 2.75Å; R166-D169 VanDerWaalsContact O-N 3.13Å; R166-E170 PolarHBondContact O-N 3.41Å
167	V	74.2	Confident	77.9	Confident	59 Å²	59	64.7 Å²	64.7	36%	0.358	33%	0.326	S	S	.	.	H	α-helix	trans	-61.5	-34.6	179.4	178.5	0	0	0	0	110.3	R171	V167-R171 WeakPolarHBondContact O-CB 3.48Å; V167-R171 WeakPolarHBondContact O-CG 3.31Å; V167-R171 PolarHBondContact O-N 3.48Å; V167-R171 VanDerWaalsContact O-N 3.13Å
168	Y	78.4	Confident	77.8	Confident	58 Å²	58	62.5 Å²	62.5	23%	0.227	32%	0.321	C	S	.	.	H	α-helix	trans	-66.6	-46.2	173.7	175.9	-97.7	0	0	0	112.1	T165 R166 E170 R171 K172 M1025 L1028 K1032	T165-Y168 WeakPolarHBondContact O-CB 3.05Å; T165-Y168 PolarHBondContact O-N 3.25Å; R166-Y168 PolarHBondContact O-N 3.38Å; Y168-E170 PolarHBondContact O-N 3.4Å; Y168-R171 PolarHBondContact O-N 3.4Å; Y168-K172 HydrophobicContact CE1-CD 4.12Å; Y168-K172 WeakPolarHBondContact O-CB 3.43Å; Y168-K172 PolarHBondContact O-N 3.43Å; Y168-M1025 PolarHBondContact OH-O 3.34Å; Y168-L1028 HydrophobicContact CE2-CB 3.76Å; Y168-L1028 HydrophobicContact CE2-CD1 3.82Å; Y168-L1028 HydrophobicContact CE2-CG 4.35Å; Y168-L1028 WeakPolarHBondContact OH-CB 3.35Å; Y168-K1032 HydrophobicContact CD1-CD 3.85Å; Y168-K1032 HydrophobicContact CE1-CD 4.06Å
169	D	76.6	Confident	77.8	Confident	34 Å²	34	63 Å²	63	18%	0.182	32%	0.323	C	S	.	.	H	α-helix	trans	-60.6	-44.9	178.8	-70.5	-28.3	0	0	0	111.7	T165 R166 K172 E173 K1032	T165-D169 PolarHBondContact O-N 3.21Å; T165-D169 VanDerWaalsContact O-N 3.12Å; R166-D169 PolarHBondContact O-N 2.75Å; R166-D169 VanDerWaalsContact O-N 3.13Å; D169-K172 PolarHBondContact O-N 3.5Å; D169-E173 PolarHBondContact O-N 3.31Å; D169-K1032 WeakPolarHBondContact OD1-CD 3.42Å; D169-K1032 IonicContact OD1-NZ 3.53Å; D169-K1032 PolarHBondContact OD1-NZ 3.37Å; D169-K1032 IonicContact OD2-NZ 2.78Å
170	E	77.3	Confident	77.8	Confident	114 Å²	114	68.4 Å²	68.4	53%	0.533	35%	0.346	S	S	.	.	H	α-helix	trans	-63.7	-45.3	178.5	-169.1	172.5	-175.4	0	0	111.9	R166 Y168 K172 E173 E174	R166-E170 PolarHBondContact O-N 3.41Å; Y168-E170 PolarHBondContact O-N 3.4Å; E170-K172 VanDerWaalsContact C-N 3.34Å; E170-K172 PolarHBondContact O-N 3.41Å; E170-E173 PolarHBondContact O-N 3.14Å; E170-E174 PolarHBondContact O-N 3.2Å
171	R	78.6	Confident	77.8	Confident	172 Å²	172	72.2 Å²	72.2	65%	0.649	37%	0.366	S	S	*	.	H	α-helix	trans	-68.8	-30.7	175.7	-74.2	-170.7	176.1	-170.8	1.2	113.3	V167 Y168 S175	V167-R171 WeakPolarHBondContact O-CB 3.48Å; V167-R171 WeakPolarHBondContact O-CG 3.31Å; V167-R171 PolarHBondContact O-N 3.48Å; V167-R171 VanDerWaalsContact O-N 3.13Å; Y168-R171 PolarHBondContact O-N 3.4Å; R171-S175 VanDerWaalsContact O-CB 3.31Å; R171-S175 WeakPolarHBondContact O-CB 3.15Å; R171-S175 PolarHBondContact O-N 2.94Å; R171-S175 PolarHBondContact O-OG 3.14Å
172	K	81.9	Confident	77.8	Confident	35 Å²	35	74.1 Å²	74.1	15%	0.152	38%	0.379	C	S	.	.	H	α-helix	trans	-65.9	-47.4	176	177.1	-178.8	170.6	179.6	0	110	Y168 D169 E170 E174 S175 I176 M1025 E1029	Y168-K172 HydrophobicContact CE1-CD 4.12Å; Y168-K172 WeakPolarHBondContact O-CB 3.43Å; Y168-K172 PolarHBondContact O-N 3.43Å; D169-K172 PolarHBondContact O-N 3.5Å; E170-K172 VanDerWaalsContact C-N 3.34Å; E170-K172 PolarHBondContact O-N 3.41Å; K172-E174 VanDerWaalsContact C-N 3.34Å; K172-E174 PolarHBondContact O-N 2.68Å; K172-S175 PolarHBondContact O-N 3.45Å; K172-I176 HydrophobicContact CD-CD1 4.4Å; K172-I176 HydrophobicContact CG-CD1 3.8Å; K172-I176 HydrophobicContact CG-CG1 4.39Å; K172-I176 WeakPolarHBondContact O-CB 3.09Å; K172-I176 VanDerWaalsContact O-CG1 3.28Å; K172-I176 WeakPolarHBondContact O-CG1 3.4Å; K172-I176 PolarHBondContact O-N 2.78Å; K172-M1025 HydrophobicContact CG-SD 4.39Å; K172-E1029 IonicContact NZ-OE1 3.85Å; K172-E1029 PolarHBondContact NZ-OE1 3.2Å; K172-E1029 IonicContact NZ-OE2 3.73Å; K172-E1029 PolarHBondContact NZ-OE2 3.38Å
173	E	79.9	Confident	77.6	Confident	144 Å²	144	76.4 Å²	76.4	67%	0.673	39%	0.389	S	S	*	.	H	α-helix	trans	-59.6	-44.2	177.4	-73.6	177.2	-174.1	0	0	111.9	D169 E170 I176 S177	D169-E173 PolarHBondContact O-N 3.31Å; E170-E173 PolarHBondContact O-N 3.14Å; E173-I176 PolarHBondContact O-N 3.27Å; E173-S177 PolarHBondContact O-N 2.86Å; E173-S177 VanDerWaalsContact O-N 3.14Å
174	E	79.8	Confident	77.1	Confident	122 Å²	122	81 Å²	81	57%	0.57	41%	0.406	S	S	*	.	H	α-helix	trans	-63.9	-39.1	174.4	-171.2	179.6	-167.5	0	0	112.3	E170 K172 S177 L178	E170-E174 PolarHBondContact O-N 3.2Å; K172-E174 VanDerWaalsContact C-N 3.34Å; K172-E174 PolarHBondContact O-N 2.68Å; E174-S177 PolarHBondContact O-OG 2.64Å; E174-L178 WeakPolarHBondContact O-CG 3.15Å; E174-L178 PolarHBondContact O-N 2.7Å
175	S	80.4	Confident	76.8	Confident	60 Å²	60	80.3 Å²	80.3	42%	0.42	40%	0.4	S	S	.	.	H	α-helix	trans	-68.9	-37.8	177.4	-60	0	0	0	0	111.9	R171 K172 L178 M179	R171-S175 VanDerWaalsContact O-CB 3.31Å; R171-S175 WeakPolarHBondContact O-CB 3.15Å; R171-S175 PolarHBondContact O-N 2.94Å; R171-S175 PolarHBondContact O-OG 3.14Å; K172-S175 PolarHBondContact O-N 3.45Å; S175-L178 PolarHBondContact O-N 2.81Å; S175-M179 WeakPolarHBondContact O-CE 3.4Å; S175-M179 WeakPolarHBondContact O-CG 3.26Å; S175-M179 PolarHBondContact O-N 3.23Å
176	I	82.6	Confident	76.2	Confident	76 Å²	76	86.8 Å²	86.8	39%	0.39	43%	0.427	S	S	.	.	H	α-helix	trans	-64.2	-41.8	178	-73	170.4	0	0	0	111.3	K172 E173 M179 K180 M1025	K172-I176 HydrophobicContact CD-CD1 4.4Å; K172-I176 HydrophobicContact CG-CD1 3.8Å; K172-I176 HydrophobicContact CG-CG1 4.39Å; K172-I176 WeakPolarHBondContact O-CB 3.09Å; K172-I176 VanDerWaalsContact O-CG1 3.28Å; K172-I176 WeakPolarHBondContact O-CG1 3.4Å; K172-I176 PolarHBondContact O-N 2.78Å; E173-I176 PolarHBondContact O-N 3.27Å; I176-M179 HydrophobicContact CB-CE 4.36Å; I176-M179 HydrophobicContact CG1-CE 3.85Å; I176-M179 PolarHBondContact O-N 3.45Å; I176-K180 WeakPolarHBondContact O-CB 3.45Å; I176-K180 PolarHBondContact O-N 2.87Å; I176-M1025 HydrophobicContact CD1-SD 4.38Å; I176-M1025 HydrophobicContact CG1-SD 4.34Å
177	S	80.9	Confident	76.2	Confident	62 Å²	62	86.2 Å²	86.2	43%	0.434	43%	0.425	S	S	.	.	H	α-helix	trans	-62.5	-44.8	176.2	64.2	0	0	0	0	111.2	E173 E174 M179 K180 E181	E173-S177 PolarHBondContact O-N 2.86Å; E173-S177 VanDerWaalsContact O-N 3.14Å; E174-S177 PolarHBondContact O-OG 2.64Å; S177-M179 PolarHBondContact O-N 3.31Å; S177-K180 PolarHBondContact O-N 3.48Å; S177-E181 PolarHBondContact O-N 3.03Å; S177-E181 VanDerWaalsContact O-N 3.15Å
178	L	77.9	Confident	76.1	Confident	94 Å²	94	89.7 Å²	89.7	49%	0.492	44%	0.437	S	S	.	.	H	α-helix	trans	-63.2	-40.3	175.9	-68.2	172.3	0	0	0	112.7	E174 S175 E181 T182	E174-L178 WeakPolarHBondContact O-CG 3.15Å; E174-L178 PolarHBondContact O-N 2.7Å; S175-L178 PolarHBondContact O-N 2.81Å; L178-E181 PolarHBondContact O-N 3.43Å; L178-T182 WeakPolarHBondContact O-CG2 3.46Å; L178-T182 PolarHBondContact O-N 3.03Å; L178-T182 VanDerWaalsContact O-N 3.1Å
179	M	77.6	Confident	75.7	Confident	32 Å²	32	93.4 Å²	93.4	16%	0.158	46%	0.455	C	S	.	.	H	α-helix	trans	-65.1	-40.8	176.9	-78	-178.1	-61.3	0	0	111.9	S175 I176 S177 E181 T182 E183 I1021 M1025	S175-M179 WeakPolarHBondContact O-CE 3.4Å; S175-M179 WeakPolarHBondContact O-CG 3.26Å; S175-M179 PolarHBondContact O-N 3.23Å; I176-M179 HydrophobicContact CB-CE 4.36Å; I176-M179 HydrophobicContact CG1-CE 3.85Å; I176-M179 PolarHBondContact O-N 3.45Å; S177-M179 PolarHBondContact O-N 3.31Å; M179-E181 VanDerWaalsContact C-N 3.31Å; M179-E181 PolarHBondContact O-N 3.02Å; M179-T182 WeakPolarHBondContact CA-OG1 3.45Å; M179-T182 PolarHBondContact O-N 3.11Å; M179-T182 VanDerWaalsContact O-N 3.08Å; M179-T182 PolarHBondContact O-OG1 3.4Å; M179-E183 PolarHBondContact O-N 3.31Å; M179-I1021 HydrophobicContact SD-CG2 3.82Å; M179-M1025 HydrophobicContact CE-CE 3.25Å; M179-M1025 HydrophobicContact CE-SD 4.5Å; M179-M1025 HydrophobicContact SD-CE 3.91Å
180	K	78.8	Confident	75.5	Confident	125 Å²	125	94.4 Å²	94.4	54%	0.543	46%	0.459	S	S	.	.	H	α-helix	trans	-59.8	-42.8	176.3	-170.4	178.5	176.7	-177.6	0	111.4	I176 S177 T182 E183 E184	I176-K180 WeakPolarHBondContact O-CB 3.45Å; I176-K180 PolarHBondContact O-N 2.87Å; S177-K180 PolarHBondContact O-N 3.48Å; K180-T182 VanDerWaalsContact C-N 3.31Å; K180-T182 PolarHBondContact O-N 3.12Å; K180-E183 PolarHBondContact O-N 3.24Å; K180-E184 WeakPolarHBondContact CE-OE1 3.25Å; K180-E184 IonicContact NZ-OE1 3.1Å; K180-E184 PolarHBondContact O-N 2.99Å
181	E	78.2	Confident	75.3	Confident	137 Å²	137	92.3 Å²	92.3	64%	0.64	45%	0.452	S	S	*	.	H	α-helix	trans	-62	-37	173.8	-70.7	-175.6	174.8	0	0	112.7	S177 L178 M179 G185	S177-E181 PolarHBondContact O-N 3.03Å; S177-E181 VanDerWaalsContact O-N 3.15Å; L178-E181 PolarHBondContact O-N 3.43Å; M179-E181 VanDerWaalsContact C-N 3.31Å; M179-E181 PolarHBondContact O-N 3.02Å; E181-G185 WeakPolarHBondContact O-CA 3.49Å; E181-G185 PolarHBondContact O-N 3.03Å
182	T	76.5	Confident	75.1	Confident	63 Å²	63	90.9 Å²	90.9	39%	0.387	45%	0.452	S	S	.	.	H	α-helix	trans	-73.2	-33.9	177.4	57.9	0	0	0	0	113.8	L178 M179 K180 K186 R187	L178-T182 WeakPolarHBondContact O-CG2 3.46Å; L178-T182 PolarHBondContact O-N 3.03Å; L178-T182 VanDerWaalsContact O-N 3.1Å; M179-T182 WeakPolarHBondContact CA-OG1 3.45Å; M179-T182 PolarHBondContact O-N 3.11Å; M179-T182 VanDerWaalsContact O-N 3.08Å; M179-T182 PolarHBondContact O-OG1 3.4Å; K180-T182 VanDerWaalsContact C-N 3.31Å; K180-T182 PolarHBondContact O-N 3.12Å; T182-K186 PolarHBondContact O-N 3.44Å; T182-R187 PolarHBondContact O-N 3.49Å
183	E	70.6	Confident	74.6	Confident	67 Å²	67	93.8 Å²	93.8	31%	0.313	47%	0.469	S	S	.	.	I	π-helix	trans	-68.8	-54.8	178.4	-169	69.3	-170.1	0	0	110.9	M179 K180 R187	M179-E183 PolarHBondContact O-N 3.31Å; K180-E183 PolarHBondContact O-N 3.24Å; E183-R187 IonicContact OE1-CZ 2.73Å; E183-R187 IonicContact OE1-NH1 3.83Å; E183-R187 PolarHBondContact OE1-NH1 3.45Å; E183-R187 WeakPolarHBondContact OE2-CD 3.3Å; E183-R187 IonicContact OE2-CZ 3.66Å; E183-R187 IonicContact OE2-NE 3.43Å; E183-R187 IonicContact OE2-NH1 3.75Å; E183-R187 PolarHBondContact OE2-NH1 3.17Å
184	E	65.7	Low	74.4	Confident	118 Å²	118	87.6 Å²	87.6	55%	0.551	44%	0.441	S	S	*	.	I	π-helix	trans	-70.6	-32.3	-178.8	-66.7	176.3	177.5	0	0	111.6	K180	K180-E184 WeakPolarHBondContact CE-OE1 3.25Å; K180-E184 IonicContact NZ-OE1 3.1Å; K180-E184 PolarHBondContact O-N 2.99Å
185	G	65.8	Low	74.4	Confident	41 Å²	41	89.3 Å²	89.3	42%	0.423	45%	0.446	S	S	.	.	I	π-helix	trans	-90.2	-46.3	-173.8	0	0	0	0	0	115.4	E181	E181-G185 WeakPolarHBondContact O-CA 3.49Å; E181-G185 PolarHBondContact O-N 3.03Å
186	K	65.9	Low	74.1	Confident	145 Å²	145	93.4 Å²	93.4	63%	0.63	45%	0.454	S	S	*	.	I	π-helix	trans	-106.2	-40.3	-164.9	-66.5	-177.9	-176.7	170.4	0	113.7	T182 I190	T182-K186 PolarHBondContact O-N 3.44Å; K186-I190 WeakPolarHBondContact O-CD1 3.4Å; K186-I190 VanDerWaalsContact O-CG1 3.24Å; K186-I190 WeakPolarHBondContact O-CG1 3.25Å; K186-I190 PolarHBondContact O-N 3.48Å
187	R	72.1	Confident	73.7	Confident	52 Å²	52	91.1 Å²	91.1	20%	0.196	44%	0.442	C	S	.	.	I	π-helix	trans	-73.4	-43.3	-178.1	-77.4	176.4	79	-149.6	-5.9	112.4	T182 E183 K189 I190 N191 D1015	T182-R187 PolarHBondContact O-N 3.49Å; E183-R187 IonicContact OE1-CZ 2.73Å; E183-R187 IonicContact OE1-NH1 3.83Å; E183-R187 PolarHBondContact OE1-NH1 3.45Å; E183-R187 WeakPolarHBondContact OE2-CD 3.3Å; E183-R187 IonicContact OE2-CZ 3.66Å; E183-R187 IonicContact OE2-NE 3.43Å; E183-R187 IonicContact OE2-NH1 3.75Å; E183-R187 PolarHBondContact OE2-NH1 3.17Å; R187-K189 VanDerWaalsContact C-N 3.3Å; R187-K189 PolarHBondContact O-N 3.14Å; R187-I190 PolarHBondContact O-N 3.21Å; R187-N191 PolarHBondContact O-N 3.07Å; R187-N191 VanDerWaalsContact O-N 3.13Å; R187-D1015 IonicContact CZ-OD1 2.68Å; R187-D1015 IonicContact NE-OD1 3.4Å; R187-D1015 PolarHBondContact NE-OD1 2.96Å; R187-D1015 VanDerWaalsContact NH2-CG 3.26Å; R187-D1015 IonicContact NH2-OD1 3.21Å; R187-D1015 PolarHBondContact NH2-OD1 3.46Å; R187-D1015 IonicContact NH2-OD2 2.89Å
188	E	73.4	Confident	73.3	Confident	133 Å²	133	92.9 Å²	92.9	62%	0.621	44%	0.443	S	S	*	.	H	α-helix	trans	-58.1	-44.8	176.7	-170.1	173.3	-172.1	0	0	111.5	I190 N191 E192	E188-I190 VanDerWaalsContact C-N 3.35Å; E188-I190 PolarHBondContact O-N 3.5Å; E188-N191 PolarHBondContact O-N 3.44Å; E188-E192 PolarHBondContact O-N 3.12Å
189	K	69.5	Low	73.2	Confident	136 Å²	136	95.1 Å²	95.1	59%	0.591	45%	0.451	S	S	*	.	H	α-helix	trans	-65.8	-32.8	178.8	-161.7	162.2	-171.8	165.8	0	113.7	R187 L193	R187-K189 VanDerWaalsContact C-N 3.3Å; R187-K189 PolarHBondContact O-N 3.14Å; K189-L193 WeakPolarHBondContact O-CB 3.06Å; K189-L193 WeakPolarHBondContact O-CD1 3.29Å; K189-L193 WeakPolarHBondContact O-CG 3.28Å; K189-L193 PolarHBondContact O-N 3.04Å
190	I	71.6	Confident	72.8	Confident	54 Å²	54	97.7 Å²	97.7	28%	0.277	46%	0.459	S	S	.	.	H	α-helix	trans	-71.1	-41.6	176.7	-71.7	166.6	0	0	0	110.9	K186 R187 E188 L193 L194 L1014	K186-I190 WeakPolarHBondContact O-CD1 3.4Å; K186-I190 VanDerWaalsContact O-CG1 3.24Å; K186-I190 WeakPolarHBondContact O-CG1 3.25Å; K186-I190 PolarHBondContact O-N 3.48Å; R187-I190 PolarHBondContact O-N 3.21Å; E188-I190 VanDerWaalsContact C-N 3.35Å; E188-I190 PolarHBondContact O-N 3.5Å; I190-L193 PolarHBondContact O-N 3.05Å; I190-L194 HydrophobicContact CG2-CD1 4.43Å; I190-L194 PolarHBondContact O-N 3.05Å; I190-L1014 HydrophobicContact CD1-CD1 4.19Å
191	N	74.2	Confident	72.6	Confident	70 Å²	70	92.8 Å²	92.8	37%	0.374	44%	0.438	S	S	.	.	H	α-helix	trans	-67.9	-39.1	-179.9	-70.4	-16.9	0	0	0	112.2	R187 E188 L193 L194 K195 Q1011	R187-N191 PolarHBondContact O-N 3.07Å; R187-N191 VanDerWaalsContact O-N 3.13Å; E188-N191 PolarHBondContact O-N 3.44Å; N191-L193 VanDerWaalsContact C-N 3.35Å; N191-L194 PolarHBondContact O-N 3.16Å; N191-K195 PolarHBondContact O-N 3.43Å; N191-K195 VanDerWaalsContact O-N 3.16Å; N191-Q1011 VanDerWaalsContact OD1-CD 3.32Å; N191-Q1011 PolarHBondContact OD1-NE2 3.46Å
192	E	74.6	Confident	72.2	Confident	142 Å²	142	93.1 Å²	93.1	66%	0.664	44%	0.44	S	S	*	.	H	α-helix	trans	-61.1	-43.9	172.8	-168.3	-179.8	-170.4	0	0	111.4	E188 K195 Y196	E188-E192 PolarHBondContact O-N 3.12Å; E192-K195 PolarHBondContact O-N 3.4Å; E192-Y196 PolarHBondContact O-N 3.28Å; E192-Y196 VanDerWaalsContact O-N 3.15Å
193	L	69.9	Low	72	Confident	96 Å²	96	92.6 Å²	92.6	50%	0.503	44%	0.437	S	S	.	.	H	α-helix	trans	-66.2	-37.5	177.4	-73.6	171.9	0	0	0	113.2	K189 I190 N191 Y196 I197	K189-L193 WeakPolarHBondContact O-CB 3.06Å; K189-L193 WeakPolarHBondContact O-CD1 3.29Å; K189-L193 WeakPolarHBondContact O-CG 3.28Å; K189-L193 PolarHBondContact O-N 3.04Å; I190-L193 PolarHBondContact O-N 3.05Å; N191-L193 VanDerWaalsContact C-N 3.35Å; L193-Y196 PolarHBondContact O-N 3.39Å; L193-I197 VanDerWaalsContact O-CG1 3.27Å; L193-I197 WeakPolarHBondContact O-CG1 3.46Å; L193-I197 PolarHBondContact O-N 3.23Å
194	L	76.9	Confident	71.9	Confident	15 Å²	15	89.5 Å²	89.5	8%	0.079	42%	0.422	C	S	.	.	H	α-helix	trans	-65.8	-44.3	177.5	-95.4	168.2	0	0	0	112.2	I190 N191 Y196 I197 E198 K1004 L1007 I1008	I190-L194 HydrophobicContact CG2-CD1 4.43Å; I190-L194 PolarHBondContact O-N 3.05Å; N191-L194 PolarHBondContact O-N 3.16Å; L194-Y196 VanDerWaalsContact C-N 3.27Å; L194-Y196 PolarHBondContact O-N 3.35Å; L194-I197 PolarHBondContact O-N 3.44Å; L194-I197 VanDerWaalsContact O-N 3.16Å; L194-E198 PolarHBondContact O-N 3.18Å; L194-E198 VanDerWaalsContact O-N 3.14Å; L194-K1004 HydrophobicContact CD2-CG 4.23Å; L194-L1007 HydrophobicContact CD2-CB 4.2Å; L194-I1008 HydrophobicContact CD1-CG1 4.15Å; L194-I1008 HydrophobicContact CD2-CD1 4.37Å; L194-I1008 HydrophobicContact CD2-CG1 3.72Å
195	K	78.9	Confident	71.9	Confident	158 Å²	158	88.5 Å²	88.5	69%	0.687	42%	0.418	S	S	*	.	H	α-helix	trans	-61.2	-39.2	176.9	-166.2	173.9	-173.1	-179.3	0	111.6	N191 E192 E198 E199	N191-K195 PolarHBondContact O-N 3.43Å; N191-K195 VanDerWaalsContact O-N 3.16Å; E192-K195 PolarHBondContact O-N 3.4Å; K195-E198 PolarHBondContact O-N 3.42Å; K195-E199 PolarHBondContact O-N 2.65Å
196	Y	74.2	Confident	72	Confident	146 Å²	146	91.8 Å²	91.8	57%	0.573	43%	0.425	S	S	*	.	H	α-helix	trans	-64.3	-40.3	174.3	-178.4	-98.9	0	0	0	113.1	E192 L193 L194 E198 R200	E192-Y196 PolarHBondContact O-N 3.28Å; E192-Y196 VanDerWaalsContact O-N 3.15Å; L193-Y196 PolarHBondContact O-N 3.39Å; L194-Y196 VanDerWaalsContact C-N 3.27Å; L194-Y196 PolarHBondContact O-N 3.35Å; Y196-E198 PolarHBondContact O-N 3.19Å; Y196-R200 WeakPolarHBondContact O-CB 2.97Å; Y196-R200 PolarHBondContact O-N 2.72Å
197	I	73.9	Confident	72	Confident	28 Å²	28	86.1 Å²	86.1	14%	0.144	40%	0.401	C	S	.	.	H	α-helix	trans	-65.8	-37.5	178.8	-70.8	166.6	0	0	0	111.5	L193 L194 R200 L201 K1004 L1007	L193-I197 VanDerWaalsContact O-CG1 3.27Å; L193-I197 WeakPolarHBondContact O-CG1 3.46Å; L193-I197 PolarHBondContact O-N 3.23Å; L194-I197 PolarHBondContact O-N 3.44Å; L194-I197 VanDerWaalsContact O-N 3.16Å; I197-R200 PolarHBondContact O-N 3.2Å; I197-L201 HydrophobicContact CG2-CD1 4.16Å; I197-L201 PolarHBondContact O-N 2.77Å; I197-K1004 HydrophobicContact CG2-CB 4.08Å; I197-K1004 HydrophobicContact CG2-CG 4.44Å; I197-L1007 HydrophobicContact CD1-CD1 3.89Å
198	E	73.5	Confident	71.7	Confident	99 Å²	99	88.4 Å²	88.4	46%	0.463	41%	0.413	S	S	.	.	H	α-helix	trans	-64.1	-46.2	177.5	-68	-162.7	141.2	0	0	112.8	L194 K195 Y196 R200 L201 K1004	L194-E198 PolarHBondContact O-N 3.18Å; L194-E198 VanDerWaalsContact O-N 3.14Å; K195-E198 PolarHBondContact O-N 3.42Å; Y196-E198 PolarHBondContact O-N 3.19Å; E198-R200 VanDerWaalsContact C-N 3.28Å; E198-R200 PolarHBondContact O-N 2.81Å; E198-L201 PolarHBondContact O-N 2.96Å; E198-K1004 HydrophobicContact CG-CD 4.22Å; E198-K1004 WeakPolarHBondContact OE1-CE 3.11Å; E198-K1004 IonicContact OE1-NZ 3.42Å; E198-K1004 PolarHBondContact OE1-NZ 3.42Å
199	E	74.9	Confident	71.2	Confident	140 Å²	140	90.3 Å²	90.3	65%	0.654	42%	0.422	S	S	*	.	H	α-helix	trans	-64.7	-34.8	176.7	-168.8	174.2	175.3	0	0	111.5	K195 T203	K195-E199 PolarHBondContact O-N 2.65Å; E199-T203 PolarHBondContact O-N 3.11Å; E199-T203 PolarHBondContact O-OG1 3.38Å
200	R	69.8	Low	71.1	Confident	87 Å²	87	87.6 Å²	87.6	33%	0.328	41%	0.411	S	S	.	.	H	α-helix	trans	-71.5	-33	177.8	-162.7	67.1	-171.7	134.1	5.1	113.3	Y196 I197 E198 T203 L204 E207	Y196-R200 WeakPolarHBondContact O-CB 2.97Å; Y196-R200 PolarHBondContact O-N 2.72Å; I197-R200 PolarHBondContact O-N 3.2Å; E198-R200 VanDerWaalsContact C-N 3.28Å; E198-R200 PolarHBondContact O-N 2.81Å; R200-T203 WeakPolarHBondContact CA-OG1 3.24Å; R200-T203 PolarHBondContact NH1-OG1 2.94Å; R200-T203 VanDerWaalsContact NH1-OG1 3.14Å; R200-T203 PolarHBondContact O-N 3.23Å; R200-T203 PolarHBondContact O-OG1 2.87Å; R200-L204 HydrophobicContact CG-CD1 4.39Å; R200-L204 WeakPolarHBondContact O-CB 3.16Å; R200-L204 PolarHBondContact O-N 3.45Å; R200-E207 IonicContact CZ-OE1 3.48Å; R200-E207 IonicContact NH1-OE1 2.98Å; R200-E207 PolarHBondContact NH1-OE1 3.36Å; R200-E207 IonicContact NH2-OE1 3.66Å; R200-E207 PolarHBondContact NH2-OE1 3.22Å; R200-E207 IonicContact NH2-OE2 3.93Å; R200-E207 PolarHBondContact NH2-OE2 3.01Å
201	L	73.6	Confident	70.9	Confident	21 Å²	21	86.9 Å²	86.9	11%	0.11	41%	0.408	C	S	.	.	H	α-helix	trans	-65	-37.9	177.2	-106.9	147.3	0	0	0	112.5	I197 E198 L204 F997 F1000 K1004	I197-L201 HydrophobicContact CG2-CD1 4.16Å; I197-L201 PolarHBondContact O-N 2.77Å; E198-L201 PolarHBondContact O-N 2.96Å; L201-L204 WeakPolarHBondContact O-CB 3.37Å; L201-L204 PolarHBondContact O-N 2.75Å; L201-F997 HydrophobicContact CD2-CD2 3.69Å; L201-F997 HydrophobicContact CD2-CE2 3.72Å; L201-F997 HydrophobicContact CD2-CG 4.35Å; L201-F997 HydrophobicContact CD2-CZ 4.41Å; L201-F1000 HydrophobicContact CD1-CB 4.35Å; L201-F1000 HydrophobicContact CG-CB 4.41Å; L201-K1004 HydrophobicContact CD1-CD 4.16Å
202	H	71.3	Confident	70.3	Confident	144 Å²	144	86.8 Å²	86.8	67%	0.667	42%	0.416	S	S	*	.	H	α-helix	trans	-69.9	-40.3	178	-170	-67	0	0	0	112.3	L204	H202-L204 PolarHBondContact O-N 3.49Å
203	T	71.8	Confident	70	Confident	53 Å²	53	84.7 Å²	84.7	33%	0.325	41%	0.407	S	S	.	.	H	α-helix	trans	-67	-25.8	176.1	49.6	0	0	0	0	112.9	E199 R200 E207	E199-T203 PolarHBondContact O-N 3.11Å; E199-T203 PolarHBondContact O-OG1 3.38Å; R200-T203 WeakPolarHBondContact CA-OG1 3.24Å; R200-T203 PolarHBondContact NH1-OG1 2.94Å; R200-T203 VanDerWaalsContact NH1-OG1 3.14Å; R200-T203 PolarHBondContact O-N 3.23Å; R200-T203 PolarHBondContact O-OG1 2.87Å; T203-E207 WeakPolarHBondContact O-CG 3.48Å; T203-E207 PolarHBondContact O-N 2.86Å
204	L	69.3	Low	69.8	Low	1 Å²	1	81.7 Å²	81.7	1%	0.005	39%	0.389	C	S	.	.	H	α-helix	trans	-71.6	-27.7	-177.8	-114	153.9	0	0	0	114.4	R200 L201 H202 N990 A993 Q996 F997 F1000	R200-L204 HydrophobicContact CG-CD1 4.39Å; R200-L204 WeakPolarHBondContact O-CB 3.16Å; R200-L204 PolarHBondContact O-N 3.45Å; L201-L204 WeakPolarHBondContact O-CB 3.37Å; L201-L204 PolarHBondContact O-N 2.75Å; H202-L204 PolarHBondContact O-N 3.49Å; L204-N990 WeakPolarHBondContact CD2-ND2 3.47Å; L204-A993 VanDerWaalsContact CD2-CA 3.42Å; L204-A993 HydrophobicContact CD2-CB 3.99Å; L204-A993 WeakPolarHBondContact CD2-O 3.48Å; L204-Q996 HydrophobicContact CD1-CB 4.26Å; L204-Q996 HydrophobicContact CD2-CB 3.88Å; L204-F997 HydrophobicContact CB-CD2 4.47Å; L204-F1000 HydrophobicContact CD1-CD2 3.77Å; L204-F1000 HydrophobicContact CD1-CE2 4.19Å
205	E	64.7	Low	69.3	Low	98 Å²	98	86.8 Å²	86.8	46%	0.458	41%	0.412	S	S	.	.	H	α-helix	trans	-69.2	-43.4	177.6	-167	81	-133.6	0	0	110.8	K208 F997	E205-K208 WeakPolarHBondContact O-CB 3.19Å; E205-K208 PolarHBondContact O-N 3.31Å; E205-F997 WeakPolarHBondContact OE2-CE2 3.49Å; E205-F997 WeakPolarHBondContact OE2-CZ 3.35Å
206	D	67.4	Low	68.8	Low	109 Å²	109	86.5 Å²	86.5	58%	0.583	41%	0.411	S	S	*	.	H	α-helix	trans	-68.4	-36.2	178.6	-66	-30.8	0	0	0	112.2	K208 E209	D206-K208 PolarHBondContact O-N 3.06Å; D206-E209 PolarHBondContact O-N 2.89Å
207	E	66.1	Low	68.7	Low	27 Å²	27	83.5 Å²	83.5	13%	0.126	40%	0.399	C	S	.	.	H	α-helix	trans	-67.7	-14.8	-179.4	-68.1	169.1	172.7	0	0	113.4	R200 T203 N990	R200-E207 IonicContact CZ-OE1 3.48Å; R200-E207 IonicContact NH1-OE1 2.98Å; R200-E207 PolarHBondContact NH1-OE1 3.36Å; R200-E207 IonicContact NH2-OE1 3.66Å; R200-E207 PolarHBondContact NH2-OE1 3.22Å; R200-E207 IonicContact NH2-OE2 3.93Å; R200-E207 PolarHBondContact NH2-OE2 3.01Å; T203-E207 WeakPolarHBondContact O-CG 3.48Å; T203-E207 PolarHBondContact O-N 2.86Å; E207-N990 HydrophobicContact CB-CB 3.47Å; E207-N990 VanDerWaalsContact CB-CB 3.47Å; E207-N990 HydrophobicContact CG-CB 4.21Å; E207-N990 PolarHBondContact O-N 3.38Å; E207-N990 WeakPolarHBondContact OE2-CB 3.43Å; E207-N990 PolarHBondContact OE2-ND2 3.38Å
208	K	66.7	Low	68.3	Low	100 Å²	100	83 Å²	83	44%	0.435	40%	0.397	S	S	.	.	H	α-helix	trans	-72	-35.3	178.3	179.2	-178.2	163	-172.6	0	112.6	E205 D206 L211 A993 L994	E205-K208 WeakPolarHBondContact O-CB 3.19Å; E205-K208 PolarHBondContact O-N 3.31Å; D206-K208 PolarHBondContact O-N 3.06Å; K208-L211 WeakPolarHBondContact O-CB 3.32Å; K208-L211 PolarHBondContact O-N 3.27Å; K208-A993 HydrophobicContact CB-CB 3.79Å; K208-A993 HydrophobicContact CG-CB 4.46Å; K208-L994 HydrophobicContact CD-CD1 4.43Å
209	E	62.7	Low	68.1	Low	173 Å²	173	84.7 Å²	84.7	81%	0.808	40%	0.402	S	S	*	.	H	α-helix	trans	-83.4	-35.2	-172.4	-154.4	167.4	-149.6	0	0	112	D206 L211	D206-E209 PolarHBondContact O-N 2.89Å; E209-L211 PolarHBondContact O-N 3.22Å; E209-L211 VanDerWaalsContact O-N 3.13Å
210	E	67.4	Low	67.8	Low	79 Å²	79	82 Å²	82	37%	0.369	39%	0.391	S	S	.	.	H	α-helix	trans	-58.9	-26.6	170.9	-64	-172.5	148.2	0	0	111.5	A212 Q213 V989	E210-A212 VanDerWaalsContact C-N 3.31Å; E210-A212 PolarHBondContact O-N 3.1Å; E210-Q213 PolarHBondContact O-N 3Å; E210-Q213 VanDerWaalsContact O-N 3.16Å; E210-V989 HydrophobicContact CB-CB 4.44Å; E210-V989 HydrophobicContact CB-CG1 3.05Å; E210-V989 HydrophobicContact CG-CG1 4.35Å; E210-V989 WeakPolarHBondContact O-CG1 3.49Å
211	L	66.4	Low	68.1	Low	39 Å²	39	80.5 Å²	80.5	20%	0.204	39%	0.385	C	S	.	.	H	α-helix	trans	-58.8	-39.4	-169.5	-170	77.6	0	0	0	114.1	K208 E209 Q213 Y214 Q215 V989 N990 K991	K208-L211 WeakPolarHBondContact O-CB 3.32Å; K208-L211 PolarHBondContact O-N 3.27Å; E209-L211 PolarHBondContact O-N 3.22Å; E209-L211 VanDerWaalsContact O-N 3.13Å; L211-Q213 VanDerWaalsContact C-N 3.25Å; L211-Q213 PolarHBondContact O-N 3.18Å; L211-Y214 PolarHBondContact O-N 3.26Å; L211-Q215 PolarHBondContact O-N 3.46Å; L211-V989 HydrophobicContact CD1-CB 4.07Å; L211-V989 VanDerWaalsContact N-CG1 3.26Å; L211-N990 WeakPolarHBondContact CD1-O 3.41Å; L211-K991 HydrophobicContact CD1-CB 3.95Å; L211-K991 HydrophobicContact CD1-CG 3.62Å
212	A	62.6	Low	67.9	Low	68 Å²	68	82.7 Å²	82.7	56%	0.562	39%	0.392	S	S	*	.	H	α-helix	trans	-63.7	-34.8	-176.3	0	0	0	0	0	111.5	E210 Q215	E210-A212 VanDerWaalsContact C-N 3.31Å; E210-A212 PolarHBondContact O-N 3.1Å; A212-Q215 PolarHBondContact O-N 3.24Å
213	Q	67.6	Low	67.7	Low	98 Å²	98	76.2 Å²	76.2	46%	0.458	36%	0.363	S	S	.	.	H	α-helix	trans	-78.5	-28	-176.3	-133.2	59.9	-78.9	0	0	113.4	E210 L211 Y986	E210-Q213 PolarHBondContact O-N 3Å; E210-Q213 VanDerWaalsContact O-N 3.16Å; L211-Q213 VanDerWaalsContact C-N 3.25Å; L211-Q213 PolarHBondContact O-N 3.18Å; Q213-Y986 HydrophobicContact CB-CD1 4.14Å; Q213-Y986 HydrophobicContact CB-CD2 4.31Å; Q213-Y986 HydrophobicContact CB-CE1 4.21Å; Q213-Y986 HydrophobicContact CB-CE2 4.37Å; Q213-Y986 HydrophobicContact CB-CG 4.19Å; Q213-Y986 HydrophobicContact CG-CD2 4.48Å; Q213-Y986 HydrophobicContact CG-CE1 4.32Å; Q213-Y986 HydrophobicContact CG-CE2 4.09Å
214	Y	66.9	Low	67.8	Low	33 Å²	33	73.8 Å²	73.8	13%	0.129	35%	0.348	C	S	.	.	H	α-helix	trans	-66.3	-38.4	171.7	168.4	-84.2	0	0	0	113.4	L211 K216 W217 D218 L983 Y986 V989 K991	L211-Y214 PolarHBondContact O-N 3.26Å; Y214-K216 PolarHBondContact O-N 3Å; Y214-K216 VanDerWaalsContact O-N 3.13Å; Y214-W217 PolarHBondContact O-N 2.95Å; Y214-D218 HydrophobicContact CD1-CB 4.3Å; Y214-D218 HydrophobicContact CE1-CB 3.84Å; Y214-D218 WeakPolarHBondContact O-CB 3.22Å; Y214-D218 PolarHBondContact O-N 3.03Å; Y214-L983 HydrophobicContact CD2-CD2 3.37Å; Y214-L983 HydrophobicContact CE2-CD2 3.68Å; Y214-L983 HydrophobicContact CG-CD2 4.05Å; Y214-Y986 WeakPolarHBondContact CD2-O 3.2Å; Y214-V989 HydrophobicContact CD1-CG2 4.4Å; Y214-V989 HydrophobicContact CD2-CG2 3.37Å; Y214-V989 HydrophobicContact CE2-CG2 4.07Å; Y214-V989 HydrophobicContact CG-CB 4.3Å; Y214-V989 HydrophobicContact CG-CG2 3.51Å; Y214-K991 HydrophobicContact CE1-CD 4.35Å; Y214-K991 VanDerWaalsContact CZ-NZ 3.33Å; Y214-K991 VanDerWaalsContact OH-CE 3.25Å; Y214-K991 WeakPolarHBondContact OH-CE 3.36Å; Y214-K991 PolarHBondContact OH-NZ 3.16Å
215	Q	66.7	Low	67.9	Low	122 Å²	122	74.9 Å²	74.9	57%	0.57	35%	0.353	S	S	*	.	H	α-helix	trans	-64.5	-23.5	-174.3	-157.5	164.4	6.4	0	0	113.3	L211 A212	L211-Q215 PolarHBondContact O-N 3.46Å; A212-Q215 PolarHBondContact O-N 3.24Å
216	K	67.8	Low	68.4	Low	152 Å²	152	72.3 Å²	72.3	66%	0.661	34%	0.34	S	S	*	.	H	α-helix	trans	-73.2	-49.1	174.5	-179.2	180	176.6	-179.2	0	112.5	Y214 D218	Y214-K216 PolarHBondContact O-N 3Å; Y214-K216 VanDerWaalsContact O-N 3.13Å; K216-D218 VanDerWaalsContact C-N 3.32Å
217	W	70.8	Confident	68.7	Low	83 Å²	83	67.2 Å²	67.2	31%	0.314	31%	0.312	S	S	.	.	H	α-helix	trans	-73.7	-26.4	179.1	-71.2	106.8	0	0	0	112.5	Y214 K219 M220 R221 E982 L983	Y214-W217 PolarHBondContact O-N 2.95Å; W217-K219 VanDerWaalsContact C-N 3.28Å; W217-K219 PolarHBondContact O-N 2.92Å; W217-M220 PolarHBondContact O-N 3Å; W217-M220 VanDerWaalsContact O-N 3.16Å; W217-R221 PolarHBondContact O-N 3.36Å; W217-E982 HydrophobicContact CD2-CB 3.83Å; W217-E982 HydrophobicContact CE3-CB 4.06Å; W217-E982 HydrophobicContact CG-CB 4.43Å; W217-E982 HydrophobicContact CH2-CB 3.99Å; W217-E982 HydrophobicContact CH2-CG 3.84Å; W217-E982 HydrophobicContact CZ2-CB 3.74Å; W217-E982 HydrophobicContact CZ2-CG 3.85Å; W217-E982 HydrophobicContact CZ3-CB 4.13Å; W217-E982 HydrophobicContact CZ3-CG 4.28Å; W217-L983 HydrophobicContact CB-CD1 4.13Å; W217-L983 HydrophobicContact CB-CD2 3.42Å; W217-L983 VanDerWaalsContact CB-CD2 3.42Å; W217-L983 HydrophobicContact CB-CG 3.44Å; W217-L983 VanDerWaalsContact CB-CG 3.44Å; W217-L983 HydrophobicContact CG-CG 4.45Å
218	D	66.7	Low	69.3	Low	18 Å²	18	66 Å²	66	10%	0.096	31%	0.307	C	S	.	.	H	α-helix	trans	-61.2	-35.3	175.7	-175.8	59.6	0	0	0	112.1	Y214 K216 M220 R221 R222	Y214-D218 HydrophobicContact CD1-CB 4.3Å; Y214-D218 HydrophobicContact CE1-CB 3.84Å; Y214-D218 WeakPolarHBondContact O-CB 3.22Å; Y214-D218 PolarHBondContact O-N 3.03Å; K216-D218 VanDerWaalsContact C-N 3.32Å; D218-M220 PolarHBondContact O-N 2.93Å; D218-R221 PolarHBondContact O-N 3.05Å; D218-R221 IonicContact OD1-CZ 2.66Å; D218-R221 IonicContact OD1-NE 2.8Å; D218-R221 PolarHBondContact OD1-NE 3.33Å; D218-R221 IonicContact OD1-NH2 3.83Å; D218-R221 PolarHBondContact OD1-NH2 3.14Å; D218-R222 WeakPolarHBondContact O-CD 3.28Å; D218-R222 WeakPolarHBondContact O-CG 3.46Å; D218-R222 PolarHBondContact O-N 3.27Å
219	K	68.6	Low	69.8	Low	134 Å²	134	62.6 Å²	62.6	58%	0.583	29%	0.291	S	S	*	.	H	α-helix	trans	-63.8	-39.2	175	-70.7	179.3	-179.2	179.7	0	112.8	W217	W217-K219 VanDerWaalsContact C-N 3.28Å; W217-K219 PolarHBondContact O-N 2.92Å
220	M	69.3	Low	70.4	Confident	84 Å²	84	56.8 Å²	56.8	41%	0.414	27%	0.266	S	S	.	.	H	α-helix	trans	-72.5	-39	177.9	-171.4	64.2	70.7	0	0	111.5	W217 D218 R222 A223	W217-M220 PolarHBondContact O-N 3Å; W217-M220 VanDerWaalsContact O-N 3.16Å; D218-M220 PolarHBondContact O-N 2.93Å; M220-R222 PolarHBondContact O-N 3.14Å; M220-A223 PolarHBondContact O-N 2.61Å
221	R	75.1	Confident	70.8	Confident	54 Å²	54	56.2 Å²	56.2	20%	0.204	26%	0.263	C	S	.	.	H	α-helix	trans	-57.2	-47.4	173	-177.2	-175.6	67.5	91.4	14.1	111.5	W217 D218 A223 L224 E225 L976 N980 L983	W217-R221 PolarHBondContact O-N 3.36Å; D218-R221 PolarHBondContact O-N 3.05Å; D218-R221 IonicContact OD1-CZ 2.66Å; D218-R221 IonicContact OD1-NE 2.8Å; D218-R221 PolarHBondContact OD1-NE 3.33Å; D218-R221 IonicContact OD1-NH2 3.83Å; D218-R221 PolarHBondContact OD1-NH2 3.14Å; R221-A223 PolarHBondContact O-N 3.16Å; R221-L224 PolarHBondContact O-N 3.15Å; R221-L224 VanDerWaalsContact O-N 3.13Å; R221-E225 IonicContact CZ-OE2 3.46Å; R221-E225 IonicContact NE-OE2 2.91Å; R221-E225 IonicContact NH1-OE1 2.83Å; R221-E225 PolarHBondContact NH1-OE1 3.23Å; R221-E225 VanDerWaalsContact NH1-OE1 3.1Å; R221-E225 IonicContact NH1-OE2 2.93Å; R221-E225 PolarHBondContact NH1-OE2 2.88Å; R221-E225 IonicContact NH2-OE2 3.83Å; R221-E225 WeakPolarHBondContact O-CB 3.39Å; R221-E225 PolarHBondContact O-N 3.32Å; R221-L976 HydrophobicContact CG-CD1 3.85Å; R221-N980 WeakPolarHBondContact CD-OD1 3.24Å; R221-L983 HydrophobicContact CB-CD1 3.59Å; R221-L983 HydrophobicContact CG-CD1 4.04Å
222	R	69.3	Low	71.2	Confident	68 Å²	68	57.1 Å²	57.1	26%	0.257	27%	0.266	S	S	.	.	H	α-helix	trans	-56.7	-34.3	-177.6	-75.2	166.2	62.2	179.5	-2.8	113.7	D218 M220 Y226 L953	D218-R222 WeakPolarHBondContact O-CD 3.28Å; D218-R222 WeakPolarHBondContact O-CG 3.46Å; D218-R222 PolarHBondContact O-N 3.27Å; M220-R222 PolarHBondContact O-N 3.14Å; R222-Y226 PolarHBondContact O-N 3.39Å; R222-L953 HydrophobicContact CB-CD2 3.79Å; R222-L953 HydrophobicContact CG-CD2 3.7Å; R222-L953 PolarHBondContact NE-O 3.01Å; R222-L953 PolarHBondContact NH2-O 3.23Å
223	A	68.6	Low	72	Confident	8 Å²	8	54.4 Å²	54.4	7%	0.066	24%	0.242	C	C	.	.	H	α-helix	trans	-72	-39.7	177.9	0	0	0	0	0	113.1	M220 R221 A960	M220-A223 PolarHBondContact O-N 2.61Å; R221-A223 PolarHBondContact O-N 3.16Å; A223-A960 HydrophobicContact CB-CB 3.84Å
224	L	73.4	Confident	72.4	Confident	2 Å²	2	53.9 Å²	53.9	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-75.9	-30.7	176.8	-70.9	170.6	0	0	0	112.6	R221 T227 I228 Y964 L972 K975 L976	R221-L224 PolarHBondContact O-N 3.15Å; R221-L224 VanDerWaalsContact O-N 3.13Å; L224-T227 PolarHBondContact O-OG1 3.05Å; L224-I228 WeakPolarHBondContact O-CD1 3.18Å; L224-I228 WeakPolarHBondContact O-CG1 3.4Å; L224-I228 PolarHBondContact O-N 3.08Å; L224-Y964 HydrophobicContact CD2-CD1 3.57Å; L224-Y964 HydrophobicContact CD2-CD2 4.19Å; L224-Y964 HydrophobicContact CD2-CE1 3.92Å; L224-Y964 HydrophobicContact CD2-CE2 4.48Å; L224-Y964 HydrophobicContact CD2-CG 3.73Å; L224-L972 HydrophobicContact CD2-CD2 4.09Å; L224-K975 HydrophobicContact CD1-CB 4.13Å; L224-K975 HydrophobicContact CD2-CB 4.47Å; L224-L976 HydrophobicContact CB-CB 4.49Å; L224-L976 HydrophobicContact CB-CD1 4.1Å
225	E	71.5	Confident	73	Confident	23 Å²	23	56.7 Å²	56.7	11%	0.107	26%	0.257	C	S	.	.	H	α-helix	trans	-67.5	-37.8	177.1	-124.5	179.3	156.4	0	0	112.2	R221 T227 I228 Y229 L953	R221-E225 IonicContact CZ-OE2 3.46Å; R221-E225 IonicContact NE-OE2 2.91Å; R221-E225 IonicContact NH1-OE1 2.83Å; R221-E225 PolarHBondContact NH1-OE1 3.23Å; R221-E225 VanDerWaalsContact NH1-OE1 3.1Å; R221-E225 IonicContact NH1-OE2 2.93Å; R221-E225 PolarHBondContact NH1-OE2 2.88Å; R221-E225 IonicContact NH2-OE2 3.83Å; R221-E225 WeakPolarHBondContact O-CB 3.39Å; R221-E225 PolarHBondContact O-N 3.32Å; E225-T227 PolarHBondContact O-N 3.4Å; E225-I228 PolarHBondContact O-N 3.21Å; E225-Y229 HydrophobicContact CB-CD2 4.22Å; E225-Y229 HydrophobicContact CB-CE2 3.92Å; E225-Y229 HydrophobicContact CG-CD2 4.09Å; E225-Y229 HydrophobicContact CG-CE2 3.39Å; E225-Y229 WeakPolarHBondContact O-CB 3.47Å; E225-Y229 WeakPolarHBondContact O-CD2 3.48Å; E225-Y229 PolarHBondContact O-N 3.49Å; E225-Y229 WeakPolarHBondContact OE1-CE2 3.13Å; E225-Y229 VanDerWaalsContact OE1-CZ 3.27Å; E225-Y229 PolarHBondContact OE1-OH 3.04Å; E225-L953 HydrophobicContact CB-CD1 4.45Å; E225-L953 HydrophobicContact CB-CD2 4.35Å
226	Y	75.8	Confident	73.6	Confident	45 Å²	45	51.6 Å²	51.6	18%	0.176	23%	0.234	C	C	.	.	H	α-helix	trans	-57	-48	177.6	177.2	-96.2	0	0	0	112	R222 N230 I950 L953 L956 F961	R222-Y226 PolarHBondContact O-N 3.39Å; Y226-N230 WeakPolarHBondContact O-CB 3.35Å; Y226-N230 PolarHBondContact O-N 3.2Å; Y226-N230 VanDerWaalsContact O-N 3.11Å; Y226-I950 HydrophobicContact CD2-CG2 4.12Å; Y226-I950 HydrophobicContact CE2-CG2 3.69Å; Y226-L953 HydrophobicContact CD2-CD1 4.23Å; Y226-L956 HydrophobicContact CD2-CD1 4.33Å; Y226-L956 HydrophobicContact CD2-CD2 3.95Å; Y226-L956 HydrophobicContact CE2-CD1 4.33Å; Y226-L956 HydrophobicContact CG-CD2 3.93Å; Y226-F961 HydrophobicContact CE1-CD1 4.35Å; Y226-F961 AromaticContact CE1-CE1 3.94Å; Y226-F961 HydrophobicContact CE1-CE1 3.94Å; Y226-F961 AromaticContact CZ-CE1 3.9Å
227	T	73.9	Confident	74.1	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.006	22%	0.223	C	C	.	.	H	α-helix	trans	-69.6	-34.1	-177.7	54.6	0	0	0	0	112.3	L224 E225 Q231	L224-T227 PolarHBondContact O-OG1 3.05Å; E225-T227 PolarHBondContact O-N 3.4Å; T227-Q231 PolarHBondContact O-N 3.35Å
228	I	77.2	Confident	74.5	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.015	23%	0.228	C	C	.	.	H	α-helix	trans	-68.8	-49.9	174.7	-70.1	165.7	0	0	0	111.1	L224 E225 N230 Q231 E232 L972 F973 L976	L224-I228 WeakPolarHBondContact O-CD1 3.18Å; L224-I228 WeakPolarHBondContact O-CG1 3.4Å; L224-I228 PolarHBondContact O-N 3.08Å; E225-I228 PolarHBondContact O-N 3.21Å; I228-N230 PolarHBondContact O-N 3.29Å; I228-Q231 PolarHBondContact O-N 3.46Å; I228-E232 HydrophobicContact CG2-CG 4.31Å; I228-E232 PolarHBondContact O-N 3.25Å; I228-L972 HydrophobicContact CD1-CB 4.01Å; I228-L972 HydrophobicContact CG1-CB 3.83Å; I228-L972 HydrophobicContact CG1-CD1 4.29Å; I228-F973 HydrophobicContact CD1-CD1 4.14Å; I228-F973 HydrophobicContact CD1-CE1 4.19Å; I228-F973 HydrophobicContact CG2-CE1 3.97Å; I228-F973 HydrophobicContact CG2-CZ 3.76Å; I228-L976 HydrophobicContact CD1-CB 3.96Å; I228-L976 HydrophobicContact CD1-CD2 3.46Å; I228-L976 VanDerWaalsContact CD1-CD2 3.46Å; I228-L976 HydrophobicContact CD1-CG 4.22Å
229	Y	76.6	Confident	75	Confident	28 Å²	28	51.6 Å²	51.6	11%	0.11	24%	0.242	C	C	.	.	H	α-helix	trans	-62	-30.6	-179.9	-70.5	-38.5	0	0	0	112.9	E225 L233 K949 L953	E225-Y229 HydrophobicContact CB-CD2 4.22Å; E225-Y229 HydrophobicContact CB-CE2 3.92Å; E225-Y229 HydrophobicContact CG-CD2 4.09Å; E225-Y229 HydrophobicContact CG-CE2 3.39Å; E225-Y229 WeakPolarHBondContact O-CB 3.47Å; E225-Y229 WeakPolarHBondContact O-CD2 3.48Å; E225-Y229 PolarHBondContact O-N 3.49Å; E225-Y229 WeakPolarHBondContact OE1-CE2 3.13Å; E225-Y229 VanDerWaalsContact OE1-CZ 3.27Å; E225-Y229 PolarHBondContact OE1-OH 3.04Å; Y229-L233 WeakPolarHBondContact O-CB 3.45Å; Y229-L233 PolarHBondContact O-N 3.15Å; Y229-K949 HydrophobicContact CD2-CB 4.04Å; Y229-K949 HydrophobicContact CD2-CD 4.44Å; Y229-K949 HydrophobicContact CE1-CD 4.03Å; Y229-K949 HydrophobicContact CE2-CB 3.96Å; Y229-K949 HydrophobicContact CE2-CD 3.81Å; Y229-K949 HydrophobicContact CE2-CG 4.44Å; Y229-K949 PolarHBondContact OH-NZ 3.22Å; Y229-L953 HydrophobicContact CD2-CD1 4.23Å
230	N	75.6	Confident	75.6	Confident	51 Å²	51	46 Å²	46	27%	0.273	22%	0.218	S	C	.	.	H	α-helix	trans	-67.9	-37.1	174.9	-161	12.2	0	0	0	112.2	Y226 I228 N234	Y226-N230 WeakPolarHBondContact O-CB 3.35Å; Y226-N230 PolarHBondContact O-N 3.2Å; Y226-N230 VanDerWaalsContact O-N 3.11Å; I228-N230 PolarHBondContact O-N 3.29Å; N230-N234 PolarHBondContact O-ND2 3.06Å
231	Q	75.8	Confident	76	Confident	66 Å²	66	47.2 Å²	47.2	31%	0.308	23%	0.227	S	C	.	.	H	α-helix	trans	-72.5	-40.8	174.1	-68.7	-165.7	4.3	0	0	112.3	T227 I228 L233 N234 E235 L969	T227-Q231 PolarHBondContact O-N 3.35Å; I228-Q231 PolarHBondContact O-N 3.46Å; Q231-L233 VanDerWaalsContact C-N 3.32Å; Q231-L233 PolarHBondContact O-N 3Å; Q231-N234 PolarHBondContact O-N 3.28Å; Q231-E235 PolarHBondContact O-N 3.23Å; Q231-L969 HydrophobicContact CB-CD1 3.63Å; Q231-L969 HydrophobicContact CG-CD1 4.44Å
232	E	74.6	Confident	76.2	Confident	59 Å²	59	50.3 Å²	50.3	28%	0.276	24%	0.244	S	C	.	.	H	α-helix	trans	-64.8	-34	175.9	-70.8	-172.5	162.1	0	0	113.1	I228 N234 E235 T236	I228-E232 HydrophobicContact CG2-CG 4.31Å; I228-E232 PolarHBondContact O-N 3.25Å; E232-N234 VanDerWaalsContact C-N 3.26Å; E232-N234 PolarHBondContact O-N 3.37Å; E232-E235 PolarHBondContact O-N 3.49Å; E232-T236 WeakPolarHBondContact O-CB 3.24Å; E232-T236 PolarHBondContact O-N 3.07Å; E232-T236 PolarHBondContact O-OG1 2.77Å
233	L	79.3	Confident	76.6	Confident	10 Å²	10	48.1 Å²	48.1	5%	0.052	24%	0.237	C	C	.	.	H	α-helix	trans	-60.7	-39.2	175	-177.9	159.3	0	0	0	111	Y229 Q231 T236 R237 C946 M947 I950	Y229-L233 WeakPolarHBondContact O-CB 3.45Å; Y229-L233 PolarHBondContact O-N 3.15Å; Q231-L233 VanDerWaalsContact C-N 3.32Å; Q231-L233 PolarHBondContact O-N 3Å; L233-T236 PolarHBondContact O-N 2.7Å; L233-R237 VanDerWaalsContact CD2-NE 3.34Å; L233-R237 WeakPolarHBondContact O-CG 3.38Å; L233-R237 PolarHBondContact O-N 3.28Å; L233-R237 VanDerWaalsContact O-N 3.13Å; L233-C946 HydrophobicContact CB-CB 4.28Å; L233-C946 HydrophobicContact CD1-CB 4.5Å; L233-M947 HydrophobicContact CD1-CB 4.47Å; L233-M947 HydrophobicContact CD1-CG 3.32Å; L233-M947 HydrophobicContact CD1-SD 4.3Å; L233-M947 HydrophobicContact CG-CG 4.43Å; L233-I950 HydrophobicContact CD1-CD1 3.9Å
234	N	77.4	Confident	76.9	Confident	88 Å²	88	50.4 Å²	50.4	47%	0.471	25%	0.252	S	S	.	.	H	α-helix	trans	-70	-39	177.3	-66	-29.4	0	0	0	111.8	N230 Q231 E232 R237 A238	N230-N234 PolarHBondContact O-ND2 3.06Å; Q231-N234 PolarHBondContact O-N 3.28Å; E232-N234 VanDerWaalsContact C-N 3.26Å; E232-N234 PolarHBondContact O-N 3.37Å; N234-R237 PolarHBondContact O-N 3.23Å; N234-A238 PolarHBondContact O-N 3.28Å
235	E	79.6	Confident	77	Confident	92 Å²	92	53.3 Å²	53.3	43%	0.43	27%	0.273	S	S	.	.	H	α-helix	trans	-66.2	-39.1	174.1	-167.5	-169.5	160.6	0	0	112.3	Q231 E232 R237 A238 K239	Q231-E235 PolarHBondContact O-N 3.23Å; E232-E235 PolarHBondContact O-N 3.49Å; E235-R237 VanDerWaalsContact C-N 3.3Å; E235-R237 PolarHBondContact O-N 3.41Å; E235-A238 PolarHBondContact O-N 3.1Å; E235-K239 PolarHBondContact O-N 3.43Å; E235-K239 VanDerWaalsContact O-N 3.09Å; E235-K239 WeakPolarHBondContact OE1-CE 3.5Å; E235-K239 IonicContact OE1-NZ 3.74Å; E235-K239 PolarHBondContact OE1-NZ 3.42Å
236	T	78.4	Confident	77.2	Confident	15 Å²	15	57.8 Å²	57.8	9%	0.092	29%	0.292	C	S	.	.	H	α-helix	trans	-66.3	-33.6	178.7	-55.6	0	0	0	0	111.7	E232 L233 K239 L240 L939 K942 K943	E232-T236 WeakPolarHBondContact O-CB 3.24Å; E232-T236 PolarHBondContact O-N 3.07Å; E232-T236 PolarHBondContact O-OG1 2.77Å; L233-T236 PolarHBondContact O-N 2.7Å; T236-K239 PolarHBondContact O-N 3.49Å; T236-L240 WeakPolarHBondContact O-CG 3.47Å; T236-L240 PolarHBondContact O-N 2.84Å; T236-L240 VanDerWaalsContact O-N 3.12Å; T236-L939 HydrophobicContact CG2-CB 4.4Å; T236-L939 HydrophobicContact CG2-CD2 4.11Å; T236-L939 WeakPolarHBondContact CG2-O 3.39Å; T236-K942 HydrophobicContact CG2-CB 4.49Å; T236-K943 HydrophobicContact CG2-CB 4.1Å
237	R	79.2	Confident	77.1	Confident	110 Å²	110	61.4 Å²	61.4	42%	0.415	31%	0.305	S	S	.	.	H	α-helix	trans	-61.4	-48.5	171.9	-75.1	176.4	-179.2	-171.6	-1.4	111.1	L233 N234 E235 K239 L240 D241 K943	L233-R237 VanDerWaalsContact CD2-NE 3.34Å; L233-R237 WeakPolarHBondContact O-CG 3.38Å; L233-R237 PolarHBondContact O-N 3.28Å; L233-R237 VanDerWaalsContact O-N 3.13Å; N234-R237 PolarHBondContact O-N 3.23Å; E235-R237 VanDerWaalsContact C-N 3.3Å; E235-R237 PolarHBondContact O-N 3.41Å; R237-K239 VanDerWaalsContact C-N 3.35Å; R237-K239 PolarHBondContact O-N 3.17Å; R237-L240 WeakPolarHBondContact O-CB 3.48Å; R237-L240 PolarHBondContact O-N 3.11Å; R237-L240 VanDerWaalsContact O-N 3.15Å; R237-D241 PolarHBondContact O-N 3.39Å; R237-K943 HydrophobicContact CG-CD 4.34Å
238	A	79.1	Confident	77	Confident	52 Å²	52	68.3 Å²	68.3	43%	0.43	34%	0.337	S	S	.	.	H	α-helix	trans	-60.5	-40.4	178	0	0	0	0	0	113.2	N234 E235 L240 D241 E242	N234-A238 PolarHBondContact O-N 3.28Å; E235-A238 PolarHBondContact O-N 3.1Å; A238-L240 VanDerWaalsContact C-N 3.33Å; A238-L240 PolarHBondContact O-N 3.45Å; A238-D241 PolarHBondContact O-N 3.48Å; A238-E242 PolarHBondContact O-N 2.75Å
239	K	77.8	Confident	76.9	Confident	91 Å²	91	72.2 Å²	72.2	40%	0.396	36%	0.361	S	S	.	.	H	α-helix	trans	-67.8	-28.8	176.8	-72.2	177.4	-175.3	165.9	0	113.9	E235 T236 R237 D241 L243	E235-K239 PolarHBondContact O-N 3.43Å; E235-K239 VanDerWaalsContact O-N 3.09Å; E235-K239 WeakPolarHBondContact OE1-CE 3.5Å; E235-K239 IonicContact OE1-NZ 3.74Å; E235-K239 PolarHBondContact OE1-NZ 3.42Å; T236-K239 PolarHBondContact O-N 3.49Å; R237-K239 VanDerWaalsContact C-N 3.35Å; R237-K239 PolarHBondContact O-N 3.17Å; K239-D241 VanDerWaalsContact C-N 3.34Å; K239-L243 PolarHBondContact O-N 2.71Å
240	L	79.5	Confident	76.7	Confident	15 Å²	15	71.7 Å²	71.7	8%	0.079	36%	0.362	C	S	.	.	H	α-helix	trans	-68.7	-37.8	174.8	-79.4	165.9	0	0	0	111	T236 R237 A238 L243 S244 Q936 L939 L940 K943	T236-L240 WeakPolarHBondContact O-CG 3.47Å; T236-L240 PolarHBondContact O-N 2.84Å; T236-L240 VanDerWaalsContact O-N 3.12Å; R237-L240 WeakPolarHBondContact O-CB 3.48Å; R237-L240 PolarHBondContact O-N 3.11Å; R237-L240 VanDerWaalsContact O-N 3.15Å; A238-L240 VanDerWaalsContact C-N 3.33Å; A238-L240 PolarHBondContact O-N 3.45Å; L240-L243 PolarHBondContact O-N 3.19Å; L240-S244 PolarHBondContact O-N 3.47Å; L240-S244 VanDerWaalsContact O-N 3.14Å; L240-Q936 HydrophobicContact CD2-CG 3.99Å; L240-L939 HydrophobicContact CD2-CB 3.57Å; L240-L939 HydrophobicContact CD2-CD1 4.45Å; L240-L939 HydrophobicContact CG-CB 4.02Å; L240-L940 HydrophobicContact CD1-CD2 3.77Å; L240-L940 HydrophobicContact CD1-CG 4.36Å; L240-L940 HydrophobicContact CD2-CD2 4.13Å; L240-L940 HydrophobicContact CD2-CG 3.92Å; L240-K943 HydrophobicContact CD1-CB 4.48Å; L240-K943 HydrophobicContact CD1-CD 3.86Å
241	D	78.3	Confident	76.6	Confident	110 Å²	110	71.2 Å²	71.2	59%	0.588	37%	0.369	S	S	*	.	H	α-helix	trans	-67	-41.8	178	-59.6	-24.7	0	0	0	110.8	R237 A238 K239 L243 S244 S245	R237-D241 PolarHBondContact O-N 3.39Å; A238-D241 PolarHBondContact O-N 3.48Å; K239-D241 VanDerWaalsContact C-N 3.34Å; D241-L243 VanDerWaalsContact C-N 3.31Å; D241-L243 PolarHBondContact O-N 2.97Å; D241-S244 PolarHBondContact O-N 2.87Å; D241-S244 PolarHBondContact O-OG 3.35Å; D241-S245 PolarHBondContact O-N 3.45Å
242	E	79.1	Confident	76.5	Confident	120 Å²	120	73.2 Å²	73.2	56%	0.561	38%	0.382	S	S	*	.	H	α-helix	trans	-63.6	-31.3	173	-71.5	-179.2	-173.6	0	0	114.3	A238 S244 S245 K246	A238-E242 PolarHBondContact O-N 2.75Å; E242-S244 VanDerWaalsContact C-N 3.34Å; E242-S245 PolarHBondContact O-OG 3.18Å; E242-K246 PolarHBondContact O-N 3.42Å
243	L	78.6	Confident	76.6	Confident	21 Å²	21	76.4 Å²	76.4	11%	0.11	39%	0.394	C	S	.	.	H	α-helix	trans	-75.7	-29.2	179.3	-152.7	95.6	0	0	0	111.5	K239 L240 D241 R247 M932 Q936	K239-L243 PolarHBondContact O-N 2.71Å; L240-L243 PolarHBondContact O-N 3.19Å; D241-L243 VanDerWaalsContact C-N 3.31Å; D241-L243 PolarHBondContact O-N 2.97Å; L243-R247 PolarHBondContact O-N 2.65Å; L243-M932 WeakPolarHBondContact CD2-O 3.36Å; L243-Q936 HydrophobicContact CD2-CB 3.45Å; L243-Q936 VanDerWaalsContact CD2-CB 3.45Å; L243-Q936 HydrophobicContact CD2-CG 3.94Å
244	S	75.3	Confident	76.4	Confident	56 Å²	56	76.3 Å²	76.3	39%	0.392	40%	0.395	S	S	.	.	H	α-helix	trans	-65.4	-43.1	176.7	73.6	0	0	0	0	112	L240 D241 E242 K246 R247 E248	L240-S244 PolarHBondContact O-N 3.47Å; L240-S244 VanDerWaalsContact O-N 3.14Å; D241-S244 PolarHBondContact O-N 2.87Å; D241-S244 PolarHBondContact O-OG 3.35Å; E242-S244 VanDerWaalsContact C-N 3.34Å; S244-K246 PolarHBondContact O-N 2.85Å; S244-R247 WeakPolarHBondContact O-CB 3.39Å; S244-R247 PolarHBondContact O-N 3.46Å; S244-E248 PolarHBondContact O-N 3.41Å
245	S	75.6	Confident	76.4	Confident	63 Å²	63	80.6 Å²	80.6	44%	0.441	41%	0.405	S	S	.	.	H	α-helix	trans	-67.5	-34.5	177.4	62.8	0	0	0	0	113.3	D241 E242 R247 E248	D241-S245 PolarHBondContact O-N 3.45Å; E242-S245 PolarHBondContact O-OG 3.18Å; S245-R247 VanDerWaalsContact C-N 3.33Å; S245-R247 PolarHBondContact O-N 2.74Å; S245-E248 PolarHBondContact O-N 3.22Å
246	K	75.2	Confident	76.5	Confident	118 Å²	118	82.8 Å²	82.8	51%	0.513	42%	0.415	S	S	.	.	H	α-helix	trans	-66.6	-33.5	173.6	-72.3	178.5	-177.5	171.9	0	112.6	E242 S244 T249 C250	E242-K246 PolarHBondContact O-N 3.42Å; S244-K246 PolarHBondContact O-N 2.85Å; K246-T249 PolarHBondContact O-N 3.44Å; K246-T249 PolarHBondContact O-OG1 2.86Å; K246-C250 PolarHBondContact O-N 2.59Å
247	R	73.3	Confident	76.7	Confident	120 Å²	120	84 Å²	84	45%	0.453	42%	0.42	S	S	.	.	H	α-helix	trans	-66.5	-37.5	178.6	-170.8	176.1	176.1	176.2	-6.2	112.1	L243 S244 S245 C250 G251 Q936	L243-R247 PolarHBondContact O-N 2.65Å; S244-R247 WeakPolarHBondContact O-CB 3.39Å; S244-R247 PolarHBondContact O-N 3.46Å; S245-R247 VanDerWaalsContact C-N 3.33Å; S245-R247 PolarHBondContact O-N 2.74Å; R247-C250 PolarHBondContact O-N 3.49Å; R247-G251 PolarHBondContact O-N 3.22Å; R247-Q936 VanDerWaalsContact NH1-OE1 3.1Å
248	E	71.8	Confident	76.7	Confident	146 Å²	146	85.7 Å²	85.7	68%	0.682	43%	0.427	S	S	*	.	H	α-helix	trans	-60.7	-46.5	176.3	-69.8	177.6	170.1	0	0	111.2	S244 S245 C250 G251	S244-E248 PolarHBondContact O-N 3.41Å; S245-E248 PolarHBondContact O-N 3.22Å; E248-C250 VanDerWaalsContact C-N 3.33Å; E248-C250 PolarHBondContact O-N 3.06Å; E248-G251 PolarHBondContact O-N 2.89Å; E248-G251 VanDerWaalsContact O-N 3.11Å
249	T	75.3	Confident	76.9	Confident	85 Å²	85	87.6 Å²	87.6	52%	0.521	43%	0.43	S	S	.	.	H	α-helix	trans	-67.2	-24.5	179.2	58.5	0	0	0	0	115.3	K246	K246-T249 PolarHBondContact O-N 3.44Å; K246-T249 PolarHBondContact O-OG1 2.86Å
250	C	73.3	Confident	77.1	Confident	18 Å²	18	85 Å²	85	12%	0.122	43%	0.426	C	S	.	.	H	α-helix	trans	-77.4	-26.9	172.5	-86.8	0	0	0	0	112.8	K246 R247 E248 D252 K253 S254 L929 M932	K246-C250 PolarHBondContact O-N 2.59Å; R247-C250 PolarHBondContact O-N 3.49Å; E248-C250 VanDerWaalsContact C-N 3.33Å; E248-C250 PolarHBondContact O-N 3.06Å; C250-D252 VanDerWaalsContact C-N 3.31Å; C250-D252 PolarHBondContact O-N 3.43Å; C250-K253 PolarHBondContact O-N 3.07Å; C250-S254 PolarHBondContact O-N 3.17Å; C250-S254 VanDerWaalsContact O-N 3.09Å; C250-L929 HydrophobicContact CB-CD2 3.88Å; C250-M932 HydrophobicContact CB-CE 4.41Å
251	G	72.3	Confident	77.4	Confident	40 Å²	40	86.8 Å²	86.8	41%	0.412	43%	0.433	S	S	.	.	H	α-helix	trans	-58.6	-42.4	175.2	0	0	0	0	0	112.6	R247 E248 S254 R255	R247-G251 PolarHBondContact O-N 3.22Å; E248-G251 PolarHBondContact O-N 2.89Å; E248-G251 VanDerWaalsContact O-N 3.11Å; G251-S254 PolarHBondContact O-N 3.11Å; G251-R255 PolarHBondContact O-N 3.49Å
252	D	74.4	Confident	77.5	Confident	108 Å²	108	87 Å²	87	58%	0.578	43%	0.431	S	S	*	.	H	α-helix	trans	-67.6	-37.2	180	-68.4	-30.9	0	0	0	113	C250 R255 Q256	C250-D252 VanDerWaalsContact C-N 3.31Å; C250-D252 PolarHBondContact O-N 3.43Å; D252-R255 PolarHBondContact O-N 2.72Å; D252-Q256 PolarHBondContact O-N 2.79Å
253	K	75.9	Confident	77.8	Confident	126 Å²	126	86 Å²	86	55%	0.548	43%	0.429	S	S	.	.	H	α-helix	trans	-67.6	-40.6	175.4	-69.7	-179.4	-178.5	176	0	112	C250 R255 Q256 L257	C250-K253 PolarHBondContact O-N 3.07Å; K253-R255 PolarHBondContact O-N 2.84Å; K253-Q256 PolarHBondContact O-N 2.81Å; K253-L257 WeakPolarHBondContact O-CG 3.11Å; K253-L257 PolarHBondContact O-N 2.88Å; K253-L257 VanDerWaalsContact O-N 3.14Å
254	S	74.5	Confident	78.1	Confident	9 Å²	9	85.1 Å²	85.1	6%	0.063	43%	0.425	C	S	.	.	H	α-helix	trans	-62.1	-34.1	177.2	-162.8	0	0	0	0	112	C250 G251 R258	C250-S254 PolarHBondContact O-N 3.17Å; C250-S254 VanDerWaalsContact O-N 3.09Å; G251-S254 PolarHBondContact O-N 3.11Å; S254-R258 WeakPolarHBondContact O-CG 3.34Å; S254-R258 PolarHBondContact O-N 3.21Å
255	R	77.9	Confident	78.5	Confident	178 Å²	178	87.6 Å²	87.6	67%	0.672	43%	0.426	S	S	*	.	H	α-helix	trans	-66.9	-47.2	175.9	-168.1	175.3	-179.4	172.3	2	112.1	G251 D252 K253 L257 R258 D259	G251-R255 PolarHBondContact O-N 3.49Å; D252-R255 PolarHBondContact O-N 2.72Å; K253-R255 PolarHBondContact O-N 2.84Å; R255-L257 VanDerWaalsContact C-N 3.32Å; R255-L257 PolarHBondContact O-N 3.36Å; R255-R258 PolarHBondContact O-N 3.4Å; R255-D259 PolarHBondContact O-N 2.86Å; R255-D259 VanDerWaalsContact O-N 3.1Å
256	Q	82	Confident	78.9	Confident	138 Å²	138	88.5 Å²	88.5	65%	0.645	43%	0.425	S	S	*	.	H	α-helix	trans	-60.8	-38.3	178.1	-69.2	176.5	-3.6	0	0	112.9	D252 K253 A260	D252-Q256 PolarHBondContact O-N 2.79Å; K253-Q256 PolarHBondContact O-N 2.81Å; Q256-A260 PolarHBondContact O-N 2.99Å; Q256-A260 VanDerWaalsContact O-N 3.14Å
257	L	82.3	Confident	79.5	Confident	39 Å²	39	86.8 Å²	86.8	20%	0.204	42%	0.418	C	S	.	.	H	α-helix	trans	-68	-35.1	177.3	-69.6	171.3	0	0	0	112.6	K253 R255 Q261 A921 I922	K253-L257 WeakPolarHBondContact O-CG 3.11Å; K253-L257 PolarHBondContact O-N 2.88Å; K253-L257 VanDerWaalsContact O-N 3.14Å; R255-L257 VanDerWaalsContact C-N 3.32Å; R255-L257 PolarHBondContact O-N 3.36Å; L257-Q261 WeakPolarHBondContact O-CB 3.3Å; L257-Q261 PolarHBondContact O-N 3.37Å; L257-A921 HydrophobicContact CD1-CB 4.4Å; L257-A921 HydrophobicContact CD2-CB 4.21Å; L257-I922 HydrophobicContact CB-CD1 4.37Å; L257-I922 HydrophobicContact CB-CG1 3.79Å; L257-I922 HydrophobicContact CD1-CG1 4.49Å
258	R	79.1	Confident	80	Confident	146 Å²	146	81.6 Å²	81.6	55%	0.551	40%	0.4	S	S	*	.	H	α-helix	trans	-69.5	-41.1	175.9	-73.2	-179.5	-156.6	-149.6	3.8	112.3	S254 R255 A260 Q261 Q262 I922	S254-R258 WeakPolarHBondContact O-CG 3.34Å; S254-R258 PolarHBondContact O-N 3.21Å; R255-R258 PolarHBondContact O-N 3.4Å; R258-A260 VanDerWaalsContact C-N 3.34Å; R258-Q261 WeakPolarHBondContact O-CB 3.2Å; R258-Q261 PolarHBondContact O-N 2.78Å; R258-Q262 PolarHBondContact O-N 2.99Å; R258-I922 HydrophobicContact CG-CD1 4.4Å
259	D	82.9	Confident	80.4	Confident	93 Å²	93	80.6 Å²	80.6	50%	0.497	40%	0.395	S	S	.	.	H	α-helix	trans	-62.5	-44	176.9	-64.6	-18.7	0	0	0	110.3	R255 Q261 Q262 D263	R255-D259 PolarHBondContact O-N 2.86Å; R255-D259 VanDerWaalsContact O-N 3.1Å; D259-Q261 VanDerWaalsContact C-N 3.33Å; D259-Q261 PolarHBondContact O-N 3.41Å; D259-Q262 WeakPolarHBondContact O-CB 3.44Å; D259-Q262 PolarHBondContact O-N 2.88Å; D259-D263 PolarHBondContact O-N 3.39Å
260	A	83.1	Confident	80.9	Confident	37 Å²	37	82.8 Å²	82.8	31%	0.306	40%	0.399	S	S	.	.	H	α-helix	trans	-64.9	-32.7	175.5	0	0	0	0	0	113.7	Q256 R258 A264	Q256-A260 PolarHBondContact O-N 2.99Å; Q256-A260 VanDerWaalsContact O-N 3.14Å; R258-A260 VanDerWaalsContact C-N 3.34Å; A260-A264 PolarHBondContact O-N 3.46Å
261	Q	84.9	Confident	81.4	Confident	51 Å²	51	82.8 Å²	82.8	24%	0.238	40%	0.399	C	S	.	.	H	α-helix	trans	-67.2	-43.5	173.6	-175.2	-164.8	6.7	0	0	111.3	L257 R258 D259 A264 R265 Q918 I922	L257-Q261 WeakPolarHBondContact O-CB 3.3Å; L257-Q261 PolarHBondContact O-N 3.37Å; R258-Q261 WeakPolarHBondContact O-CB 3.2Å; R258-Q261 PolarHBondContact O-N 2.78Å; D259-Q261 VanDerWaalsContact C-N 3.33Å; D259-Q261 PolarHBondContact O-N 3.41Å; Q261-A264 PolarHBondContact O-N 3.27Å; Q261-R265 WeakPolarHBondContact O-CB 3.35Å; Q261-R265 PolarHBondContact O-N 3.46Å; Q261-Q918 HydrophobicContact CB-CB 4.41Å; Q261-I922 HydrophobicContact CB-CD1 4.2Å; Q261-I922 HydrophobicContact CG-CD1 4.49Å; Q261-I922 VanDerWaalsContact OE1-CD1 3.31Å
262	Q	81.1	Confident	81.9	Confident	115 Å²	115	84.9 Å²	84.9	54%	0.537	40%	0.398	S	S	.	.	H	α-helix	trans	-60.3	-47.9	178	-165.2	102.4	5.8	0	0	110.6	R258 D259 A264 R265 D266	R258-Q262 PolarHBondContact O-N 2.99Å; D259-Q262 WeakPolarHBondContact O-CB 3.44Å; D259-Q262 PolarHBondContact O-N 2.88Å; Q262-A264 VanDerWaalsContact C-N 3.34Å; Q262-A264 PolarHBondContact O-N 3.49Å; Q262-R265 WeakPolarHBondContact O-CB 3.32Å; Q262-R265 PolarHBondContact O-N 3.47Å; Q262-R265 VanDerWaalsContact O-N 3.14Å; Q262-D266 PolarHBondContact O-N 3.13Å
263	D	85.8	Confident	82.3	Confident	99 Å²	99	87.1 Å²	87.1	53%	0.529	40%	0.398	S	S	.	.	H	α-helix	trans	-60.5	-39.7	177.8	-76.6	-10.6	0	0	0	113.2	D259 R265 K267	D259-D263 PolarHBondContact O-N 3.39Å; D263-R265 VanDerWaalsContact C-N 3.34Å; D263-K267 WeakPolarHBondContact O-CG 3.31Å; D263-K267 PolarHBondContact O-N 3.1Å
264	A	84	Confident	82.8	Confident	2 Å²	2	83.2 Å²	83.2	2%	0.017	39%	0.385	C	S	.	.	H	α-helix	trans	-66.7	-39.5	177.1	0	0	0	0	0	111.3	A260 Q261 Q262 K267 V268 W911 I914 E915	A260-A264 PolarHBondContact O-N 3.46Å; Q261-A264 PolarHBondContact O-N 3.27Å; Q262-A264 VanDerWaalsContact C-N 3.34Å; Q262-A264 PolarHBondContact O-N 3.49Å; A264-K267 PolarHBondContact O-N 3.48Å; A264-V268 WeakPolarHBondContact O-CG2 3.27Å; A264-V268 PolarHBondContact O-N 2.81Å; A264-V268 VanDerWaalsContact O-N 3.13Å; A264-W911 HydrophobicContact CB-CE3 4.28Å; A264-I914 HydrophobicContact CB-CG2 4.16Å; A264-E915 HydrophobicContact CB-CB 4.3Å
265	R	83.4	Confident	83.3	Confident	108 Å²	108	83.1 Å²	83.1	41%	0.408	38%	0.384	S	S	.	.	H	α-helix	trans	-66.5	-44.1	179.3	-172.8	-176.8	-175.1	177.1	9	112.4	Q261 Q262 D263 K267 V268 E269	Q261-R265 WeakPolarHBondContact O-CB 3.35Å; Q261-R265 PolarHBondContact O-N 3.46Å; Q262-R265 WeakPolarHBondContact O-CB 3.32Å; Q262-R265 PolarHBondContact O-N 3.47Å; Q262-R265 VanDerWaalsContact O-N 3.14Å; D263-R265 VanDerWaalsContact C-N 3.34Å; R265-K267 VanDerWaalsContact C-N 3.26Å; R265-K267 PolarHBondContact O-N 3.25Å; R265-V268 WeakPolarHBondContact O-CB 3.4Å; R265-V268 PolarHBondContact O-N 3.34Å; R265-V268 VanDerWaalsContact O-N 3.09Å; R265-E269 PolarHBondContact O-N 3.43Å
266	D	85.4	Confident	83.3	Confident	82 Å²	82	82 Å²	82	44%	0.439	38%	0.38	S	S	.	.	H	α-helix	trans	-61.1	-38.5	179	-68.8	-9	0	0	0	111	Q262 E269 E270	Q262-D266 PolarHBondContact O-N 3.13Å; D266-E269 PolarHBondContact O-N 3.28Å; D266-E270 PolarHBondContact O-N 3.45Å
267	K	86.2	Confident	83.3	Confident	83 Å²	83	79.6 Å²	79.6	36%	0.361	37%	0.368	S	S	.	.	H	α-helix	trans	-69.4	-32	174.8	-69.4	177.8	-174.3	169	0	113.6	D263 A264 R265 T271 W911	D263-K267 WeakPolarHBondContact O-CG 3.31Å; D263-K267 PolarHBondContact O-N 3.1Å; A264-K267 PolarHBondContact O-N 3.48Å; R265-K267 VanDerWaalsContact C-N 3.26Å; R265-K267 PolarHBondContact O-N 3.25Å; K267-T271 WeakPolarHBondContact O-CB 3.42Å; K267-T271 WeakPolarHBondContact O-CG2 3.35Å; K267-T271 PolarHBondContact O-N 2.83Å; K267-T271 VanDerWaalsContact O-N 3.07Å; K267-T271 PolarHBondContact O-OG1 3.48Å; K267-W911 HydrophobicContact CB-CD2 3.97Å; K267-W911 HydrophobicContact CB-CE3 4.39Å; K267-W911 HydrophobicContact CB-CG 4.12Å; K267-W911 HydrophobicContact CD-CD2 3.9Å; K267-W911 HydrophobicContact CD-CE3 3.92Å; K267-W911 HydrophobicContact CD-CH2 3.45Å; K267-W911 VanDerWaalsContact CD-CH2 3.45Å; K267-W911 HydrophobicContact CD-CZ2 3.36Å; K267-W911 HydrophobicContact CD-CZ3 3.71Å
268	V	83.8	Confident	83.4	Confident	11 Å²	11	78.5 Å²	78.5	7%	0.067	36%	0.362	C	S	.	.	H	α-helix	trans	-64.3	-44.1	171.5	171.8	0	0	0	0	110	A264 R265 T271 E272 M908 W911 K912	A264-V268 WeakPolarHBondContact O-CG2 3.27Å; A264-V268 PolarHBondContact O-N 2.81Å; A264-V268 VanDerWaalsContact O-N 3.13Å; R265-V268 WeakPolarHBondContact O-CB 3.4Å; R265-V268 PolarHBondContact O-N 3.34Å; R265-V268 VanDerWaalsContact O-N 3.09Å; V268-T271 PolarHBondContact O-N 2.63Å; V268-T271 PolarHBondContact O-OG1 2.76Å; V268-E272 VanDerWaalsContact O-CB 3.31Å; V268-E272 WeakPolarHBondContact O-CB 3.47Å; V268-E272 PolarHBondContact O-N 3.32Å; V268-M908 HydrophobicContact CG1-CG 4.34Å; V268-W911 HydrophobicContact CG2-CB 3.61Å; V268-K912 HydrophobicContact CG1-CG 4.16Å; V268-K912 HydrophobicContact CG2-CG 3.93Å
269	E	80.8	Confident	83.5	Confident	124 Å²	124	77 Å²	77	58%	0.579	36%	0.36	S	S	*	.	H	α-helix	trans	-67	-41.1	-179.4	-169.4	167.1	-175.8	0	0	112.3	R265 D266 E272 R273	R265-E269 PolarHBondContact O-N 3.43Å; D266-E269 PolarHBondContact O-N 3.28Å; E269-E272 PolarHBondContact O-N 3Å; E269-R273 PolarHBondContact O-N 3.46Å
270	E	85.9	Confident	83.3	Confident	132 Å²	132	76.2 Å²	76.2	62%	0.617	36%	0.362	S	S	*	.	H	α-helix	trans	-61.4	-49.5	174.8	-173.9	177.3	-165.6	0	0	111.7	D266 E272 R273 V274	D266-E270 PolarHBondContact O-N 3.45Å; E270-E272 VanDerWaalsContact C-N 3.29Å; E270-E272 PolarHBondContact O-N 3.13Å; E270-R273 WeakPolarHBondContact O-CB 3.44Å; E270-R273 PolarHBondContact O-N 2.86Å; E270-R273 VanDerWaalsContact O-N 3.15Å; E270-V274 WeakPolarHBondContact O-CG2 3.24Å; E270-V274 PolarHBondContact O-N 3.18Å; E270-V274 VanDerWaalsContact O-N 3.13Å
271	T	84.5	Confident	83.2	Confident	17 Å²	17	80 Å²	80	10%	0.104	37%	0.371	C	S	.	.	H	α-helix	trans	-64.8	-32.8	177.8	52.1	0	0	0	0	112.3	K267 V268 R273 V274 V275	K267-T271 WeakPolarHBondContact O-CB 3.42Å; K267-T271 WeakPolarHBondContact O-CG2 3.35Å; K267-T271 PolarHBondContact O-N 2.83Å; K267-T271 VanDerWaalsContact O-N 3.07Å; K267-T271 PolarHBondContact O-OG1 3.48Å; V268-T271 PolarHBondContact O-N 2.63Å; V268-T271 PolarHBondContact O-OG1 2.76Å; T271-R273 VanDerWaalsContact C-N 3.34Å; T271-V274 PolarHBondContact O-N 3.39Å; T271-V275 VanDerWaalsContact O-CG2 3.3Å; T271-V275 WeakPolarHBondContact O-CG2 3.3Å; T271-V275 PolarHBondContact O-N 3.08Å
272	E	81.9	Confident	83.2	Confident	85 Å²	85	78 Å²	78	40%	0.397	36%	0.363	S	S	.	.	H	α-helix	trans	-67	-33.9	174.1	-163.2	164.2	-159.7	0	0	113	V268 E269 E270 R276 M908	V268-E272 VanDerWaalsContact O-CB 3.31Å; V268-E272 WeakPolarHBondContact O-CB 3.47Å; V268-E272 PolarHBondContact O-N 3.32Å; E269-E272 PolarHBondContact O-N 3Å; E270-E272 VanDerWaalsContact C-N 3.29Å; E270-E272 PolarHBondContact O-N 3.13Å; E272-R276 PolarHBondContact O-N 2.88Å; E272-R276 PolarHBondContact O-NE 3.41Å; E272-M908 HydrophobicContact CB-CE 3.56Å; E272-M908 HydrophobicContact CG-CE 3.85Å
273	R	82.4	Confident	83	Confident	155 Å²	155	75.3 Å²	75.3	59%	0.585	36%	0.356	S	S	*	.	H	α-helix	trans	-66.6	-48.4	173.7	-160.1	-176.7	99.9	-161.5	1.2	111.1	E269 E270 T271 V275 R276 E277	E269-R273 PolarHBondContact O-N 3.46Å; E270-R273 WeakPolarHBondContact O-CB 3.44Å; E270-R273 PolarHBondContact O-N 2.86Å; E270-R273 VanDerWaalsContact O-N 3.15Å; T271-R273 VanDerWaalsContact C-N 3.34Å; R273-V275 VanDerWaalsContact C-N 3.35Å; R273-V275 PolarHBondContact O-N 3.33Å; R273-R276 WeakPolarHBondContact O-CB 3.21Å; R273-R276 PolarHBondContact O-N 3.28Å; R273-R276 VanDerWaalsContact O-N 3.14Å; R273-E277 IonicContact CZ-OE1 3.68Å; R273-E277 IonicContact NE-OE1 2.65Å; R273-E277 PolarHBondContact NE-OE1 3.1Å; R273-E277 IonicContact NH2-OE1 2.76Å; R273-E277 PolarHBondContact O-N 3Å
274	V	86.6	Confident	82.6	Confident	43 Å²	43	73.2 Å²	73.2	26%	0.261	35%	0.353	S	S	.	.	H	α-helix	trans	-60.4	-43.5	179.1	176.5	0	0	0	0	111.4	E270 T271 R276 E277 L278	E270-V274 WeakPolarHBondContact O-CG2 3.24Å; E270-V274 PolarHBondContact O-N 3.18Å; E270-V274 VanDerWaalsContact O-N 3.13Å; T271-V274 PolarHBondContact O-N 3.39Å; V274-R276 VanDerWaalsContact C-N 3.32Å; V274-R276 PolarHBondContact O-N 3.06Å; V274-E277 PolarHBondContact O-N 3.25Å; V274-L278 HydrophobicContact CG1-CD1 3.99Å; V274-L278 HydrophobicContact CG1-CG 4.41Å; V274-L278 WeakPolarHBondContact O-CG 3.42Å; V274-L278 PolarHBondContact O-N 3.39Å
275	V	84.6	Confident	82.5	Confident	8 Å²	8	74.6 Å²	74.6	5%	0.048	36%	0.359	C	S	.	.	H	α-helix	trans	-62.4	-38.2	176.6	170.1	0	0	0	0	111.9	T271 R273 K279 I901 H904 I905 M908	T271-V275 VanDerWaalsContact O-CG2 3.3Å; T271-V275 WeakPolarHBondContact O-CG2 3.3Å; T271-V275 PolarHBondContact O-N 3.08Å; R273-V275 VanDerWaalsContact C-N 3.35Å; R273-V275 PolarHBondContact O-N 3.33Å; V275-K279 HydrophobicContact CG1-CD 4.15Å; V275-K279 HydrophobicContact CG1-CG 4.48Å; V275-K279 WeakPolarHBondContact O-CB 3.39Å; V275-K279 VanDerWaalsContact O-CG 3.31Å; V275-K279 WeakPolarHBondContact O-CG 3.39Å; V275-K279 PolarHBondContact O-N 3.48Å; V275-I901 HydrophobicContact CG1-CG2 4.4Å; V275-H904 HydrophobicContact CG2-CB 3.61Å; V275-I905 HydrophobicContact CG1-CG1 4.32Å; V275-I905 HydrophobicContact CG2-CG1 4.25Å; V275-M908 HydrophobicContact CG2-CE 4.49Å
276	R	79.3	Confident	82.5	Confident	154 Å²	154	73.9 Å²	73.9	58%	0.581	36%	0.359	S	S	*	.	H	α-helix	trans	-65.8	-45.4	175.9	-85.2	-176.8	-77.2	169.1	-7.1	112	E272 R273 V274 K279 S280	E272-R276 PolarHBondContact O-N 2.88Å; E272-R276 PolarHBondContact O-NE 3.41Å; R273-R276 WeakPolarHBondContact O-CB 3.21Å; R273-R276 PolarHBondContact O-N 3.28Å; R273-R276 VanDerWaalsContact O-N 3.14Å; V274-R276 VanDerWaalsContact C-N 3.32Å; V274-R276 PolarHBondContact O-N 3.06Å; R276-K279 PolarHBondContact O-N 2.58Å; R276-S280 PolarHBondContact O-N 3.47Å
277	E	81.8	Confident	82.2	Confident	88 Å²	88	74 Å²	74	41%	0.411	36%	0.357	S	S	.	.	H	α-helix	trans	-60.4	-46.4	177.3	-72.3	175.6	-158	0	0	111.4	R273 V274 S280 K281	R273-E277 IonicContact CZ-OE1 3.68Å; R273-E277 IonicContact NE-OE1 2.65Å; R273-E277 PolarHBondContact NE-OE1 3.1Å; R273-E277 IonicContact NH2-OE1 2.76Å; R273-E277 PolarHBondContact O-N 3Å; V274-E277 PolarHBondContact O-N 3.25Å; E277-S280 PolarHBondContact O-N 3.49Å; E277-K281 WeakPolarHBondContact O-CG 3.33Å; E277-K281 PolarHBondContact O-N 3.43Å
278	L	83.3	Confident	81.9	Confident	15 Å²	15	73.2 Å²	73.2	8%	0.079	36%	0.355	C	S	.	.	H	α-helix	trans	-64.9	-40.6	177.7	-69.9	173.7	0	0	0	112.4	V274 S280 K281 V282 E900 I901	V274-L278 HydrophobicContact CG1-CD1 3.99Å; V274-L278 HydrophobicContact CG1-CG 4.41Å; V274-L278 WeakPolarHBondContact O-CG 3.42Å; V274-L278 PolarHBondContact O-N 3.39Å; L278-S280 VanDerWaalsContact C-N 3.31Å; L278-S280 PolarHBondContact O-N 3.17Å; L278-K281 WeakPolarHBondContact O-CB 3.37Å; L278-K281 PolarHBondContact O-N 3.02Å; L278-V282 WeakPolarHBondContact O-CG2 3.5Å; L278-V282 PolarHBondContact O-N 3.02Å; L278-E900 HydrophobicContact CD1-CB 4.21Å; L278-I901 HydrophobicContact CB-CD1 3.87Å; L278-I901 HydrophobicContact CB-CG1 3.47Å; L278-I901 VanDerWaalsContact CB-CG1 3.47Å; L278-I901 HydrophobicContact CD1-CG1 4.05Å; L278-I901 HydrophobicContact CG-CG1 4.4Å
279	K	81.5	Confident	81.8	Confident	116 Å²	116	75.9 Å²	75.9	50%	0.504	37%	0.365	S	S	.	.	H	α-helix	trans	-61.5	-39	175	-80.4	179.8	178.2	179.6	0	112.5	V275 R276 K281 V282 S283 I901	V275-K279 HydrophobicContact CG1-CD 4.15Å; V275-K279 HydrophobicContact CG1-CG 4.48Å; V275-K279 WeakPolarHBondContact O-CB 3.39Å; V275-K279 VanDerWaalsContact O-CG 3.31Å; V275-K279 WeakPolarHBondContact O-CG 3.39Å; V275-K279 PolarHBondContact O-N 3.48Å; R276-K279 PolarHBondContact O-N 2.58Å; K279-K281 VanDerWaalsContact C-N 3.35Å; K279-V282 PolarHBondContact O-N 3.32Å; K279-S283 PolarHBondContact O-N 3.49Å; K279-I901 HydrophobicContact CG-CD1 3.97Å
280	S	79.2	Confident	81.7	Confident	76 Å²	76	76.7 Å²	76.7	53%	0.531	37%	0.369	S	S	.	.	H	α-helix	trans	-65.7	-37.6	175.1	-171.6	0	0	0	0	112.2	R276 E277 L278 S283 A284	R276-S280 PolarHBondContact O-N 3.47Å; E277-S280 PolarHBondContact O-N 3.49Å; L278-S280 VanDerWaalsContact C-N 3.31Å; L278-S280 PolarHBondContact O-N 3.17Å; S280-S283 PolarHBondContact O-OG 3.1Å; S280-A284 PolarHBondContact O-N 3.37Å; S280-A284 VanDerWaalsContact O-N 3.15Å
281	K	80.4	Confident	81.4	Confident	115 Å²	115	75.1 Å²	75.1	50%	0.5	36%	0.362	S	S	.	.	H	α-helix	trans	-64.7	-42.8	174.1	-72.7	178.5	-178.3	176.5	0	111.5	E277 L278 K279 A284 M285	E277-K281 WeakPolarHBondContact O-CG 3.33Å; E277-K281 PolarHBondContact O-N 3.43Å; L278-K281 WeakPolarHBondContact O-CB 3.37Å; L278-K281 PolarHBondContact O-N 3.02Å; K279-K281 VanDerWaalsContact C-N 3.35Å; K281-A284 PolarHBondContact O-N 3.38Å; K281-M285 HydrophobicContact CB-CE 4.2Å; K281-M285 WeakPolarHBondContact O-CG 3.4Å; K281-M285 PolarHBondContact O-N 3.13Å
282	V	84.9	Confident	81.2	Confident	11 Å²	11	74.6 Å²	74.6	7%	0.067	36%	0.358	C	S	.	.	H	α-helix	trans	-63.4	-41.8	176.8	170	0	0	0	0	111.9	L278 K279 M285 K286 V894 T897 E898 I901	L278-V282 WeakPolarHBondContact O-CG2 3.5Å; L278-V282 PolarHBondContact O-N 3.02Å; K279-V282 PolarHBondContact O-N 3.32Å; V282-M285 PolarHBondContact O-N 3.12Å; V282-K286 HydrophobicContact CG1-CD 4.07Å; V282-K286 HydrophobicContact CG1-CG 4.47Å; V282-K286 WeakPolarHBondContact O-CB 3.29Å; V282-K286 WeakPolarHBondContact O-CG 3.41Å; V282-K286 PolarHBondContact O-N 3.44Å; V282-V894 HydrophobicContact CG1-CG1 4.3Å; V282-T897 VanDerWaalsContact CG2-OG1 3.32Å; V282-T897 WeakPolarHBondContact CG2-OG1 3.44Å; V282-E898 HydrophobicContact CG1-CG 4.17Å; V282-E898 HydrophobicContact CG2-CG 4.18Å; V282-I901 HydrophobicContact CG2-CD1 3.79Å
283	S	77.2	Confident	81.1	Confident	57 Å²	57	73.2 Å²	73.2	40%	0.399	36%	0.358	S	S	.	.	H	α-helix	trans	-63.7	-42.6	177.2	61	0	0	0	0	111.8	K279 S280 K286 E287	K279-S283 PolarHBondContact O-N 3.49Å; S280-S283 PolarHBondContact O-OG 3.1Å; S283-K286 PolarHBondContact O-N 3.4Å; S283-E287 PolarHBondContact O-N 3.42Å
284	A	78.4	Confident	80.9	Confident	55 Å²	55	68.5 Å²	68.5	46%	0.455	35%	0.352	S	S	.	.	H	α-helix	trans	-61.6	-45	176.9	0	0	0	0	0	112.3	S280 K281 K286 E287 E288	S280-A284 PolarHBondContact O-N 3.37Å; S280-A284 VanDerWaalsContact O-N 3.15Å; K281-A284 PolarHBondContact O-N 3.38Å; A284-K286 VanDerWaalsContact C-N 3.35Å; A284-K286 PolarHBondContact O-N 3.14Å; A284-E287 PolarHBondContact O-N 3.23Å; A284-E288 PolarHBondContact O-N 2.97Å
285	M	81.6	Confident	80.6	Confident	31 Å²	31	69.4 Å²	69.4	15%	0.153	35%	0.354	C	S	.	.	H	α-helix	trans	-64.5	-36.8	177	-67.5	177.6	-153.7	0	0	112.6	K281 V282 E288 K289 L890 L893 V894 T897	K281-M285 HydrophobicContact CB-CE 4.2Å; K281-M285 WeakPolarHBondContact O-CG 3.4Å; K281-M285 PolarHBondContact O-N 3.13Å; V282-M285 PolarHBondContact O-N 3.12Å; M285-E288 PolarHBondContact O-N 3.08Å; M285-K289 WeakPolarHBondContact O-CB 3.5Å; M285-K289 PolarHBondContact O-N 3.29Å; M285-L890 HydrophobicContact CB-CD2 4.41Å; M285-L890 HydrophobicContact CG-CD2 4.37Å; M285-L893 HydrophobicContact CE-CD2 4.23Å; M285-L893 HydrophobicContact SD-CB 4Å; M285-L893 HydrophobicContact SD-CD2 4.24Å; M285-V894 HydrophobicContact CB-CG2 3.61Å; M285-V894 HydrophobicContact SD-CG2 4.15Å; M285-T897 HydrophobicContact CE-CG2 4.36Å
286	K	82.3	Confident	80.6	Confident	93 Å²	93	73.7 Å²	73.7	40%	0.404	37%	0.369	S	S	.	.	H	α-helix	trans	-67.6	-38.6	176	-76.6	-179.6	-179.2	176.9	0	112.4	V282 S283 A284 K289 E290 V894 E898	V282-K286 HydrophobicContact CG1-CD 4.07Å; V282-K286 HydrophobicContact CG1-CG 4.47Å; V282-K286 WeakPolarHBondContact O-CB 3.29Å; V282-K286 WeakPolarHBondContact O-CG 3.41Å; V282-K286 PolarHBondContact O-N 3.44Å; S283-K286 PolarHBondContact O-N 3.4Å; A284-K286 VanDerWaalsContact C-N 3.35Å; A284-K286 PolarHBondContact O-N 3.14Å; K286-K289 WeakPolarHBondContact O-CB 2.91Å; K286-K289 PolarHBondContact O-N 3.37Å; K286-E290 PolarHBondContact O-N 3.06Å; K286-V894 HydrophobicContact CG-CG1 4.47Å; K286-V894 HydrophobicContact CG-CG2 4.44Å; K286-E898 WeakPolarHBondContact CE-OE1 3.41Å; K286-E898 IonicContact NZ-OE1 2.91Å; K286-E898 PolarHBondContact NZ-OE1 2.65Å
287	E	79.4	Confident	80.6	Confident	84 Å²	84	72.5 Å²	72.5	39%	0.393	37%	0.37	S	S	.	.	H	α-helix	trans	-66.8	-42.2	173.6	-74.3	-178.5	-165.7	0	0	111.7	S283 A284 K289 E290 Q291	S283-E287 PolarHBondContact O-N 3.42Å; A284-E287 PolarHBondContact O-N 3.23Å; E287-K289 VanDerWaalsContact C-N 3.27Å; E287-K289 PolarHBondContact O-N 3.29Å; E287-E290 PolarHBondContact O-N 3.3Å; E287-Q291 WeakPolarHBondContact O-CG 3.08Å; E287-Q291 PolarHBondContact O-N 2.77Å
288	E	80.2	Confident	80.4	Confident	67 Å²	67	72.5 Å²	72.5	31%	0.313	37%	0.37	S	S	.	.	H	α-helix	trans	-58.4	-41.7	173.5	-170.7	-179.4	173.4	0	0	110.9	A284 M285 Q291 L292 R886 L890	A284-E288 PolarHBondContact O-N 2.97Å; M285-E288 PolarHBondContact O-N 3.08Å; E288-Q291 PolarHBondContact O-N 3.3Å; E288-L292 HydrophobicContact CG-CD1 4.29Å; E288-L292 WeakPolarHBondContact O-CG 3.38Å; E288-L292 PolarHBondContact O-N 3.09Å; E288-R886 IonicContact OE1-NE 3.64Å; E288-R886 IonicContact OE1-NH2 2.66Å; E288-R886 PolarHBondContact OE1-NH2 3.36Å; E288-L890 HydrophobicContact CB-CD1 4.28Å; E288-L890 HydrophobicContact CG-CD1 3.93Å
289	K	83	Confident	80.3	Confident	67 Å²	67	72.7 Å²	72.7	29%	0.291	37%	0.371	S	S	.	.	H	α-helix	trans	-61.6	-46.2	174.4	-176.6	-171.8	179.8	176.9	0	112.4	M285 K286 E287 Q291 L292 S293 D891	M285-K289 WeakPolarHBondContact O-CB 3.5Å; M285-K289 PolarHBondContact O-N 3.29Å; K286-K289 WeakPolarHBondContact O-CB 2.91Å; K286-K289 PolarHBondContact O-N 3.37Å; E287-K289 VanDerWaalsContact C-N 3.27Å; E287-K289 PolarHBondContact O-N 3.29Å; K289-Q291 VanDerWaalsContact C-N 3.29Å; K289-Q291 PolarHBondContact O-N 3.41Å; K289-L292 PolarHBondContact O-N 2.88Å; K289-S293 WeakPolarHBondContact O-CB 3.47Å; K289-S293 PolarHBondContact O-N 2.81Å; K289-D891 WeakPolarHBondContact CD-OD1 3.5Å; K289-D891 VanDerWaalsContact CE-OD1 3.24Å; K289-D891 WeakPolarHBondContact CE-OD1 3.38Å; K289-D891 VanDerWaalsContact CE-OD2 3.27Å; K289-D891 WeakPolarHBondContact CE-OD2 3.32Å; K289-D891 IonicContact NZ-OD1 2.96Å; K289-D891 PolarHBondContact NZ-OD1 3.22Å; K289-D891 IonicContact NZ-OD2 2.7Å; K289-D891 PolarHBondContact NZ-OD2 3.35Å
290	E	78.1	Confident	80.3	Confident	142 Å²	142	69.9 Å²	69.9	66%	0.664	36%	0.361	S	S	*	.	H	α-helix	trans	-59.8	-42.2	178	-82.2	-172.8	167.8	0	0	111.2	K286 E287 S293 A294	K286-E290 PolarHBondContact O-N 3.06Å; E287-E290 PolarHBondContact O-N 3.3Å; E290-S293 PolarHBondContact O-N 2.84Å; E290-S293 PolarHBondContact O-OG 3.27Å; E290-A294 PolarHBondContact O-N 3.44Å
291	Q	79.6	Confident	80.4	Confident	98 Å²	98	72.2 Å²	72.2	46%	0.458	36%	0.361	S	S	.	.	H	α-helix	trans	-62.9	-46.4	175.8	-67.8	178.5	15.6	0	0	112.2	E287 E288 K289 S293 A294 E295	E287-Q291 WeakPolarHBondContact O-CG 3.08Å; E287-Q291 PolarHBondContact O-N 2.77Å; E288-Q291 PolarHBondContact O-N 3.3Å; K289-Q291 VanDerWaalsContact C-N 3.29Å; K289-Q291 PolarHBondContact O-N 3.41Å; Q291-S293 VanDerWaalsContact C-N 3.27Å; Q291-S293 PolarHBondContact O-N 2.83Å; Q291-A294 PolarHBondContact O-N 3.25Å; Q291-E295 PolarHBondContact O-N 2.84Å
292	L	80.7	Confident	80.3	Confident	6 Å²	6	71 Å²	71	3%	0.031	36%	0.357	C	S	.	.	H	α-helix	trans	-62.5	-34.9	175.4	-72.7	171.2	0	0	0	111.9	E288 K289 E295 R296 T883 R886 L890	E288-L292 HydrophobicContact CG-CD1 4.29Å; E288-L292 WeakPolarHBondContact O-CG 3.38Å; E288-L292 PolarHBondContact O-N 3.09Å; K289-L292 PolarHBondContact O-N 2.88Å; L292-E295 PolarHBondContact O-N 3.28Å; L292-R296 VanDerWaalsContact O-CB 3.28Å; L292-R296 WeakPolarHBondContact O-CB 3.43Å; L292-R296 PolarHBondContact O-N 3.06Å; L292-T883 HydrophobicContact CD2-CG2 4.27Å; L292-R886 HydrophobicContact CD1-CG 4.13Å; L292-L890 HydrophobicContact CD1-CD1 3.53Å
293	S	79.8	Confident	80.4	Confident	56 Å²	56	74 Å²	74	39%	0.392	37%	0.367	S	S	.	.	H	α-helix	trans	-67.4	-38.9	176.1	85.9	0	0	0	0	112.2	K289 E290 Q291 R296 Q297	K289-S293 WeakPolarHBondContact O-CB 3.47Å; K289-S293 PolarHBondContact O-N 2.81Å; E290-S293 PolarHBondContact O-N 2.84Å; E290-S293 PolarHBondContact O-OG 3.27Å; Q291-S293 VanDerWaalsContact C-N 3.27Å; Q291-S293 PolarHBondContact O-N 2.83Å; S293-R296 PolarHBondContact O-N 2.91Å; S293-Q297 PolarHBondContact O-N 3.03Å
294	A	78.1	Confident	80.5	Confident	56 Å²	56	74.3 Å²	74.3	46%	0.463	37%	0.366	S	S	.	.	H	α-helix	trans	-68.2	-43.1	176.2	0	0	0	0	0	111	E290 Q291 R296 Q297 E298	E290-A294 PolarHBondContact O-N 3.44Å; Q291-A294 PolarHBondContact O-N 3.25Å; A294-R296 VanDerWaalsContact C-N 3.34Å; A294-R296 PolarHBondContact O-N 3.33Å; A294-Q297 PolarHBondContact O-N 2.64Å; A294-E298 PolarHBondContact O-N 3.27Å; A294-E298 VanDerWaalsContact O-N 3.13Å
295	E	79.6	Confident	80.6	Confident	62 Å²	62	79.5 Å²	79.5	29%	0.29	38%	0.379	S	S	.	.	H	α-helix	trans	-60.1	-45	173.9	-174.8	172.9	-170.4	0	0	111.1	Q291 L292 Q297 E298 Q299 R478	Q291-E295 PolarHBondContact O-N 2.84Å; L292-E295 PolarHBondContact O-N 3.28Å; E295-Q297 PolarHBondContact O-N 2.6Å; E295-E298 PolarHBondContact O-N 3.37Å; E295-Q299 WeakPolarHBondContact O-CG 3.25Å; E295-Q299 PolarHBondContact O-N 3Å; E295-R478 IonicContact OE1-NH2 3.35Å; E295-R478 IonicContact OE2-CZ 3.99Å; E295-R478 IonicContact OE2-NH1 4Å; E295-R478 IonicContact OE2-NH2 3.48Å; E295-R478 PolarHBondContact OE2-NH2 3.42Å
296	R	83.5	Confident	80.5	Confident	99 Å²	99	79.3 Å²	79.3	37%	0.374	38%	0.379	S	S	.	.	H	α-helix	trans	-60.3	-42.7	175.7	-177.8	-177.3	172	-153.2	-1.8	112.1	L292 S293 A294 E298 Q299 I300	L292-R296 VanDerWaalsContact O-CB 3.28Å; L292-R296 WeakPolarHBondContact O-CB 3.43Å; L292-R296 PolarHBondContact O-N 3.06Å; S293-R296 PolarHBondContact O-N 2.91Å; A294-R296 VanDerWaalsContact C-N 3.34Å; A294-R296 PolarHBondContact O-N 3.33Å; R296-E298 VanDerWaalsContact C-N 3.3Å; R296-E298 PolarHBondContact O-N 2.83Å; R296-Q299 PolarHBondContact O-N 2.85Å; R296-I300 HydrophobicContact CG-CD1 3.87Å; R296-I300 HydrophobicContact CG-CG1 4.42Å; R296-I300 WeakPolarHBondContact O-CB 3.37Å; R296-I300 VanDerWaalsContact O-CG1 3.23Å; R296-I300 WeakPolarHBondContact O-CG1 3.29Å; R296-I300 PolarHBondContact O-N 2.85Å
297	Q	79.2	Confident	80.5	Confident	129 Å²	129	79.3 Å²	79.3	60%	0.603	38%	0.38	S	S	*	.	H	α-helix	trans	-60.4	-41.2	176.5	-84	-172	-6.2	0	0	111.9	S293 A294 E295 I300 K301	S293-Q297 PolarHBondContact O-N 3.03Å; A294-Q297 PolarHBondContact O-N 2.64Å; E295-Q297 PolarHBondContact O-N 2.6Å; Q297-I300 PolarHBondContact O-N 3.38Å; Q297-K301 WeakPolarHBondContact O-CG 3.46Å; Q297-K301 PolarHBondContact O-N 2.85Å
298	E	78.3	Confident	80.5	Confident	88 Å²	88	80 Å²	80	41%	0.411	39%	0.386	S	S	.	.	H	α-helix	trans	-68.4	-43.1	178.5	-167.9	55.6	-149.8	0	0	111.7	A294 E295 R296 I300 K301 Q302	A294-E298 PolarHBondContact O-N 3.27Å; A294-E298 VanDerWaalsContact O-N 3.13Å; E295-E298 PolarHBondContact O-N 3.37Å; R296-E298 VanDerWaalsContact C-N 3.3Å; R296-E298 PolarHBondContact O-N 2.83Å; E298-I300 VanDerWaalsContact C-N 3.3Å; E298-I300 PolarHBondContact O-N 3.17Å; E298-K301 PolarHBondContact O-N 2.9Å; E298-K301 IonicContact OE2-NZ 2.89Å; E298-K301 PolarHBondContact OE2-NZ 2.9Å; E298-Q302 WeakPolarHBondContact O-CG 3.48Å; E298-Q302 PolarHBondContact O-N 2.85Å
299	Q	82.4	Confident	80.4	Confident	19 Å²	19	82.2 Å²	82.2	9%	0.089	39%	0.394	C	S	.	.	H	α-helix	trans	-60.6	-38.5	173.8	-68.7	177.7	2	0	0	112.1	E295 R296 Q302 R303 I876 R879 V880 T883	E295-Q299 WeakPolarHBondContact O-CG 3.25Å; E295-Q299 PolarHBondContact O-N 3Å; R296-Q299 PolarHBondContact O-N 2.85Å; Q299-Q302 PolarHBondContact O-N 2.87Å; Q299-R303 WeakPolarHBondContact O-CB 3.32Å; Q299-R303 PolarHBondContact O-N 3.33Å; Q299-I876 HydrophobicContact CB-CG2 4.48Å; Q299-I876 WeakPolarHBondContact O-CG2 3.44Å; Q299-R879 PolarHBondContact OE1-O 3.3Å; Q299-V880 HydrophobicContact CB-CG2 3.7Å; Q299-T883 PolarHBondContact OE1-OG1 2.62Å
300	I	81.3	Confident	80.2	Confident	57 Å²	57	79.3 Å²	79.3	29%	0.292	38%	0.383	S	S	.	.	H	α-helix	trans	-64.3	-44.4	175.4	-72	167.6	0	0	0	111	R296 Q297 E298 Q302 R303 T304 V880	R296-I300 HydrophobicContact CG-CD1 3.87Å; R296-I300 HydrophobicContact CG-CG1 4.42Å; R296-I300 WeakPolarHBondContact O-CB 3.37Å; R296-I300 VanDerWaalsContact O-CG1 3.23Å; R296-I300 WeakPolarHBondContact O-CG1 3.29Å; R296-I300 PolarHBondContact O-N 2.85Å; Q297-I300 PolarHBondContact O-N 3.38Å; E298-I300 VanDerWaalsContact C-N 3.3Å; E298-I300 PolarHBondContact O-N 3.17Å; I300-Q302 VanDerWaalsContact C-N 3.32Å; I300-Q302 PolarHBondContact O-N 2.86Å; I300-R303 WeakPolarHBondContact O-CB 3.48Å; I300-R303 PolarHBondContact O-N 2.93Å; I300-T304 PolarHBondContact O-N 2.71Å; I300-T304 PolarHBondContact O-OG1 3.06Å; I300-V880 HydrophobicContact CG1-CG1 4.47Å
301	K	81.3	Confident	80.3	Confident	124 Å²	124	78.6 Å²	78.6	54%	0.539	38%	0.377	S	S	.	.	H	α-helix	trans	-59.3	-44.4	176.1	-71.1	174.5	-165.1	161.7	0	111.7	Q297 E298 T304 K305	Q297-K301 WeakPolarHBondContact O-CG 3.46Å; Q297-K301 PolarHBondContact O-N 2.85Å; E298-K301 PolarHBondContact O-N 2.9Å; E298-K301 IonicContact OE2-NZ 2.89Å; E298-K301 PolarHBondContact OE2-NZ 2.9Å; K301-T304 PolarHBondContact O-N 3.32Å; K301-K305 PolarHBondContact O-N 3.46Å
302	Q	77.3	Confident	80.3	Confident	89 Å²	89	78.4 Å²	78.4	42%	0.416	38%	0.38	S	S	.	.	H	α-helix	trans	-63.6	-42.4	176.9	-68.7	-179.5	7.2	0	0	111.4	E298 Q299 I300 T304 K305 L306 I876	E298-Q302 WeakPolarHBondContact O-CG 3.48Å; E298-Q302 PolarHBondContact O-N 2.85Å; Q299-Q302 PolarHBondContact O-N 2.87Å; I300-Q302 VanDerWaalsContact C-N 3.32Å; I300-Q302 PolarHBondContact O-N 2.86Å; Q302-T304 PolarHBondContact O-N 3.25Å; Q302-K305 PolarHBondContact O-N 2.86Å; Q302-L306 PolarHBondContact O-N 3.04Å; Q302-I876 HydrophobicContact CB-CD1 3.8Å
303	R	87	Confident	80	Confident	76 Å²	76	79.4 Å²	79.4	29%	0.287	39%	0.385	S	S	.	.	H	α-helix	trans	-55.7	-53.1	173.5	-169.9	-174.7	79.1	-171	7.2	111	Q299 I300 K305 L306 E307 L873 I876 N877	Q299-R303 WeakPolarHBondContact O-CB 3.32Å; Q299-R303 PolarHBondContact O-N 3.33Å; I300-R303 WeakPolarHBondContact O-CB 3.48Å; I300-R303 PolarHBondContact O-N 2.93Å; R303-K305 VanDerWaalsContact C-N 3.27Å; R303-K305 PolarHBondContact O-N 2.81Å; R303-L306 PolarHBondContact O-N 2.83Å; R303-E307 IonicContact NE-OE2 2.73Å; R303-E307 WeakPolarHBondContact O-CB 3.46Å; R303-E307 PolarHBondContact O-N 2.81Å; R303-L873 HydrophobicContact CG-CD2 4.07Å; R303-I876 HydrophobicContact CB-CG2 3.84Å; R303-I876 HydrophobicContact CG-CG2 4.43Å; R303-N877 WeakPolarHBondContact CD-OD1 3.32Å
304	T	78.5	Confident	79.9	Confident	62 Å²	62	82.1 Å²	82.1	38%	0.38	39%	0.391	S	S	.	.	H	α-helix	trans	-60.6	-38.1	-177.3	-48.9	0	0	0	0	111.8	I300 K301 Q302 E307 L308	I300-T304 PolarHBondContact O-N 2.71Å; I300-T304 PolarHBondContact O-OG1 3.06Å; K301-T304 PolarHBondContact O-N 3.32Å; Q302-T304 PolarHBondContact O-N 3.25Å; T304-E307 PolarHBondContact O-N 3.02Å; T304-L308 HydrophobicContact CG2-CD1 4.35Å; T304-L308 VanDerWaalsContact O-CG 3.32Å; T304-L308 WeakPolarHBondContact O-CG 3.46Å; T304-L308 PolarHBondContact O-N 3.21Å
305	K	80.4	Confident	79.9	Confident	164 Å²	164	84.2 Å²	84.2	71%	0.713	39%	0.394	S	S	*	.	H	α-helix	trans	-65.6	-44.2	176.8	-170.2	178.1	-178.9	-179.9	0	112.4	K301 Q302 R303 K309	K301-K305 PolarHBondContact O-N 3.46Å; Q302-K305 PolarHBondContact O-N 2.86Å; R303-K305 VanDerWaalsContact C-N 3.27Å; R303-K305 PolarHBondContact O-N 2.81Å; K305-K309 WeakPolarHBondContact O-CB 3.47Å; K305-K309 PolarHBondContact O-N 3.09Å; K305-K309 VanDerWaalsContact O-N 3.13Å
306	L	80.4	Confident	79.6	Confident	28 Å²	28	87.1 Å²	87.1	15%	0.147	41%	0.408	C	S	.	.	H	α-helix	trans	-68.9	-35.9	176.3	-73	178.7	0	0	0	112	Q302 R303 K309 A310 E872 L873 I876	Q302-L306 PolarHBondContact O-N 3.04Å; R303-L306 PolarHBondContact O-N 2.83Å; L306-K309 PolarHBondContact O-N 2.9Å; L306-A310 VanDerWaalsContact O-CB 3.27Å; L306-A310 WeakPolarHBondContact O-CB 3.38Å; L306-A310 PolarHBondContact O-N 2.56Å; L306-E872 HydrophobicContact CD1-CB 3.89Å; L306-L873 HydrophobicContact CB-CD1 4.45Å; L306-L873 HydrophobicContact CB-CG 4.29Å; L306-I876 HydrophobicContact CD1-CD1 3.58Å
307	E	81.9	Confident	79.1	Confident	93 Å²	93	84.8 Å²	84.8	44%	0.435	40%	0.403	S	S	.	.	H	α-helix	trans	-66.4	-43.5	178.9	-168.3	170.4	-164.5	0	0	112	R303 T304 K311 L873	R303-E307 IonicContact NE-OE2 2.73Å; R303-E307 WeakPolarHBondContact O-CB 3.46Å; R303-E307 PolarHBondContact O-N 2.81Å; T304-E307 PolarHBondContact O-N 3.02Å; E307-K311 WeakPolarHBondContact O-CB 3.28Å; E307-K311 PolarHBondContact O-N 2.94Å; E307-L873 VanDerWaalsContact CA-CD1 3.45Å; E307-L873 HydrophobicContact CB-CD1 3.84Å; E307-L873 HydrophobicContact CG-CD1 4.25Å
308	L	80.6	Confident	78.9	Confident	99 Å²	99	81.1 Å²	81.1	52%	0.518	40%	0.395	S	S	.	.	H	α-helix	trans	-61.5	-47.7	171	-71.5	169.4	0	0	0	111.2	T304 A310 K311 D312	T304-L308 HydrophobicContact CG2-CD1 4.35Å; T304-L308 VanDerWaalsContact O-CG 3.32Å; T304-L308 WeakPolarHBondContact O-CG 3.46Å; T304-L308 PolarHBondContact O-N 3.21Å; L308-A310 PolarHBondContact O-N 2.9Å; L308-K311 PolarHBondContact O-N 3.42Å; L308-D312 VanDerWaalsContact O-CG 3.23Å; L308-D312 PolarHBondContact O-N 2.79Å
309	K	77.6	Confident	78.8	Confident	113 Å²	113	78.5 Å²	78.5	49%	0.491	39%	0.391	S	S	.	.	H	α-helix	trans	-62.9	-41	-179.6	-168.6	177.6	-177.5	-174.5	0	112.8	K305 L306 K311 L313 T869	K305-K309 WeakPolarHBondContact O-CB 3.47Å; K305-K309 PolarHBondContact O-N 3.09Å; K305-K309 VanDerWaalsContact O-N 3.13Å; L306-K309 PolarHBondContact O-N 2.9Å; K309-K311 VanDerWaalsContact C-N 3.34Å; K309-L313 HydrophobicContact CG-CD1 4.24Å; K309-L313 WeakPolarHBondContact O-CB 3.18Å; K309-L313 WeakPolarHBondContact O-CD1 3.44Å; K309-L313 VanDerWaalsContact O-CG 3.25Å; K309-L313 WeakPolarHBondContact O-CG 3.48Å; K309-L313 PolarHBondContact O-N 3.05Å; K309-T869 HydrophobicContact CD-CG2 4.45Å
310	A	79.2	Confident	78.4	Confident	5 Å²	5	79.7 Å²	79.7	4%	0.041	40%	0.398	C	S	.	.	H	α-helix	trans	-65.4	-40.4	176.2	0	0	0	0	0	110.8	L306 L308 Q314 L866 T870 L873	L306-A310 VanDerWaalsContact O-CB 3.27Å; L306-A310 WeakPolarHBondContact O-CB 3.38Å; L306-A310 PolarHBondContact O-N 2.56Å; L308-A310 PolarHBondContact O-N 2.9Å; A310-Q314 WeakPolarHBondContact O-CB 3.38Å; A310-Q314 PolarHBondContact O-N 3.47Å; A310-L866 HydrophobicContact CB-CD1 4.2Å; A310-L866 WeakPolarHBondContact O-CD1 3.46Å; A310-T870 HydrophobicContact CB-CG2 4.32Å; A310-L873 HydrophobicContact CB-CD1 4.26Å
311	K	79.9	Confident	77.9	Confident	127 Å²	127	79.8 Å²	79.8	55%	0.552	40%	0.404	S	S	*	.	H	α-helix	trans	-65.5	-45.9	177.2	-167.7	177.4	179.5	-178.8	0	112.2	E307 L308 K309 L313 Q314 D315	E307-K311 WeakPolarHBondContact O-CB 3.28Å; E307-K311 PolarHBondContact O-N 2.94Å; L308-K311 PolarHBondContact O-N 3.42Å; K309-K311 VanDerWaalsContact C-N 3.34Å; K311-L313 PolarHBondContact O-N 3.33Å; K311-Q314 WeakPolarHBondContact O-CB 2.84Å; K311-Q314 PolarHBondContact O-N 3.43Å; K311-Q314 VanDerWaalsContact O-N 3.16Å; K311-D315 PolarHBondContact O-N 2.95Å
312	D	78.3	Confident	77.8	Confident	95 Å²	95	78.9 Å²	78.9	51%	0.508	40%	0.402	S	S	.	.	H	α-helix	trans	-59.8	-46.9	177.1	-65.2	-21.8	0	0	0	111	L308 Q314 D315 E316	L308-D312 VanDerWaalsContact O-CG 3.23Å; L308-D312 PolarHBondContact O-N 2.79Å; D312-Q314 VanDerWaalsContact C-N 3.3Å; D312-Q314 PolarHBondContact O-N 2.77Å; D312-D315 PolarHBondContact O-N 3.02Å; D312-E316 WeakPolarHBondContact O-CG 3.37Å; D312-E316 PolarHBondContact O-N 3.37Å
313	L	75.3	Confident	77.7	Confident	26 Å²	26	79.6 Å²	79.6	14%	0.136	41%	0.405	C	S	.	.	H	α-helix	trans	-63.3	-35.6	176.1	-74.2	170	0	0	0	112.5	K309 K311 L317 V865 L866 T869	K309-L313 HydrophobicContact CG-CD1 4.24Å; K309-L313 WeakPolarHBondContact O-CB 3.18Å; K309-L313 WeakPolarHBondContact O-CD1 3.44Å; K309-L313 VanDerWaalsContact O-CG 3.25Å; K309-L313 WeakPolarHBondContact O-CG 3.48Å; K309-L313 PolarHBondContact O-N 3.05Å; K311-L313 PolarHBondContact O-N 3.33Å; L313-L317 WeakPolarHBondContact O-CB 3.4Å; L313-L317 WeakPolarHBondContact O-CD1 3.3Å; L313-L317 WeakPolarHBondContact O-CG 3.18Å; L313-L317 PolarHBondContact O-N 3.48Å; L313-V865 HydrophobicContact CD1-CG1 3.8Å; L313-L866 HydrophobicContact CB-CD1 3.91Å; L313-T869 HydrophobicContact CD1-CG2 4.29Å
314	Q	78	Confident	77.2	Confident	114 Å²	114	80.8 Å²	80.8	53%	0.533	41%	0.41	S	S	.	.	H	α-helix	trans	-69.5	-40.2	178	-171.7	172.3	1.4	0	0	111.5	A310 K311 D312 L317 A318 L866	A310-Q314 WeakPolarHBondContact O-CB 3.38Å; A310-Q314 PolarHBondContact O-N 3.47Å; K311-Q314 WeakPolarHBondContact O-CB 2.84Å; K311-Q314 PolarHBondContact O-N 3.43Å; K311-Q314 VanDerWaalsContact O-N 3.16Å; D312-Q314 VanDerWaalsContact C-N 3.3Å; D312-Q314 PolarHBondContact O-N 2.77Å; Q314-L317 PolarHBondContact O-N 3.1Å; Q314-A318 WeakPolarHBondContact O-CB 3.47Å; Q314-A318 PolarHBondContact O-N 3.37Å; Q314-L866 HydrophobicContact CB-CD1 4.16Å; Q314-L866 HydrophobicContact CB-CD2 4.24Å; Q314-L866 HydrophobicContact CG-CD2 4.42Å
315	D	77.6	Confident	77.2	Confident	99 Å²	99	84.7 Å²	84.7	53%	0.529	42%	0.421	S	S	.	.	H	α-helix	trans	-68	-40.6	175.6	-72.1	-21.1	0	0	0	111.2	K311 D312 A318 G319	K311-D315 PolarHBondContact O-N 2.95Å; D312-D315 PolarHBondContact O-N 3.02Å; D315-A318 PolarHBondContact O-N 3.26Å; D315-G319 PolarHBondContact O-N 3.4Å
316	E	73.4	Confident	77.2	Confident	123 Å²	123	84.6 Å²	84.6	58%	0.575	42%	0.416	S	S	*	.	H	α-helix	trans	-61	-46.2	171.9	-76.5	-177	171.5	0	0	112.1	D312 A318 G319 N320	D312-E316 WeakPolarHBondContact O-CG 3.37Å; D312-E316 PolarHBondContact O-N 3.37Å; E316-A318 PolarHBondContact O-N 3.41Å; E316-G319 PolarHBondContact O-N 3.13Å; E316-N320 WeakPolarHBondContact O-CB 3.3Å; E316-N320 VanDerWaalsContact O-CG 3.25Å; E316-N320 PolarHBondContact O-N 3.05Å
317	L	73.9	Confident	77.2	Confident	51 Å²	51	84.1 Å²	84.1	27%	0.267	41%	0.414	S	S	.	.	H	α-helix	trans	-62.6	-40.5	176.3	-91.1	158.8	0	0	0	112.4	L313 Q314 N320 S321 G862 L866	L313-L317 WeakPolarHBondContact O-CB 3.4Å; L313-L317 WeakPolarHBondContact O-CD1 3.3Å; L313-L317 WeakPolarHBondContact O-CG 3.18Å; L313-L317 PolarHBondContact O-N 3.48Å; Q314-L317 PolarHBondContact O-N 3.1Å; L317-N320 PolarHBondContact O-N 2.93Å; L317-S321 VanDerWaalsContact O-CB 3.28Å; L317-S321 WeakPolarHBondContact O-CB 3.43Å; L317-S321 PolarHBondContact O-N 2.94Å; L317-G862 WeakPolarHBondContact CD1-O 3.4Å; L317-L866 HydrophobicContact CD1-CB 3.85Å; L317-L866 HydrophobicContact CD1-CD2 3.51Å; L317-L866 HydrophobicContact CD1-CG 4.26Å
318	A	74.8	Confident	77	Confident	52 Å²	52	82.9 Å²	82.9	43%	0.43	41%	0.41	S	S	.	.	H	α-helix	trans	-62.1	-48.2	177.1	0	0	0	0	0	110.6	Q314 D315 E316 S321 E322	Q314-A318 WeakPolarHBondContact O-CB 3.47Å; Q314-A318 PolarHBondContact O-N 3.37Å; D315-A318 PolarHBondContact O-N 3.26Å; E316-A318 PolarHBondContact O-N 3.41Å; A318-S321 PolarHBondContact O-N 3.24Å; A318-S321 PolarHBondContact O-OG 3.04Å; A318-E322 PolarHBondContact O-N 2.72Å; A318-E322 VanDerWaalsContact O-N 3.07Å
319	G	76.6	Confident	77	Confident	33 Å²	33	85.3 Å²	85.3	34%	0.34	42%	0.416	S	S	.	.	H	α-helix	trans	-58.5	-48	175.5	0	0	0	0	0	113	D315 E316 S321 E322 Q323	D315-G319 PolarHBondContact O-N 3.4Å; E316-G319 PolarHBondContact O-N 3.13Å; G319-S321 VanDerWaalsContact C-N 3.34Å; G319-S321 PolarHBondContact O-N 3.36Å; G319-E322 PolarHBondContact O-N 3.04Å; G319-Q323 PolarHBondContact O-N 3.33Å
320	N	73.7	Confident	77.4	Confident	44 Å²	44	83 Å²	83	24%	0.235	41%	0.407	C	S	.	.	H	α-helix	trans	-64.5	-37.4	177.7	-71.4	-7.7	0	0	0	111.9	E316 L317 E322 R324 L857	E316-N320 WeakPolarHBondContact O-CB 3.3Å; E316-N320 VanDerWaalsContact O-CG 3.25Å; E316-N320 PolarHBondContact O-N 3.05Å; L317-N320 PolarHBondContact O-N 2.93Å; N320-E322 VanDerWaalsContact C-N 3.32Å; N320-E322 PolarHBondContact O-N 3.48Å; N320-R324 WeakPolarHBondContact O-CB 3.23Å; N320-R324 PolarHBondContact O-N 3.39Å; N320-L857 HydrophobicContact CB-CD2 3.77Å
321	S	71.2	Confident	77.7	Confident	59 Å²	59	87 Å²	87	41%	0.413	42%	0.421	S	S	.	.	H	α-helix	trans	-65.6	-36.3	176.9	87.6	0	0	0	0	112.3	L317 A318 G319 K325	L317-S321 VanDerWaalsContact O-CB 3.28Å; L317-S321 WeakPolarHBondContact O-CB 3.43Å; L317-S321 PolarHBondContact O-N 2.94Å; A318-S321 PolarHBondContact O-N 3.24Å; A318-S321 PolarHBondContact O-OG 3.04Å; G319-S321 VanDerWaalsContact C-N 3.34Å; G319-S321 PolarHBondContact O-N 3.36Å; S321-K325 WeakPolarHBondContact O-CG 3.31Å; S321-K325 PolarHBondContact O-N 3.35Å
322	E	77.1	Confident	77.7	Confident	104 Å²	104	86.8 Å²	86.8	49%	0.486	42%	0.422	S	S	.	.	H	α-helix	trans	-74.5	-43.3	-179	-154	-170.8	148.2	0	0	111	A318 G319 N320 R324 K325 R326	A318-E322 PolarHBondContact O-N 2.72Å; A318-E322 VanDerWaalsContact O-N 3.07Å; G319-E322 PolarHBondContact O-N 3.04Å; N320-E322 VanDerWaalsContact C-N 3.32Å; N320-E322 PolarHBondContact O-N 3.48Å; E322-R324 VanDerWaalsContact C-N 3.34Å; E322-R324 PolarHBondContact O-N 3.06Å; E322-K325 PolarHBondContact O-N 3.4Å; E322-R326 WeakPolarHBondContact O-CG 3.2Å; E322-R326 PolarHBondContact O-N 3.4Å; E322-R326 VanDerWaalsContact O-N 3.09Å; E322-R326 IonicContact OE1-CZ 2.7Å; E322-R326 IonicContact OE1-NE 3.55Å; E322-R326 IonicContact OE1-NH2 3.53Å; E322-R326 PolarHBondContact OE1-NH2 3.3Å
323	Q	76.6	Confident	78.1	Confident	105 Å²	105	88.7 Å²	88.7	49%	0.491	43%	0.426	S	S	.	.	H	α-helix	trans	-57.9	-46.1	170.1	-81.8	-178.8	-21.1	0	0	111.5	G319 K325 R326 L327 L857	G319-Q323 PolarHBondContact O-N 3.33Å; Q323-K325 VanDerWaalsContact C-N 3.34Å; Q323-K325 PolarHBondContact O-N 3.07Å; Q323-R326 WeakPolarHBondContact O-CB 3.4Å; Q323-R326 PolarHBondContact O-N 3.16Å; Q323-R326 VanDerWaalsContact O-N 3.08Å; Q323-L327 PolarHBondContact O-N 3.24Å; Q323-L857 HydrophobicContact CB-CD1 4.21Å; Q323-L857 HydrophobicContact CB-CD2 4.45Å
324	R	76.6	Confident	78.5	Confident	101 Å²	101	88.3 Å²	88.3	38%	0.381	42%	0.424	S	S	.	.	H	α-helix	trans	-59.3	-42.1	176.6	-178	172.1	176.9	-172.4	-3.2	112.5	N320 E322 R326 L327 L328 L854	N320-R324 WeakPolarHBondContact O-CB 3.23Å; N320-R324 PolarHBondContact O-N 3.39Å; E322-R324 VanDerWaalsContact C-N 3.34Å; E322-R324 PolarHBondContact O-N 3.06Å; R324-R326 VanDerWaalsContact C-N 3.32Å; R324-R326 PolarHBondContact O-N 3.32Å; R324-L327 PolarHBondContact O-N 3.2Å; R324-L328 HydrophobicContact CG-CD1 4.11Å; R324-L328 HydrophobicContact CG-CG 4.44Å; R324-L328 WeakPolarHBondContact O-CB 3.43Å; R324-L328 VanDerWaalsContact O-CG 3.3Å; R324-L328 WeakPolarHBondContact O-CG 3.33Å; R324-L328 PolarHBondContact O-N 3.15Å; R324-L854 HydrophobicContact CG-CD2 3.85Å
325	K	77.2	Confident	78.6	Confident	144 Å²	144	86.1 Å²	86.1	63%	0.626	42%	0.415	S	S	*	.	H	α-helix	trans	-62.1	-37.8	174.9	-80.6	178.9	-178.1	173	0	112.3	S321 E322 Q323 K329	S321-K325 WeakPolarHBondContact O-CG 3.31Å; S321-K325 PolarHBondContact O-N 3.35Å; E322-K325 PolarHBondContact O-N 3.4Å; Q323-K325 VanDerWaalsContact C-N 3.34Å; Q323-K325 PolarHBondContact O-N 3.07Å; K325-K329 PolarHBondContact O-N 2.94Å
326	R	80.9	Confident	78.9	Confident	161 Å²	161	86.7 Å²	86.7	61%	0.608	42%	0.415	S	S	*	.	H	α-helix	trans	-66.4	-47.8	176.6	-68.4	175.8	-170.7	-172.6	5.3	111.1	E322 Q323 R324 L328 K329 E330	E322-R326 WeakPolarHBondContact O-CG 3.2Å; E322-R326 PolarHBondContact O-N 3.4Å; E322-R326 VanDerWaalsContact O-N 3.09Å; E322-R326 IonicContact OE1-CZ 2.7Å; E322-R326 IonicContact OE1-NE 3.55Å; E322-R326 IonicContact OE1-NH2 3.53Å; E322-R326 PolarHBondContact OE1-NH2 3.3Å; Q323-R326 WeakPolarHBondContact O-CB 3.4Å; Q323-R326 PolarHBondContact O-N 3.16Å; Q323-R326 VanDerWaalsContact O-N 3.08Å; R324-R326 VanDerWaalsContact C-N 3.32Å; R324-R326 PolarHBondContact O-N 3.32Å; R326-L328 PolarHBondContact O-N 2.91Å; R326-K329 WeakPolarHBondContact O-CB 3.16Å; R326-K329 PolarHBondContact O-N 3.07Å; R326-E330 PolarHBondContact O-N 3.49Å
327	L	80.5	Confident	79.3	Confident	18 Å²	18	85.9 Å²	85.9	9%	0.094	41%	0.41	C	S	.	.	H	α-helix	trans	-65.4	-37.2	178.4	-68.4	170.9	0	0	0	112.9	Q323 R324 K329 E330 R331 V850 E853 L854 L857	Q323-L327 PolarHBondContact O-N 3.24Å; R324-L327 PolarHBondContact O-N 3.2Å; L327-K329 VanDerWaalsContact C-N 3.35Å; L327-K329 PolarHBondContact O-N 3.33Å; L327-E330 PolarHBondContact O-N 3.05Å; L327-R331 WeakPolarHBondContact O-CB 3.44Å; L327-R331 PolarHBondContact O-N 3.19Å; L327-V850 HydrophobicContact CB-CG1 4.28Å; L327-V850 HydrophobicContact CD2-CG1 4.26Å; L327-E853 HydrophobicContact CD1-CB 3.89Å; L327-E853 VanDerWaalsContact CD2-OE2 3.26Å; L327-E853 WeakPolarHBondContact CD2-OE2 3.37Å; L327-L854 HydrophobicContact CB-CD1 4.28Å; L327-L854 HydrophobicContact CB-CD2 4.09Å; L327-L854 HydrophobicContact CB-CG 3.89Å; L327-L854 HydrophobicContact CD1-CG 4.45Å; L327-L857 HydrophobicContact CD1-CD1 3.36Å
328	L	77.1	Confident	79.7	Confident	68 Å²	68	83.9 Å²	83.9	36%	0.356	40%	0.399	S	S	.	.	H	α-helix	trans	-62.5	-40.4	173.4	-77	171.1	0	0	0	112.3	R324 R326 Q332 L854	R324-L328 HydrophobicContact CG-CD1 4.11Å; R324-L328 HydrophobicContact CG-CG 4.44Å; R324-L328 WeakPolarHBondContact O-CB 3.43Å; R324-L328 VanDerWaalsContact O-CG 3.3Å; R324-L328 WeakPolarHBondContact O-CG 3.33Å; R324-L328 PolarHBondContact O-N 3.15Å; R326-L328 PolarHBondContact O-N 2.91Å; L328-Q332 WeakPolarHBondContact O-CB 3.32Å; L328-Q332 PolarHBondContact O-N 3.42Å; L328-L854 HydrophobicContact CD2-CD1 4.18Å; L328-L854 HydrophobicContact CD2-CD2 3.99Å; L328-L854 HydrophobicContact CG-CD2 3.9Å
329	K	82.4	Confident	80	Confident	150 Å²	150	86.3 Å²	86.3	65%	0.652	40%	0.402	S	S	*	.	H	α-helix	trans	-65.6	-38.6	173.4	-77.6	-178.4	177.3	-178.8	0	111.9	K325 R326 L327 K333	K325-K329 PolarHBondContact O-N 2.94Å; R326-K329 WeakPolarHBondContact O-CB 3.16Å; R326-K329 PolarHBondContact O-N 3.07Å; L327-K329 VanDerWaalsContact C-N 3.35Å; L327-K329 PolarHBondContact O-N 3.33Å; K329-K333 WeakPolarHBondContact O-CG 3.47Å; K329-K333 PolarHBondContact O-N 2.79Å; K329-K333 VanDerWaalsContact O-N 3.14Å
330	E	84.2	Confident	80.3	Confident	65 Å²	65	90.6 Å²	90.6	30%	0.304	41%	0.413	S	S	.	.	H	α-helix	trans	-65.6	-46.2	175.6	-170.1	174	169.3	0	0	111.2	R326 L327 Q332 K333 L334 R846 V850	R326-E330 PolarHBondContact O-N 3.49Å; L327-E330 PolarHBondContact O-N 3.05Å; E330-Q332 VanDerWaalsContact C-N 3.33Å; E330-Q332 PolarHBondContact O-N 2.85Å; E330-K333 PolarHBondContact O-N 3.35Å; E330-L334 HydrophobicContact CG-CD1 4.14Å; E330-L334 WeakPolarHBondContact O-CG 3.36Å; E330-L334 PolarHBondContact O-N 2.89Å; E330-R846 IonicContact OE1-CZ 3.56Å; E330-R846 IonicContact OE1-NE 3.27Å; E330-R846 PolarHBondContact OE1-NE 3.38Å; E330-R846 IonicContact OE1-NH2 3.89Å; E330-R846 PolarHBondContact OE1-NH2 2.89Å; E330-R846 IonicContact OE2-NH2 3.67Å; E330-V850 HydrophobicContact CG-CG2 4.27Å
331	R	85.4	Confident	80.7	Confident	88 Å²	88	91.1 Å²	91.1	33%	0.332	41%	0.413	S	S	.	.	H	α-helix	trans	-55.3	-46.8	173.7	178.5	175.2	168.8	-101.3	-3.2	111.7	L327 L334 L335 L847 V850 E851 L854	L327-R331 WeakPolarHBondContact O-CB 3.44Å; L327-R331 PolarHBondContact O-N 3.19Å; R331-L334 PolarHBondContact O-N 3.29Å; R331-L335 HydrophobicContact CG-CD1 4.08Å; R331-L335 HydrophobicContact CG-CG 4.49Å; R331-L335 WeakPolarHBondContact O-CG 3.48Å; R331-L335 PolarHBondContact O-N 2.9Å; R331-L847 HydrophobicContact CG-CD1 4Å; R331-V850 HydrophobicContact CB-CG1 3.95Å; R331-E851 IonicContact CZ-OE1 3.69Å; R331-E851 IonicContact NE-OE1 3.97Å; R331-E851 PolarHBondContact NE-OE1 3.39Å; R331-E851 VanDerWaalsContact NE-OE1 3.08Å; R331-E851 IonicContact NH2-OE1 3.13Å; R331-L854 HydrophobicContact CB-CD1 4.28Å
332	Q	81.7	Confident	81	Confident	122 Å²	122	91.7 Å²	91.7	57%	0.57	41%	0.409	S	S	*	.	H	α-helix	trans	-64.2	-43.7	-179.6	-172.2	150.1	3	0	0	112.2	L328 E330 L334 L335 E336	L328-Q332 WeakPolarHBondContact O-CB 3.32Å; L328-Q332 PolarHBondContact O-N 3.42Å; E330-Q332 VanDerWaalsContact C-N 3.33Å; E330-Q332 PolarHBondContact O-N 2.85Å; Q332-L334 VanDerWaalsContact C-N 3.3Å; Q332-L334 PolarHBondContact O-N 3.2Å; Q332-L335 PolarHBondContact O-N 3.41Å; Q332-E336 WeakPolarHBondContact O-CG 3.37Å; Q332-E336 PolarHBondContact O-N 3.17Å
333	K	85.2	Confident	81.2	Confident	136 Å²	136	91.7 Å²	91.7	59%	0.591	41%	0.407	S	S	*	.	H	α-helix	trans	-62.6	-35.7	173.9	-72.6	178.6	178.9	-176.2	0	113	K329 E330 K337	K329-K333 WeakPolarHBondContact O-CG 3.47Å; K329-K333 PolarHBondContact O-N 2.79Å; K329-K333 VanDerWaalsContact O-N 3.14Å; E330-K333 PolarHBondContact O-N 3.35Å; K333-K337 WeakPolarHBondContact O-CG 3.48Å; K333-K337 PolarHBondContact O-N 2.94Å; K333-K337 VanDerWaalsContact O-N 3.17Å
334	L	85	Confident	81.5	Confident	18 Å²	18	90 Å²	90	9%	0.094	40%	0.399	C	S	.	.	H	α-helix	trans	-68.5	-43.3	175.7	-74.6	166.9	0	0	0	111	E330 R331 Q332 K337 I338 L843 R846 L847 V850	E330-L334 HydrophobicContact CG-CD1 4.14Å; E330-L334 WeakPolarHBondContact O-CG 3.36Å; E330-L334 PolarHBondContact O-N 2.89Å; R331-L334 PolarHBondContact O-N 3.29Å; Q332-L334 VanDerWaalsContact C-N 3.3Å; Q332-L334 PolarHBondContact O-N 3.2Å; L334-K337 PolarHBondContact O-N 3.42Å; L334-I338 WeakPolarHBondContact O-CB 3.44Å; L334-I338 WeakPolarHBondContact O-CG1 3.38Å; L334-I338 PolarHBondContact O-N 3.4Å; L334-L843 HydrophobicContact CD2-CD2 3.96Å; L334-R846 HydrophobicContact CD1-CB 4.39Å; L334-R846 HydrophobicContact CD1-CG 3.84Å; L334-R846 HydrophobicContact CD2-CB 4.42Å; L334-R846 HydrophobicContact CD2-CG 4.21Å; L334-L847 HydrophobicContact CB-CD1 3.93Å; L334-V850 HydrophobicContact CD1-CG2 4.07Å
335	L	79.7	Confident	81.6	Confident	67 Å²	67	86.4 Å²	86.4	35%	0.351	39%	0.388	S	S	.	.	H	α-helix	trans	-61.3	-45	175.8	-73.3	170.5	0	0	0	112.1	R331 Q332 K337 I338 E339 L847	R331-L335 HydrophobicContact CG-CD1 4.08Å; R331-L335 HydrophobicContact CG-CG 4.49Å; R331-L335 WeakPolarHBondContact O-CG 3.48Å; R331-L335 PolarHBondContact O-N 2.9Å; Q332-L335 PolarHBondContact O-N 3.41Å; L335-K337 VanDerWaalsContact C-N 3.34Å; L335-K337 PolarHBondContact O-N 3.36Å; L335-I338 PolarHBondContact O-N 2.84Å; L335-E339 WeakPolarHBondContact O-CB 3.36Å; L335-E339 PolarHBondContact O-N 3.22Å; L335-L847 HydrophobicContact CD2-CD1 3.98Å; L335-L847 HydrophobicContact CD2-CD2 4.05Å; L335-L847 HydrophobicContact CG-CD1 3.93Å
336	E	83.9	Confident	81.5	Confident	112 Å²	112	85.6 Å²	85.6	52%	0.523	39%	0.386	S	S	.	.	H	α-helix	trans	-58.6	-44.8	175.5	-73.9	168.6	-172.3	0	0	111.7	Q332 E339 E340	Q332-E336 WeakPolarHBondContact O-CG 3.37Å; Q332-E336 PolarHBondContact O-N 3.17Å; E336-E339 PolarHBondContact O-N 3.24Å; E336-E340 WeakPolarHBondContact O-CB 3.47Å; E336-E340 PolarHBondContact O-N 3.47Å
337	K	82.7	Confident	81.5	Confident	105 Å²	105	83.9 Å²	83.9	46%	0.457	39%	0.385	S	S	.	.	H	α-helix	trans	-66.9	-36.2	176.1	-76.2	177	178.2	-178.3	0	113.2	K333 L334 L335 E339 K341 L843	K333-K337 WeakPolarHBondContact O-CG 3.48Å; K333-K337 PolarHBondContact O-N 2.94Å; K333-K337 VanDerWaalsContact O-N 3.17Å; L334-K337 PolarHBondContact O-N 3.42Å; L335-K337 VanDerWaalsContact C-N 3.34Å; L335-K337 PolarHBondContact O-N 3.36Å; K337-E339 VanDerWaalsContact C-N 3.35Å; K337-K341 WeakPolarHBondContact O-CB 3.45Å; K337-K341 WeakPolarHBondContact O-CG 3.39Å; K337-K341 PolarHBondContact O-N 3.41Å; K337-L843 HydrophobicContact CB-CD1 4.35Å; K337-L843 HydrophobicContact CB-CD2 4.18Å; K337-L843 HydrophobicContact CD-CD2 4.44Å
338	I	80.6	Confident	81.4	Confident	10 Å²	10	83.8 Å²	83.8	5%	0.051	39%	0.386	C	S	.	.	H	α-helix	trans	-65.2	-43.6	174.9	-73.4	166.3	0	0	0	109.5	L334 L335 K341 Q342 L839 L843 R844 L847	L334-I338 WeakPolarHBondContact O-CB 3.44Å; L334-I338 WeakPolarHBondContact O-CG1 3.38Å; L334-I338 PolarHBondContact O-N 3.4Å; L335-I338 PolarHBondContact O-N 2.84Å; I338-K341 PolarHBondContact O-N 2.79Å; I338-Q342 HydrophobicContact CG2-CG 4.5Å; I338-Q342 VanDerWaalsContact O-CB 3.28Å; I338-Q342 WeakPolarHBondContact O-CB 3.37Å; I338-Q342 PolarHBondContact O-N 2.76Å; I338-L839 HydrophobicContact CG2-CD2 4.18Å; I338-L843 HydrophobicContact CD1-CB 4.14Å; I338-L843 HydrophobicContact CG1-CB 3.61Å; I338-L843 HydrophobicContact CG1-CD1 4.07Å; I338-L843 HydrophobicContact CG1-CG 4.39Å; I338-R844 HydrophobicContact CD1-CG 4.34Å; I338-L847 HydrophobicContact CD1-CB 4.21Å; I338-L847 HydrophobicContact CD1-CD1 4.37Å; I338-L847 HydrophobicContact CD1-CD2 3.99Å; I338-L847 HydrophobicContact CD1-CG 4.43Å
339	E	80.8	Confident	81.3	Confident	103 Å²	103	84.3 Å²	84.3	48%	0.481	39%	0.386	S	S	.	.	H	α-helix	trans	-65.3	-42.2	178.9	-162.7	-171	149.8	0	0	111.6	L335 E336 K337 Q342 K343	L335-E339 WeakPolarHBondContact O-CB 3.36Å; L335-E339 PolarHBondContact O-N 3.22Å; E336-E339 PolarHBondContact O-N 3.24Å; K337-E339 VanDerWaalsContact C-N 3.35Å; E339-Q342 PolarHBondContact O-N 3.34Å; E339-K343 WeakPolarHBondContact O-CG 3.43Å; E339-K343 PolarHBondContact O-N 3.37Å; E339-K343 WeakPolarHBondContact OE1-CE 3.44Å; E339-K343 IonicContact OE1-NZ 2.73Å; E339-K343 PolarHBondContact OE1-NZ 2.87Å
340	E	84.8	Confident	81.1	Confident	123 Å²	123	80.7 Å²	80.7	58%	0.575	38%	0.378	S	S	*	.	H	α-helix	trans	-57.9	-49.1	173.5	-174.5	-174.4	-175.7	0	0	111.4	E336 K343 E344	E336-E340 WeakPolarHBondContact O-CB 3.47Å; E336-E340 PolarHBondContact O-N 3.47Å; E340-K343 PolarHBondContact O-N 2.99Å; E340-E344 PolarHBondContact O-N 3.17Å
341	K	82.2	Confident	80.8	Confident	54 Å²	54	83 Å²	83	24%	0.235	39%	0.387	C	S	.	.	H	α-helix	trans	-72.3	-28.3	179	-66.6	-65	171	-167.2	0	113.4	K337 I338 E344 L345 V835 Y838 L839 L843	K337-K341 WeakPolarHBondContact O-CB 3.45Å; K337-K341 WeakPolarHBondContact O-CG 3.39Å; K337-K341 PolarHBondContact O-N 3.41Å; I338-K341 PolarHBondContact O-N 2.79Å; K341-E344 WeakPolarHBondContact CD-OE2 3.31Å; K341-E344 WeakPolarHBondContact CE-OE2 3.28Å; K341-E344 IonicContact NZ-OE1 3.72Å; K341-E344 IonicContact NZ-OE2 3.28Å; K341-E344 PolarHBondContact NZ-OE2 2.65Å; K341-L345 WeakPolarHBondContact O-CB 3.28Å; K341-L345 PolarHBondContact O-N 3Å; K341-V835 HydrophobicContact CB-CG1 4.32Å; K341-V835 WeakPolarHBondContact O-CG1 3.45Å; K341-Y838 HydrophobicContact CG-CD1 4.31Å; K341-Y838 HydrophobicContact CG-CE1 4.48Å; K341-L839 HydrophobicContact CB-CD1 3.75Å; K341-L839 HydrophobicContact CB-CG 4.41Å; K341-L843 HydrophobicContact CB-CD1 4.5Å; K341-L843 HydrophobicContact CG-CD1 4.17Å
342	Q	77.6	Confident	80.5	Confident	71 Å²	71	80 Å²	80	33%	0.332	38%	0.377	S	S	.	.	H	α-helix	trans	-69.2	-38.4	170.4	-94.2	178.1	-47.7	0	0	111.6	I338 E339 L345 Q346 L839	I338-Q342 HydrophobicContact CG2-CG 4.5Å; I338-Q342 VanDerWaalsContact O-CB 3.28Å; I338-Q342 WeakPolarHBondContact O-CB 3.37Å; I338-Q342 PolarHBondContact O-N 2.76Å; E339-Q342 PolarHBondContact O-N 3.34Å; Q342-L345 WeakPolarHBondContact O-CB 3.47Å; Q342-L345 PolarHBondContact O-N 2.94Å; Q342-Q346 WeakPolarHBondContact O-CB 3.5Å; Q342-Q346 WeakPolarHBondContact O-CG 3.36Å; Q342-Q346 PolarHBondContact O-N 3.04Å; Q342-L839 HydrophobicContact CG-CD1 3.86Å; Q342-L839 HydrophobicContact CG-CD2 4.4Å
343	K	80.7	Confident	80.1	Confident	104 Å²	104	77.6 Å²	77.6	45%	0.452	37%	0.368	S	S	.	.	H	α-helix	trans	-64.2	-44.4	172.5	-77.4	174.2	-174.9	158.4	0	111.2	E339 E340 L345 Q346 E347	E339-K343 WeakPolarHBondContact O-CG 3.43Å; E339-K343 PolarHBondContact O-N 3.37Å; E339-K343 WeakPolarHBondContact OE1-CE 3.44Å; E339-K343 IonicContact OE1-NZ 2.73Å; E339-K343 PolarHBondContact OE1-NZ 2.87Å; E340-K343 PolarHBondContact O-N 2.99Å; K343-L345 VanDerWaalsContact C-N 3.27Å; K343-L345 PolarHBondContact O-N 3.28Å; K343-Q346 PolarHBondContact O-N 2.85Å; K343-Q346 VanDerWaalsContact O-N 3.17Å; K343-E347 WeakPolarHBondContact O-CG 3.38Å; K343-E347 PolarHBondContact O-N 2.89Å
344	E	81.8	Confident	79.6	Confident	69 Å²	69	75.6 Å²	75.6	32%	0.322	36%	0.361	S	S	.	.	H	α-helix	trans	-57.8	-41.5	173.5	-169	178	176.4	0	0	111.1	E340 K341 T348 V835	E340-E344 PolarHBondContact O-N 3.17Å; K341-E344 WeakPolarHBondContact CD-OE2 3.31Å; K341-E344 WeakPolarHBondContact CE-OE2 3.28Å; K341-E344 IonicContact NZ-OE1 3.72Å; K341-E344 IonicContact NZ-OE2 3.28Å; K341-E344 PolarHBondContact NZ-OE2 2.65Å; E344-T348 WeakPolarHBondContact O-CB 3.42Å; E344-T348 PolarHBondContact O-N 2.91Å; E344-T348 PolarHBondContact O-OG1 2.89Å; E344-V835 HydrophobicContact CG-CG2 4.45Å
345	L	78.5	Confident	79.1	Confident	27 Å²	27	75.1 Å²	75.1	14%	0.141	36%	0.359	C	S	.	.	H	α-helix	trans	-64.7	-48.1	173.9	-162.1	79	0	0	0	111.8	K341 Q342 K343 E347 T348 E349 M832 V835 E836	K341-L345 WeakPolarHBondContact O-CB 3.28Å; K341-L345 PolarHBondContact O-N 3Å; Q342-L345 WeakPolarHBondContact O-CB 3.47Å; Q342-L345 PolarHBondContact O-N 2.94Å; K343-L345 VanDerWaalsContact C-N 3.27Å; K343-L345 PolarHBondContact O-N 3.28Å; L345-E347 VanDerWaalsContact C-N 3.27Å; L345-E347 PolarHBondContact O-N 3.05Å; L345-T348 PolarHBondContact O-N 2.87Å; L345-E349 WeakPolarHBondContact O-CB 3.37Å; L345-E349 PolarHBondContact O-N 2.9Å; L345-M832 HydrophobicContact CD1-CB 4.42Å; L345-M832 HydrophobicContact CD1-CG 4.13Å; L345-V835 HydrophobicContact CB-CG1 4.18Å; L345-V835 HydrophobicContact CD1-CB 4.17Å; L345-V835 HydrophobicContact CD1-CG1 3.94Å; L345-E836 HydrophobicContact CD1-CG 3.76Å; L345-E836 HydrophobicContact CD2-CG 4.25Å
346	Q	75.6	Confident	78.5	Confident	126 Å²	126	75.5 Å²	75.5	59%	0.589	36%	0.358	S	S	*	.	H	α-helix	trans	-64.6	-25.2	179.8	-78.9	179.5	-11.4	0	0	113.9	Q342 K343 P350	Q342-Q346 WeakPolarHBondContact O-CB 3.5Å; Q342-Q346 WeakPolarHBondContact O-CG 3.36Å; Q342-Q346 PolarHBondContact O-N 3.04Å; K343-Q346 PolarHBondContact O-N 2.85Å; K343-Q346 VanDerWaalsContact O-N 3.17Å; Q346-P350 WeakPolarHBondContact O-CD 3.5Å; Q346-P350 VanDerWaalsContact O-CG 3.27Å; Q346-P350 WeakPolarHBondContact O-CG 3.34Å
347	E	80.6	Confident	77.7	Confident	125 Å²	125	74.9 Å²	74.9	58%	0.584	36%	0.355	S	S	*	.	H	α-helix	trans	-81.1	-29.2	172.5	-73.9	-177.4	-174.5	0	0	112.6	K343 L345 K351	K343-E347 WeakPolarHBondContact O-CG 3.38Å; K343-E347 PolarHBondContact O-N 2.89Å; L345-E347 VanDerWaalsContact C-N 3.27Å; L345-E347 PolarHBondContact O-N 3.05Å; E347-K351 WeakPolarHBondContact O-CD 3.29Å; E347-K351 WeakPolarHBondContact O-CE 3.22Å
348	T	80	Confident	77	Confident	17 Å²	17	74.5 Å²	74.5	10%	0.104	35%	0.354	C	S	.	.	H	α-helix	trans	-89	-34.4	-176.1	-44.9	0	0	0	0	111.6	E344 L345 K351 F352 L828 I831 M832	E344-T348 WeakPolarHBondContact O-CB 3.42Å; E344-T348 PolarHBondContact O-N 2.91Å; E344-T348 PolarHBondContact O-OG1 2.89Å; L345-T348 PolarHBondContact O-N 2.87Å; T348-K351 WeakPolarHBondContact O-CB 3.31Å; T348-K351 PolarHBondContact O-N 3.17Å; T348-F352 WeakPolarHBondContact O-CB 3.42Å; T348-F352 PolarHBondContact O-N 2.82Å; T348-L828 HydrophobicContact CG2-CD2 3.84Å; T348-I831 HydrophobicContact CG2-CG2 4.15Å; T348-M832 HydrophobicContact CG2-CG 4.34Å
349	E	74.9	Confident	76.2	Confident	79 Å²	79	75.1 Å²	75.1	37%	0.369	36%	0.356	S	S	.	.	H	α-helix	trans	-59.5	-46.9	179.2	-173.8	174.7	-163.6	0	0	114.1	L345 K351 F352 N353	L345-E349 WeakPolarHBondContact O-CB 3.37Å; L345-E349 PolarHBondContact O-N 2.9Å; E349-K351 VanDerWaalsContact C-N 3.3Å; E349-K351 PolarHBondContact O-N 2.95Å; E349-F352 PolarHBondContact O-N 2.97Å; E349-N353 VanDerWaalsContact O-CB 3.3Å; E349-N353 WeakPolarHBondContact O-CB 3.12Å; E349-N353 VanDerWaalsContact O-CG 3.31Å; E349-N353 PolarHBondContact O-N 2.8Å; E349-N353 PolarHBondContact O-ND2 2.76Å
350	P	78.1	Confident	75	Confident	74 Å²	74	74.4 Å²	74.4	48%	0.481	35%	0.353	S	S	.	.	H	α-helix	trans	-68.1	-30.8	176.2	25.8	-34	0	0	0	112	Q346 M354	Q346-P350 WeakPolarHBondContact O-CD 3.5Å; Q346-P350 VanDerWaalsContact O-CG 3.27Å; Q346-P350 WeakPolarHBondContact O-CG 3.34Å; P350-M354 WeakPolarHBondContact O-CB 3.5Å; P350-M354 PolarHBondContact O-N 2.89Å
351	K	78.3	Confident	73.7	Confident	114 Å²	114	75.8 Å²	75.8	50%	0.496	35%	0.353	S	S	.	.	H	α-helix	trans	-69.5	-43.5	174.2	-64.5	172.6	-173.4	161.4	0	110.5	E347 T348 E349 M354 V355 L828	E347-K351 WeakPolarHBondContact O-CD 3.29Å; E347-K351 WeakPolarHBondContact O-CE 3.22Å; T348-K351 WeakPolarHBondContact O-CB 3.31Å; T348-K351 PolarHBondContact O-N 3.17Å; E349-K351 VanDerWaalsContact C-N 3.3Å; E349-K351 PolarHBondContact O-N 2.95Å; K351-M354 PolarHBondContact O-N 2.82Å; K351-V355 VanDerWaalsContact O-CG2 3.31Å; K351-V355 WeakPolarHBondContact O-CG2 3.4Å; K351-V355 PolarHBondContact O-N 3.18Å; K351-L828 HydrophobicContact CB-CD1 4.35Å
352	F	77.4	Confident	72.3	Confident	25 Å²	25	73.5 Å²	73.5	11%	0.11	34%	0.344	C	S	.	.	H	α-helix	trans	-62.5	-48.7	173.4	174.6	-101.6	0	0	0	111	T348 E349 M354 V355 K356 R825 L828 E829 M832	T348-F352 WeakPolarHBondContact O-CB 3.42Å; T348-F352 PolarHBondContact O-N 2.82Å; E349-F352 PolarHBondContact O-N 2.97Å; F352-M354 VanDerWaalsContact C-N 3.31Å; F352-M354 PolarHBondContact O-N 2.99Å; F352-V355 CarbonylContact O-C 3.54Å; F352-V355 PolarHBondContact O-N 2.99Å; F352-K356 HydrophobicContact CE1-CD 3.95Å; F352-K356 HydrophobicContact CZ-CD 4.31Å; F352-K356 WeakPolarHBondContact O-CB 3.47Å; F352-K356 PolarHBondContact O-N 2.98Å; F352-R825 HydrophobicContact CE2-CG 3.88Å; F352-L828 HydrophobicContact CB-CB 4.27Å; F352-L828 HydrophobicContact CD2-CB 4.04Å; F352-E829 HydrophobicContact CD2-CB 4.44Å; F352-E829 HydrophobicContact CE2-CB 3.85Å; F352-E829 HydrophobicContact CE2-CG 4.26Å; F352-M832 HydrophobicContact CB-SD 3.62Å; F352-M832 HydrophobicContact CD1-CE 4.37Å; F352-M832 HydrophobicContact CD1-SD 3.59Å; F352-M832 VanDerWaalsContact CD1-SD 3.59Å; F352-M832 HydrophobicContact CD2-SD 4.3Å; F352-M832 HydrophobicContact CE1-SD 4.33Å; F352-M832 HydrophobicContact CG-SD 3.57Å; F352-M832 VanDerWaalsContact CG-SD 3.57Å
353	N	73.1	Confident	71.1	Confident	71 Å²	71	74.7 Å²	74.7	38%	0.38	35%	0.352	S	S	.	.	H	α-helix	trans	-63.1	-35.8	177.4	-74.8	-20.2	0	0	0	111.9	E349 K356 E357	E349-N353 VanDerWaalsContact O-CB 3.3Å; E349-N353 WeakPolarHBondContact O-CB 3.12Å; E349-N353 VanDerWaalsContact O-CG 3.31Å; E349-N353 PolarHBondContact O-N 2.8Å; E349-N353 PolarHBondContact O-ND2 2.76Å; N353-K356 PolarHBondContact O-N 3.17Å; N353-E357 WeakPolarHBondContact O-CB 3.47Å; N353-E357 PolarHBondContact O-N 3.14Å
354	M	74.6	Confident	69.7	Low	93 Å²	93	74 Å²	74	46%	0.458	36%	0.36	S	S	.	.	H	α-helix	trans	-69	-39.8	174.3	-172.3	-179.2	66.1	0	0	112	P350 K351 F352 K358	P350-M354 WeakPolarHBondContact O-CB 3.5Å; P350-M354 PolarHBondContact O-N 2.89Å; K351-M354 PolarHBondContact O-N 2.82Å; F352-M354 VanDerWaalsContact C-N 3.31Å; F352-M354 PolarHBondContact O-N 2.99Å; M354-K358 WeakPolarHBondContact O-CB 3.44Å; M354-K358 WeakPolarHBondContact O-CG 3.17Å; M354-K358 PolarHBondContact O-N 2.93Å
355	V	74.8	Confident	68.4	Low	9 Å²	9	71.9 Å²	71.9	6%	0.055	35%	0.353	C	S	.	.	H	α-helix	trans	-69.8	-37.7	174.6	172.9	0	0	0	0	110.9	K351 F352 K358 E359 E824 R825 L828	K351-V355 VanDerWaalsContact O-CG2 3.31Å; K351-V355 WeakPolarHBondContact O-CG2 3.4Å; K351-V355 PolarHBondContact O-N 3.18Å; F352-V355 CarbonylContact O-C 3.54Å; F352-V355 PolarHBondContact O-N 2.99Å; V355-K358 CarbonylContact O-C 3.51Å; V355-K358 WeakPolarHBondContact O-CB 3.28Å; V355-K358 PolarHBondContact O-N 3.2Å; V355-E359 WeakPolarHBondContact O-CB 3.26Å; V355-E359 PolarHBondContact O-N 3.19Å; V355-E824 HydrophobicContact CG1-CB 4.2Å; V355-R825 HydrophobicContact CG1-CB 4.14Å; V355-L828 HydrophobicContact CB-CD1 4.34Å; V355-L828 HydrophobicContact CG2-CD1 3.9Å
356	K	68.3	Low	67.4	Low	74 Å²	74	74.2 Å²	74.2	32%	0.322	36%	0.363	S	S	.	.	H	α-helix	trans	-67.7	-40.9	174.9	-172.3	-171.3	179.6	-144.7	0	111.4	F352 N353 K358 E359 E360	F352-K356 HydrophobicContact CE1-CD 3.95Å; F352-K356 HydrophobicContact CZ-CD 4.31Å; F352-K356 WeakPolarHBondContact O-CB 3.47Å; F352-K356 PolarHBondContact O-N 2.98Å; N353-K356 PolarHBondContact O-N 3.17Å; K356-K358 VanDerWaalsContact C-N 3.32Å; K356-E359 CarbonylContact O-C 3.58Å; K356-E359 WeakPolarHBondContact O-CB 3.46Å; K356-E359 PolarHBondContact O-N 2.87Å; K356-E360 WeakPolarHBondContact CE-OE1 3.5Å; K356-E360 HydrophobicContact CG-CG 4.4Å; K356-E360 IonicContact NZ-OE1 2.85Å; K356-E360 PolarHBondContact NZ-OE1 3.31Å; K356-E360 VanDerWaalsContact O-CB 3.29Å; K356-E360 WeakPolarHBondContact O-CB 3.45Å; K356-E360 VanDerWaalsContact O-CG 3.28Å; K356-E360 WeakPolarHBondContact O-CG 3.47Å; K356-E360 PolarHBondContact O-N 3.43Å
357	E	67.4	Low	66.6	Low	99 Å²	99	69.8 Å²	69.8	46%	0.463	35%	0.346	S	S	.	.	H	α-helix	trans	-72.3	-29.4	176	-164.6	-166.8	-150.7	0	0	110.8	N353 R361	N353-E357 WeakPolarHBondContact O-CB 3.47Å; N353-E357 PolarHBondContact O-N 3.14Å; E357-R361 VanDerWaalsContact O-CB 3.24Å; E357-R361 WeakPolarHBondContact O-CB 3.37Å; E357-R361 VanDerWaalsContact O-CG 3.25Å; E357-R361 WeakPolarHBondContact O-CG 3.48Å; E357-R361 PolarHBondContact O-N 3.3Å; E357-R361 PolarHBondContact O-NE 3.25Å; E357-R361 IonicContact OE2-CZ 2.94Å; E357-R361 IonicContact OE2-NH2 3.6Å; E357-R361 PolarHBondContact OE2-NH2 2.98Å
358	K	67.4	Low	65.9	Low	98 Å²	98	67.9 Å²	67.9	43%	0.426	33%	0.334	S	S	.	.	H	α-helix	trans	-70	-36.4	167.3	-76.9	175	-178	-175.9	0	112.1	M354 V355 K356 G362 L821	M354-K358 WeakPolarHBondContact O-CB 3.44Å; M354-K358 WeakPolarHBondContact O-CG 3.17Å; M354-K358 PolarHBondContact O-N 2.93Å; V355-K358 CarbonylContact O-C 3.51Å; V355-K358 WeakPolarHBondContact O-CB 3.28Å; V355-K358 PolarHBondContact O-N 3.2Å; K356-K358 VanDerWaalsContact C-N 3.32Å; K358-G362 WeakPolarHBondContact O-CA 3.4Å; K358-G362 PolarHBondContact O-N 2.63Å; K358-L821 HydrophobicContact CB-CD2 4.14Å
359	E	62.8	Low	65.4	Low	23 Å²	23	68.2 Å²	68.2	11%	0.107	34%	0.335	C	S	.	.	H	α-helix	trans	-71.6	-33.8	171.5	-172.3	-166.2	-157.9	0	0	111.5	V355 K356 G362 I363 R825	V355-E359 WeakPolarHBondContact O-CB 3.26Å; V355-E359 PolarHBondContact O-N 3.19Å; K356-E359 CarbonylContact O-C 3.58Å; K356-E359 WeakPolarHBondContact O-CB 3.46Å; K356-E359 PolarHBondContact O-N 2.87Å; E359-G362 CarbonylContact O-C 3.58Å; E359-G362 WeakPolarHBondContact O-CA 3.27Å; E359-G362 PolarHBondContact O-N 3.35Å; E359-G362 VanDerWaalsContact O-N 3.14Å; E359-I363 PolarHBondContact O-N 3.24Å; E359-R825 VanDerWaalsContact CD-NH1 3.32Å; E359-R825 IonicContact OE1-CZ 3.75Å; E359-R825 IonicContact OE1-NH1 2.95Å; E359-R825 PolarHBondContact OE1-NH1 3.35Å; E359-R825 WeakPolarHBondContact OE2-CD 3.38Å; E359-R825 IonicContact OE2-CZ 2.85Å; E359-R825 IonicContact OE2-NE 2.74Å; E359-R825 IonicContact OE2-NH1 2.7Å; E359-R825 PolarHBondContact OE2-NH1 3.04Å
360	E	57.1	Low	64.9	Low	87 Å²	87	67.2 Å²	67.2	41%	0.407	34%	0.34	S	S	.	.	H	α-helix	trans	-76.5	-38.4	177.4	-77.6	174	179.4	0	0	110.9	K356 G362 I363	K356-E360 WeakPolarHBondContact CE-OE1 3.5Å; K356-E360 HydrophobicContact CG-CG 4.4Å; K356-E360 IonicContact NZ-OE1 2.85Å; K356-E360 PolarHBondContact NZ-OE1 3.31Å; K356-E360 VanDerWaalsContact O-CB 3.29Å; K356-E360 WeakPolarHBondContact O-CB 3.45Å; K356-E360 VanDerWaalsContact O-CG 3.28Å; K356-E360 WeakPolarHBondContact O-CG 3.47Å; K356-E360 PolarHBondContact O-N 3.43Å; E360-G362 PolarHBondContact O-N 3.15Å; E360-I363 VanDerWaalsContact C-N 3.34Å; E360-I363 HydrophobicContact CB-CD1 3.94Å; E360-I363 HydrophobicContact CG-CD1 3.68Å; E360-I363 WeakPolarHBondContact O-CA 3.27Å; E360-I363 WeakPolarHBondContact O-CB 3.46Å; E360-I363 PolarHBondContact O-N 2.7Å
361	R	56.2	Low	64.3	Low	152 Å²	152	66.3 Å²	66.3	57%	0.574	33%	0.329	S	S	*	.	H	α-helix	trans	-62.8	-35.5	161.9	-75.1	-178.6	-95.1	173.3	-13.7	110.6	E357 I363 S364	E357-R361 VanDerWaalsContact O-CB 3.24Å; E357-R361 WeakPolarHBondContact O-CB 3.37Å; E357-R361 VanDerWaalsContact O-CG 3.25Å; E357-R361 WeakPolarHBondContact O-CG 3.48Å; E357-R361 PolarHBondContact O-N 3.3Å; E357-R361 PolarHBondContact O-NE 3.25Å; E357-R361 IonicContact OE2-CZ 2.94Å; E357-R361 IonicContact OE2-NH2 3.6Å; E357-R361 PolarHBondContact OE2-NH2 2.98Å; R361-I363 PolarHBondContact O-N 2.96Å; R361-S364 VanDerWaalsContact O-CB 3.23Å; R361-S364 WeakPolarHBondContact O-CB 3.41Å; R361-S364 PolarHBondContact O-N 3.02Å; R361-S364 PolarHBondContact O-OG 3.26Å
362	G	53.9	Low	63.9	Low	6 Å²	6	60.9 Å²	60.9	6%	0.062	31%	0.305	C	S	.	.	H	α-helix	trans	-70.8	-2	164.8	0	0	0	0	0	114.6	K358 E359 E360 S364 S365 H366	K358-G362 WeakPolarHBondContact O-CA 3.4Å; K358-G362 PolarHBondContact O-N 2.63Å; E359-G362 CarbonylContact O-C 3.58Å; E359-G362 WeakPolarHBondContact O-CA 3.27Å; E359-G362 PolarHBondContact O-N 3.35Å; E359-G362 VanDerWaalsContact O-N 3.14Å; E360-G362 PolarHBondContact O-N 3.15Å; G362-S364 PolarHBondContact O-N 3.38Å; G362-S365 VanDerWaalsContact C-N 3.29Å; G362-S365 VanDerWaalsContact C-OG 3.3Å; G362-S365 WeakPolarHBondContact CA-OG 3.28Å; G362-S365 CarbonylContact O-C 3.57Å; G362-S365 VanDerWaalsContact O-C 3.31Å; G362-S365 VanDerWaalsContact O-CA 3.31Å; G362-S365 WeakPolarHBondContact O-CA 3.33Å; G362-S365 WeakPolarHBondContact O-CB 3.38Å; G362-S365 PolarHBondContact O-N 3.37Å; G362-S365 PolarHBondContact O-OG 2.99Å; G362-H366 WeakPolarHBondContact O-CB 3.44Å; G362-H366 PolarHBondContact O-N 3.1Å
363	I	51.5	Low	63.7	Low	96 Å²	96	61.5 Å²	61.5	49%	0.492	31%	0.311	S	S	.	.	H	α-helix	trans	-71.8	-28.4	167	-71.2	164.2	0	0	0	107.6	E359 E360 R361 S365 H366 S367	E359-I363 PolarHBondContact O-N 3.24Å; E360-I363 VanDerWaalsContact C-N 3.34Å; E360-I363 HydrophobicContact CB-CD1 3.94Å; E360-I363 HydrophobicContact CG-CD1 3.68Å; E360-I363 WeakPolarHBondContact O-CA 3.27Å; E360-I363 WeakPolarHBondContact O-CB 3.46Å; E360-I363 PolarHBondContact O-N 2.7Å; R361-I363 PolarHBondContact O-N 2.96Å; I363-S365 VanDerWaalsContact C-N 3.3Å; I363-H366 PolarHBondContact O-N 2.72Å; I363-S367 WeakPolarHBondContact O-CA 3.41Å; I363-S367 WeakPolarHBondContact O-CB 3.4Å; I363-S367 PolarHBondContact O-N 2.96Å
364	S	52.2	Low	63.4	Low	89 Å²	89	61.2 Å²	61.2	62%	0.622	31%	0.308	S	S	*	.	H	α-helix	trans	-61.4	-41.4	162.1	-53.5	0	0	0	0	110.3	R361 G362 R368	R361-S364 VanDerWaalsContact O-CB 3.23Å; R361-S364 WeakPolarHBondContact O-CB 3.41Å; R361-S364 PolarHBondContact O-N 3.02Å; R361-S364 PolarHBondContact O-OG 3.26Å; G362-S364 PolarHBondContact O-N 3.38Å; S364-R368 WeakPolarHBondContact O-CA 3.28Å; S364-R368 WeakPolarHBondContact O-CB 3.41Å; S364-R368 PolarHBondContact O-N 3.3Å
365	S	54.5	Low	63.1	Low	25 Å²	25	60 Å²	60	18%	0.175	30%	0.301	C	S	.	.	H	α-helix	trans	-74	-26.3	176.7	75.9	0	0	0	0	114.2	G362 I363 L369 N818	G362-S365 VanDerWaalsContact C-N 3.29Å; G362-S365 VanDerWaalsContact C-OG 3.3Å; G362-S365 WeakPolarHBondContact CA-OG 3.28Å; G362-S365 CarbonylContact O-C 3.57Å; G362-S365 VanDerWaalsContact O-C 3.31Å; G362-S365 VanDerWaalsContact O-CA 3.31Å; G362-S365 WeakPolarHBondContact O-CA 3.33Å; G362-S365 WeakPolarHBondContact O-CB 3.38Å; G362-S365 PolarHBondContact O-N 3.37Å; G362-S365 PolarHBondContact O-OG 2.99Å; I363-S365 VanDerWaalsContact C-N 3.3Å; S365-L369 WeakPolarHBondContact O-CA 3.49Å; S365-L369 WeakPolarHBondContact O-CB 3.2Å; S365-L369 PolarHBondContact O-N 2.7Å; S365-N818 PolarHBondContact OG-OD1 2.84Å
366	H	57.1	Low	63.1	Low	77 Å²	77	62.4 Å²	62.4	36%	0.356	31%	0.309	S	S	.	.	H	α-helix	trans	-83.3	-43.7	177	-109.5	86.3	0	0	0	111.1	G362 I363 R368 L369 A370 N818	G362-H366 WeakPolarHBondContact O-CB 3.44Å; G362-H366 PolarHBondContact O-N 3.1Å; I363-H366 PolarHBondContact O-N 2.72Å; H366-R368 VanDerWaalsContact C-N 3.29Å; H366-L369 PolarHBondContact O-N 2.75Å; H366-A370 WeakPolarHBondContact O-CB 3.26Å; H366-A370 PolarHBondContact O-N 2.9Å; H366-N818 VanDerWaalsContact CE1-CG 3.41Å; H366-N818 PolarHBondContact CE1-OD1 2.85Å; H366-N818 VanDerWaalsContact ND1-CG 3.28Å; H366-N818 PolarHBondContact ND1-ND2 3.45Å; H366-N818 PolarHBondContact ND1-OD1 3.4Å
367	S	59.5	Low	63.3	Low	33 Å²	33	61.6 Å²	61.6	23%	0.231	31%	0.311	C	S	.	.	H	α-helix	trans	-62	-42	167.6	-176.1	0	0	0	0	109.3	I363 A370 Q371	I363-S367 WeakPolarHBondContact O-CA 3.41Å; I363-S367 WeakPolarHBondContact O-CB 3.4Å; I363-S367 PolarHBondContact O-N 2.96Å; S367-A370 PolarHBondContact O-N 2.98Å; S367-Q371 WeakPolarHBondContact O-CB 3.44Å; S367-Q371 WeakPolarHBondContact O-CG 3.48Å; S367-Q371 PolarHBondContact O-N 2.99Å
368	R	65.3	Low	63.4	Low	84 Å²	84	58.1 Å²	58.1	32%	0.317	30%	0.295	S	S	.	.	H	α-helix	trans	-70	-36.8	175.1	-170.9	66.1	179.3	169.9	1.5	112.4	S364 H366 A372 E810 L814	S364-R368 WeakPolarHBondContact O-CA 3.28Å; S364-R368 WeakPolarHBondContact O-CB 3.41Å; S364-R368 PolarHBondContact O-N 3.3Å; H366-R368 VanDerWaalsContact C-N 3.29Å; R368-A372 WeakPolarHBondContact O-CA 3.38Å; R368-A372 WeakPolarHBondContact O-CB 3.19Å; R368-A372 PolarHBondContact O-N 2.89Å; R368-E810 WeakPolarHBondContact CG-OE1 3.46Å; R368-E810 IonicContact CZ-OE1 2.8Å; R368-E810 IonicContact NE-OE1 3.46Å; R368-E810 PolarHBondContact NE-OE1 2.98Å; R368-E810 IonicContact NH2-OE1 3.53Å; R368-L814 HydrophobicContact CB-CD1 4.48Å; R368-L814 HydrophobicContact CG-CD1 4.18Å
369	L	69.3	Low	63.6	Low	25 Å²	25	54.6 Å²	54.6	13%	0.131	28%	0.281	C	S	.	.	H	α-helix	trans	-63.5	-49.5	172.3	-179.5	83.3	0	0	0	109.6	S365 H366 A372 T373 I811 L814 Q815	S365-L369 WeakPolarHBondContact O-CA 3.49Å; S365-L369 WeakPolarHBondContact O-CB 3.2Å; S365-L369 PolarHBondContact O-N 2.7Å; H366-L369 PolarHBondContact O-N 2.75Å; L369-A372 PolarHBondContact O-N 3.42Å; L369-T373 VanDerWaalsContact O-CB 3.22Å; L369-T373 WeakPolarHBondContact O-CB 3.35Å; L369-T373 PolarHBondContact O-N 3.4Å; L369-T373 PolarHBondContact O-OG1 3.24Å; L369-I811 HydrophobicContact CD1-CG2 4.2Å; L369-L814 HydrophobicContact CB-CB 4.28Å; L369-L814 HydrophobicContact CB-CD1 4.35Å; L369-L814 HydrophobicContact CD1-CB 3.55Å; L369-L814 HydrophobicContact CD1-CD1 4.45Å; L369-Q815 HydrophobicContact CD1-CG 3.69Å; L369-Q815 HydrophobicContact CD2-CG 4.33Å
370	A	64	Low	63.9	Low	57 Å²	57	58.5 Å²	58.5	47%	0.471	30%	0.295	S	S	.	.	H	α-helix	trans	-61.7	-44.6	178.3	0	0	0	0	0	110.7	H366 S367 T373 Q374	H366-A370 WeakPolarHBondContact O-CB 3.26Å; H366-A370 PolarHBondContact O-N 2.9Å; S367-A370 PolarHBondContact O-N 2.98Å; A370-T373 PolarHBondContact O-N 3.14Å; A370-Q374 WeakPolarHBondContact O-CB 3.46Å; A370-Q374 PolarHBondContact O-N 3.36Å
371	Q	66.4	Low	64.5	Low	55 Å²	55	56.5 Å²	56.5	26%	0.257	29%	0.293	S	S	.	.	H	α-helix	trans	-61.9	-48.5	173.4	-77.5	170.4	-4.6	0	0	111.8	S367 T373 Q374 E375	S367-Q371 WeakPolarHBondContact O-CB 3.44Å; S367-Q371 WeakPolarHBondContact O-CG 3.48Å; S367-Q371 PolarHBondContact O-N 2.99Å; Q371-T373 VanDerWaalsContact C-N 3.34Å; Q371-T373 PolarHBondContact O-N 3.23Å; Q371-Q374 CarbonylContact O-C 3.59Å; Q371-Q374 PolarHBondContact O-N 3.4Å; Q371-E375 VanDerWaalsContact O-CB 3.23Å; Q371-E375 WeakPolarHBondContact O-CB 3.26Å; Q371-E375 VanDerWaalsContact O-CG 3.27Å; Q371-E375 WeakPolarHBondContact O-CG 3.23Å; Q371-E375 PolarHBondContact O-N 3.25Å
372	A	69	Low	65	Low	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-65.4	-38.9	179.7	0	0	0	0	0	111.7	R368 L369 R376 L807 I811	R368-A372 WeakPolarHBondContact O-CA 3.38Å; R368-A372 WeakPolarHBondContact O-CB 3.19Å; R368-A372 PolarHBondContact O-N 2.89Å; L369-A372 PolarHBondContact O-N 3.42Å; A372-R376 WeakPolarHBondContact O-CB 3.49Å; A372-R376 PolarHBondContact O-N 3.4Å; A372-L807 HydrophobicContact CB-CD2 3.64Å; A372-I811 HydrophobicContact CB-CD1 4.48Å; A372-I811 HydrophobicContact CB-CG1 3.94Å
373	T	72.5	Confident	65.6	Low	38 Å²	38	55.8 Å²	55.8	23%	0.233	29%	0.294	C	S	.	.	H	α-helix	trans	-68.2	-40.7	175.8	-46.1	0	0	0	0	110.6	L369 A370 Q371 R376 T377	L369-T373 VanDerWaalsContact O-CB 3.22Å; L369-T373 WeakPolarHBondContact O-CB 3.35Å; L369-T373 PolarHBondContact O-N 3.4Å; L369-T373 PolarHBondContact O-OG1 3.24Å; A370-T373 PolarHBondContact O-N 3.14Å; Q371-T373 VanDerWaalsContact C-N 3.34Å; Q371-T373 PolarHBondContact O-N 3.23Å; T373-R376 PolarHBondContact O-N 2.9Å; T373-T377 WeakPolarHBondContact O-CG2 3.48Å; T373-T377 PolarHBondContact O-N 2.98Å; T373-T377 PolarHBondContact O-OG1 2.99Å
374	Q	67.6	Low	66	Low	66 Å²	66	52.4 Å²	52.4	31%	0.308	28%	0.283	S	S	.	.	H	α-helix	trans	-70	-45.7	177.1	-169.5	64.9	39.1	0	0	111.5	A370 Q371 R376 T377 D378 T780	A370-Q374 WeakPolarHBondContact O-CB 3.46Å; A370-Q374 PolarHBondContact O-N 3.36Å; Q371-Q374 CarbonylContact O-C 3.59Å; Q371-Q374 PolarHBondContact O-N 3.4Å; Q374-R376 VanDerWaalsContact C-N 3.26Å; Q374-R376 PolarHBondContact O-N 2.86Å; Q374-T377 VanDerWaalsContact CA-OG1 3.26Å; Q374-T377 WeakPolarHBondContact CA-OG1 2.99Å; Q374-T377 CarbonylContact O-C 3.59Å; Q374-T377 PolarHBondContact O-N 2.91Å; Q374-T377 VanDerWaalsContact O-N 3.11Å; Q374-T377 PolarHBondContact O-OG1 3.34Å; Q374-D378 PolarHBondContact NE2-OD1 3.39Å; Q374-D378 VanDerWaalsContact O-CB 3.26Å; Q374-D378 WeakPolarHBondContact O-CB 3.41Å; Q374-D378 PolarHBondContact O-N 2.71Å; Q374-T780 HydrophobicContact CG-CG2 3.91Å
375	E	68.7	Low	66.8	Low	67 Å²	67	48.8 Å²	48.8	31%	0.313	26%	0.255	S	S	.	.	H	α-helix	trans	-54.8	-44.3	171.9	-80.8	178	-154.9	0	0	109.8	Q371 D378 L379 R803 L807	Q371-E375 VanDerWaalsContact O-CB 3.23Å; Q371-E375 WeakPolarHBondContact O-CB 3.26Å; Q371-E375 VanDerWaalsContact O-CG 3.27Å; Q371-E375 WeakPolarHBondContact O-CG 3.23Å; Q371-E375 PolarHBondContact O-N 3.25Å; E375-D378 PolarHBondContact O-N 3.46Å; E375-L379 WeakPolarHBondContact O-CB 3.2Å; E375-L379 WeakPolarHBondContact O-CG 3.5Å; E375-L379 PolarHBondContact O-N 3.06Å; E375-R803 IonicContact OE2-CZ 2.7Å; E375-R803 IonicContact OE2-NE 3.98Å; E375-R803 IonicContact OE2-NH2 3.71Å; E375-R803 PolarHBondContact OE2-NH2 3.3Å; E375-L807 HydrophobicContact CB-CD1 3.95Å; E375-L807 HydrophobicContact CB-CD2 4.48Å
376	R	74.4	Confident	67.1	Low	60 Å²	60	48.9 Å²	48.9	23%	0.226	26%	0.26	C	S	.	.	H	α-helix	trans	-64.7	-45.4	175	-173.3	-167	65.4	176.5	0.4	112.1	A372 T373 Q374 D378 L379 Y380 V804 L807 N808 I811	A372-R376 WeakPolarHBondContact O-CB 3.49Å; A372-R376 PolarHBondContact O-N 3.4Å; T373-R376 PolarHBondContact O-N 2.9Å; Q374-R376 VanDerWaalsContact C-N 3.26Å; Q374-R376 PolarHBondContact O-N 2.86Å; R376-D378 VanDerWaalsContact C-N 3.3Å; R376-D378 PolarHBondContact O-N 3.17Å; R376-L379 PolarHBondContact O-N 3.06Å; R376-Y380 HydrophobicContact CG-CD2 3.86Å; R376-Y380 HydrophobicContact CG-CE2 3.62Å; R376-Y380 WeakPolarHBondContact O-CD2 3.37Å; R376-Y380 PolarHBondContact O-N 2.95Å; R376-V804 HydrophobicContact CG-CG1 4.42Å; R376-L807 HydrophobicContact CB-CD1 4.36Å; R376-N808 WeakPolarHBondContact CD-OD1 3.43Å; R376-N808 PolarHBondContact NH1-OD1 3.44Å; R376-I811 HydrophobicContact CB-CD1 4.11Å
377	T	72.3	Confident	67.4	Low	57 Å²	57	50.1 Å²	50.1	35%	0.35	28%	0.278	S	S	.	.	H	α-helix	trans	-66.4	-34.5	177.3	50.6	0	0	0	0	112.1	T373 Q374 Y380 A381	T373-T377 WeakPolarHBondContact O-CG2 3.48Å; T373-T377 PolarHBondContact O-N 2.98Å; T373-T377 PolarHBondContact O-OG1 2.99Å; Q374-T377 VanDerWaalsContact CA-OG1 3.26Å; Q374-T377 WeakPolarHBondContact CA-OG1 2.99Å; Q374-T377 CarbonylContact O-C 3.59Å; Q374-T377 PolarHBondContact O-N 2.91Å; Q374-T377 VanDerWaalsContact O-N 3.11Å; Q374-T377 PolarHBondContact O-OG1 3.34Å; T377-Y380 PolarHBondContact O-N 3.3Å; T377-A381 VanDerWaalsContact O-CB 3.24Å; T377-A381 WeakPolarHBondContact O-CB 3.45Å; T377-A381 PolarHBondContact O-N 3.46Å
378	D	70.3	Confident	67.4	Low	26 Å²	26	55.2 Å²	55.2	14%	0.139	30%	0.298	C	S	.	.	H	α-helix	trans	-70.5	-40.2	178	-69	-4	0	0	0	109.8	Q374 E375 R376 A381 K382 S783	Q374-D378 PolarHBondContact NE2-OD1 3.39Å; Q374-D378 VanDerWaalsContact O-CB 3.26Å; Q374-D378 WeakPolarHBondContact O-CB 3.41Å; Q374-D378 PolarHBondContact O-N 2.71Å; E375-D378 PolarHBondContact O-N 3.46Å; R376-D378 VanDerWaalsContact C-N 3.3Å; R376-D378 PolarHBondContact O-N 3.17Å; D378-A381 CarbonylContact O-C 3.54Å; D378-A381 WeakPolarHBondContact O-CB 3.27Å; D378-A381 PolarHBondContact O-N 2.91Å; D378-K382 WeakPolarHBondContact O-CB 3.29Å; D378-K382 PolarHBondContact O-N 3.08Å; D378-S783 WeakPolarHBondContact OD2-CB 3.49Å; D378-S783 PolarHBondContact OD2-OG 3.27Å
379	L	70.9	Confident	67.6	Low	23 Å²	23	52.8 Å²	52.8	12%	0.12	29%	0.29	C	S	.	.	H	α-helix	trans	-64.6	-41.5	172.1	-72.6	169.8	0	0	0	112.2	E375 R376 K382 Q383 D800 R803 V804 L807	E375-L379 WeakPolarHBondContact O-CB 3.2Å; E375-L379 WeakPolarHBondContact O-CG 3.5Å; E375-L379 PolarHBondContact O-N 3.06Å; R376-L379 PolarHBondContact O-N 3.06Å; L379-K382 HydrophobicContact CD2-CD 4.45Å; L379-K382 WeakPolarHBondContact O-CB 3.42Å; L379-K382 PolarHBondContact O-N 3.29Å; L379-Q383 PolarHBondContact O-N 3.45Å; L379-D800 HydrophobicContact CD2-CB 4.28Å; L379-R803 HydrophobicContact CD1-CG 4.15Å; L379-V804 HydrophobicContact CB-CG2 3.85Å; L379-V804 HydrophobicContact CD1-CG2 3.78Å; L379-V804 HydrophobicContact CG-CG2 4.43Å; L379-L807 HydrophobicContact CD1-CD1 3.83Å
380	Y	69.7	Low	67.4	Low	106 Å²	106	57.7 Å²	57.7	42%	0.416	32%	0.321	S	S	.	.	H	α-helix	trans	-66.6	-37.6	171.3	-79.5	-55.1	0	0	0	112.5	R376 T377 K382 Q383 G384 V804	R376-Y380 HydrophobicContact CG-CD2 3.86Å; R376-Y380 HydrophobicContact CG-CE2 3.62Å; R376-Y380 WeakPolarHBondContact O-CD2 3.37Å; R376-Y380 PolarHBondContact O-N 2.95Å; T377-Y380 PolarHBondContact O-N 3.3Å; Y380-K382 VanDerWaalsContact C-N 3.32Å; Y380-Q383 VanDerWaalsContact O-CB 3.23Å; Y380-Q383 WeakPolarHBondContact O-CB 3.25Å; Y380-Q383 PolarHBondContact O-N 3.03Å; Y380-G384 PolarHBondContact O-N 3.48Å; Y380-V804 HydrophobicContact CE1-CG1 4.45Å; Y380-V804 HydrophobicContact CE2-CG1 4.28Å
381	A	68.3	Low	67.8	Low	44 Å²	44	57 Å²	57	36%	0.364	31%	0.312	S	S	.	.	H	α-helix	trans	-63.5	-41.2	174	0	0	0	0	0	110.3	T377 D378 Q383 G384 R385	T377-A381 VanDerWaalsContact O-CB 3.24Å; T377-A381 WeakPolarHBondContact O-CB 3.45Å; T377-A381 PolarHBondContact O-N 3.46Å; D378-A381 CarbonylContact O-C 3.54Å; D378-A381 WeakPolarHBondContact O-CB 3.27Å; D378-A381 PolarHBondContact O-N 2.91Å; A381-Q383 VanDerWaalsContact C-N 3.31Å; A381-Q383 PolarHBondContact O-N 3.18Å; A381-G384 CarbonylContact O-C 3.53Å; A381-G384 WeakPolarHBondContact O-CA 3.3Å; A381-G384 PolarHBondContact O-N 3.24Å; A381-R385 WeakPolarHBondContact O-CG 3.06Å; A381-R385 PolarHBondContact O-N 3.35Å
382	K	67.6	Low	68.1	Low	61 Å²	61	58 Å²	58	27%	0.265	32%	0.316	S	S	.	.	H	α-helix	trans	-57.9	-40.6	173.1	-169.9	-175.1	178.4	-164.6	0	111.7	D378 L379 Y380 R385 D800	D378-K382 WeakPolarHBondContact O-CB 3.29Å; D378-K382 PolarHBondContact O-N 3.08Å; L379-K382 HydrophobicContact CD2-CD 4.45Å; L379-K382 WeakPolarHBondContact O-CB 3.42Å; L379-K382 PolarHBondContact O-N 3.29Å; Y380-K382 VanDerWaalsContact C-N 3.32Å; K382-R385 PolarHBondContact O-N 2.96Å; K382-D800 IonicContact NZ-OD1 3.83Å; K382-D800 IonicContact NZ-OD2 3.73Å; K382-D800 PolarHBondContact NZ-OD2 3.02Å
383	Q	65.7	Low	68.3	Low	82 Å²	82	65.7 Å²	65.7	38%	0.383	35%	0.352	S	S	.	.	H	α-helix	trans	-58.7	-45.1	170.4	-159.8	-178.8	-3.1	0	0	112.3	L379 Y380 A381 R385 L796	L379-Q383 PolarHBondContact O-N 3.45Å; Y380-Q383 VanDerWaalsContact O-CB 3.23Å; Y380-Q383 WeakPolarHBondContact O-CB 3.25Å; Y380-Q383 PolarHBondContact O-N 3.03Å; A381-Q383 VanDerWaalsContact C-N 3.31Å; A381-Q383 PolarHBondContact O-N 3.18Å; Q383-R385 VanDerWaalsContact C-N 3.32Å; Q383-R385 PolarHBondContact O-N 3.24Å; Q383-L796 HydrophobicContact CB-CD1 3.39Å; Q383-L796 HydrophobicContact CG-CD1 3.66Å
384	G	60.1	Low	68.5	Low	25 Å²	25	68.5 Å²	68.5	26%	0.258	36%	0.362	S	S	.	.	H	α-helix	trans	-72	-18.6	-179.4	0	0	0	0	0	114.7	Y380 A381 G386 S387 Q388	Y380-G384 PolarHBondContact O-N 3.48Å; A381-G384 CarbonylContact O-C 3.53Å; A381-G384 WeakPolarHBondContact O-CA 3.3Å; A381-G384 PolarHBondContact O-N 3.24Å; G384-G386 VanDerWaalsContact C-N 3.32Å; G384-G386 PolarHBondContact O-N 2.73Å; G384-S387 PolarHBondContact O-N 3.32Å; G384-S387 PolarHBondContact O-OG 2.92Å; G384-Q388 PolarHBondContact O-N 3.39Å
385	R	70.1	Confident	68.9	Low	13 Å²	13	65.7 Å²	65.7	5%	0.049	35%	0.349	C	S	.	.	H	α-helix	trans	-70.3	-27.6	179.8	-73.1	-175.6	-157.5	124.7	-6.8	113.4	A381 K382 Q383 S387 Q388 F389 E787	A381-R385 WeakPolarHBondContact O-CG 3.06Å; A381-R385 PolarHBondContact O-N 3.35Å; K382-R385 PolarHBondContact O-N 2.96Å; Q383-R385 VanDerWaalsContact C-N 3.32Å; Q383-R385 PolarHBondContact O-N 3.24Å; R385-S387 PolarHBondContact O-N 3.12Å; R385-Q388 PolarHBondContact O-N 3.43Å; R385-F389 HydrophobicContact CB-CD2 4.19Å; R385-F389 HydrophobicContact CG-CD2 4.29Å; R385-F389 HydrophobicContact CG-CE2 4.19Å; R385-F389 PolarHBondContact O-N 3.21Å; R385-F389 VanDerWaalsContact O-N 3.09Å; R385-E787 IonicContact CZ-OE1 3.46Å; R385-E787 IonicContact CZ-OE2 2.64Å; R385-E787 IonicContact NH1-OE1 2.69Å; R385-E787 PolarHBondContact NH1-OE1 3.07Å; R385-E787 IonicContact NH1-OE2 3.93Å; R385-E787 PolarHBondContact NH1-OE2 3.01Å; R385-E787 IonicContact NH2-OE1 3.64Å; R385-E787 PolarHBondContact NH2-OE1 3.18Å; R385-E787 IonicContact NH2-OE2 2.74Å; R385-E787 PolarHBondContact NH2-OE2 2.97Å
386	G	61.3	Low	69.3	Low	27 Å²	27	63.8 Å²	63.8	28%	0.278	34%	0.341	S	S	.	.	H	α-helix	trans	-67.3	-19.4	173.4	0	0	0	0	0	113.8	G384	G384-G386 VanDerWaalsContact C-N 3.32Å; G384-G386 PolarHBondContact O-N 2.73Å
387	S	62	Low	69.7	Low	104 Å²	104	68.9 Å²	68.9	73%	0.727	37%	0.365	S	S	*	.	H	α-helix	trans	-97.4	-23	172.5	66.1	0	0	0	0	113.6	G384 R385	G384-S387 PolarHBondContact O-N 3.32Å; G384-S387 PolarHBondContact O-OG 2.92Å; R385-S387 PolarHBondContact O-N 3.12Å
388	Q	60	Low	70.1	Confident	140 Å²	140	70.8 Å²	70.8	65%	0.654	37%	0.366	S	S	*	.	H	α-helix	trans	-88.8	-29.1	-178	-78.5	-178.3	-16.6	0	0	115.1	G384 R385	G384-Q388 PolarHBondContact O-N 3.39Å; R385-Q388 PolarHBondContact O-N 3.43Å
389	F	70.3	Confident	70.6	Confident	33 Å²	33	69.6 Å²	69.6	15%	0.145	36%	0.359	C	S	.	.			trans	-121.4	137.3	-176.2	-60.5	-76.9	0	0	0	110.6	R385 E394 R395 W398 L792	R385-F389 HydrophobicContact CB-CD2 4.19Å; R385-F389 HydrophobicContact CG-CD2 4.29Å; R385-F389 HydrophobicContact CG-CE2 4.19Å; R385-F389 PolarHBondContact O-N 3.21Å; R385-F389 VanDerWaalsContact O-N 3.09Å; F389-E394 HydrophobicContact CD1-CB 4.15Å; F389-R395 HydrophobicContact CB-CB 4.13Å; F389-R395 HydrophobicContact CD1-CB 4.47Å; F389-R395 HydrophobicContact CD2-CB 4Å; F389-R395 HydrophobicContact CD2-CG 3.98Å; F389-R395 HydrophobicContact CE2-CG 4.29Å; F389-R395 HydrophobicContact CG-CB 3.93Å; F389-R395 HydrophobicContact CG-CG 4.43Å; F389-W398 HydrophobicContact CE1-CB 3.94Å; F389-W398 HydrophobicContact CE1-CG 4.18Å; F389-W398 HydrophobicContact CE2-CE3 4.43Å; F389-W398 HydrophobicContact CZ-CB 3.9Å; F389-W398 AromaticContact CZ-CD2 3.87Å; F389-W398 HydrophobicContact CZ-CD2 3.87Å; F389-W398 HydrophobicContact CZ-CE3 4.13Å; F389-W398 AromaticContact CZ-CG 3.76Å; F389-W398 HydrophobicContact CZ-CG 3.76Å; F389-L792 WeakPolarHBondContact O-CD2 3.44Å
390	T	64.8	Low	71.2	Confident	127 Å²	127	74.9 Å²	74.9	78%	0.779	38%	0.381	S	S	*	.	S	Bend	trans	-85.3	-19.1	-178.5	63.3	0	0	0	0	112.7	E394	T390-E394 PolarHBondContact N-OE2 3.2Å; T390-E394 PolarHBondContact OG1-OE2 3.49Å
391	S	72.1	Confident	71.8	Confident	42 Å²	42	77.3 Å²	77.3	29%	0.294	39%	0.394	S	S	.	.	S	Bend	trans	-144.5	159.3	179.1	72.9	0	0	0	0	113.2	E393 E394 R395	S391-E393 VanDerWaalsContact C-N 3.27Å; S391-E393 PolarHBondContact O-N 3.46Å; S391-E394 PolarHBondContact O-N 3.48Å; S391-E394 WeakPolarHBondContact OG-CG 3.41Å; S391-E394 PolarHBondContact OG-N 3.44Å; S391-R395 PolarHBondContact O-N 3.04Å
392	K	73.3	Confident	72.5	Confident	76 Å²	76	78.7 Å²	78.7	33%	0.33	39%	0.393	S	S	.	.	H	α-helix	trans	-58.9	-37.2	174.7	-176.2	174.9	-178.6	165.8	0	112.4	R395 D396 G789 T790 D791	K392-R395 PolarHBondContact O-N 3.29Å; K392-D396 WeakPolarHBondContact O-CB 3.29Å; K392-D396 PolarHBondContact O-N 3.42Å; K392-G789 VanDerWaalsContact CE-C 3.43Å; K392-G789 WeakPolarHBondContact CE-O 2.86Å; K392-G789 PolarHBondContact NZ-O 3.05Å; K392-T790 WeakPolarHBondContact CE-O 3.48Å; K392-D791 IonicContact NZ-OD1 2.84Å; K392-D791 PolarHBondContact NZ-OD1 3.27Å
393	E	72.7	Confident	73.2	Confident	163 Å²	163	77 Å²	77	76%	0.762	39%	0.387	S	S	*	.	H	α-helix	trans	-68.6	-39.1	-177.7	-65.4	-177.6	172.2	0	0	112.6	S391 K397	S391-E393 VanDerWaalsContact C-N 3.27Å; S391-E393 PolarHBondContact O-N 3.46Å; E393-K397 WeakPolarHBondContact O-CB 3.16Å; E393-K397 PolarHBondContact O-N 2.92Å
394	E	76.2	Confident	74.1	Confident	96 Å²	96	80.9 Å²	80.9	45%	0.449	40%	0.402	S	S	.	.	H	α-helix	trans	-65.2	-43.1	176.4	-74.3	-177.9	154	0	0	111.9	F389 T390 S391 K397 W398	F389-E394 HydrophobicContact CD1-CB 4.15Å; T390-E394 PolarHBondContact N-OE2 3.2Å; T390-E394 PolarHBondContact OG1-OE2 3.49Å; S391-E394 PolarHBondContact O-N 3.48Å; S391-E394 WeakPolarHBondContact OG-CG 3.41Å; S391-E394 PolarHBondContact OG-N 3.44Å; E394-K397 PolarHBondContact O-N 3.45Å; E394-W398 PolarHBondContact O-N 3.26Å; E394-W398 VanDerWaalsContact O-N 3.15Å
395	R	75.4	Confident	75.3	Confident	7 Å²	7	82.2 Å²	82.2	3%	0.026	41%	0.408	C	S	.	.	H	α-helix	trans	-61.2	-49.9	175.8	-174.5	-160.1	68.3	-177.5	-2.6	111.3	F389 S391 K392 K397 W398 I399 E787 T790	F389-R395 HydrophobicContact CB-CB 4.13Å; F389-R395 HydrophobicContact CD1-CB 4.47Å; F389-R395 HydrophobicContact CD2-CB 4Å; F389-R395 HydrophobicContact CD2-CG 3.98Å; F389-R395 HydrophobicContact CE2-CG 4.29Å; F389-R395 HydrophobicContact CG-CB 3.93Å; F389-R395 HydrophobicContact CG-CG 4.43Å; S391-R395 PolarHBondContact O-N 3.04Å; K392-R395 PolarHBondContact O-N 3.29Å; R395-K397 VanDerWaalsContact C-N 3.26Å; R395-K397 PolarHBondContact O-N 3.36Å; R395-W398 WeakPolarHBondContact O-CB 3.3Å; R395-W398 PolarHBondContact O-N 3.08Å; R395-W398 VanDerWaalsContact O-N 3.11Å; R395-I399 HydrophobicContact CG-CD1 4.03Å; R395-I399 HydrophobicContact CG-CG1 4.5Å; R395-I399 WeakPolarHBondContact O-CG1 3.39Å; R395-I399 PolarHBondContact O-N 3.05Å; R395-E787 PolarHBondContact NH2-O 2.89Å; R395-T790 PolarHBondContact NH1-O 3.23Å; R395-T790 PolarHBondContact NH1-OG1 3.28Å; R395-T790 PolarHBondContact NH2-O 2.92Å; R395-T790 PolarHBondContact NH2-OG1 3.47Å
396	D	78.9	Confident	76	Confident	27 Å²	27	82.9 Å²	82.9	14%	0.144	41%	0.412	C	S	.	.	H	α-helix	trans	-66.3	-29.7	-176.8	-73.9	4.1	0	0	0	112	K392 K400 G789	K392-D396 WeakPolarHBondContact O-CB 3.29Å; K392-D396 PolarHBondContact O-N 3.42Å; D396-K400 WeakPolarHBondContact O-CG 3.13Å; D396-K400 PolarHBondContact O-N 3.32Å; D396-K400 VanDerWaalsContact O-N 3.12Å; D396-G789 PolarHBondContact OD2-N 3.07Å
397	K	80.9	Confident	77.2	Confident	167 Å²	167	84.5 Å²	84.5	73%	0.726	41%	0.414	S	S	*	.	H	α-helix	trans	-69.5	-37.6	172.8	-167.4	175.9	-177.2	178.4	0	112.4	E393 E394 R395 K401	E393-K397 WeakPolarHBondContact O-CB 3.16Å; E393-K397 PolarHBondContact O-N 2.92Å; E394-K397 PolarHBondContact O-N 3.45Å; R395-K397 VanDerWaalsContact C-N 3.26Å; R395-K397 PolarHBondContact O-N 3.36Å; K397-K401 PolarHBondContact O-N 2.95Å
398	W	82	Confident	78.3	Confident	98 Å²	98	85.8 Å²	85.8	37%	0.371	41%	0.409	S	S	.	.	H	α-helix	trans	-67.7	-47.4	174	175.9	85.1	0	0	0	111.7	F389 E394 R395 K400 K401 E402 L784	F389-W398 HydrophobicContact CE1-CB 3.94Å; F389-W398 HydrophobicContact CE1-CG 4.18Å; F389-W398 HydrophobicContact CE2-CE3 4.43Å; F389-W398 HydrophobicContact CZ-CB 3.9Å; F389-W398 AromaticContact CZ-CD2 3.87Å; F389-W398 HydrophobicContact CZ-CD2 3.87Å; F389-W398 HydrophobicContact CZ-CE3 4.13Å; F389-W398 AromaticContact CZ-CG 3.76Å; F389-W398 HydrophobicContact CZ-CG 3.76Å; E394-W398 PolarHBondContact O-N 3.26Å; E394-W398 VanDerWaalsContact O-N 3.15Å; R395-W398 WeakPolarHBondContact O-CB 3.3Å; R395-W398 PolarHBondContact O-N 3.08Å; R395-W398 VanDerWaalsContact O-N 3.11Å; W398-K400 VanDerWaalsContact C-N 3.3Å; W398-K400 PolarHBondContact O-N 2.92Å; W398-K401 WeakPolarHBondContact O-CA 3.38Å; W398-K401 WeakPolarHBondContact O-CB 3.36Å; W398-K401 PolarHBondContact O-N 3.33Å; W398-E402 HydrophobicContact CZ2-CG 4.39Å; W398-E402 PolarHBondContact O-N 3.16Å; W398-L784 HydrophobicContact CZ3-CD2 4.35Å
399	I	80.4	Confident	79.6	Confident	0 Å²	0	80.8 Å²	80.8	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-56.1	-43.7	176.9	-67.1	174.9	0	0	0	111	R395 K401 E402 L403 L784 E787 L788	R395-I399 HydrophobicContact CG-CD1 4.03Å; R395-I399 HydrophobicContact CG-CG1 4.5Å; R395-I399 WeakPolarHBondContact O-CG1 3.39Å; R395-I399 PolarHBondContact O-N 3.05Å; I399-K401 VanDerWaalsContact C-N 3.29Å; I399-K401 PolarHBondContact O-N 3.22Å; I399-E402 PolarHBondContact O-N 3.5Å; I399-L403 HydrophobicContact CG2-CD1 3.93Å; I399-L403 HydrophobicContact CG2-CG 4.35Å; I399-L403 WeakPolarHBondContact O-CB 3.17Å; I399-L403 WeakPolarHBondContact O-CG 3.28Å; I399-L403 PolarHBondContact O-N 3.2Å; I399-L784 HydrophobicContact CG2-CB 4.25Å; I399-L784 VanDerWaalsContact CG2-O 3.22Å; I399-L784 WeakPolarHBondContact CG2-O 3.49Å; I399-E787 HydrophobicContact CD1-CB 4.35Å; I399-L788 HydrophobicContact CB-CD1 4.12Å; I399-L788 HydrophobicContact CG2-CD1 3.66Å
400	K	82.5	Confident	80.4	Confident	134 Å²	134	79.3 Å²	79.3	58%	0.583	39%	0.385	S	S	*	.	H	α-helix	trans	-61.7	-34.1	176	-77.8	176.8	-177.1	174.9	0	113.5	D396 W398 K404 L788	D396-K400 WeakPolarHBondContact O-CG 3.13Å; D396-K400 PolarHBondContact O-N 3.32Å; D396-K400 VanDerWaalsContact O-N 3.12Å; W398-K400 VanDerWaalsContact C-N 3.3Å; W398-K400 PolarHBondContact O-N 2.92Å; K400-K404 PolarHBondContact O-N 3.39Å; K400-L788 HydrophobicContact CG-CD1 4.08Å
401	K	83.6	Confident	81.5	Confident	158 Å²	158	77.5 Å²	77.5	69%	0.687	37%	0.371	S	S	*	.	H	α-helix	trans	-71.7	-40.9	177.2	-171	-178.7	176.6	-173.7	0	111	K397 W398 I399 K404 S405	K397-K401 PolarHBondContact O-N 2.95Å; W398-K401 WeakPolarHBondContact O-CA 3.38Å; W398-K401 WeakPolarHBondContact O-CB 3.36Å; W398-K401 PolarHBondContact O-N 3.33Å; I399-K401 VanDerWaalsContact C-N 3.29Å; I399-K401 PolarHBondContact O-N 3.22Å; K401-K404 WeakPolarHBondContact O-CB 3.4Å; K401-K404 PolarHBondContact O-N 3.25Å; K401-S405 PolarHBondContact O-N 2.78Å
402	E	82	Confident	82.2	Confident	73 Å²	73	79.2 Å²	79.2	34%	0.341	38%	0.377	S	S	.	.	H	α-helix	trans	-72.3	-37.3	-179.2	-154.3	61	-157.5	0	0	112.7	W398 I399 K404 S405 L406 L784	W398-E402 HydrophobicContact CZ2-CG 4.39Å; W398-E402 PolarHBondContact O-N 3.16Å; I399-E402 PolarHBondContact O-N 3.5Å; E402-K404 PolarHBondContact O-N 3.23Å; E402-S405 PolarHBondContact O-N 2.91Å; E402-S405 PolarHBondContact O-OG 3.32Å; E402-L406 HydrophobicContact CG-CD1 4.42Å; E402-L406 WeakPolarHBondContact O-CB 3.39Å; E402-L406 PolarHBondContact O-N 3.05Å; E402-L784 HydrophobicContact CG-CD1 4.32Å
403	L	82.9	Confident	82.7	Confident	25 Å²	25	78 Å²	78	13%	0.131	37%	0.371	C	S	.	.	H	α-helix	trans	-58.4	-38	171	-78.3	169.1	0	0	0	111.8	I399 L406 D407 R781 L784 K785	I399-L403 HydrophobicContact CG2-CD1 3.93Å; I399-L403 HydrophobicContact CG2-CG 4.35Å; I399-L403 WeakPolarHBondContact O-CB 3.17Å; I399-L403 WeakPolarHBondContact O-CG 3.28Å; I399-L403 PolarHBondContact O-N 3.2Å; L403-L406 PolarHBondContact O-N 3.33Å; L403-D407 PolarHBondContact O-N 3.11Å; L403-R781 HydrophobicContact CD2-CB 4.4Å; L403-R781 HydrophobicContact CD2-CG 3.53Å; L403-R781 VanDerWaalsContact CD2-O 3.32Å; L403-R781 WeakPolarHBondContact CD2-O 3.4Å; L403-L784 HydrophobicContact CD2-CB 3.94Å; L403-L784 HydrophobicContact CG-CB 4.26Å; L403-K785 HydrophobicContact CD2-CB 4.43Å
404	K	85.1	Confident	83.4	Confident	163 Å²	163	74.6 Å²	74.6	71%	0.709	35%	0.354	S	S	*	.	H	α-helix	trans	-68.9	-38.8	-180	-167	179.1	-179.1	-178.8	0	112.6	K400 K401 E402 Q408	K400-K404 PolarHBondContact O-N 3.39Å; K401-K404 WeakPolarHBondContact O-CB 3.4Å; K401-K404 PolarHBondContact O-N 3.25Å; E402-K404 PolarHBondContact O-N 3.23Å; K404-Q408 PolarHBondContact O-N 3.39Å
405	S	85.3	Confident	83.9	Confident	54 Å²	54	79 Å²	79	38%	0.378	37%	0.367	S	S	.	.	H	α-helix	trans	-69.2	-40.5	175	50.6	0	0	0	0	111.6	K401 E402 Q408 A409	K401-S405 PolarHBondContact O-N 2.78Å; E402-S405 PolarHBondContact O-N 2.91Å; E402-S405 PolarHBondContact O-OG 3.32Å; S405-Q408 PolarHBondContact O-N 2.95Å; S405-A409 PolarHBondContact O-N 3.14Å; S405-A409 VanDerWaalsContact O-N 3.14Å
406	L	84.9	Confident	84.4	Confident	27 Å²	27	83.2 Å²	83.2	14%	0.141	39%	0.387	C	S	.	.	H	α-helix	trans	-62	-46.7	175.7	-94	149.3	0	0	0	112.8	E402 L403 Q408 A409 I410 M777 L784	E402-L406 HydrophobicContact CG-CD1 4.42Å; E402-L406 WeakPolarHBondContact O-CB 3.39Å; E402-L406 PolarHBondContact O-N 3.05Å; L403-L406 PolarHBondContact O-N 3.33Å; L406-Q408 PolarHBondContact O-N 3.08Å; L406-A409 PolarHBondContact O-N 3.34Å; L406-I410 VanDerWaalsContact O-CG1 3.28Å; L406-I410 WeakPolarHBondContact O-CG1 3.36Å; L406-I410 PolarHBondContact O-N 2.96Å; L406-M777 HydrophobicContact CD2-CB 4.31Å; L406-L784 HydrophobicContact CD1-CD1 3.69Å
407	D	85.2	Confident	84.8	Confident	60 Å²	60	83 Å²	83	32%	0.321	39%	0.385	S	S	.	.	H	α-helix	trans	-61.5	-33.3	178.1	-85	-39.8	0	0	0	112.5	L403 N411 R781	L403-D407 PolarHBondContact O-N 3.11Å; D407-N411 PolarHBondContact O-N 3.42Å; D407-N411 PolarHBondContact O-ND2 3.26Å; D407-R781 WeakPolarHBondContact OD1-CD 3.48Å; D407-R781 IonicContact OD1-CZ 3.03Å; D407-R781 IonicContact OD1-NE 3.32Å; D407-R781 IonicContact OD1-NH1 2.65Å; D407-R781 PolarHBondContact OD1-NH1 3.22Å
408	Q	86.6	Confident	85.1	Confident	131 Å²	131	78 Å²	78	61%	0.612	38%	0.375	S	S	*	.	H	α-helix	trans	-68.2	-45.3	174.9	-170	168.6	-4.2	0	0	111.4	K404 S405 L406 I410 N411 D412	K404-Q408 PolarHBondContact O-N 3.39Å; S405-Q408 PolarHBondContact O-N 2.95Å; L406-Q408 PolarHBondContact O-N 3.08Å; Q408-I410 PolarHBondContact O-N 3.3Å; Q408-N411 PolarHBondContact O-N 2.88Å; Q408-D412 PolarHBondContact O-N 3.33Å; Q408-D412 VanDerWaalsContact O-N 3.13Å
409	A	86	Confident	85.4	Confident	36 Å²	36	76 Å²	76	30%	0.298	38%	0.38	S	S	.	.	H	α-helix	trans	-63.6	-39	177.8	0	0	0	0	0	113.1	S405 L406 D412 K413 M777	S405-A409 PolarHBondContact O-N 3.14Å; S405-A409 VanDerWaalsContact O-N 3.14Å; L406-A409 PolarHBondContact O-N 3.34Å; A409-D412 PolarHBondContact O-N 3.23Å; A409-K413 WeakPolarHBondContact O-CG 3.19Å; A409-K413 PolarHBondContact O-N 3.21Å; A409-K413 VanDerWaalsContact O-N 3.09Å; A409-M777 HydrophobicContact CB-SD 4.3Å
410	I	87.6	Confident	85.6	Confident	2 Å²	2	77.7 Å²	77.7	1%	0.01	39%	0.388	C	S	.	.	H	α-helix	trans	-61.3	-44.2	175.9	-70.8	168.2	0	0	0	110.7	L406 Q408 K413 K414 L774 M777 E778 R781	L406-I410 VanDerWaalsContact O-CG1 3.28Å; L406-I410 WeakPolarHBondContact O-CG1 3.36Å; L406-I410 PolarHBondContact O-N 2.96Å; Q408-I410 PolarHBondContact O-N 3.3Å; I410-K413 PolarHBondContact O-N 2.84Å; I410-K414 HydrophobicContact CG2-CD 4.4Å; I410-K414 WeakPolarHBondContact O-CG 3.21Å; I410-K414 PolarHBondContact O-N 3.07Å; I410-L774 HydrophobicContact CB-CD1 4.28Å; I410-L774 HydrophobicContact CG2-CD1 3.71Å; I410-L774 WeakPolarHBondContact O-CD1 3.4Å; I410-M777 HydrophobicContact CD1-CB 4.17Å; I410-M777 HydrophobicContact CG1-CB 3.68Å; I410-E778 HydrophobicContact CD1-CG 4Å; I410-E778 HydrophobicContact CG1-CG 4.42Å; I410-E778 HydrophobicContact CG2-CG 4.09Å; I410-R781 HydrophobicContact CD1-CB 4.31Å
411	N	87.6	Confident	85.8	Confident	89 Å²	89	76 Å²	76	48%	0.476	38%	0.382	S	S	.	.	H	α-helix	trans	-66.3	-39.7	179.3	-78.1	-39.2	0	0	0	112.9	D407 Q408 K413 K414 R415	D407-N411 PolarHBondContact O-N 3.42Å; D407-N411 PolarHBondContact O-ND2 3.26Å; Q408-N411 PolarHBondContact O-N 2.88Å; N411-K413 VanDerWaalsContact C-N 3.34Å; N411-K414 PolarHBondContact O-N 2.9Å; N411-R415 PolarHBondContact O-N 2.88Å; N411-R415 VanDerWaalsContact O-N 3.11Å
412	D	86.1	Confident	85.9	Confident	77 Å²	77	74.6 Å²	74.6	41%	0.412	38%	0.376	S	S	.	.	H	α-helix	trans	-64.6	-39.1	176.1	-71.8	-23.4	0	0	0	111.6	Q408 A409 R415 Q416	Q408-D412 PolarHBondContact O-N 3.33Å; Q408-D412 VanDerWaalsContact O-N 3.13Å; A409-D412 PolarHBondContact O-N 3.23Å; D412-R415 PolarHBondContact O-N 3.39Å; D412-Q416 WeakPolarHBondContact O-CG 3.35Å; D412-Q416 PolarHBondContact O-N 2.9Å; D412-Q416 VanDerWaalsContact O-N 3.12Å
413	K	84.1	Confident	86	Confident	51 Å²	51	74.6 Å²	74.6	22%	0.222	38%	0.378	C	S	.	.	H	α-helix	trans	-65.6	-41.9	174.1	-75.5	-69.1	-178.1	-172.4	0	113	A409 I410 N411 R415 Q416 I417 L770 L774 M777	A409-K413 WeakPolarHBondContact O-CG 3.19Å; A409-K413 PolarHBondContact O-N 3.21Å; A409-K413 VanDerWaalsContact O-N 3.09Å; I410-K413 PolarHBondContact O-N 2.84Å; N411-K413 VanDerWaalsContact C-N 3.34Å; K413-R415 VanDerWaalsContact C-N 3.3Å; K413-R415 PolarHBondContact O-N 3.31Å; K413-Q416 PolarHBondContact O-N 3.05Å; K413-I417 WeakPolarHBondContact O-CG1 3.37Å; K413-I417 PolarHBondContact O-N 2.95Å; K413-L770 HydrophobicContact CD-CD2 3.9Å; K413-L774 HydrophobicContact CB-CD1 3.93Å; K413-M777 HydrophobicContact CG-SD 4.39Å
414	K	87.6	Confident	86.1	Confident	92 Å²	92	74 Å²	74	40%	0.4	38%	0.375	S	S	.	.	H	α-helix	trans	-58.7	-39.9	173.8	-76.6	179.1	178.9	176.1	0	112.4	I410 N411 I417 A418 L774 E778	I410-K414 HydrophobicContact CG2-CD 4.4Å; I410-K414 WeakPolarHBondContact O-CG 3.21Å; I410-K414 PolarHBondContact O-N 3.07Å; N411-K414 PolarHBondContact O-N 2.9Å; K414-I417 PolarHBondContact O-N 3.33Å; K414-A418 PolarHBondContact O-N 3.43Å; K414-A418 VanDerWaalsContact O-N 3.12Å; K414-L774 HydrophobicContact CD-CD2 4.42Å; K414-L774 HydrophobicContact CG-CD1 3.87Å; K414-L774 HydrophobicContact CG-CD2 3.61Å; K414-L774 HydrophobicContact CG-CG 4.4Å; K414-E778 WeakPolarHBondContact CE-OE1 3.3Å; K414-E778 IonicContact NZ-OE1 3.75Å; K414-E778 PolarHBondContact NZ-OE1 3.37Å
415	R	87.4	Confident	86.2	Confident	189 Å²	189	71.7 Å²	71.7	71%	0.713	37%	0.367	S	S	*	.	H	α-helix	trans	-65.6	-41.4	175.8	-72.3	178.2	-179.1	-178.5	0.7	112.7	N411 D412 K413 A418 A419	N411-R415 PolarHBondContact O-N 2.88Å; N411-R415 VanDerWaalsContact O-N 3.11Å; D412-R415 PolarHBondContact O-N 3.39Å; K413-R415 VanDerWaalsContact C-N 3.3Å; K413-R415 PolarHBondContact O-N 3.31Å; R415-A418 PolarHBondContact O-N 3.17Å; R415-A419 PolarHBondContact O-N 2.86Å; R415-A419 VanDerWaalsContact O-N 3.08Å
416	Q	85.6	Confident	86.2	Confident	95 Å²	95	72.3 Å²	72.3	44%	0.444	37%	0.366	S	S	.	.	H	α-helix	trans	-62.8	-42	177.2	-72.8	177.1	-2.7	0	0	112.1	D412 K413 A419 I420 L770	D412-Q416 WeakPolarHBondContact O-CG 3.35Å; D412-Q416 PolarHBondContact O-N 2.9Å; D412-Q416 VanDerWaalsContact O-N 3.12Å; K413-Q416 PolarHBondContact O-N 3.05Å; Q416-A419 PolarHBondContact O-N 3.13Å; Q416-I420 WeakPolarHBondContact O-CG1 3.48Å; Q416-I420 PolarHBondContact O-N 2.89Å; Q416-I420 VanDerWaalsContact O-N 3.15Å; Q416-L770 HydrophobicContact CB-CD1 4.4Å
417	I	86.8	Confident	86.2	Confident	22 Å²	22	72 Å²	72	11%	0.113	37%	0.366	C	S	.	.	H	α-helix	trans	-61.6	-48.8	176.6	-69.6	164.5	0	0	0	110.5	K413 K414 A419 I420 H421 L767 L770 E771 L774	K413-I417 WeakPolarHBondContact O-CG1 3.37Å; K413-I417 PolarHBondContact O-N 2.95Å; K414-I417 PolarHBondContact O-N 3.33Å; I417-A419 VanDerWaalsContact C-N 3.31Å; I417-A419 PolarHBondContact O-N 3.48Å; I417-I420 PolarHBondContact O-N 3.14Å; I417-H421 WeakPolarHBondContact O-CB 3.36Å; I417-H421 PolarHBondContact O-N 2.82Å; I417-L767 HydrophobicContact CB-CD1 4.26Å; I417-L767 HydrophobicContact CG2-CD1 3.69Å; I417-L767 WeakPolarHBondContact O-CD1 3.32Å; I417-L770 HydrophobicContact CD1-CB 4.19Å; I417-L770 HydrophobicContact CG1-CB 3.71Å; I417-E771 HydrophobicContact CD1-CG 3.88Å; I417-E771 HydrophobicContact CG1-CG 4.29Å; I417-E771 HydrophobicContact CG2-CG 4.14Å; I417-L774 HydrophobicContact CD1-CB 4.23Å; I417-L774 HydrophobicContact CD1-CD2 3.82Å
418	A	87.4	Confident	86	Confident	63 Å²	63	74.2 Å²	74.2	52%	0.521	37%	0.374	S	S	.	.	H	α-helix	trans	-60.8	-37.9	179.4	0	0	0	0	0	113.1	K414 R415 K422	K414-A418 PolarHBondContact O-N 3.43Å; K414-A418 VanDerWaalsContact O-N 3.12Å; R415-A418 PolarHBondContact O-N 3.17Å; A418-K422 PolarHBondContact O-N 2.66Å
419	A	87.9	Confident	85.9	Confident	56 Å²	56	71.9 Å²	71.9	46%	0.463	36%	0.364	S	S	.	.	H	α-helix	trans	-66	-45.3	177.2	0	0	0	0	0	112.3	R415 Q416 I417 H421 K422 D423	R415-A419 PolarHBondContact O-N 2.86Å; R415-A419 VanDerWaalsContact O-N 3.08Å; Q416-A419 PolarHBondContact O-N 3.13Å; I417-A419 VanDerWaalsContact C-N 3.31Å; I417-A419 PolarHBondContact O-N 3.48Å; A419-H421 VanDerWaalsContact C-N 3.32Å; A419-H421 PolarHBondContact O-N 2.7Å; A419-K422 PolarHBondContact O-N 2.87Å; A419-D423 PolarHBondContact O-N 3.22Å; A419-D423 VanDerWaalsContact O-N 3.1Å
420	I	85.5	Confident	85.8	Confident	34 Å²	34	73.9 Å²	73.9	17%	0.174	37%	0.37	C	S	.	.	H	α-helix	trans	-67.2	-34.8	178.9	-67.4	169.8	0	0	0	111.3	Q416 I417 D423 L424 K763 L767 L770	Q416-I420 WeakPolarHBondContact O-CG1 3.48Å; Q416-I420 PolarHBondContact O-N 2.89Å; Q416-I420 VanDerWaalsContact O-N 3.15Å; I417-I420 PolarHBondContact O-N 3.14Å; I420-D423 WeakPolarHBondContact O-CB 3.48Å; I420-D423 PolarHBondContact O-N 2.93Å; I420-L424 HydrophobicContact CG2-CD1 4.31Å; I420-L424 WeakPolarHBondContact O-CG 3.36Å; I420-L424 PolarHBondContact O-N 2.88Å; I420-L424 VanDerWaalsContact O-N 3.12Å; I420-K763 HydrophobicContact CG2-CB 4.47Å; I420-L767 HydrophobicContact CB-CD1 4.14Å; I420-L767 HydrophobicContact CG2-CB 4.09Å; I420-L767 HydrophobicContact CG2-CD1 4.06Å; I420-L770 HydrophobicContact CD1-CD1 3.51Å
421	H	85.9	Confident	85.6	Confident	98 Å²	98	77 Å²	77	45%	0.454	38%	0.383	S	S	.	.	H	α-helix	trans	-64.1	-46.7	176.9	-158.7	64.5	0	0	0	111.9	I417 A419 D423 L424 E425	I417-H421 WeakPolarHBondContact O-CB 3.36Å; I417-H421 PolarHBondContact O-N 2.82Å; A419-H421 VanDerWaalsContact C-N 3.32Å; A419-H421 PolarHBondContact O-N 2.7Å; H421-D423 VanDerWaalsContact C-N 3.33Å; H421-D423 PolarHBondContact O-N 2.87Å; H421-L424 WeakPolarHBondContact O-CB 3.34Å; H421-L424 PolarHBondContact O-N 2.96Å; H421-L424 VanDerWaalsContact O-N 3.15Å; H421-E425 PolarHBondContact O-N 2.97Å
422	K	86.9	Confident	85.3	Confident	129 Å²	129	79 Å²	79	56%	0.561	39%	0.389	S	S	*	.	H	α-helix	trans	-60.1	-42.5	175.1	-176.2	179.1	177.7	-177.9	0	112.3	A418 A419 L424 E425 D426	A418-K422 PolarHBondContact O-N 2.66Å; A419-K422 PolarHBondContact O-N 2.87Å; K422-L424 VanDerWaalsContact C-N 3.25Å; K422-L424 PolarHBondContact O-N 3.03Å; K422-E425 PolarHBondContact O-N 3.42Å; K422-D426 PolarHBondContact O-N 2.86Å
423	D	84.3	Confident	85.3	Confident	73 Å²	73	80.2 Å²	80.2	39%	0.39	39%	0.391	S	S	.	.	H	α-helix	trans	-59.8	-34.2	176.5	-98.6	28.3	0	0	0	113.3	A419 I420 H421 T427 K763	A419-D423 PolarHBondContact O-N 3.22Å; A419-D423 VanDerWaalsContact O-N 3.1Å; I420-D423 WeakPolarHBondContact O-CB 3.48Å; I420-D423 PolarHBondContact O-N 2.93Å; H421-D423 VanDerWaalsContact C-N 3.33Å; H421-D423 PolarHBondContact O-N 2.87Å; D423-T427 PolarHBondContact O-N 3.02Å; D423-T427 PolarHBondContact O-OG1 3.24Å; D423-T427 VanDerWaalsContact O-OG1 3.07Å; D423-K763 HydrophobicContact CB-CD 4.36Å; D423-K763 IonicContact OD2-NZ 2.67Å; D423-K763 PolarHBondContact OD2-NZ 2.96Å
424	L	85.4	Confident	85.3	Confident	13 Å²	13	78.9 Å²	78.9	7%	0.068	39%	0.386	C	S	.	.	H	α-helix	trans	-69.8	-46.8	176.8	-79.6	163	0	0	0	111	I420 H421 K422 D426 T427 E428 F760 K763 Q764 L767	I420-L424 HydrophobicContact CG2-CD1 4.31Å; I420-L424 WeakPolarHBondContact O-CG 3.36Å; I420-L424 PolarHBondContact O-N 2.88Å; I420-L424 VanDerWaalsContact O-N 3.12Å; H421-L424 WeakPolarHBondContact O-CB 3.34Å; H421-L424 PolarHBondContact O-N 2.96Å; H421-L424 VanDerWaalsContact O-N 3.15Å; K422-L424 VanDerWaalsContact C-N 3.25Å; K422-L424 PolarHBondContact O-N 3.03Å; L424-D426 VanDerWaalsContact C-N 3.34Å; L424-D426 PolarHBondContact O-N 2.88Å; L424-T427 WeakPolarHBondContact CA-OG1 3.47Å; L424-T427 PolarHBondContact O-N 2.78Å; L424-T427 PolarHBondContact O-OG1 3.29Å; L424-E428 PolarHBondContact O-N 3.37Å; L424-F760 HydrophobicContact CB-CE2 4.38Å; L424-F760 HydrophobicContact CD2-CD2 3.6Å; L424-F760 HydrophobicContact CD2-CE2 3.63Å; L424-F760 HydrophobicContact CD2-CG 4.08Å; L424-F760 HydrophobicContact CD2-CZ 4.12Å; L424-K763 HydrophobicContact CD2-CB 3.8Å; L424-K763 HydrophobicContact CG-CB 4.13Å; L424-Q764 HydrophobicContact CD2-CB 4.4Å; L424-L767 HydrophobicContact CD1-CD2 4.18Å
425	E	86.7	Confident	85	Confident	115 Å²	115	77.5 Å²	77.5	54%	0.537	38%	0.383	S	S	.	.	H	α-helix	trans	-57.4	-45.8	175.5	-70.2	-179	163.6	0	0	111.7	H421 K422 T427 E428 M429	H421-E425 PolarHBondContact O-N 2.97Å; K422-E425 PolarHBondContact O-N 3.42Å; E425-T427 VanDerWaalsContact C-N 3.33Å; E425-T427 PolarHBondContact O-N 2.72Å; E425-E428 PolarHBondContact O-N 2.86Å; E425-M429 PolarHBondContact O-N 3.33Å
426	D	85.7	Confident	84.9	Confident	67 Å²	67	74.4 Å²	74.4	36%	0.358	38%	0.377	S	S	.	.	H	α-helix	trans	-62.7	-38.6	178.8	-78.4	-26.5	0	0	0	112.1	K422 L424 N430	K422-D426 PolarHBondContact O-N 2.86Å; L424-D426 VanDerWaalsContact C-N 3.34Å; L424-D426 PolarHBondContact O-N 2.88Å; D426-N430 PolarHBondContact O-N 3.28Å; D426-N430 PolarHBondContact O-ND2 3.01Å
427	T	83.2	Confident	84.9	Confident	21 Å²	21	74.8 Å²	74.8	13%	0.129	38%	0.378	C	S	.	.	H	α-helix	trans	-69.2	-34.1	176	45	0	0	0	0	113.5	D423 L424 E425 K431	D423-T427 PolarHBondContact O-N 3.02Å; D423-T427 PolarHBondContact O-OG1 3.24Å; D423-T427 VanDerWaalsContact O-OG1 3.07Å; L424-T427 WeakPolarHBondContact CA-OG1 3.47Å; L424-T427 PolarHBondContact O-N 2.78Å; L424-T427 PolarHBondContact O-OG1 3.29Å; E425-T427 VanDerWaalsContact C-N 3.33Å; E425-T427 PolarHBondContact O-N 2.72Å; T427-K431 PolarHBondContact O-N 3.31Å
428	E	82.4	Confident	84.8	Confident	105 Å²	105	77.1 Å²	77.1	49%	0.491	39%	0.386	S	S	.	.	H	α-helix	trans	-72.3	-45	179.2	-167.7	154	-148.2	0	0	111.3	L424 E425 N430 K431 E432 F760	L424-E428 PolarHBondContact O-N 3.37Å; E425-E428 PolarHBondContact O-N 2.86Å; E428-N430 VanDerWaalsContact C-N 3.29Å; E428-N430 PolarHBondContact O-N 3.45Å; E428-K431 VanDerWaalsContact O-CB 3.3Å; E428-K431 WeakPolarHBondContact O-CB 3.4Å; E428-K431 PolarHBondContact O-N 2.89Å; E428-E432 PolarHBondContact O-N 3.07Å; E428-F760 HydrophobicContact CB-CE2 4.33Å
429	M	84.4	Confident	84.6	Confident	83 Å²	83	78.1 Å²	78.1	41%	0.409	38%	0.383	S	S	.	.	H	α-helix	trans	-59.3	-38.6	174.4	-176.6	-178.6	49.4	0	0	112.4	E425 K431 E432 K433	E425-M429 PolarHBondContact O-N 3.33Å; M429-K431 VanDerWaalsContact C-N 3.33Å; M429-K431 PolarHBondContact O-N 3.17Å; M429-E432 PolarHBondContact O-N 3.04Å; M429-K433 WeakPolarHBondContact O-CG 3.44Å; M429-K433 PolarHBondContact O-N 3.44Å; M429-K433 VanDerWaalsContact O-N 3.14Å
430	N	83.8	Confident	84.5	Confident	78 Å²	78	81.9 Å²	81.9	42%	0.417	39%	0.389	S	S	.	.	H	α-helix	trans	-68.1	-31.8	176.6	-77.4	-34.8	0	0	0	112.8	D426 E428 N434	D426-N430 PolarHBondContact O-N 3.28Å; D426-N430 PolarHBondContact O-ND2 3.01Å; E428-N430 VanDerWaalsContact C-N 3.29Å; E428-N430 PolarHBondContact O-N 3.45Å; N430-N434 VanDerWaalsContact O-CG 3.31Å; N430-N434 PolarHBondContact O-N 3.08Å; N430-N434 PolarHBondContact O-ND2 3.3Å
431	K	82.5	Confident	84.5	Confident	66 Å²	66	81.3 Å²	81.3	29%	0.287	39%	0.386	S	S	.	.	H	α-helix	trans	-65.2	-44.4	176	-171.2	-173.1	-179.4	178.6	0	111.2	T427 E428 M429 L435 R753 E757	T427-K431 PolarHBondContact O-N 3.31Å; E428-K431 VanDerWaalsContact O-CB 3.3Å; E428-K431 WeakPolarHBondContact O-CB 3.4Å; E428-K431 PolarHBondContact O-N 2.89Å; M429-K431 VanDerWaalsContact C-N 3.33Å; M429-K431 PolarHBondContact O-N 3.17Å; K431-L435 PolarHBondContact O-N 3.06Å; K431-R753 HydrophobicContact CG-CG 4.05Å; K431-E757 WeakPolarHBondContact CE-OE1 3.34Å; K431-E757 IonicContact NZ-OE1 3.86Å; K431-E757 PolarHBondContact NZ-OE1 3.4Å
432	E	82.8	Confident	84.2	Confident	131 Å²	131	79.9 Å²	79.9	61%	0.612	38%	0.382	S	S	*	.	H	α-helix	trans	-65.6	-45.4	177.6	-77.2	-175.5	151.9	0	0	112.4	E428 M429 N434 L435 E436	E428-E432 PolarHBondContact O-N 3.07Å; M429-E432 PolarHBondContact O-N 3.04Å; E432-N434 VanDerWaalsContact C-N 3.31Å; E432-N434 PolarHBondContact O-N 2.79Å; E432-L435 WeakPolarHBondContact O-CB 3.41Å; E432-L435 PolarHBondContact O-N 3.14Å; E432-E436 PolarHBondContact O-N 3.18Å
433	K	85.5	Confident	84.1	Confident	103 Å²	103	80.1 Å²	80.1	45%	0.448	39%	0.385	S	S	.	.	H	α-helix	trans	-57.4	-42.3	177.5	-75.6	177.8	-178.9	171.7	0	113	M429 L435 E436 Q437	M429-K433 WeakPolarHBondContact O-CG 3.44Å; M429-K433 PolarHBondContact O-N 3.44Å; M429-K433 VanDerWaalsContact O-N 3.14Å; K433-L435 VanDerWaalsContact C-N 3.3Å; K433-L435 PolarHBondContact O-N 2.94Å; K433-E436 PolarHBondContact O-N 3.32Å; K433-Q437 WeakPolarHBondContact O-CG 3.39Å; K433-Q437 PolarHBondContact O-N 3.41Å; K433-Q437 VanDerWaalsContact O-N 3.17Å
434	N	83.8	Confident	84	Confident	23 Å²	23	80 Å²	80	12%	0.123	39%	0.385	C	S	.	.	H	α-helix	trans	-66.4	-32.2	177.7	-70.8	-33.3	0	0	0	112.3	N430 E432 Y438 L749	N430-N434 VanDerWaalsContact O-CG 3.31Å; N430-N434 PolarHBondContact O-N 3.08Å; N430-N434 PolarHBondContact O-ND2 3.3Å; E432-N434 VanDerWaalsContact C-N 3.31Å; E432-N434 PolarHBondContact O-N 2.79Å; N434-Y438 WeakPolarHBondContact O-CB 3.24Å; N434-Y438 PolarHBondContact O-N 2.99Å; N434-Y438 VanDerWaalsContact O-N 3.15Å; N434-L749 HydrophobicContact CB-CD2 4.48Å
435	L	82.1	Confident	83.9	Confident	63 Å²	63	80 Å²	80	33%	0.33	38%	0.384	S	S	.	.	H	α-helix	trans	-69.7	-43.5	176.3	177.3	68	0	0	0	111.8	K431 E432 K433 Q437 Y438 N439 R753	K431-L435 PolarHBondContact O-N 3.06Å; E432-L435 WeakPolarHBondContact O-CB 3.41Å; E432-L435 PolarHBondContact O-N 3.14Å; K433-L435 VanDerWaalsContact C-N 3.3Å; K433-L435 PolarHBondContact O-N 2.94Å; L435-Q437 PolarHBondContact O-N 3.33Å; L435-Y438 PolarHBondContact O-N 3.23Å; L435-N439 PolarHBondContact O-N 2.89Å; L435-N439 VanDerWaalsContact O-N 3.08Å; L435-R753 VanDerWaalsContact CD1-NH1 3.33Å
436	E	85.3	Confident	83.5	Confident	124 Å²	124	78.5 Å²	78.5	58%	0.579	38%	0.38	S	S	*	.	H	α-helix	trans	-62.5	-42.1	177	-72.7	-173.2	162.5	0	0	112.3	E432 K433 Y438 N439 K440	E432-E436 PolarHBondContact O-N 3.18Å; K433-E436 PolarHBondContact O-N 3.32Å; E436-Y438 VanDerWaalsContact C-N 3.34Å; E436-N439 PolarHBondContact O-N 3.17Å; E436-K440 PolarHBondContact O-N 3.35Å
437	Q	83.7	Confident	83.5	Confident	103 Å²	103	81.8 Å²	81.8	48%	0.481	39%	0.393	S	S	.	.	H	α-helix	trans	-63.9	-39.8	176.5	-73	-178.8	-16.4	0	0	112.1	K433 L435 K440 L441 L749	K433-Q437 WeakPolarHBondContact O-CG 3.39Å; K433-Q437 PolarHBondContact O-N 3.41Å; K433-Q437 VanDerWaalsContact O-N 3.17Å; L435-Q437 PolarHBondContact O-N 3.33Å; Q437-K440 PolarHBondContact O-N 2.75Å; Q437-L441 PolarHBondContact O-N 2.85Å; Q437-L749 HydrophobicContact CB-CD1 3.76Å; Q437-L749 HydrophobicContact CB-CD2 4.29Å
438	Y	85.5	Confident	83.5	Confident	71 Å²	71	81.5 Å²	81.5	28%	0.278	39%	0.392	S	S	.	.	H	α-helix	trans	-60.6	-46	175.4	-176.7	-83.9	0	0	0	111.5	N434 L435 E436 K440 L441 D442 M746 K750	N434-Y438 WeakPolarHBondContact O-CB 3.24Å; N434-Y438 PolarHBondContact O-N 2.99Å; N434-Y438 VanDerWaalsContact O-N 3.15Å; L435-Y438 PolarHBondContact O-N 3.23Å; E436-Y438 VanDerWaalsContact C-N 3.34Å; Y438-K440 VanDerWaalsContact C-N 3.31Å; Y438-K440 PolarHBondContact O-N 3.11Å; Y438-L441 PolarHBondContact O-N 3.37Å; Y438-D442 PolarHBondContact O-N 3.49Å; Y438-D442 VanDerWaalsContact O-N 3.1Å; Y438-M746 HydrophobicContact CD1-CE 3.94Å; Y438-M746 HydrophobicContact CD2-CB 4.13Å; Y438-M746 HydrophobicContact CD2-CE 4.04Å; Y438-M746 HydrophobicContact CD2-CG 4.43Å; Y438-M746 HydrophobicContact CE1-CE 3.65Å; Y438-M746 HydrophobicContact CE2-CB 3.9Å; Y438-M746 HydrophobicContact CE2-CE 3.8Å; Y438-M746 HydrophobicContact CE2-CG 4.41Å; Y438-M746 HydrophobicContact CG-CE 4.11Å; Y438-M746 VanDerWaalsContact O-CE 3.28Å; Y438-M746 WeakPolarHBondContact O-CE 3.39Å; Y438-K750 HydrophobicContact CE2-CB 4.47Å
439	N	83.3	Confident	83.3	Confident	85 Å²	85	81 Å²	81	46%	0.455	39%	0.388	S	S	.	.	H	α-helix	trans	-65.5	-32.7	-178.7	-69	-18.4	0	0	0	113.1	L435 E436 D442 Q443	L435-N439 PolarHBondContact O-N 2.89Å; L435-N439 VanDerWaalsContact O-N 3.08Å; E436-N439 PolarHBondContact O-N 3.17Å; N439-D442 PolarHBondContact O-N 3.44Å; N439-Q443 PolarHBondContact O-N 2.87Å
440	K	85.8	Confident	83.2	Confident	134 Å²	134	80.7 Å²	80.7	58%	0.583	39%	0.391	S	S	*	.	H	α-helix	trans	-66.1	-48	174.4	-73.1	178.9	-178.9	176.4	0	111.7	E436 Q437 Y438 D442 Q443 D444	E436-K440 PolarHBondContact O-N 3.35Å; Q437-K440 PolarHBondContact O-N 2.75Å; Y438-K440 VanDerWaalsContact C-N 3.31Å; Y438-K440 PolarHBondContact O-N 3.11Å; K440-D442 PolarHBondContact O-N 2.93Å; K440-Q443 WeakPolarHBondContact O-CB 3.45Å; K440-Q443 PolarHBondContact O-N 3.03Å; K440-Q443 VanDerWaalsContact O-N 3.1Å; K440-D444 PolarHBondContact O-N 3.24Å
441	L	85.3	Confident	83.2	Confident	22 Å²	22	82.6 Å²	82.6	12%	0.115	39%	0.392	C	S	.	.	H	α-helix	trans	-61.9	-29.4	177.8	-72.9	169.4	0	0	0	112.7	Q437 Y438 D444 L445 I742 E745 M746 L749	Q437-L441 PolarHBondContact O-N 2.85Å; Y438-L441 PolarHBondContact O-N 3.37Å; L441-D444 PolarHBondContact O-N 2.97Å; L441-L445 WeakPolarHBondContact O-CB 3.37Å; L441-L445 PolarHBondContact O-N 2.93Å; L441-I742 HydrophobicContact CB-CG2 4.1Å; L441-I742 HydrophobicContact CD2-CG1 4.47Å; L441-I742 HydrophobicContact CD2-CG2 4.15Å; L441-I742 WeakPolarHBondContact O-CG2 3.45Å; L441-E745 HydrophobicContact CD1-CB 3.86Å; L441-M746 HydrophobicContact CB-CE 4.29Å; L441-M746 HydrophobicContact CB-CG 3.62Å; L441-M746 HydrophobicContact CB-SD 4.18Å; L441-M746 HydrophobicContact CD1-CG 4.07Å; L441-M746 HydrophobicContact CG-CG 4.49Å; L441-L749 HydrophobicContact CD1-CD1 3.65Å
442	D	80.8	Confident	83	Confident	69 Å²	69	80.3 Å²	80.3	37%	0.369	38%	0.384	S	S	.	.	H	α-helix	trans	-67.3	-36.2	175.9	-163.2	60	0	0	0	112.2	Y438 N439 K440 N446 M746	Y438-D442 PolarHBondContact O-N 3.49Å; Y438-D442 VanDerWaalsContact O-N 3.1Å; N439-D442 PolarHBondContact O-N 3.44Å; K440-D442 PolarHBondContact O-N 2.93Å; D442-N446 PolarHBondContact O-N 2.91Å; D442-N446 PolarHBondContact O-ND2 3.5Å; D442-M746 VanDerWaalsContact CA-CE 3.49Å; D442-M746 HydrophobicContact CB-CE 3.45Å; D442-M746 VanDerWaalsContact CB-CE 3.45Å
443	Q	84.3	Confident	82.8	Confident	133 Å²	133	80.1 Å²	80.1	62%	0.621	38%	0.383	S	S	*	.	H	α-helix	trans	-68.4	-47.1	174.8	-69.2	179.4	-14.8	0	0	110.9	N439 K440 L445 N446 E447	N439-Q443 PolarHBondContact O-N 2.87Å; K440-Q443 WeakPolarHBondContact O-CB 3.45Å; K440-Q443 PolarHBondContact O-N 3.03Å; K440-Q443 VanDerWaalsContact O-N 3.1Å; Q443-L445 VanDerWaalsContact C-N 3.26Å; Q443-L445 PolarHBondContact O-N 3.38Å; Q443-N446 PolarHBondContact O-N 2.8Å; Q443-N446 VanDerWaalsContact O-N 3.07Å; Q443-E447 PolarHBondContact O-N 3.45Å
444	D	82.6	Confident	82.7	Confident	72 Å²	72	79.4 Å²	79.4	39%	0.385	38%	0.381	S	S	.	.	H	α-helix	trans	-58.7	-38.6	177.6	-64.4	-20.3	0	0	0	111.7	K440 L441 N446 E447 V448 I742	K440-D444 PolarHBondContact O-N 3.24Å; L441-D444 PolarHBondContact O-N 2.97Å; D444-N446 VanDerWaalsContact C-N 3.31Å; D444-N446 PolarHBondContact O-N 3.23Å; D444-E447 PolarHBondContact O-N 3.3Å; D444-V448 WeakPolarHBondContact O-CG2 3.42Å; D444-V448 PolarHBondContact O-N 3.35Å; D444-I742 HydrophobicContact CB-CD1 4.06Å
445	L	81.8	Confident	82.7	Confident	12 Å²	12	78.9 Å²	78.9	6%	0.063	38%	0.378	C	S	.	.	H	α-helix	trans	-60.1	-40.4	176.5	-168.3	85.9	0	0	0	112.3	L441 Q443 K449 R739 I742 L743	L441-L445 WeakPolarHBondContact O-CB 3.37Å; L441-L445 PolarHBondContact O-N 2.93Å; Q443-L445 VanDerWaalsContact C-N 3.26Å; Q443-L445 PolarHBondContact O-N 3.38Å; L445-K449 WeakPolarHBondContact O-CG 3.43Å; L445-K449 PolarHBondContact O-N 3.03Å; L445-K449 VanDerWaalsContact O-N 3.15Å; L445-R739 HydrophobicContact CD1-CG 3.89Å; L445-I742 HydrophobicContact CB-CG2 4.13Å; L445-I742 HydrophobicContact CD1-CB 4.26Å; L445-I742 HydrophobicContact CD1-CG2 3.89Å; L445-L743 HydrophobicContact CD1-CD2 4.04Å; L445-L743 HydrophobicContact CD1-CG 3.82Å; L445-L743 HydrophobicContact CD2-CD2 4.31Å
446	N	79.5	Confident	82.4	Confident	83 Å²	83	78.8 Å²	78.8	44%	0.444	38%	0.378	S	S	.	.	H	α-helix	trans	-70.6	-36.6	179.9	-74.3	-37.9	0	0	0	112	D442 Q443 D444 K449 T450	D442-N446 PolarHBondContact O-N 2.91Å; D442-N446 PolarHBondContact O-ND2 3.5Å; Q443-N446 PolarHBondContact O-N 2.8Å; Q443-N446 VanDerWaalsContact O-N 3.07Å; D444-N446 VanDerWaalsContact C-N 3.31Å; D444-N446 PolarHBondContact O-N 3.23Å; N446-K449 PolarHBondContact O-N 3.49Å; N446-T450 PolarHBondContact O-N 2.96Å
447	E	84.4	Confident	82.2	Confident	136 Å²	136	80.1 Å²	80.1	64%	0.636	38%	0.382	S	S	*	.	H	α-helix	trans	-65.9	-40.9	174.3	-67.7	-170.8	173.2	0	0	112.4	Q443 D444 K449 T450 R451	Q443-E447 PolarHBondContact O-N 3.45Å; D444-E447 PolarHBondContact O-N 3.3Å; E447-K449 VanDerWaalsContact C-N 3.31Å; E447-K449 PolarHBondContact O-N 3.44Å; E447-T450 PolarHBondContact O-N 2.83Å; E447-T450 PolarHBondContact O-OG1 3.4Å; E447-R451 PolarHBondContact O-N 2.89Å
448	V	83.1	Confident	82.1	Confident	16 Å²	16	80.2 Å²	80.2	10%	0.097	38%	0.381	C	S	.	.	H	α-helix	trans	-64.3	-37.9	176.6	173.9	0	0	0	0	111.1	D444 R451 V452 F735 R739 I742	D444-V448 WeakPolarHBondContact O-CG2 3.42Å; D444-V448 PolarHBondContact O-N 3.35Å; V448-R451 PolarHBondContact O-N 3.01Å; V448-V452 WeakPolarHBondContact O-CG2 3.46Å; V448-V452 PolarHBondContact O-N 3.49Å; V448-V452 VanDerWaalsContact O-N 3.16Å; V448-F735 HydrophobicContact CG1-CB 4.2Å; V448-F735 HydrophobicContact CG1-CD1 4.42Å; V448-F735 VanDerWaalsContact CG1-O 3.26Å; V448-F735 WeakPolarHBondContact CG1-O 3.48Å; V448-R739 HydrophobicContact CG1-CB 3.95Å; V448-I742 HydrophobicContact CG2-CD1 4.25Å
449	K	78.4	Confident	82	Confident	95 Å²	95	79.7 Å²	79.7	41%	0.413	38%	0.378	S	S	.	.	H	α-helix	trans	-61.5	-49.3	177	-80.7	177.4	179	173.4	0	112.7	L445 N446 E447 R451 V452 E453	L445-K449 WeakPolarHBondContact O-CG 3.43Å; L445-K449 PolarHBondContact O-N 3.03Å; L445-K449 VanDerWaalsContact O-N 3.15Å; N446-K449 PolarHBondContact O-N 3.49Å; E447-K449 VanDerWaalsContact C-N 3.31Å; E447-K449 PolarHBondContact O-N 3.44Å; K449-R451 VanDerWaalsContact C-N 3.25Å; K449-R451 PolarHBondContact O-N 3.48Å; K449-V452 PolarHBondContact O-N 2.88Å; K449-E453 PolarHBondContact O-N 2.93Å
450	T	83.1	Confident	81.6	Confident	76 Å²	76	80.2 Å²	80.2	47%	0.466	38%	0.375	S	S	.	.	H	α-helix	trans	-62.5	-35.9	179.7	56.7	0	0	0	0	111.6	N446 E447 V452 E453 E454	N446-T450 PolarHBondContact O-N 2.96Å; E447-T450 PolarHBondContact O-N 2.83Å; E447-T450 PolarHBondContact O-OG1 3.4Å; T450-V452 PolarHBondContact O-N 3.35Å; T450-E453 PolarHBondContact O-N 3.37Å; T450-E454 PolarHBondContact O-N 2.99Å; T450-E454 VanDerWaalsContact O-N 3.13Å
451	R	82.7	Confident	81.5	Confident	117 Å²	117	80.1 Å²	80.1	44%	0.442	38%	0.376	S	S	.	.	H	α-helix	trans	-65.6	-37.5	177.1	-149.3	73.2	-177.1	151.1	5.2	113.6	E447 V448 K449 E454 L455 F735	E447-R451 PolarHBondContact O-N 2.89Å; V448-R451 PolarHBondContact O-N 3.01Å; K449-R451 VanDerWaalsContact C-N 3.25Å; K449-R451 PolarHBondContact O-N 3.48Å; R451-E454 IonicContact CZ-OE2 3.19Å; R451-E454 IonicContact NH1-OE2 2.81Å; R451-E454 PolarHBondContact NH1-OE2 3.02Å; R451-L455 WeakPolarHBondContact O-CG 3.33Å; R451-L455 PolarHBondContact O-N 3.32Å; R451-F735 HydrophobicContact CG-CD1 4.48Å; R451-F735 HydrophobicContact CG-CD2 4.35Å; R451-F735 HydrophobicContact CG-CE1 4.09Å; R451-F735 HydrophobicContact CG-CE2 3.96Å; R451-F735 HydrophobicContact CG-CZ 3.82Å
452	V	79.4	Confident	81.5	Confident	19 Å²	19	79.9 Å²	79.9	12%	0.115	38%	0.376	C	S	.	.	H	α-helix	trans	-65	-44.5	176.3	172.1	0	0	0	0	110.5	V448 K449 T450 E454 L455 D456 F735	V448-V452 WeakPolarHBondContact O-CG2 3.46Å; V448-V452 PolarHBondContact O-N 3.49Å; V448-V452 VanDerWaalsContact O-N 3.16Å; K449-V452 PolarHBondContact O-N 2.88Å; T450-V452 PolarHBondContact O-N 3.35Å; V452-E454 PolarHBondContact O-N 3.2Å; V452-L455 PolarHBondContact O-N 2.94Å; V452-D456 PolarHBondContact O-N 2.98Å; V452-F735 HydrophobicContact CG2-CB 3.77Å
453	E	78	Confident	81.5	Confident	127 Å²	127	78.9 Å²	78.9	59%	0.593	37%	0.368	S	S	*	.	H	α-helix	trans	-62.3	-38.8	178.1	-68.2	178.8	179.2	0	0	113	K449 T450 D456 K457	K449-E453 PolarHBondContact O-N 2.93Å; T450-E453 PolarHBondContact O-N 3.37Å; E453-D456 PolarHBondContact O-N 3.4Å; E453-K457 PolarHBondContact O-N 3.47Å
454	E	83.4	Confident	81.3	Confident	88 Å²	88	76.9 Å²	76.9	41%	0.411	36%	0.362	S	S	.	.	H	α-helix	trans	-63.9	-41.2	174.6	-75.7	-177.3	177.7	0	0	112.6	T450 R451 V452 K457 K458	T450-E454 PolarHBondContact O-N 2.99Å; T450-E454 VanDerWaalsContact O-N 3.13Å; R451-E454 IonicContact CZ-OE2 3.19Å; R451-E454 IonicContact NH1-OE2 2.81Å; R451-E454 PolarHBondContact NH1-OE2 3.02Å; V452-E454 PolarHBondContact O-N 3.2Å; E454-K457 PolarHBondContact O-N 3.03Å; E454-K458 PolarHBondContact O-N 2.83Å
455	L	83.4	Confident	81.3	Confident	12 Å²	12	79.7 Å²	79.7	6%	0.063	37%	0.371	C	S	.	.	H	α-helix	trans	-68.3	-37.5	178.8	-71.8	171	0	0	0	111.6	R451 V452 K458 Y459 I728 Q731 Q732 F735	R451-L455 WeakPolarHBondContact O-CG 3.33Å; R451-L455 PolarHBondContact O-N 3.32Å; V452-L455 PolarHBondContact O-N 2.94Å; L455-K458 PolarHBondContact O-N 2.84Å; L455-Y459 WeakPolarHBondContact O-CB 3.49Å; L455-Y459 PolarHBondContact O-N 3.47Å; L455-I728 HydrophobicContact CB-CG2 4.22Å; L455-I728 HydrophobicContact CD2-CG2 4.21Å; L455-I728 WeakPolarHBondContact O-CG2 3.48Å; L455-Q731 HydrophobicContact CD1-CB 3.88Å; L455-Q731 HydrophobicContact CD2-CB 4.41Å; L455-Q732 HydrophobicContact CB-CG 3.71Å; L455-Q732 HydrophobicContact CD1-CG 4.08Å; L455-F735 HydrophobicContact CD1-CD2 3.65Å; L455-F735 HydrophobicContact CD1-CE2 3.94Å
456	D	75.8	Confident	81.5	Confident	61 Å²	61	81 Å²	81	33%	0.326	38%	0.376	S	S	.	.	H	α-helix	trans	-59.3	-46.4	174.5	-81.9	-38.7	0	0	0	111.4	V452 E453 K458 Y459 Y460 Q732	V452-D456 PolarHBondContact O-N 2.98Å; E453-D456 PolarHBondContact O-N 3.4Å; D456-K458 PolarHBondContact O-N 3.34Å; D456-Y459 WeakPolarHBondContact O-CB 3.35Å; D456-Y459 PolarHBondContact O-N 3.38Å; D456-Y460 VanDerWaalsContact O-CD2 3.29Å; D456-Y460 WeakPolarHBondContact O-CD2 3.43Å; D456-Y460 PolarHBondContact O-N 2.91Å; D456-Q732 PolarHBondContact OD1-NE2 3.18Å
457	K	81.5	Confident	81.4	Confident	151 Å²	151	80.2 Å²	80.2	66%	0.657	37%	0.372	S	S	*	.	H	α-helix	trans	-59.1	-47.1	177	-73.5	179.1	-179.5	173.7	0	112.4	E453 E454 Y459 Y460 E461	E453-K457 PolarHBondContact O-N 3.47Å; E454-K457 PolarHBondContact O-N 3.03Å; K457-Y459 VanDerWaalsContact C-N 3.32Å; K457-Y459 PolarHBondContact O-N 3.38Å; K457-Y460 PolarHBondContact O-N 3.02Å; K457-E461 PolarHBondContact O-N 3.43Å
458	K	82.6	Confident	81.2	Confident	106 Å²	106	79.9 Å²	79.9	46%	0.461	37%	0.37	S	S	.	.	H	α-helix	trans	-62.5	-38.3	178.6	-73.1	-179.3	179.7	177.3	0	112.4	E454 L455 D456 Y460 E461 V462 I728	E454-K458 PolarHBondContact O-N 2.83Å; L455-K458 PolarHBondContact O-N 2.84Å; D456-K458 PolarHBondContact O-N 3.34Å; K458-Y460 VanDerWaalsContact C-N 3.32Å; K458-Y460 PolarHBondContact O-N 2.91Å; K458-E461 PolarHBondContact O-N 2.91Å; K458-V462 WeakPolarHBondContact O-CG2 3.26Å; K458-V462 PolarHBondContact O-N 3.43Å; K458-V462 VanDerWaalsContact O-N 3.16Å; K458-I728 HydrophobicContact CB-CD1 4.12Å
459	Y	83.6	Confident	81.2	Confident	59 Å²	59	80.6 Å²	80.6	23%	0.231	37%	0.373	C	S	.	.	H	α-helix	trans	-59.4	-43.8	176.3	-178.7	-95.6	0	0	0	111.7	L455 D456 K457 V462 K463 M725 I728	L455-Y459 WeakPolarHBondContact O-CB 3.49Å; L455-Y459 PolarHBondContact O-N 3.47Å; D456-Y459 WeakPolarHBondContact O-CB 3.35Å; D456-Y459 PolarHBondContact O-N 3.38Å; K457-Y459 VanDerWaalsContact C-N 3.32Å; K457-Y459 PolarHBondContact O-N 3.38Å; Y459-V462 PolarHBondContact O-N 3.38Å; Y459-K463 HydrophobicContact CE1-CD 4.28Å; Y459-K463 VanDerWaalsContact O-CB 3.31Å; Y459-K463 WeakPolarHBondContact O-CB 3.41Å; Y459-K463 PolarHBondContact O-N 3.04Å; Y459-M725 HydrophobicContact CD2-CB 4.42Å; Y459-M725 HydrophobicContact CD2-CE 4.32Å; Y459-M725 HydrophobicContact CD2-CG 4.44Å; Y459-M725 HydrophobicContact CE1-CE 4.14Å; Y459-M725 HydrophobicContact CE2-CB 4.07Å; Y459-M725 HydrophobicContact CE2-CE 3.47Å; Y459-M725 VanDerWaalsContact CE2-CE 3.47Å; Y459-M725 HydrophobicContact CE2-CG 4.25Å; Y459-M725 VanDerWaalsContact OH-CE 3.26Å; Y459-M725 WeakPolarHBondContact OH-CE 3.48Å; Y459-I728 HydrophobicContact CD2-CG2 4.38Å
460	Y	74.8	Confident	81.2	Confident	97 Å²	97	78.2 Å²	78.2	38%	0.38	36%	0.364	S	S	.	.	H	α-helix	trans	-65.3	-41	177.8	-85.3	-77.3	0	0	0	113.3	D456 K457 K458 V462 K463 N464 A868	D456-Y460 VanDerWaalsContact O-CD2 3.29Å; D456-Y460 WeakPolarHBondContact O-CD2 3.43Å; D456-Y460 PolarHBondContact O-N 2.91Å; K457-Y460 PolarHBondContact O-N 3.02Å; K458-Y460 VanDerWaalsContact C-N 3.32Å; K458-Y460 PolarHBondContact O-N 2.91Å; Y460-V462 PolarHBondContact O-N 3.21Å; Y460-K463 PolarHBondContact O-N 2.84Å; Y460-N464 PolarHBondContact O-N 3.42Å; Y460-A868 VanDerWaalsContact OH-CB 3.3Å; Y460-A868 WeakPolarHBondContact OH-CB 3.45Å
461	E	83.5	Confident	80.9	Confident	131 Å²	131	78.2 Å²	78.2	61%	0.612	37%	0.366	S	S	*	.	H	α-helix	trans	-61.4	-44.9	177.3	-72.7	177.5	-178.5	0	0	112.2	K457 K458 K465	K457-E461 PolarHBondContact O-N 3.43Å; K458-E461 PolarHBondContact O-N 2.91Å; E461-K465 PolarHBondContact O-N 3.38Å
462	V	85.6	Confident	80.7	Confident	18 Å²	18	77.7 Å²	77.7	11%	0.109	37%	0.369	C	S	.	.	H	α-helix	trans	-67.1	-40.6	178.2	178.5	0	0	0	0	110.8	K458 Y459 Y460 N464 K465 K466 L721 Q724 M725 I728	K458-V462 WeakPolarHBondContact O-CG2 3.26Å; K458-V462 PolarHBondContact O-N 3.43Å; K458-V462 VanDerWaalsContact O-N 3.16Å; Y459-V462 PolarHBondContact O-N 3.38Å; Y460-V462 PolarHBondContact O-N 3.21Å; V462-N464 PolarHBondContact O-N 2.85Å; V462-K465 PolarHBondContact O-N 3.26Å; V462-K466 WeakPolarHBondContact O-CB 3.34Å; V462-K466 PolarHBondContact O-N 3.28Å; V462-L721 HydrophobicContact CG1-CB 4.14Å; V462-L721 HydrophobicContact CG1-CD2 3.89Å; V462-L721 WeakPolarHBondContact CG1-O 3.27Å; V462-Q724 HydrophobicContact CG1-CB 4.18Å; V462-M725 HydrophobicContact CB-CG 4.16Å; V462-M725 HydrophobicContact CG1-CG 3.54Å; V462-M725 HydrophobicContact CG1-SD 4.41Å; V462-I728 HydrophobicContact CG2-CD1 4.28Å
463	K	80.9	Confident	80.8	Confident	47 Å²	47	80.4 Å²	80.4	20%	0.204	38%	0.377	C	S	.	.	H	α-helix	trans	-59.7	-45.5	177.2	-175.2	-177.6	174.6	-172.3	0	111.9	Y459 Y460 K466 D467 M725 E872	Y459-K463 HydrophobicContact CE1-CD 4.28Å; Y459-K463 VanDerWaalsContact O-CB 3.31Å; Y459-K463 WeakPolarHBondContact O-CB 3.41Å; Y459-K463 PolarHBondContact O-N 3.04Å; Y460-K463 PolarHBondContact O-N 2.84Å; K463-K466 PolarHBondContact O-N 3.46Å; K463-D467 PolarHBondContact O-N 2.94Å; K463-M725 HydrophobicContact CB-CE 4.03Å; K463-M725 HydrophobicContact CB-SD 4.33Å; K463-M725 HydrophobicContact CG-CE 4.14Å; K463-E872 IonicContact NZ-OE1 2.76Å; K463-E872 PolarHBondContact NZ-OE1 3.27Å
464	N	79.2	Confident	80.7	Confident	92 Å²	92	77.5 Å²	77.5	49%	0.492	37%	0.366	S	S	.	.	H	α-helix	trans	-62.6	-47.2	-180	-73.2	-9.4	0	0	0	112.1	Y460 V462 K466 D467 E468	Y460-N464 PolarHBondContact O-N 3.42Å; V462-N464 PolarHBondContact O-N 2.85Å; N464-K466 VanDerWaalsContact C-N 3.3Å; N464-K466 PolarHBondContact O-N 2.74Å; N464-D467 PolarHBondContact O-N 3.05Å; N464-D467 VanDerWaalsContact O-N 3.16Å; N464-E468 PolarHBondContact O-N 3.47Å
465	K	82.6	Confident	80.5	Confident	130 Å²	130	79.5 Å²	79.5	57%	0.565	37%	0.37	S	S	*	.	H	α-helix	trans	-59.5	-40.4	175.8	-82.2	-179.7	174.8	176.6	0	112.7	E461 V462 D467 E468 L469 L721	E461-K465 PolarHBondContact O-N 3.38Å; V462-K465 PolarHBondContact O-N 3.26Å; K465-D467 VanDerWaalsContact C-N 3.33Å; K465-E468 PolarHBondContact O-N 3.21Å; K465-L469 PolarHBondContact O-N 3.47Å; K465-L469 VanDerWaalsContact O-N 3.09Å; K465-L721 HydrophobicContact CB-CD1 4.19Å
466	K	86.1	Confident	80.3	Confident	41 Å²	41	80.3 Å²	80.3	18%	0.178	38%	0.375	C	S	.	.	H	α-helix	trans	-64.6	-39.4	177.6	173.7	-99.3	160.1	-165.3	0	111.1	V462 K463 N464 Q470 L721	V462-K466 WeakPolarHBondContact O-CB 3.34Å; V462-K466 PolarHBondContact O-N 3.28Å; K463-K466 PolarHBondContact O-N 3.46Å; N464-K466 VanDerWaalsContact C-N 3.3Å; N464-K466 PolarHBondContact O-N 2.74Å; K466-Q470 VanDerWaalsContact CE-OE1 3.27Å; K466-Q470 VanDerWaalsContact O-CB 3.27Å; K466-Q470 WeakPolarHBondContact O-CB 3.35Å; K466-Q470 PolarHBondContact O-N 3.32Å; K466-L721 HydrophobicContact CB-CB 4.02Å; K466-L721 HydrophobicContact CB-CD1 3.95Å; K466-L721 HydrophobicContact CG-CB 4.46Å
467	D	76.4	Confident	80.4	Confident	66 Å²	66	83.5 Å²	83.5	35%	0.353	38%	0.382	S	S	.	.	H	α-helix	trans	-71.5	-33.2	178	-72.1	-17.6	0	0	0	112.6	K463 N464 K465 S471	K463-D467 PolarHBondContact O-N 2.94Å; N464-D467 PolarHBondContact O-N 3.05Å; N464-D467 VanDerWaalsContact O-N 3.16Å; K465-D467 VanDerWaalsContact C-N 3.33Å; D467-S471 PolarHBondContact O-N 3.38Å; D467-S471 VanDerWaalsContact O-N 3.13Å
468	E	81.3	Confident	80.1	Confident	129 Å²	129	80.5 Å²	80.5	60%	0.603	37%	0.367	S	S	*	.	H	α-helix	trans	-61.2	-54.8	171	-73.8	171.7	-177.9	0	0	111.5	N464 K465 Q470 S471 E472	N464-E468 PolarHBondContact O-N 3.47Å; K465-E468 PolarHBondContact O-N 3.21Å; E468-Q470 VanDerWaalsContact C-N 3.27Å; E468-Q470 PolarHBondContact O-N 3.44Å; E468-S471 WeakPolarHBondContact O-CB 3.42Å; E468-S471 PolarHBondContact O-N 3.27Å; E468-S471 PolarHBondContact O-OG 3.48Å; E468-E472 PolarHBondContact O-N 2.94Å; E468-E472 VanDerWaalsContact O-N 3.17Å
469	L	82.8	Confident	79.9	Confident	31 Å²	31	79 Å²	79	16%	0.162	36%	0.362	C	S	.	.	H	α-helix	trans	-62.2	-34.6	178.3	-70.7	173.4	0	0	0	112.5	K465 S471 E472 R473 L714 E717 I718 L721	K465-L469 PolarHBondContact O-N 3.47Å; K465-L469 VanDerWaalsContact O-N 3.09Å; L469-S471 VanDerWaalsContact C-N 3.27Å; L469-S471 PolarHBondContact O-N 2.87Å; L469-E472 PolarHBondContact O-N 3.07Å; L469-R473 WeakPolarHBondContact O-CB 3.34Å; L469-R473 PolarHBondContact O-N 3.36Å; L469-L714 HydrophobicContact CB-CD2 4.24Å; L469-L714 HydrophobicContact CD2-CD2 3.94Å; L469-L714 WeakPolarHBondContact O-CD2 3.44Å; L469-E717 HydrophobicContact CD1-CB 3.97Å; L469-I718 HydrophobicContact CB-CD1 4.36Å; L469-I718 HydrophobicContact CB-CG1 3.95Å; L469-L721 HydrophobicContact CD1-CD1 3.7Å
470	Q	79.1	Confident	79.8	Confident	45 Å²	45	77.2 Å²	77.2	21%	0.21	36%	0.355	C	S	.	.	H	α-helix	trans	-62.1	-36.8	174.4	-162.8	94.5	30.2	0	0	111.8	K466 E468 N474	K466-Q470 VanDerWaalsContact CE-OE1 3.27Å; K466-Q470 VanDerWaalsContact O-CB 3.27Å; K466-Q470 WeakPolarHBondContact O-CB 3.35Å; K466-Q470 PolarHBondContact O-N 3.32Å; E468-Q470 VanDerWaalsContact C-N 3.27Å; E468-Q470 PolarHBondContact O-N 3.44Å; Q470-N474 PolarHBondContact O-N 3.46Å; Q470-N474 VanDerWaalsContact O-N 3.14Å; Q470-N474 PolarHBondContact O-ND2 2.96Å
471	S	75.8	Confident	79.9	Confident	75 Å²	75	74.8 Å²	74.8	52%	0.524	35%	0.349	S	S	.	.	H	α-helix	trans	-69.7	-41.3	177.9	75.6	0	0	0	0	112.2	D467 E468 L469 N474 Y475	D467-S471 PolarHBondContact O-N 3.38Å; D467-S471 VanDerWaalsContact O-N 3.13Å; E468-S471 WeakPolarHBondContact O-CB 3.42Å; E468-S471 PolarHBondContact O-N 3.27Å; E468-S471 PolarHBondContact O-OG 3.48Å; L469-S471 VanDerWaalsContact C-N 3.27Å; L469-S471 PolarHBondContact O-N 2.87Å; S471-N474 PolarHBondContact O-N 2.92Å; S471-Y475 PolarHBondContact O-N 3.42Å
472	E	80	Confident	79.6	Confident	106 Å²	106	71.2 Å²	71.2	50%	0.495	34%	0.342	S	S	.	.	H	α-helix	trans	-66	-42.2	176.7	-171.5	172.6	-168.7	0	0	111.6	E468 L469 N474 Y475 L476 L714	E468-E472 PolarHBondContact O-N 2.94Å; E468-E472 VanDerWaalsContact O-N 3.17Å; L469-E472 PolarHBondContact O-N 3.07Å; E472-N474 VanDerWaalsContact C-N 3.31Å; E472-N474 PolarHBondContact O-N 3.05Å; E472-Y475 WeakPolarHBondContact O-CB 3.34Å; E472-Y475 PolarHBondContact O-N 3.23Å; E472-Y475 VanDerWaalsContact O-N 3.16Å; E472-L476 PolarHBondContact O-N 3.27Å; E472-L714 HydrophobicContact CB-CD2 4.21Å; E472-L714 HydrophobicContact CG-CD2 4.37Å
473	R	81.2	Confident	79.3	Confident	76 Å²	76	73.6 Å²	73.6	29%	0.287	35%	0.352	S	S	.	.	H	α-helix	trans	-56.3	-45.5	172	-175.7	-163.2	133.3	-173.5	-2	111.6	L469 Y475 L476 W477 I710 L714 I718	L469-R473 WeakPolarHBondContact O-CB 3.34Å; L469-R473 PolarHBondContact O-N 3.36Å; R473-Y475 VanDerWaalsContact C-N 3.31Å; R473-Y475 PolarHBondContact O-N 3.22Å; R473-L476 PolarHBondContact O-N 3.47Å; R473-W477 VanDerWaalsContact O-CB 3.31Å; R473-W477 WeakPolarHBondContact O-CB 3.42Å; R473-W477 PolarHBondContact O-N 3.31Å; R473-I710 HydrophobicContact CG-CG2 4.46Å; R473-L714 HydrophobicContact CB-CB 4.43Å; R473-L714 HydrophobicContact CB-CD2 4.29Å; R473-I718 HydrophobicContact CB-CD1 4.35Å
474	N	76.3	Confident	79.3	Confident	67 Å²	67	75.1 Å²	75.1	36%	0.358	36%	0.359	S	S	.	.	H	α-helix	trans	-65.9	-34.5	179.9	-72.6	-15.9	0	0	0	112	Q470 S471 E472 R478	Q470-N474 PolarHBondContact O-N 3.46Å; Q470-N474 VanDerWaalsContact O-N 3.14Å; Q470-N474 PolarHBondContact O-ND2 2.96Å; S471-N474 PolarHBondContact O-N 2.92Å; E472-N474 VanDerWaalsContact C-N 3.31Å; E472-N474 PolarHBondContact O-N 3.05Å; N474-R478 WeakPolarHBondContact O-CG 3.24Å; N474-R478 PolarHBondContact O-N 3.37Å
475	Y	78.2	Confident	79.2	Confident	129 Å²	129	76 Å²	76	51%	0.506	36%	0.361	S	S	.	.	H	α-helix	trans	-63.8	-53.4	173.9	174.7	-92.3	0	0	0	111.4	S471 E472 R473 W477 R478 E479	S471-Y475 PolarHBondContact O-N 3.42Å; E472-Y475 WeakPolarHBondContact O-CB 3.34Å; E472-Y475 PolarHBondContact O-N 3.23Å; E472-Y475 VanDerWaalsContact O-N 3.16Å; R473-Y475 VanDerWaalsContact C-N 3.31Å; R473-Y475 PolarHBondContact O-N 3.22Å; Y475-W477 PolarHBondContact O-N 3.47Å; Y475-R478 WeakPolarHBondContact O-CB 3.26Å; Y475-R478 PolarHBondContact O-N 3.21Å; Y475-E479 VanDerWaalsContact CE1-CD 3.43Å; Y475-E479 HydrophobicContact CE1-CG 4.11Å; Y475-E479 WeakPolarHBondContact CE1-OE2 3.26Å; Y475-E479 PolarHBondContact O-N 3.13Å; Y475-E479 PolarHBondContact OH-OE1 2.82Å
476	L	79	Confident	78.9	Confident	29 Å²	29	71.8 Å²	71.8	15%	0.152	35%	0.35	C	S	.	.	H	α-helix	trans	-62.2	-34.3	-179.9	-69	172.1	0	0	0	112.1	E472 R473 R478 E479 E480 L706 I710 L714	E472-L476 PolarHBondContact O-N 3.27Å; R473-L476 PolarHBondContact O-N 3.47Å; L476-R478 VanDerWaalsContact C-N 3.29Å; L476-R478 PolarHBondContact O-N 2.97Å; L476-E479 PolarHBondContact O-N 2.99Å; L476-E480 PolarHBondContact O-N 3.14Å; L476-L706 HydrophobicContact CB-CD2 4.45Å; L476-L706 HydrophobicContact CD2-CD2 4.14Å; L476-I710 HydrophobicContact CB-CD1 3.93Å; L476-I710 HydrophobicContact CB-CG1 3.72Å; L476-I710 HydrophobicContact CD1-CG1 4.49Å; L476-L714 HydrophobicContact CD1-CD1 3.47Å; L476-L714 VanDerWaalsContact CD1-CD1 3.47Å
477	W	78.6	Confident	78.8	Confident	129 Å²	129	70.3 Å²	70.3	49%	0.489	34%	0.344	S	S	.	.	H	α-helix	trans	-65.5	-30.4	175	-170	74.4	0	0	0	113	R473 Y475 N481	R473-W477 VanDerWaalsContact O-CB 3.31Å; R473-W477 WeakPolarHBondContact O-CB 3.42Å; R473-W477 PolarHBondContact O-N 3.31Å; Y475-W477 PolarHBondContact O-N 3.47Å; W477-N481 WeakPolarHBondContact CH2-ND2 3.41Å; W477-N481 WeakPolarHBondContact CZ2-ND2 3.35Å; W477-N481 WeakPolarHBondContact CZ3-ND2 3.42Å; W477-N481 PolarHBondContact O-N 2.76Å; W477-N481 VanDerWaalsContact O-N 3.14Å; W477-N481 PolarHBondContact O-ND2 3.34Å; W477-N481 VanDerWaalsContact O-ND2 3.16Å
478	R	75.2	Confident	79	Confident	87 Å²	87	69.7 Å²	69.7	33%	0.328	35%	0.348	S	S	.	.	H	α-helix	trans	-69.4	-44.3	172.2	-68.7	172.3	-166.1	-172.3	1.2	111.2	E295 N474 Y475 L476 E480 N481 A482	E295-R478 IonicContact OE1-NH2 3.35Å; E295-R478 IonicContact OE2-CZ 3.99Å; E295-R478 IonicContact OE2-NH1 4Å; E295-R478 IonicContact OE2-NH2 3.48Å; E295-R478 PolarHBondContact OE2-NH2 3.42Å; N474-R478 WeakPolarHBondContact O-CG 3.24Å; N474-R478 PolarHBondContact O-N 3.37Å; Y475-R478 WeakPolarHBondContact O-CB 3.26Å; Y475-R478 PolarHBondContact O-N 3.21Å; L476-R478 VanDerWaalsContact C-N 3.29Å; L476-R478 PolarHBondContact O-N 2.97Å; R478-E480 VanDerWaalsContact C-N 3.34Å; R478-N481 PolarHBondContact O-N 3.39Å; R478-A482 PolarHBondContact O-N 2.89Å
479	E	77.6	Confident	78.9	Confident	76 Å²	76	66.3 Å²	66.3	36%	0.355	34%	0.342	S	S	.	.	H	α-helix	trans	-60.8	-42.3	174.3	-75.2	-173.6	149.4	0	0	111.6	Y475 L476 N481 A482 E483 L706	Y475-E479 VanDerWaalsContact CE1-CD 3.43Å; Y475-E479 HydrophobicContact CE1-CG 4.11Å; Y475-E479 WeakPolarHBondContact CE1-OE2 3.26Å; Y475-E479 PolarHBondContact O-N 3.13Å; Y475-E479 PolarHBondContact OH-OE1 2.82Å; L476-E479 PolarHBondContact O-N 2.99Å; E479-N481 PolarHBondContact O-N 3.24Å; E479-A482 PolarHBondContact O-N 3.39Å; E479-E483 WeakPolarHBondContact O-CG 3.44Å; E479-E483 PolarHBondContact O-N 2.67Å; E479-L706 HydrophobicContact CB-CD2 3.77Å
480	E	81	Confident	78.9	Confident	20 Å²	20	68.2 Å²	68.2	9%	0.093	35%	0.349	C	S	.	.	H	α-helix	trans	-57.7	-48.8	175.6	-170.6	-166.3	-180	0	0	111.3	L476 R478 A482 E483 Q484 L706 R707 I710	L476-E480 PolarHBondContact O-N 3.14Å; R478-E480 VanDerWaalsContact C-N 3.34Å; E480-A482 VanDerWaalsContact C-N 3.35Å; E480-A482 PolarHBondContact O-N 3.5Å; E480-E483 PolarHBondContact O-N 3.09Å; E480-Q484 VanDerWaalsContact O-CB 3.24Å; E480-Q484 WeakPolarHBondContact O-CB 3.35Å; E480-Q484 PolarHBondContact O-N 2.89Å; E480-L706 HydrophobicContact CB-CB 4.35Å; E480-L706 HydrophobicContact CG-CB 4.46Å; E480-R707 WeakPolarHBondContact OE1-CG 3.43Å; E480-R707 IonicContact OE1-CZ 3.69Å; E480-R707 IonicContact OE1-NE 3.99Å; E480-R707 PolarHBondContact OE1-NE 3.11Å; E480-R707 IonicContact OE1-NH2 3.48Å; E480-I710 HydrophobicContact CB-CD1 4.05Å
481	N	77.1	Confident	79.1	Confident	46 Å²	46	72.2 Å²	72.2	25%	0.246	36%	0.362	C	S	.	.	H	α-helix	trans	-63.9	-39.1	-179.7	-76.5	-37.7	0	0	0	112.7	W477 R478 E479 Q484 Q485	W477-N481 WeakPolarHBondContact CH2-ND2 3.41Å; W477-N481 WeakPolarHBondContact CZ2-ND2 3.35Å; W477-N481 WeakPolarHBondContact CZ3-ND2 3.42Å; W477-N481 PolarHBondContact O-N 2.76Å; W477-N481 VanDerWaalsContact O-N 3.14Å; W477-N481 PolarHBondContact O-ND2 3.34Å; W477-N481 VanDerWaalsContact O-ND2 3.16Å; R478-N481 PolarHBondContact O-N 3.39Å; E479-N481 PolarHBondContact O-N 3.24Å; N481-Q484 PolarHBondContact O-N 2.79Å; N481-Q485 WeakPolarHBondContact O-CG 3.21Å; N481-Q485 PolarHBondContact O-N 3.21Å
482	A	77.5	Confident	79.4	Confident	56 Å²	56	73.6 Å²	73.6	46%	0.463	36%	0.36	S	S	.	.	H	α-helix	trans	-63.7	-47.5	177.6	0	0	0	0	0	111.4	R478 E479 E480 Q484 Q485 A486	R478-A482 PolarHBondContact O-N 2.89Å; E479-A482 PolarHBondContact O-N 3.39Å; E480-A482 VanDerWaalsContact C-N 3.35Å; E480-A482 PolarHBondContact O-N 3.5Å; A482-Q484 VanDerWaalsContact C-N 3.31Å; A482-Q484 PolarHBondContact O-N 3.47Å; A482-Q485 PolarHBondContact O-N 3.22Å; A482-A486 PolarHBondContact O-N 2.97Å
483	E	80.4	Confident	79.4	Confident	68 Å²	68	71.2 Å²	71.2	32%	0.318	35%	0.351	S	S	.	.	H	α-helix	trans	-64.6	-36.6	175.5	-70.8	-66	168.4	0	0	111.5	E479 E480 Q485 A486 L487 L698 L702 L706	E479-E483 WeakPolarHBondContact O-CG 3.44Å; E479-E483 PolarHBondContact O-N 2.67Å; E480-E483 PolarHBondContact O-N 3.09Å; E483-Q485 PolarHBondContact O-N 3.46Å; E483-A486 PolarHBondContact O-N 3.45Å; E483-L487 VanDerWaalsContact O-CB 3.23Å; E483-L487 WeakPolarHBondContact O-CB 3.29Å; E483-L487 PolarHBondContact O-N 3.42Å; E483-L698 WeakPolarHBondContact OE2-CD2 3.42Å; E483-L702 HydrophobicContact CB-CD1 4.01Å; E483-L706 HydrophobicContact CG-CD1 4.14Å
484	Q	79.6	Confident	79.5	Confident	79 Å²	79	68.6 Å²	68.6	37%	0.369	34%	0.342	S	S	.	.	H	α-helix	trans	-66.3	-36.8	177.1	-161.3	168.8	-6.2	0	0	112.3	E480 N481 A482 A488 L702	E480-Q484 VanDerWaalsContact O-CB 3.24Å; E480-Q484 WeakPolarHBondContact O-CB 3.35Å; E480-Q484 PolarHBondContact O-N 2.89Å; N481-Q484 PolarHBondContact O-N 2.79Å; A482-Q484 VanDerWaalsContact C-N 3.31Å; A482-Q484 PolarHBondContact O-N 3.47Å; Q484-A488 WeakPolarHBondContact O-CB 3.23Å; Q484-A488 PolarHBondContact O-N 3.28Å; Q484-L702 HydrophobicContact CB-CD1 3.8Å; Q484-L702 HydrophobicContact CG-CD1 4.28Å
485	Q	77.3	Confident	79.7	Confident	112 Å²	112	71.6 Å²	71.6	52%	0.523	36%	0.355	S	S	.	.	H	α-helix	trans	-68.2	-43.9	172	-76.3	-177.7	-7.5	0	0	111.9	N481 A482 E483 L487 A488 A489	N481-Q485 WeakPolarHBondContact O-CG 3.21Å; N481-Q485 PolarHBondContact O-N 3.21Å; A482-Q485 PolarHBondContact O-N 3.22Å; E483-Q485 PolarHBondContact O-N 3.46Å; Q485-L487 VanDerWaalsContact C-N 3.27Å; Q485-L487 PolarHBondContact O-N 3.49Å; Q485-A488 WeakPolarHBondContact O-CB 3.36Å; Q485-A488 PolarHBondContact O-N 2.97Å; Q485-A488 VanDerWaalsContact O-N 3.14Å; Q485-A489 PolarHBondContact O-N 2.89Å
486	A	77.5	Confident	79.8	Confident	41 Å²	41	70.4 Å²	70.4	34%	0.339	35%	0.352	S	S	.	.	H	α-helix	trans	-58.8	-42.9	176.2	0	0	0	0	0	111.2	A482 E483 A489 K490	A482-A486 PolarHBondContact O-N 2.97Å; E483-A486 PolarHBondContact O-N 3.45Å; A486-A489 PolarHBondContact O-N 3.02Å; A486-K490 WeakPolarHBondContact O-CG 3.47Å; A486-K490 PolarHBondContact O-N 2.95Å
487	L	83.9	Confident	79.9	Confident	10 Å²	10	71.4 Å²	71.4	5%	0.052	36%	0.355	C	S	.	.	H	α-helix	trans	-62.9	-42.8	174.6	-165.6	165.4	0	0	0	111.5	E483 Q485 K490 R491 E699 L702	E483-L487 VanDerWaalsContact O-CB 3.23Å; E483-L487 WeakPolarHBondContact O-CB 3.29Å; E483-L487 PolarHBondContact O-N 3.42Å; Q485-L487 VanDerWaalsContact C-N 3.27Å; Q485-L487 PolarHBondContact O-N 3.49Å; L487-K490 PolarHBondContact O-N 3.22Å; L487-R491 HydrophobicContact CD2-CG 4.07Å; L487-R491 VanDerWaalsContact CD2-CZ 3.41Å; L487-R491 WeakPolarHBondContact O-CB 3.34Å; L487-R491 WeakPolarHBondContact O-CG 3.25Å; L487-R491 PolarHBondContact O-N 3.14Å; L487-E699 HydrophobicContact CD1-CB 4.4Å; L487-E699 HydrophobicContact CD1-CG 3.61Å; L487-E699 HydrophobicContact CD2-CG 4.27Å; L487-E699 HydrophobicContact CG-CG 4.13Å; L487-L702 HydrophobicContact CD1-CD1 4.16Å
488	A	79.9	Confident	79.9	Confident	53 Å²	53	68.2 Å²	68.2	44%	0.438	35%	0.346	S	S	.	.	H	α-helix	trans	-62.7	-42.6	175	0	0	0	0	0	112.5	Q484 Q485 R491 E492	Q484-A488 WeakPolarHBondContact O-CB 3.23Å; Q484-A488 PolarHBondContact O-N 3.28Å; Q485-A488 WeakPolarHBondContact O-CB 3.36Å; Q485-A488 PolarHBondContact O-N 2.97Å; Q485-A488 VanDerWaalsContact O-N 3.14Å; A488-R491 WeakPolarHBondContact O-CB 3.24Å; A488-R491 PolarHBondContact O-N 3.4Å; A488-E492 PolarHBondContact O-N 2.83Å
489	A	79.6	Confident	80.2	Confident	57 Å²	57	70.6 Å²	70.6	47%	0.471	36%	0.36	S	S	.	.	H	α-helix	trans	-64.2	-41	176.8	0	0	0	0	0	111.9	Q485 A486 E492 D493	Q485-A489 PolarHBondContact O-N 2.89Å; A486-A489 PolarHBondContact O-N 3.02Å; A489-E492 PolarHBondContact O-N 3.4Å; A489-D493 PolarHBondContact O-N 2.9Å
490	K	82.3	Confident	80.3	Confident	71 Å²	71	71.9 Å²	71.9	31%	0.309	37%	0.369	S	S	.	.	H	α-helix	trans	-68.2	-37	175.1	-73.2	-71.6	-177.5	169.2	0	112.7	A486 L487 E492 D493 L494 E694 L698	A486-K490 WeakPolarHBondContact O-CG 3.47Å; A486-K490 PolarHBondContact O-N 2.95Å; L487-K490 PolarHBondContact O-N 3.22Å; K490-E492 VanDerWaalsContact C-N 3.34Å; K490-D493 PolarHBondContact O-N 2.81Å; K490-L494 WeakPolarHBondContact O-CB 3.12Å; K490-L494 PolarHBondContact O-N 2.75Å; K490-E694 IonicContact NZ-OE2 3.34Å; K490-E694 PolarHBondContact NZ-OE2 3.39Å; K490-L698 HydrophobicContact CB-CD1 4.47Å; K490-L698 HydrophobicContact CG-CD1 3.96Å
491	R	82.9	Confident	80.3	Confident	130 Å²	130	71.8 Å²	71.8	49%	0.491	37%	0.369	S	S	.	.	H	α-helix	trans	-59.4	-43.9	169.7	-80.8	179.5	177.1	172.9	1.8	111.7	L487 A488 L494 E495 L695 E699	L487-R491 HydrophobicContact CD2-CG 4.07Å; L487-R491 VanDerWaalsContact CD2-CZ 3.41Å; L487-R491 WeakPolarHBondContact O-CB 3.34Å; L487-R491 WeakPolarHBondContact O-CG 3.25Å; L487-R491 PolarHBondContact O-N 3.14Å; A488-R491 WeakPolarHBondContact O-CB 3.24Å; A488-R491 PolarHBondContact O-N 3.4Å; R491-L494 PolarHBondContact O-N 3.08Å; R491-E495 WeakPolarHBondContact O-CB 3.21Å; R491-E495 PolarHBondContact O-N 2.98Å; R491-L695 HydrophobicContact CB-CD1 4.35Å; R491-L695 HydrophobicContact CG-CD1 3.61Å; R491-L695 HydrophobicContact CG-CD2 4.22Å; R491-L695 HydrophobicContact CG-CG 4.18Å; R491-E699 IonicContact CZ-OE1 3.37Å; R491-E699 IonicContact NE-OE1 2.63Å; R491-E699 PolarHBondContact NE-OE1 3.44Å; R491-E699 IonicContact NH2-OE1 2.95Å; R491-E699 PolarHBondContact NH2-OE1 2.89Å
492	E	82.4	Confident	80.3	Confident	103 Å²	103	74.5 Å²	74.5	48%	0.481	38%	0.376	S	S	.	.	H	α-helix	trans	-65.9	-40.2	177.7	-165	-169.1	153.3	0	0	111.9	A488 A489 K490 E495 K496	A488-E492 PolarHBondContact O-N 2.83Å; A489-E492 PolarHBondContact O-N 3.4Å; K490-E492 VanDerWaalsContact C-N 3.34Å; E492-E495 PolarHBondContact O-N 2.86Å; E492-K496 WeakPolarHBondContact O-CG 3.45Å; E492-K496 PolarHBondContact O-N 3.07Å; E492-K496 WeakPolarHBondContact OE1-CE 3.31Å; E492-K496 IonicContact OE1-NZ 3.65Å; E492-K496 PolarHBondContact OE1-NZ 2.85Å
493	D	79.7	Confident	80.4	Confident	57 Å²	57	76 Å²	76	31%	0.305	39%	0.388	S	S	.	.	H	α-helix	trans	-62.4	-43.4	174.4	-172.5	51.6	0	0	0	111.8	A489 K490 K496 K497	A489-D493 PolarHBondContact O-N 2.9Å; K490-D493 PolarHBondContact O-N 2.81Å; D493-K496 PolarHBondContact O-N 2.84Å; D493-K497 WeakPolarHBondContact O-CG 3.34Å; D493-K497 PolarHBondContact O-N 3.33Å; D493-K497 VanDerWaalsContact OD2-CE 3.31Å; D493-K497 WeakPolarHBondContact OD2-CE 3.36Å; D493-K497 IonicContact OD2-NZ 3.22Å; D493-K497 PolarHBondContact OD2-NZ 3.26Å
494	L	82.8	Confident	80.3	Confident	20 Å²	20	73.8 Å²	73.8	11%	0.105	38%	0.381	C	S	.	.	H	α-helix	trans	-60.4	-45.6	174.4	179.6	65.2	0	0	0	111.4	K490 R491 K496 K497 Q498 M688 A691 E692 L695	K490-L494 WeakPolarHBondContact O-CB 3.12Å; K490-L494 PolarHBondContact O-N 2.75Å; R491-L494 PolarHBondContact O-N 3.08Å; L494-K496 PolarHBondContact O-N 2.96Å; L494-K497 PolarHBondContact O-N 2.84Å; L494-Q498 HydrophobicContact CD1-CG 4.46Å; L494-Q498 WeakPolarHBondContact O-CB 3.38Å; L494-Q498 VanDerWaalsContact O-CG 3.32Å; L494-Q498 WeakPolarHBondContact O-CG 3.37Å; L494-Q498 PolarHBondContact O-N 3.28Å; L494-M688 HydrophobicContact CD1-CG 3.52Å; L494-A691 HydrophobicContact CD1-CB 4.02Å; L494-E692 HydrophobicContact CD1-CG 3.63Å; L494-E692 HydrophobicContact CD2-CG 3.79Å; L494-E692 HydrophobicContact CG-CG 4.38Å; L494-L695 HydrophobicContact CB-CD1 4.41Å; L494-L695 HydrophobicContact CD2-CD1 3.74Å
495	E	80.7	Confident	80.1	Confident	131 Å²	131	70.3 Å²	70.3	61%	0.612	37%	0.366	S	S	*	.	H	α-helix	trans	-63.2	-40.3	179.1	-170.5	174.1	-174.8	0	0	111.8	R491 E492 Q498 Q499	R491-E495 WeakPolarHBondContact O-CB 3.21Å; R491-E495 PolarHBondContact O-N 2.98Å; E492-E495 PolarHBondContact O-N 2.86Å; E495-Q498 PolarHBondContact O-N 2.7Å; E495-Q499 WeakPolarHBondContact O-CB 3.48Å; E495-Q499 PolarHBondContact O-N 2.81Å
496	K	81.9	Confident	80	Confident	104 Å²	104	67 Å²	67	45%	0.452	36%	0.362	S	S	.	.	H	α-helix	trans	-61.7	-47.3	173.8	-74.9	170.2	-175.3	161.3	0	111.7	E492 D493 L494 Q498 Q499 L500	E492-K496 WeakPolarHBondContact O-CG 3.45Å; E492-K496 PolarHBondContact O-N 3.07Å; E492-K496 WeakPolarHBondContact OE1-CE 3.31Å; E492-K496 IonicContact OE1-NZ 3.65Å; E492-K496 PolarHBondContact OE1-NZ 2.85Å; D493-K496 PolarHBondContact O-N 2.84Å; L494-K496 PolarHBondContact O-N 2.96Å; K496-Q498 VanDerWaalsContact C-N 3.35Å; K496-Q499 PolarHBondContact O-N 3.11Å; K496-L500 WeakPolarHBondContact O-CG 3.32Å; K496-L500 PolarHBondContact O-N 3.19Å
497	K	80.6	Confident	80.1	Confident	50 Å²	50	73.4 Å²	73.4	22%	0.217	38%	0.382	C	S	.	.	H	α-helix	trans	-62	-42.7	177.2	-74.1	171	175.4	164.2	0	111.5	D493 L494 Q499 L500 L501 D687 A691	D493-K497 WeakPolarHBondContact O-CG 3.34Å; D493-K497 PolarHBondContact O-N 3.33Å; D493-K497 VanDerWaalsContact OD2-CE 3.31Å; D493-K497 WeakPolarHBondContact OD2-CE 3.36Å; D493-K497 IonicContact OD2-NZ 3.22Å; D493-K497 PolarHBondContact OD2-NZ 3.26Å; L494-K497 PolarHBondContact O-N 2.84Å; K497-Q499 VanDerWaalsContact C-N 3.33Å; K497-Q499 PolarHBondContact O-N 3.34Å; K497-L500 PolarHBondContact O-N 2.68Å; K497-L501 PolarHBondContact O-N 3.48Å; K497-D687 HydrophobicContact CD-CB 4.4Å; K497-A691 HydrophobicContact CD-CB 4.46Å
498	Q	78.7	Confident	79.8	Confident	62 Å²	62	75.7 Å²	75.7	29%	0.29	40%	0.402	S	S	.	.	H	α-helix	trans	-60.3	-41.7	172.8	-77.2	178.2	1.1	0	0	111.8	L494 E495 K496 L501 R502 M688	L494-Q498 HydrophobicContact CD1-CG 4.46Å; L494-Q498 WeakPolarHBondContact O-CB 3.38Å; L494-Q498 VanDerWaalsContact O-CG 3.32Å; L494-Q498 WeakPolarHBondContact O-CG 3.37Å; L494-Q498 PolarHBondContact O-N 3.28Å; E495-Q498 PolarHBondContact O-N 2.7Å; K496-Q498 VanDerWaalsContact C-N 3.35Å; Q498-L501 PolarHBondContact O-N 3.35Å; Q498-R502 WeakPolarHBondContact O-CB 3.48Å; Q498-R502 VanDerWaalsContact O-CG 3.24Å; Q498-R502 WeakPolarHBondContact O-CG 3.36Å; Q498-R502 PolarHBondContact O-N 2.92Å; Q498-M688 HydrophobicContact CG-CG 4.03Å; Q498-M688 HydrophobicContact CG-SD 3.5Å; Q498-M688 WeakPolarHBondContact CG-SD 3.36Å
499	Q	80.7	Confident	79.9	Confident	136 Å²	136	74.5 Å²	74.5	64%	0.636	39%	0.388	S	S	*	.	H	α-helix	trans	-67.2	-37.5	178.7	-167.1	176.8	19.6	0	0	112.3	E495 K496 K497 R502 A503	E495-Q499 WeakPolarHBondContact O-CB 3.48Å; E495-Q499 PolarHBondContact O-N 2.81Å; K496-Q499 PolarHBondContact O-N 3.11Å; K497-Q499 VanDerWaalsContact C-N 3.33Å; K497-Q499 PolarHBondContact O-N 3.34Å; Q499-R502 PolarHBondContact O-N 3.48Å; Q499-A503 WeakPolarHBondContact O-CB 3.36Å; Q499-A503 PolarHBondContact O-N 3.48Å
500	L	80.7	Confident	79.9	Confident	103 Å²	103	73 Å²	73	54%	0.539	37%	0.372	S	S	.	.	H	α-helix	trans	-65.3	-43.9	173.5	-70.6	174.6	0	0	0	111.7	K496 K497 R502 A503 A504 L684	K496-L500 WeakPolarHBondContact O-CG 3.32Å; K496-L500 PolarHBondContact O-N 3.19Å; K497-L500 PolarHBondContact O-N 2.68Å; L500-R502 VanDerWaalsContact C-N 3.31Å; L500-R502 PolarHBondContact O-N 2.87Å; L500-A503 PolarHBondContact O-N 2.91Å; L500-A503 VanDerWaalsContact O-N 3.15Å; L500-A504 PolarHBondContact O-N 3.28Å; L500-L684 HydrophobicContact CB-CD2 4.41Å
501	L	79.4	Confident	79.9	Confident	19 Å²	19	73 Å²	73	10%	0.099	38%	0.375	C	S	.	.	H	α-helix	trans	-62.9	-39.6	174.7	-173.6	142.8	0	0	0	111.3	K497 Q498 A504 T505 M541 L684 Q685	K497-L501 PolarHBondContact O-N 3.48Å; Q498-L501 PolarHBondContact O-N 3.35Å; L501-A504 PolarHBondContact O-N 3.31Å; L501-T505 WeakPolarHBondContact O-CB 3.27Å; L501-T505 PolarHBondContact O-N 2.76Å; L501-T505 PolarHBondContact O-OG1 2.98Å; L501-M541 HydrophobicContact CD1-CE 4.34Å; L501-L684 HydrophobicContact CB-CB 4.34Å; L501-L684 HydrophobicContact CD1-CB 4.08Å; L501-Q685 HydrophobicContact CD1-CB 4.03Å
502	R	78.7	Confident	80	Confident	103 Å²	103	66.8 Å²	66.8	39%	0.389	35%	0.352	S	S	.	.	H	α-helix	trans	-61.5	-45.9	171.2	-73.6	173.4	179.1	-103.2	-5.2	110.9	Q498 Q499 L500 A504 T505 L510 D514	Q498-R502 WeakPolarHBondContact O-CB 3.48Å; Q498-R502 VanDerWaalsContact O-CG 3.24Å; Q498-R502 WeakPolarHBondContact O-CG 3.36Å; Q498-R502 PolarHBondContact O-N 2.92Å; Q499-R502 PolarHBondContact O-N 3.48Å; L500-R502 VanDerWaalsContact C-N 3.31Å; L500-R502 PolarHBondContact O-N 2.87Å; R502-A504 VanDerWaalsContact C-N 3.28Å; R502-A504 PolarHBondContact O-N 2.74Å; R502-T505 CarbonylContact O-C 3.44Å; R502-T505 PolarHBondContact O-N 3.43Å; R502-L510 HydrophobicContact CB-CD1 3.74Å; R502-L510 HydrophobicContact CB-CD2 4.24Å; R502-L510 HydrophobicContact CG-CD1 4.08Å; R502-L510 HydrophobicContact CG-CD2 3.83Å; R502-L510 VanDerWaalsContact O-CD1 3.26Å; R502-L510 WeakPolarHBondContact O-CD1 3.39Å; R502-D514 IonicContact CZ-OD1 2.67Å; R502-D514 IonicContact CZ-OD2 3.85Å; R502-D514 IonicContact NH1-OD1 3.62Å; R502-D514 PolarHBondContact NH1-OD1 3.02Å; R502-D514 IonicContact NH1-OD2 3.88Å; R502-D514 PolarHBondContact NH1-OD2 3.46Å; R502-D514 IonicContact NH2-OD1 2.78Å; R502-D514 PolarHBondContact NH2-OD1 2.67Å; R502-D514 IonicContact NH2-OD2 3.74Å
503	A	79.7	Confident	80	Confident	87 Å²	87	63.5 Å²	63.5	72%	0.719	34%	0.337	S	S	*	.	H	α-helix	trans	-62.5	-34	177.4	0	0	0	0	0	113.1	Q499 L500 T505	Q499-A503 WeakPolarHBondContact O-CB 3.36Å; Q499-A503 PolarHBondContact O-N 3.48Å; L500-A503 PolarHBondContact O-N 2.91Å; L500-A503 VanDerWaalsContact O-N 3.15Å; A503-T505 VanDerWaalsContact C-N 3.3Å
504	A	76.6	Confident	80.2	Confident	21 Å²	21	62.8 Å²	62.8	17%	0.174	33%	0.334	C	S	.	.	H	α-helix	trans	-76.2	-16.7	175.1	0	0	0	0	0	113.6	L500 L501 R502 R681 L684	L500-A504 PolarHBondContact O-N 3.28Å; L501-A504 PolarHBondContact O-N 3.31Å; R502-A504 VanDerWaalsContact C-N 3.28Å; R502-A504 PolarHBondContact O-N 2.74Å; A504-R681 HydrophobicContact CB-CG 4.27Å; A504-R681 PolarHBondContact O-NE 3.05Å; A504-R681 PolarHBondContact O-NH2 2.94Å; A504-L684 HydrophobicContact CB-CD1 4.31Å
505	T	76.3	Confident	80.4	Confident	7 Å²	7	62 Å²	62	4%	0.043	33%	0.329	C	S	.	.	S	Bend	trans	-98.9	133	-179.8	-53.7	0	0	0	0	110.2	L501 R502 A503 I509 L510 F563	L501-T505 WeakPolarHBondContact O-CB 3.27Å; L501-T505 PolarHBondContact O-N 2.76Å; L501-T505 PolarHBondContact O-OG1 2.98Å; R502-T505 CarbonylContact O-C 3.44Å; R502-T505 PolarHBondContact O-N 3.43Å; A503-T505 VanDerWaalsContact C-N 3.3Å; T505-I509 HydrophobicContact CG2-CB 4.02Å; T505-I509 HydrophobicContact CG2-CG2 3.9Å; T505-L510 HydrophobicContact CG2-CD2 3.72Å; T505-L510 HydrophobicContact CG2-CG 3.79Å; T505-F563 HydrophobicContact CG2-CE1 3.89Å; T505-F563 HydrophobicContact CG2-CE2 4.34Å; T505-F563 HydrophobicContact CG2-CZ 3.65Å
506	G	75.8	Confident	80.8	Confident	42 Å²	42	55.7 Å²	55.7	43%	0.433	30%	0.3	S	S	.	.			trans	-59.6	142.4	178.9	0	0	0	0	0	112.4	A508 I509 L510	G506-A508 PolarHBondContact O-N 3.03Å; G506-A508 VanDerWaalsContact O-N 3.13Å; G506-I509 PolarHBondContact O-N 3.35Å; G506-I509 VanDerWaalsContact O-N 3.09Å; G506-L510 PolarHBondContact O-N 3.24Å; G506-L510 VanDerWaalsContact O-N 3.15Å
507	K	78.9	Confident	81	Confident	175 Å²	175	54.3 Å²	54.3	76%	0.761	30%	0.298	S	S	*	.	H	α-helix	trans	-54.2	-35.1	-177.3	-68.3	-176.4	178.8	179.8	0	113.8	N511	K507-N511 WeakPolarHBondContact O-CB 3.4Å; K507-N511 PolarHBondContact O-N 3.23Å; K507-N511 PolarHBondContact O-ND2 3.39Å
508	A	78.6	Confident	81.3	Confident	58 Å²	58	57.2 Å²	57.2	48%	0.479	31%	0.31	S	S	.	.	H	α-helix	trans	-64.2	-42	179.3	0	0	0	0	0	112.8	G506 G512 G587	G506-A508 PolarHBondContact O-N 3.03Å; G506-A508 VanDerWaalsContact O-N 3.13Å; A508-G512 PolarHBondContact O-N 2.91Å; A508-G512 VanDerWaalsContact O-N 3.16Å; A508-G587 WeakPolarHBondContact O-CA 3.4Å
509	I	81.1	Confident	81.6	Confident	29 Å²	29	54.3 Å²	54.3	15%	0.149	30%	0.297	C	S	.	.	H	α-helix	trans	-72.5	-42.2	179.7	-59.6	-61.7	0	0	0	110.6	T505 G506 N511 G512 I513 F563	T505-I509 HydrophobicContact CG2-CB 4.02Å; T505-I509 HydrophobicContact CG2-CG2 3.9Å; G506-I509 PolarHBondContact O-N 3.35Å; G506-I509 VanDerWaalsContact O-N 3.09Å; I509-N511 PolarHBondContact O-N 3.37Å; I509-G512 WeakPolarHBondContact O-CA 3.18Å; I509-G512 PolarHBondContact O-N 3.37Å; I509-G512 VanDerWaalsContact O-N 3.1Å; I509-I513 HydrophobicContact CG2-CD1 3.99Å; I509-I513 HydrophobicContact CG2-CG1 4.49Å; I509-I513 WeakPolarHBondContact O-CG1 3.32Å; I509-I513 PolarHBondContact O-N 3.01Å; I509-F563 HydrophobicContact CG2-CB 3.81Å; I509-F563 HydrophobicContact CG2-CD1 3.79Å; I509-F563 HydrophobicContact CG2-CD2 3.8Å; I509-F563 HydrophobicContact CG2-CE1 4.25Å; I509-F563 HydrophobicContact CG2-CE2 4.26Å; I509-F563 HydrophobicContact CG2-CG 3.51Å; I509-F563 HydrophobicContact CG2-CZ 4.45Å
510	L	79.4	Confident	81.9	Confident	25 Å²	25	48 Å²	48	13%	0.131	27%	0.267	C	S	.	.	H	α-helix	trans	-60.6	-46.8	176.8	-74.2	-178.9	0	0	0	113.1	R502 T505 G506 G512 I513 D514	R502-L510 HydrophobicContact CB-CD1 3.74Å; R502-L510 HydrophobicContact CB-CD2 4.24Å; R502-L510 HydrophobicContact CG-CD1 4.08Å; R502-L510 HydrophobicContact CG-CD2 3.83Å; R502-L510 VanDerWaalsContact O-CD1 3.26Å; R502-L510 WeakPolarHBondContact O-CD1 3.39Å; T505-L510 HydrophobicContact CG2-CD2 3.72Å; T505-L510 HydrophobicContact CG2-CG 3.79Å; G506-L510 PolarHBondContact O-N 3.24Å; G506-L510 VanDerWaalsContact O-N 3.15Å; L510-G512 PolarHBondContact O-N 3.44Å; L510-I513 PolarHBondContact O-N 2.87Å; L510-D514 PolarHBondContact O-N 3.47Å
511	N	83.1	Confident	82.1	Confident	70 Å²	70	49 Å²	49	37%	0.374	27%	0.269	S	S	.	.	H	α-helix	trans	-60.4	-37	176	-68.1	-15.2	0	0	0	110.2	K507 I509 S515 P586	K507-N511 WeakPolarHBondContact O-CB 3.4Å; K507-N511 PolarHBondContact O-N 3.23Å; K507-N511 PolarHBondContact O-ND2 3.39Å; I509-N511 PolarHBondContact O-N 3.37Å; N511-S515 WeakPolarHBondContact O-CB 3.46Å; N511-S515 PolarHBondContact O-N 3.33Å; N511-S515 PolarHBondContact O-OG 2.9Å; N511-P586 CarbonylContact C-O 3.6Å; N511-P586 HydrophobicContact CB-CB 4.36Å; N511-P586 HydrophobicContact CB-CG 4.38Å; N511-P586 WeakPolarHBondContact CB-O 3.44Å
512	G	83.6	Confident	82.3	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.9	-48.4	173.8	0	0	0	0	0	113.1	A508 I509 L510 S515 I516	A508-G512 PolarHBondContact O-N 2.91Å; A508-G512 VanDerWaalsContact O-N 3.16Å; I509-G512 WeakPolarHBondContact O-CA 3.18Å; I509-G512 PolarHBondContact O-N 3.37Å; I509-G512 VanDerWaalsContact O-N 3.1Å; L510-G512 PolarHBondContact O-N 3.44Å; G512-S515 PolarHBondContact O-N 3.05Å; G512-I516 PolarHBondContact O-N 3.27Å
513	I	82.9	Confident	82.6	Confident	34 Å²	34	46 Å²	46	17%	0.174	26%	0.259	C	S	.	.	H	α-helix	trans	-63.8	-48.9	178.8	-64.6	166.4	0	0	0	111.1	I509 L510 S515 I516 N517 F563	I509-I513 HydrophobicContact CG2-CD1 3.99Å; I509-I513 HydrophobicContact CG2-CG1 4.49Å; I509-I513 WeakPolarHBondContact O-CG1 3.32Å; I509-I513 PolarHBondContact O-N 3.01Å; L510-I513 PolarHBondContact O-N 2.87Å; I513-S515 PolarHBondContact O-N 3.47Å; I513-I516 PolarHBondContact O-N 2.88Å; I513-N517 PolarHBondContact O-N 3.14Å; I513-N517 PolarHBondContact O-ND2 2.88Å; I513-F563 HydrophobicContact CD1-CD1 3.94Å; I513-F563 HydrophobicContact CD1-CE1 4.43Å
514	D	84.5	Confident	82.8	Confident	43 Å²	43	49.8 Å²	49.8	23%	0.23	25%	0.254	C	S	.	.	H	α-helix	trans	-62.4	-35.8	178.8	-76.9	-20.7	0	0	0	111	R502 L510 N517 K518	R502-D514 IonicContact CZ-OD1 2.67Å; R502-D514 IonicContact CZ-OD2 3.85Å; R502-D514 IonicContact NH1-OD1 3.62Å; R502-D514 PolarHBondContact NH1-OD1 3.02Å; R502-D514 IonicContact NH1-OD2 3.88Å; R502-D514 PolarHBondContact NH1-OD2 3.46Å; R502-D514 IonicContact NH2-OD1 2.78Å; R502-D514 PolarHBondContact NH2-OD1 2.67Å; R502-D514 IonicContact NH2-OD2 3.74Å; L510-D514 PolarHBondContact O-N 3.47Å; D514-N517 PolarHBondContact O-N 2.9Å; D514-K518 WeakPolarHBondContact O-CG 3.39Å; D514-K518 PolarHBondContact O-N 2.99Å
515	S	87.3	Confident	83.2	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.014	29%	0.288	C	S	.	.	H	α-helix	trans	-70.7	-39.8	176.8	-67	0	0	0	0	112.7	N511 G512 I513 N517 K518 V519 L585 P586	N511-S515 WeakPolarHBondContact O-CB 3.46Å; N511-S515 PolarHBondContact O-N 3.33Å; N511-S515 PolarHBondContact O-OG 2.9Å; G512-S515 PolarHBondContact O-N 3.05Å; I513-S515 PolarHBondContact O-N 3.47Å; S515-N517 VanDerWaalsContact C-N 3.33Å; S515-K518 PolarHBondContact O-N 3.08Å; S515-V519 WeakPolarHBondContact O-CG2 3.32Å; S515-V519 PolarHBondContact O-N 3.28Å; S515-V519 VanDerWaalsContact O-N 3.08Å; S515-L585 WeakPolarHBondContact O-CD1 3.34Å; S515-L585 WeakPolarHBondContact OG-CB 3.5Å; S515-P586 PolarHBondContact OG-O 2.95Å
516	I	87.9	Confident	83.2	Confident	0 Å²	0	65 Å²	65	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-61.3	-43.3	170.7	-101.7	172.8	0	0	0	111.2	G512 I513 K518 V519 L520 Y536 H565 I576 V589 F591	G512-I516 PolarHBondContact O-N 3.27Å; I513-I516 PolarHBondContact O-N 2.88Å; I516-K518 VanDerWaalsContact C-N 3.3Å; I516-K518 PolarHBondContact O-N 3.13Å; I516-V519 PolarHBondContact O-N 3.32Å; I516-V519 VanDerWaalsContact O-N 3.13Å; I516-L520 HydrophobicContact CG2-CD1 3.8Å; I516-L520 WeakPolarHBondContact O-CG 3.3Å; I516-L520 PolarHBondContact O-N 2.89Å; I516-Y536 HydrophobicContact CG2-CE2 4.31Å; I516-H565 WeakPolarHBondContact CD1-NE2 3.41Å; I516-I576 HydrophobicContact CD1-CG2 4.38Å; I516-I576 HydrophobicContact CG1-CG2 3.79Å; I516-V589 HydrophobicContact CD1-CB 3.77Å; I516-V589 HydrophobicContact CD1-CG1 3.52Å; I516-V589 HydrophobicContact CD1-CG2 4.37Å; I516-V589 HydrophobicContact CG1-CG1 3.95Å; I516-F591 HydrophobicContact CD1-CE1 3.81Å; I516-F591 HydrophobicContact CD1-CZ 3.62Å; I516-F591 HydrophobicContact CG1-CZ 4.4Å
517	N	86.8	Confident	83.2	Confident	75 Å²	75	65.1 Å²	65.1	40%	0.401	31%	0.311	S	S	.	.	H	α-helix	trans	-61.9	-40.3	179.4	-74.1	-25.2	0	0	0	111.2	I513 D514 S515 V519 L520 E521	I513-N517 PolarHBondContact O-N 3.14Å; I513-N517 PolarHBondContact O-ND2 2.88Å; D514-N517 PolarHBondContact O-N 2.9Å; S515-N517 VanDerWaalsContact C-N 3.33Å; N517-V519 PolarHBondContact O-N 3.36Å; N517-L520 PolarHBondContact O-N 3.16Å; N517-E521 VanDerWaalsContact O-CB 3.29Å; N517-E521 WeakPolarHBondContact O-CB 3.37Å; N517-E521 PolarHBondContact O-N 2.89Å
518	K	85.9	Confident	83	Confident	111 Å²	111	61.3 Å²	61.3	48%	0.483	30%	0.298	S	S	.	.	H	α-helix	trans	-62.6	-40	173.3	-72.6	169.3	-175.4	172.8	0	112.9	D514 S515 I516 E521 H522 L585	D514-K518 WeakPolarHBondContact O-CG 3.39Å; D514-K518 PolarHBondContact O-N 2.99Å; S515-K518 PolarHBondContact O-N 3.08Å; I516-K518 VanDerWaalsContact C-N 3.3Å; I516-K518 PolarHBondContact O-N 3.13Å; K518-E521 PolarHBondContact O-N 3.45Å; K518-H522 WeakPolarHBondContact O-CB 3.43Å; K518-H522 PolarHBondContact O-N 3.48Å; K518-L585 HydrophobicContact CB-CD1 4.5Å; K518-L585 HydrophobicContact CD-CD2 4.45Å
519	V	86.4	Confident	82.6	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-66.7	-43.6	176.7	172	0	0	0	0	110.8	S515 I516 N517 H522 F523 I576 E579 F580 M583 L585	S515-V519 WeakPolarHBondContact O-CG2 3.32Å; S515-V519 PolarHBondContact O-N 3.28Å; S515-V519 VanDerWaalsContact O-N 3.08Å; I516-V519 PolarHBondContact O-N 3.32Å; I516-V519 VanDerWaalsContact O-N 3.13Å; N517-V519 PolarHBondContact O-N 3.36Å; V519-H522 WeakPolarHBondContact O-CB 3.38Å; V519-H522 PolarHBondContact O-N 2.93Å; V519-F523 HydrophobicContact CG1-CD2 4.08Å; V519-F523 HydrophobicContact CG1-CE2 3.45Å; V519-F523 VanDerWaalsContact CG1-CE2 3.45Å; V519-F523 HydrophobicContact CG1-CZ 3.84Å; V519-F523 WeakPolarHBondContact O-CD2 3.5Å; V519-F523 WeakPolarHBondContact O-CG 3.42Å; V519-F523 PolarHBondContact O-N 3.36Å; V519-I576 HydrophobicContact CG1-CB 4.5Å; V519-I576 HydrophobicContact CG1-CG2 4.11Å; V519-E579 HydrophobicContact CG1-CB 3.86Å; V519-E579 HydrophobicContact CG2-CB 4.47Å; V519-F580 HydrophobicContact CG2-CB 4.26Å; V519-M583 HydrophobicContact CG2-SD 4.43Å; V519-L585 HydrophobicContact CG2-CD1 3.67Å
520	L	85.4	Confident	82.5	Confident	4 Å²	4	65.5 Å²	65.5	2%	0.021	31%	0.308	C	S	.	.	H	α-helix	trans	-64.5	-40.1	175.6	-70.7	168.5	0	0	0	111.8	I516 N517 H522 F523 R524 Y536 I576	I516-L520 HydrophobicContact CG2-CD1 3.8Å; I516-L520 WeakPolarHBondContact O-CG 3.3Å; I516-L520 PolarHBondContact O-N 2.89Å; N517-L520 PolarHBondContact O-N 3.16Å; L520-H522 VanDerWaalsContact C-N 3.34Å; L520-F523 PolarHBondContact O-N 2.98Å; L520-R524 WeakPolarHBondContact O-CG 3.41Å; L520-R524 PolarHBondContact O-N 2.79Å; L520-Y536 HydrophobicContact CD1-CD1 3.77Å; L520-Y536 HydrophobicContact CD1-CD2 4.49Å; L520-Y536 HydrophobicContact CD1-CE1 3.58Å; L520-Y536 HydrophobicContact CD1-CE2 4.34Å; L520-Y536 HydrophobicContact CD1-CG 4.22Å; L520-Y536 HydrophobicContact CD2-CD1 4.5Å; L520-Y536 HydrophobicContact CD2-CG 4.36Å; L520-I576 HydrophobicContact CD2-CD1 4.31Å
521	E	85.7	Confident	82.6	Confident	123 Å²	123	69 Å²	69	58%	0.575	32%	0.324	S	S	*	.	H	α-helix	trans	-65.1	-38.3	174.6	-167.5	-178.3	179.3	0	0	111.4	N517 K518 F523 R524 R525	N517-E521 VanDerWaalsContact O-CB 3.29Å; N517-E521 WeakPolarHBondContact O-CB 3.37Å; N517-E521 PolarHBondContact O-N 2.89Å; K518-E521 PolarHBondContact O-N 3.45Å; E521-F523 VanDerWaalsContact C-N 3.33Å; E521-F523 PolarHBondContact O-N 3.19Å; E521-R524 PolarHBondContact O-N 2.97Å; E521-R525 VanDerWaalsContact O-CB 3.32Å; E521-R525 WeakPolarHBondContact O-CB 3.48Å; E521-R525 PolarHBondContact O-N 3.41Å
522	H	84.3	Confident	82.5	Confident	53 Å²	53	65.7 Å²	65.7	25%	0.245	31%	0.306	C	S	.	.	H	α-helix	trans	-59.3	-43.9	172.5	-173.3	81.7	0	0	0	112	K518 V519 L520 K526 M583	K518-H522 WeakPolarHBondContact O-CB 3.43Å; K518-H522 PolarHBondContact O-N 3.48Å; V519-H522 WeakPolarHBondContact O-CB 3.38Å; V519-H522 PolarHBondContact O-N 2.93Å; L520-H522 VanDerWaalsContact C-N 3.34Å; H522-K526 WeakPolarHBondContact CE1-CE 3.47Å; H522-K526 PolarHBondContact CE1-NZ 3.5Å; H522-K526 WeakPolarHBondContact NE2-CD 3.48Å; H522-K526 VanDerWaalsContact NE2-CE 3.35Å; H522-K526 WeakPolarHBondContact NE2-CE 3.49Å; H522-K526 PolarHBondContact NE2-NZ 3.06Å; H522-K526 PolarHBondContact O-N 2.87Å; H522-K526 VanDerWaalsContact O-N 3.12Å; H522-M583 HydrophobicContact CB-CE 3.88Å; H522-M583 VanDerWaalsContact CG-CE 3.43Å
523	F	85.1	Confident	82.4	Confident	8 Å²	8	67.7 Å²	67.7	4%	0.035	32%	0.316	C	S	.	.	H	α-helix	trans	-64.6	-43.2	175.3	-65	-39.8	0	0	0	112.1	V519 L520 E521 G527 I528 V532 I533 K575 I576 E579	V519-F523 HydrophobicContact CG1-CD2 4.08Å; V519-F523 HydrophobicContact CG1-CE2 3.45Å; V519-F523 VanDerWaalsContact CG1-CE2 3.45Å; V519-F523 HydrophobicContact CG1-CZ 3.84Å; V519-F523 WeakPolarHBondContact O-CD2 3.5Å; V519-F523 WeakPolarHBondContact O-CG 3.42Å; V519-F523 PolarHBondContact O-N 3.36Å; L520-F523 PolarHBondContact O-N 2.98Å; E521-F523 VanDerWaalsContact C-N 3.33Å; E521-F523 PolarHBondContact O-N 3.19Å; F523-G527 PolarHBondContact O-N 3.41Å; F523-I528 PolarHBondContact O-N 3.36Å; F523-V532 HydrophobicContact CD2-CG1 4.07Å; F523-V532 HydrophobicContact CE2-CG1 3.96Å; F523-I533 HydrophobicContact CB-CD1 4Å; F523-I533 HydrophobicContact CB-CG1 4.18Å; F523-K575 HydrophobicContact CZ-CG 4.09Å; F523-I576 HydrophobicContact CE2-CG1 4.12Å; F523-E579 HydrophobicContact CE1-CB 4.43Å; F523-E579 HydrophobicContact CE1-CG 3.6Å; F523-E579 HydrophobicContact CZ-CB 4.02Å; F523-E579 HydrophobicContact CZ-CG 3.55Å
524	R	84.1	Confident	82.5	Confident	165 Å²	165	72 Å²	72	62%	0.623	34%	0.34	S	S	*	.	H	α-helix	trans	-60.6	-47.8	175.6	-73.5	179.6	-154.8	167.9	6.6	111.9	L520 E521 K526 G527 I533	L520-R524 WeakPolarHBondContact O-CG 3.41Å; L520-R524 PolarHBondContact O-N 2.79Å; E521-R524 PolarHBondContact O-N 2.97Å; R524-K526 PolarHBondContact O-N 2.85Å; R524-G527 PolarHBondContact O-N 2.91Å; R524-I533 HydrophobicContact CB-CD1 4.42Å; R524-I533 HydrophobicContact CG-CD1 3.67Å; R524-I533 HydrophobicContact CG-CG1 4.39Å
525	R	83.4	Confident	82.4	Confident	230 Å²	230	70 Å²	70	87%	0.868	33%	0.329	S	S	*	.	H	α-helix	trans	-67.4	-33.3	-175.6	-170.9	174.1	174.9	-172.7	-0.7	113.1	E521	E521-R525 VanDerWaalsContact O-CB 3.32Å; E521-R525 WeakPolarHBondContact O-CB 3.48Å; E521-R525 PolarHBondContact O-N 3.41Å
526	K	77.8	Confident	82.5	Confident	119 Å²	119	71.8 Å²	71.8	52%	0.517	34%	0.336	S	S	.	.	H	α-helix	trans	-84.9	-13.8	174.7	-77.2	-173	174.9	170.7	0	113.7	H522 R524 I528	H522-K526 WeakPolarHBondContact CE1-CE 3.47Å; H522-K526 PolarHBondContact CE1-NZ 3.5Å; H522-K526 WeakPolarHBondContact NE2-CD 3.48Å; H522-K526 VanDerWaalsContact NE2-CE 3.35Å; H522-K526 WeakPolarHBondContact NE2-CE 3.49Å; H522-K526 PolarHBondContact NE2-NZ 3.06Å; H522-K526 PolarHBondContact O-N 2.87Å; H522-K526 VanDerWaalsContact O-N 3.12Å; R524-K526 PolarHBondContact O-N 2.85Å; K526-I528 HydrophobicContact CB-CD1 4.04Å; K526-I528 HydrophobicContact CB-CG1 4.16Å; K526-I528 HydrophobicContact CD-CD1 4.33Å; K526-I528 PolarHBondContact O-N 3.36Å
527	G	75.4	Confident	82.5	Confident	44 Å²	44	74.8 Å²	74.8	45%	0.454	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	18.7	-176.9	0	0	0	0	0	114.4	F523 R524	F523-G527 PolarHBondContact O-N 3.41Å; R524-G527 PolarHBondContact O-N 2.91Å
528	I	74.7	Confident	82.5	Confident	95 Å²	95	71.9 Å²	71.9	49%	0.487	34%	0.337	S	S	.	.			trans	-102.8	145.8	-177.6	-57.5	168.4	0	0	0	108.8	F523 K526	F523-I528 PolarHBondContact O-N 3.36Å; K526-I528 HydrophobicContact CB-CD1 4.04Å; K526-I528 HydrophobicContact CB-CG1 4.16Å; K526-I528 HydrophobicContact CD-CD1 4.33Å; K526-I528 PolarHBondContact O-N 3.36Å
529	N	69.4	Low	82.7	Confident	43 Å²	43	67.3 Å²	67.3	23%	0.23	32%	0.318	C	S	.	.			trans	58.8	51	177.7	-59.7	-29.1	0	0	0	114.2	H531 V532 K575	N529-H531 PolarHBondContact O-N 3.26Å; N529-H531 VanDerWaalsContact O-N 3.16Å; N529-H531 PolarHBondContact OD1-CE1 3.13Å; N529-V532 HydrophobicContact CB-CB 4.22Å; N529-V532 HydrophobicContact CB-CG2 3.8Å; N529-V532 WeakPolarHBondContact O-CB 3.26Å; N529-V532 PolarHBondContact O-N 3.08Å; N529-K575 WeakPolarHBondContact ND2-CE 3.22Å
530	Q	78.8	Confident	82.8	Confident	131 Å²	131	67.4 Å²	67.4	61%	0.612	32%	0.318	S	S	*	.	H	α-helix	trans	-57.7	-28.1	175.5	-66.3	-176	-1.3	0	0	113.3	V532 I533 N534	Q530-V532 VanDerWaalsContact C-N 3.27Å; Q530-V532 PolarHBondContact O-N 3.39Å; Q530-I533 PolarHBondContact O-N 2.87Å; Q530-N534 PolarHBondContact O-N 2.9Å
531	H	81.3	Confident	82.9	Confident	100 Å²	100	67.6 Å²	67.6	46%	0.463	32%	0.319	S	S	.	.	H	α-helix	trans	-61.7	-31.4	172.9	64.7	-88.2	0	0	0	112.9	N529 G535	N529-H531 PolarHBondContact O-N 3.26Å; N529-H531 VanDerWaalsContact O-N 3.16Å; N529-H531 PolarHBondContact OD1-CE1 3.13Å; H531-G535 PolarHBondContact O-N 3.49Å
532	V	81.9	Confident	82.9	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-71.2	-36	175.8	176.2	0	0	0	0	111.1	F523 N529 Q530 Y536 V572 K575 I576	F523-V532 HydrophobicContact CD2-CG1 4.07Å; F523-V532 HydrophobicContact CE2-CG1 3.96Å; N529-V532 HydrophobicContact CB-CB 4.22Å; N529-V532 HydrophobicContact CB-CG2 3.8Å; N529-V532 WeakPolarHBondContact O-CB 3.26Å; N529-V532 PolarHBondContact O-N 3.08Å; Q530-V532 VanDerWaalsContact C-N 3.27Å; Q530-V532 PolarHBondContact O-N 3.39Å; V532-Y536 WeakPolarHBondContact O-CB 3.42Å; V532-Y536 PolarHBondContact O-N 3.36Å; V532-V572 HydrophobicContact CB-CG1 4.48Å; V532-V572 HydrophobicContact CG1-CG1 3.88Å; V532-K575 HydrophobicContact CG2-CB 4.17Å; V532-K575 HydrophobicContact CG2-CG 4.35Å; V532-I576 HydrophobicContact CG1-CD1 4.06Å; V532-I576 HydrophobicContact CG1-CG1 3.8Å
533	I	81.8	Confident	83	Confident	41 Å²	41	64.5 Å²	64.5	21%	0.21	31%	0.309	C	S	.	.	H	α-helix	trans	-71.9	-44.5	178.3	-62.4	162.3	0	0	0	110.2	F523 R524 Q530	F523-I533 HydrophobicContact CB-CD1 4Å; F523-I533 HydrophobicContact CB-CG1 4.18Å; R524-I533 HydrophobicContact CB-CD1 4.42Å; R524-I533 HydrophobicContact CG-CD1 3.67Å; R524-I533 HydrophobicContact CG-CG1 4.39Å; Q530-I533 PolarHBondContact O-N 2.87Å
534	N	83.8	Confident	83.2	Confident	125 Å²	125	64.8 Å²	64.8	67%	0.668	31%	0.31	S	S	*	.	H	α-helix	trans	-70.8	-34.5	178.8	-74.6	-2.2	0	0	0	112.7	Q530 Y536	Q530-N534 PolarHBondContact O-N 2.9Å; N534-Y536 VanDerWaalsContact C-N 3.27Å; N534-Y536 PolarHBondContact O-N 3.07Å
535	G	83.3	Confident	83.2	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	6.4	179.4	0	0	0	0	0	114.8	H531 V567 E568	H531-G535 PolarHBondContact O-N 3.49Å; G535-V567 CarbonylContact O-C 3.6Å; G535-V567 WeakPolarHBondContact O-CA 3.39Å; G535-E568 PolarHBondContact O-N 3.09Å
536	Y	89.7	Confident	83.4	Confident	40 Å²	40	50.9 Å²	50.9	16%	0.157	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	115.9	174.6	174.5	-90.9	0	0	0	110.2	I516 L520 V532 N534 H565 V567 I576	I516-Y536 HydrophobicContact CG2-CE2 4.31Å; L520-Y536 HydrophobicContact CD1-CD1 3.77Å; L520-Y536 HydrophobicContact CD1-CD2 4.49Å; L520-Y536 HydrophobicContact CD1-CE1 3.58Å; L520-Y536 HydrophobicContact CD1-CE2 4.34Å; L520-Y536 HydrophobicContact CD1-CG 4.22Å; L520-Y536 HydrophobicContact CD2-CD1 4.5Å; L520-Y536 HydrophobicContact CD2-CG 4.36Å; V532-Y536 WeakPolarHBondContact O-CB 3.42Å; V532-Y536 PolarHBondContact O-N 3.36Å; N534-Y536 VanDerWaalsContact C-N 3.27Å; N534-Y536 PolarHBondContact O-N 3.07Å; Y536-H565 HydrophobicContact CE2-CB 3.89Å; Y536-H565 AromaticContact CE2-CG 3.96Å; Y536-H565 AromaticContact CE2-ND1 3.47Å; Y536-H565 WeakPolarHBondContact CE2-ND1 3.42Å; Y536-H565 AromaticContact CZ-ND1 3.49Å; Y536-H565 PolarHBondContact OH-CE1 2.94Å; Y536-H565 VanDerWaalsContact OH-CE1 3.26Å; Y536-H565 PolarHBondContact OH-ND1 2.83Å; Y536-V567 HydrophobicContact CD2-CG1 3.93Å; Y536-I576 HydrophobicContact CD2-CD1 4.12Å
537	H	87.4	Confident	83.7	Confident	64 Å²	64	50.4 Å²	50.4	30%	0.296	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	8.6	-173.6	-57.7	-64.5	0	0	0	113.8	N543 I566 F623	H537-N543 PolarHBondContact O-ND2 3.44Å; H537-I566 HydrophobicContact CB-CB 4.18Å; H537-I566 HydrophobicContact CB-CG2 4.16Å; H537-I566 PolarHBondContact N-O 3.44Å; H537-F623 HydrophobicContact CB-CE1 4.26Å; H537-F623 HydrophobicContact CB-CZ 3.81Å; H537-F623 AromaticContact CD2-CE1 3.91Å; H537-F623 AromaticContact CG-CE1 3.97Å; H537-F623 AromaticContact CG-CZ 3.79Å
538	G	88	Confident	84	Confident	13 Å²	13	52 Å²	52	13%	0.134	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	82.3	-168.3	-179.7	0	0	0	0	0	113.8	H565 I566	G538-H565 CarbonylContact O-C 3.58Å; G538-H565 WeakPolarHBondContact O-CA 3.48Å; G538-I566 PolarHBondContact O-N 3.08Å
539	I	88.9	Confident	84.4	Confident	16 Å²	16	50.8 Å²	50.8	8%	0.082	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	156.7	-177.3	57.3	177.5	0	0	0	112.3	M541 N542 N543 F563 Y564 H565	I539-M541 HydrophobicContact CD1-CB 3.88Å; I539-M541 HydrophobicContact CD1-CE 3.84Å; I539-M541 HydrophobicContact CG1-CB 4.12Å; I539-M541 PolarHBondContact O-N 2.89Å; I539-N542 HydrophobicContact CG1-CB 4.3Å; I539-N542 PolarHBondContact O-N 3.39Å; I539-N542 VanDerWaalsContact O-N 3.16Å; I539-N543 PolarHBondContact O-ND2 3.37Å; I539-F563 HydrophobicContact CD1-CD1 4.37Å; I539-Y564 CarbonylContact C-O 3.58Å; I539-Y564 VanDerWaalsContact CA-O 3.25Å; I539-Y564 WeakPolarHBondContact CA-O 3.18Å; I539-H565 WeakPolarHBondContact CG2-CE1 3.11Å; I539-H565 WeakPolarHBondContact CG2-ND1 3.2Å
540	V	88.8	Confident	85.2	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.006	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-52.8	-44.1	175.4	172.2	0	0	0	0	110.9	N542 N543 F544 L562 Y564 I566 L592 F627 F631	V540-N542 PolarHBondContact O-N 3.27Å; V540-N543 PolarHBondContact O-N 3.36Å; V540-F544 HydrophobicContact CG1-CD1 4.06Å; V540-F544 HydrophobicContact CG1-CE1 4.07Å; V540-F544 VanDerWaalsContact O-CD1 3.25Å; V540-F544 WeakPolarHBondContact O-CD1 3.38Å; V540-L562 PolarHBondContact N-O 3Å; V540-Y564 WeakPolarHBondContact CG2-O 3.22Å; V540-Y564 PolarHBondContact N-O 3.06Å; V540-I566 HydrophobicContact CG2-CD1 4.19Å; V540-I566 HydrophobicContact CG2-CG1 4.08Å; V540-L592 HydrophobicContact CG2-CD1 3.62Å; V540-F627 HydrophobicContact CG1-CE1 3.74Å; V540-F627 HydrophobicContact CG1-CZ 4.1Å; V540-F631 HydrophobicContact CG1-CE2 4.13Å
541	M	86.7	Confident	85.5	Confident	8 Å²	8	44.1 Å²	44.1	4%	0.039	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-52.9	-30.8	-179.7	-163.3	176.4	68.3	0	0	114.8	L501 I539 L562 F563 R681 L682 Q685	L501-M541 HydrophobicContact CD1-CE 4.34Å; I539-M541 HydrophobicContact CD1-CB 3.88Å; I539-M541 HydrophobicContact CD1-CE 3.84Å; I539-M541 HydrophobicContact CG1-CB 4.12Å; I539-M541 PolarHBondContact O-N 2.89Å; M541-L562 HydrophobicContact CB-CB 4.49Å; M541-L562 WeakPolarHBondContact CB-O 3.32Å; M541-L562 PolarHBondContact N-O 3.5Å; M541-F563 HydrophobicContact CE-CE1 4.42Å; M541-F563 HydrophobicContact SD-CE1 4.35Å; M541-R681 HydrophobicContact SD-CB 4.38Å; M541-L682 HydrophobicContact CG-CD2 3.79Å; M541-Q685 HydrophobicContact CE-CB 4.08Å; M541-Q685 HydrophobicContact CE-CG 3.91Å; M541-Q685 HydrophobicContact CG-CG 4.33Å; M541-Q685 HydrophobicContact SD-CB 4.37Å
542	N	85.4	Confident	85.6	Confident	72 Å²	72	41.1 Å²	41.1	39%	0.385	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-86.6	-11.7	-180	-72.5	6.1	0	0	0	113.3	I539 V540 Q685	I539-N542 HydrophobicContact CG1-CB 4.3Å; I539-N542 PolarHBondContact O-N 3.39Å; I539-N542 VanDerWaalsContact O-N 3.16Å; V540-N542 PolarHBondContact O-N 3.27Å; N542-Q685 PolarHBondContact OD1-NE2 3.13Å
543	N	87.4	Confident	85.7	Confident	40 Å²	40	41.3 Å²	41.3	21%	0.214	23%	0.226	C	C	.	.	S	Bend	trans	-109.2	8	-167.8	-75.5	-64.4	0	0	0	113.9	H537 I539 V540 I566 F623 F627	H537-N543 PolarHBondContact O-ND2 3.44Å; I539-N543 PolarHBondContact O-ND2 3.37Å; V540-N543 PolarHBondContact O-N 3.36Å; N543-I566 HydrophobicContact CB-CD1 4.01Å; N543-F623 HydrophobicContact CB-CD2 4.24Å; N543-F623 HydrophobicContact CB-CE2 4.35Å; N543-F627 HydrophobicContact CB-CE2 4.34Å; N543-F627 HydrophobicContact CB-CZ 4.05Å; N543-F627 WeakPolarHBondContact O-CZ 3.46Å
544	F	89.6	Confident	85.9	Confident	14 Å²	14	39.4 Å²	39.4	6%	0.061	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	164.7	170.2	78.6	-80	0	0	0	113.1	V540 C546 V554 L562 L617 R618 F627 F631 L682	V540-F544 HydrophobicContact CG1-CD1 4.06Å; V540-F544 HydrophobicContact CG1-CE1 4.07Å; V540-F544 VanDerWaalsContact O-CD1 3.25Å; V540-F544 WeakPolarHBondContact O-CD1 3.38Å; F544-C546 HydrophobicContact CD2-CB 4.49Å; F544-C546 HydrophobicContact CE2-CB 4.19Å; F544-V554 HydrophobicContact CE2-CG1 3.79Å; F544-V554 HydrophobicContact CZ-CG1 3.82Å; F544-L562 HydrophobicContact CE1-CD2 3.82Å; F544-L562 HydrophobicContact CZ-CD2 3.82Å; F544-L617 HydrophobicContact CD2-CD2 3.88Å; F544-L617 HydrophobicContact CE2-CD2 3.92Å; F544-R618 CarbonylContact C-O 3.6Å; F544-R618 WeakPolarHBondContact CA-O 3.37Å; F544-R618 WeakPolarHBondContact CB-O 3.2Å; F544-F627 HydrophobicContact CB-CD1 4.32Å; F544-F627 HydrophobicContact CB-CE1 3.44Å; F544-F627 VanDerWaalsContact CB-CE1 3.44Å; F544-F627 HydrophobicContact CB-CZ 3.68Å; F544-F627 AromaticContact CD1-CE1 3.59Å; F544-F627 HydrophobicContact CD1-CE1 3.59Å; F544-F627 HydrophobicContact CD1-CZ 4.11Å; F544-F627 AromaticContact CG-CE1 3.71Å; F544-F627 HydrophobicContact CG-CE1 3.71Å; F544-F627 HydrophobicContact CG-CZ 4.29Å; F544-F631 HydrophobicContact CE1-CE2 4.49Å; F544-F631 HydrophobicContact CE1-CZ 4.18Å; F544-F631 HydrophobicContact CZ-CZ 4.09Å; F544-L682 HydrophobicContact CE1-CD2 4.25Å; F544-L682 HydrophobicContact CE2-CD1 4.44Å; F544-L682 HydrophobicContact CE2-CD2 4.34Å; F544-L682 HydrophobicContact CZ-CD1 4.19Å; F544-L682 HydrophobicContact CZ-CD2 3.65Å
545	E	84.2	Confident	86	Confident	86 Å²	86	34.8 Å²	34.8	40%	0.402	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	152.7	172.6	-69.8	175.7	-135.2	0	0	111.2	R618	E545-R618 HydrophobicContact CB-CB 4.44Å; E545-R618 PolarHBondContact N-O 3.4Å; E545-R618 PolarHBondContact O-N 2.84Å; E545-R618 IonicContact OE1-CZ 2.74Å; E545-R618 IonicContact OE1-NE 3.7Å; E545-R618 IonicContact OE1-NH2 2.66Å; E545-R618 PolarHBondContact OE1-NH2 3.21Å; E545-R618 IonicContact OE2-CZ 2.76Å; E545-R618 VanDerWaalsContact OE2-CZ 3.28Å; E545-R618 IonicContact OE2-NE 2.81Å; E545-R618 IonicContact OE2-NH2 2.94Å; E545-R618 PolarHBondContact OE2-NH2 3.26Å
546	C	86.9	Confident	86.1	Confident	17 Å²	17	36 Å²	36	12%	0.115	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	154.5	-177	-176.3	0	0	0	0	110.1	F544 Y551 L617	F544-C546 HydrophobicContact CD2-CB 4.49Å; F544-C546 HydrophobicContact CE2-CB 4.19Å; C546-Y551 HydrophobicContact CB-CD1 4.39Å; C546-Y551 HydrophobicContact CB-CE1 4.38Å; C546-Y551 WeakPolarHBondContact O-CE1 3.3Å; C546-L617 HydrophobicContact CB-CD2 3.75Å
547	E	84.9	Confident	85.8	Confident	109 Å²	109	34.8 Å²	34.8	51%	0.509	20%	0.195	S	C	.	.			trans	-69.9	146.4	171.5	-66.4	-178.4	172.3	0	0	111.5	A549 F550	E547-A549 PolarHBondContact O-N 2.99Å; E547-A549 VanDerWaalsContact O-N 3.16Å; E547-F550 HydrophobicContact CB-CD2 4.01Å; E547-F550 HydrophobicContact CB-CE2 4.34Å; E547-F550 PolarHBondContact O-N 3.49Å
548	P	82.2	Confident	85.7	Confident	78 Å²	78	31.9 Å²	31.9	51%	0.506	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-59	-30.6	-176.1	-26	34.7	0	0	0	114.9	F550 Y551	P548-F550 PolarHBondContact O-N 3.45Å; P548-F550 VanDerWaalsContact O-N 3.14Å; P548-Y551 VanDerWaalsContact CA-CE2 3.49Å; P548-Y551 HydrophobicContact CB-CD2 4.12Å; P548-Y551 HydrophobicContact CB-CE2 3.7Å; P548-Y551 HydrophobicContact CG-CE2 4.12Å; P548-Y551 PolarHBondContact O-N 2.71Å
549	A	82.3	Confident	85.6	Confident	69 Å²	69	32.5 Å²	32.5	57%	0.57	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-59	-25	177.8	0	0	0	0	0	113	E547	E547-A549 PolarHBondContact O-N 2.99Å; E547-A549 VanDerWaalsContact O-N 3.16Å
550	F	85.9	Confident	85.4	Confident	17 Å²	17	35.8 Å²	35.8	8%	0.075	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-107.5	2.7	-176.2	-54.2	-66.5	0	0	0	113.9	E547 P548 T552 C553 V554 I611 K616 I636 L657	E547-F550 HydrophobicContact CB-CD2 4.01Å; E547-F550 HydrophobicContact CB-CE2 4.34Å; E547-F550 PolarHBondContact O-N 3.49Å; P548-F550 PolarHBondContact O-N 3.45Å; P548-F550 VanDerWaalsContact O-N 3.14Å; F550-T552 PolarHBondContact O-N 2.92Å; F550-C553 WeakPolarHBondContact O-CB 3.47Å; F550-C553 PolarHBondContact O-N 3.3Å; F550-C553 VanDerWaalsContact O-N 3.09Å; F550-V554 HydrophobicContact CB-CG2 4.32Å; F550-V554 VanDerWaalsContact O-CG2 3.31Å; F550-V554 WeakPolarHBondContact O-CG2 3.22Å; F550-V554 PolarHBondContact O-N 3.05Å; F550-I611 HydrophobicContact CE1-CD1 4.24Å; F550-I611 HydrophobicContact CZ-CD1 4.26Å; F550-K616 HydrophobicContact CD2-CB 4.41Å; F550-K616 HydrophobicContact CE2-CB 4.41Å; F550-K616 HydrophobicContact CE2-CD 4.46Å; F550-K616 HydrophobicContact CE2-CG 4.26Å; F550-I636 HydrophobicContact CD1-CD1 3.85Å; F550-I636 HydrophobicContact CE1-CD1 4.2Å; F550-I636 HydrophobicContact CG-CD1 4.48Å; F550-L657 HydrophobicContact CD1-CD1 3.58Å; F550-L657 HydrophobicContact CE1-CD1 3.67Å; F550-L657 HydrophobicContact CE1-CD2 4.28Å
551	Y	86.1	Confident	85.4	Confident	17 Å²	17	40.7 Å²	40.7	7%	0.067	23%	0.228	C	C	.	.	H	α-helix	trans	-56	-47.9	-176.7	-71.2	-24.6	0	0	0	113.1	C546 P548 C553 V554 E555 L682 E683	C546-Y551 HydrophobicContact CB-CD1 4.39Å; C546-Y551 HydrophobicContact CB-CE1 4.38Å; C546-Y551 WeakPolarHBondContact O-CE1 3.3Å; P548-Y551 VanDerWaalsContact CA-CE2 3.49Å; P548-Y551 HydrophobicContact CB-CD2 4.12Å; P548-Y551 HydrophobicContact CB-CE2 3.7Å; P548-Y551 HydrophobicContact CG-CE2 4.12Å; P548-Y551 PolarHBondContact O-N 2.71Å; Y551-C553 VanDerWaalsContact C-N 3.29Å; Y551-C553 PolarHBondContact O-N 2.93Å; Y551-V554 PolarHBondContact O-N 3Å; Y551-E555 WeakPolarHBondContact O-CB 3.4Å; Y551-E555 PolarHBondContact O-N 2.98Å; Y551-L682 HydrophobicContact CD1-CB 3.89Å; Y551-L682 HydrophobicContact CD1-CD1 3.95Å; Y551-L682 HydrophobicContact CE1-CB 4.09Å; Y551-L682 HydrophobicContact CG-CB 4.23Å; Y551-L682 HydrophobicContact CG-CD1 4.5Å; Y551-E683 HydrophobicContact CD2-CB 4.14Å; Y551-E683 HydrophobicContact CE2-CB 3.72Å; Y551-E683 HydrophobicContact CE2-CG 4.21Å; Y551-E683 WeakPolarHBondContact CE2-OE2 3.35Å; Y551-E683 PolarHBondContact OH-OE2 3.37Å
552	T	82.8	Confident	85.5	Confident	37 Å²	37	40.3 Å²	40.3	23%	0.227	23%	0.226	C	C	.	.	H	α-helix	trans	-60.1	-43.4	178	-49.9	0	0	0	0	110.9	F550 V554 E555 V556 Y675	F550-T552 PolarHBondContact O-N 2.92Å; T552-V554 PolarHBondContact O-N 3.36Å; T552-E555 PolarHBondContact O-N 3.47Å; T552-V556 HydrophobicContact CG2-CG2 4.31Å; T552-V556 WeakPolarHBondContact O-CB 3.43Å; T552-V556 WeakPolarHBondContact O-CG2 3.44Å; T552-V556 PolarHBondContact O-N 3.48Å; T552-Y675 HydrophobicContact CG2-CD2 4Å; T552-Y675 HydrophobicContact CG2-CG 3.94Å
553	C	83.6	Confident	85.6	Confident	4 Å²	4	37.5 Å²	37.5	3%	0.027	21%	0.211	C	C	.	.	H	α-helix	trans	-62.3	-46.6	179.9	-65.7	0	0	0	0	111.4	F550 Y551 T557 M613 I655	F550-C553 WeakPolarHBondContact O-CB 3.47Å; F550-C553 PolarHBondContact O-N 3.3Å; F550-C553 VanDerWaalsContact O-N 3.09Å; Y551-C553 VanDerWaalsContact C-N 3.29Å; Y551-C553 PolarHBondContact O-N 2.93Å; C553-T557 WeakPolarHBondContact O-CB 3.49Å; C553-T557 PolarHBondContact O-N 3.5Å; C553-T557 PolarHBondContact O-OG1 3.16Å; C553-M613 HydrophobicContact CB-CE 4.1Å; C553-I655 HydrophobicContact CB-CD1 4.12Å; C553-I655 HydrophobicContact CB-CG2 4.32Å; C553-I655 WeakPolarHBondContact O-CD1 3.42Å
554	V	87.3	Confident	85.8	Confident	1 Å²	1	38 Å²	38	1%	0.006	21%	0.21	C	C	.	.	H	α-helix	trans	-68.6	-40.3	-179.3	174.5	0	0	0	0	111	F544 F550 Y551 T552 T557 A558 M613 L617 F631 L682	F544-V554 HydrophobicContact CE2-CG1 3.79Å; F544-V554 HydrophobicContact CZ-CG1 3.82Å; F550-V554 HydrophobicContact CB-CG2 4.32Å; F550-V554 VanDerWaalsContact O-CG2 3.31Å; F550-V554 WeakPolarHBondContact O-CG2 3.22Å; F550-V554 PolarHBondContact O-N 3.05Å; Y551-V554 PolarHBondContact O-N 3Å; T552-V554 PolarHBondContact O-N 3.36Å; V554-T557 PolarHBondContact O-N 3.49Å; V554-A558 WeakPolarHBondContact O-CB 3.39Å; V554-A558 PolarHBondContact O-N 3.3Å; V554-M613 HydrophobicContact CG2-CE 4.34Å; V554-M613 HydrophobicContact CG2-CG 4.39Å; V554-M613 HydrophobicContact CG2-SD 4.14Å; V554-L617 HydrophobicContact CG1-CD2 4.33Å; V554-L617 HydrophobicContact CG2-CD2 3.9Å; V554-F631 HydrophobicContact CG1-CD1 4.41Å; V554-F631 HydrophobicContact CG1-CE1 3.58Å; V554-F631 HydrophobicContact CG1-CZ 4.06Å; V554-L682 HydrophobicContact CB-CD1 4.29Å; V554-L682 HydrophobicContact CG1-CD1 4.01Å
555	E	85.6	Confident	85.8	Confident	27 Å²	27	37.6 Å²	37.6	13%	0.126	21%	0.208	C	C	.	.	H	α-helix	trans	-69.3	-41.4	-179.4	-173.4	169.1	178.6	0	0	112.4	Y551 T552 G559 L562 S680 R681	Y551-E555 WeakPolarHBondContact O-CB 3.4Å; Y551-E555 PolarHBondContact O-N 2.98Å; T552-E555 PolarHBondContact O-N 3.47Å; E555-G559 VanDerWaalsContact O-CA 3.31Å; E555-G559 WeakPolarHBondContact O-CA 3.42Å; E555-G559 PolarHBondContact O-N 3.18Å; E555-L562 HydrophobicContact CB-CD1 4.38Å; E555-L562 HydrophobicContact CG-CD1 4.02Å; E555-S680 WeakPolarHBondContact OE2-CA 3.43Å; E555-R681 WeakPolarHBondContact OE1-CD 3.44Å; E555-R681 WeakPolarHBondContact OE1-CG 3.48Å; E555-R681 IonicContact OE1-CZ 3.9Å; E555-R681 VanDerWaalsContact OE1-CZ 3.23Å; E555-R681 IonicContact OE1-NE 3.83Å; E555-R681 PolarHBondContact OE1-NE 2.83Å; E555-R681 IonicContact OE1-NH1 3.08Å; E555-R681 PolarHBondContact OE1-NH1 3.26Å; E555-R681 PolarHBondContact OE2-N 2.99Å; E555-R681 VanDerWaalsContact OE2-N 3.08Å
556	V	84	Confident	86.2	Confident	27 Å²	27	33.5 Å²	33.5	16%	0.164	19%	0.189	C	C	.	.	H	α-helix	trans	-67	-43.3	174.4	174.2	0	0	0	0	110.4	T552 A558 I655 Y675	T552-V556 HydrophobicContact CG2-CG2 4.31Å; T552-V556 WeakPolarHBondContact O-CB 3.43Å; T552-V556 WeakPolarHBondContact O-CG2 3.44Å; T552-V556 PolarHBondContact O-N 3.48Å; V556-A558 PolarHBondContact O-N 3.37Å; V556-I655 HydrophobicContact CB-CD1 4.16Å; V556-I655 HydrophobicContact CG1-CD1 4.19Å; V556-Y675 HydrophobicContact CG2-CD1 3.9Å; V556-Y675 HydrophobicContact CG2-CD2 4.19Å; V556-Y675 HydrophobicContact CG2-CE1 3.54Å; V556-Y675 HydrophobicContact CG2-CE2 3.88Å; V556-Y675 HydrophobicContact CG2-CG 4.23Å
557	T	84.8	Confident	86.4	Confident	13 Å²	13	32.7 Å²	32.7	8%	0.08	18%	0.183	C	C	.	.	H	α-helix	trans	-62.3	-45.5	-179.7	-63.2	0	0	0	0	112.4	C553 V554 M613 T634	C553-T557 WeakPolarHBondContact O-CB 3.49Å; C553-T557 PolarHBondContact O-N 3.5Å; C553-T557 PolarHBondContact O-OG1 3.16Å; V554-T557 PolarHBondContact O-N 3.49Å; T557-M613 HydrophobicContact CG2-CE 4.29Å; T557-M613 HydrophobicContact CG2-SD 3.87Å; T557-M613 WeakPolarHBondContact OG1-CE 3.48Å; T557-T634 HydrophobicContact CG2-CG2 3.8Å; T557-T634 WeakPolarHBondContact CG2-OG1 3.47Å
558	A	85.4	Confident	86.6	Confident	4 Å²	4	32.4 Å²	32.4	3%	0.033	18%	0.182	C	C	.	.	H	α-helix	trans	-83.1	-34.2	180	0	0	0	0	0	112.7	V554 V556 T560 R561 L562 V630 F631	V554-A558 WeakPolarHBondContact O-CB 3.39Å; V554-A558 PolarHBondContact O-N 3.3Å; V556-A558 PolarHBondContact O-N 3.37Å; A558-T560 PolarHBondContact O-N 3.02Å; A558-T560 VanDerWaalsContact O-N 3.13Å; A558-R561 HydrophobicContact CB-CB 4.28Å; A558-R561 WeakPolarHBondContact O-CA 3.21Å; A558-R561 WeakPolarHBondContact O-CB 3.49Å; A558-R561 VanDerWaalsContact O-CG 3.22Å; A558-R561 WeakPolarHBondContact O-CG 3.33Å; A558-R561 PolarHBondContact O-N 3.24Å; A558-L562 HydrophobicContact CB-CD2 3.53Å; A558-L562 HydrophobicContact CB-CG 3.58Å; A558-V630 HydrophobicContact CB-CG1 4.09Å; A558-F631 HydrophobicContact CB-CE1 3.58Å; A558-F631 HydrophobicContact CB-CZ 3.9Å
559	G	85	Confident	86.8	Confident	26 Å²	26	31.2 Å²	31.2	27%	0.268	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	53.7	-117.2	-177.1	0	0	0	0	0	111.8	E555 R561	E555-G559 VanDerWaalsContact O-CA 3.31Å; E555-G559 WeakPolarHBondContact O-CA 3.42Å; E555-G559 PolarHBondContact O-N 3.18Å; G559-R561 VanDerWaalsContact C-N 3.29Å; G559-R561 PolarHBondContact O-N 3.21Å
560	T	84.8	Confident	87.1	Confident	85 Å²	85	31.5 Å²	31.5	52%	0.521	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-74.4	-16.2	176.6	53.4	0	0	0	0	113.7	A558 L562 F563	A558-T560 PolarHBondContact O-N 3.02Å; A558-T560 VanDerWaalsContact O-N 3.13Å; T560-L562 PolarHBondContact O-N 2.66Å; T560-F563 PolarHBondContact O-N 3.45Å
561	R	88.7	Confident	87.1	Confident	104 Å²	104	37.3 Å²	37.3	39%	0.392	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-65.7	-19.6	179.9	-56.3	177.2	-178.9	177.9	3.8	113.3	A558 G559 F563 Y564 V630	A558-R561 HydrophobicContact CB-CB 4.28Å; A558-R561 WeakPolarHBondContact O-CA 3.21Å; A558-R561 WeakPolarHBondContact O-CB 3.49Å; A558-R561 VanDerWaalsContact O-CG 3.22Å; A558-R561 WeakPolarHBondContact O-CG 3.33Å; A558-R561 PolarHBondContact O-N 3.24Å; G559-R561 VanDerWaalsContact C-N 3.29Å; G559-R561 PolarHBondContact O-N 3.21Å; R561-F563 PolarHBondContact O-N 3.44Å; R561-Y564 HydrophobicContact CB-CD2 4.22Å; R561-Y564 HydrophobicContact CB-CE2 4.15Å; R561-Y564 HydrophobicContact CB-CG 4.46Å; R561-Y564 HydrophobicContact CG-CD2 4.4Å; R561-Y564 HydrophobicContact CG-CE1 4.42Å; R561-Y564 HydrophobicContact CG-CE2 3.82Å; R561-Y564 WeakPolarHBondContact O-CB 3.27Å; R561-Y564 PolarHBondContact O-N 3.34Å; R561-V630 HydrophobicContact CB-CG1 3.88Å
562	L	88.1	Confident	87.1	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-59.3	-27.3	171.7	-68	-179	0	0	0	112.6	V540 M541 F544 E555 A558 T560 F631	V540-L562 PolarHBondContact N-O 3Å; M541-L562 HydrophobicContact CB-CB 4.49Å; M541-L562 WeakPolarHBondContact CB-O 3.32Å; M541-L562 PolarHBondContact N-O 3.5Å; F544-L562 HydrophobicContact CE1-CD2 3.82Å; F544-L562 HydrophobicContact CZ-CD2 3.82Å; E555-L562 HydrophobicContact CB-CD1 4.38Å; E555-L562 HydrophobicContact CG-CD1 4.02Å; A558-L562 HydrophobicContact CB-CD2 3.53Å; A558-L562 HydrophobicContact CB-CG 3.58Å; T560-L562 PolarHBondContact O-N 2.66Å; L562-F631 HydrophobicContact CD2-CZ 3.97Å
563	F	88	Confident	87.4	Confident	13 Å²	13	35 Å²	35	6%	0.057	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-95.7	6.8	-178.1	-57.7	-75	0	0	0	113.4	T505 I509 I513 I539 M541 T560 R561 H565	T505-F563 HydrophobicContact CG2-CE1 3.89Å; T505-F563 HydrophobicContact CG2-CE2 4.34Å; T505-F563 HydrophobicContact CG2-CZ 3.65Å; I509-F563 HydrophobicContact CG2-CB 3.81Å; I509-F563 HydrophobicContact CG2-CD1 3.79Å; I509-F563 HydrophobicContact CG2-CD2 3.8Å; I509-F563 HydrophobicContact CG2-CE1 4.25Å; I509-F563 HydrophobicContact CG2-CE2 4.26Å; I509-F563 HydrophobicContact CG2-CG 3.51Å; I509-F563 HydrophobicContact CG2-CZ 4.45Å; I513-F563 HydrophobicContact CD1-CD1 3.94Å; I513-F563 HydrophobicContact CD1-CE1 4.43Å; I539-F563 HydrophobicContact CD1-CD1 4.37Å; M541-F563 HydrophobicContact CE-CE1 4.42Å; M541-F563 HydrophobicContact SD-CE1 4.35Å; T560-F563 PolarHBondContact O-N 3.45Å; R561-F563 PolarHBondContact O-N 3.44Å; F563-H565 PolarHBondContact O-CD2 2.97Å
564	Y	91.2	Very high	87.7	Confident	51 Å²	51	38.8 Å²	38.8	20%	0.2	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-69.3	137.8	177	-72.6	7.2	0	0	0	110.3	I539 V540 R561 T590 L592	I539-Y564 CarbonylContact C-O 3.58Å; I539-Y564 VanDerWaalsContact CA-O 3.25Å; I539-Y564 WeakPolarHBondContact CA-O 3.18Å; V540-Y564 WeakPolarHBondContact CG2-O 3.22Å; V540-Y564 PolarHBondContact N-O 3.06Å; R561-Y564 HydrophobicContact CB-CD2 4.22Å; R561-Y564 HydrophobicContact CB-CE2 4.15Å; R561-Y564 HydrophobicContact CB-CG 4.46Å; R561-Y564 HydrophobicContact CG-CD2 4.4Å; R561-Y564 HydrophobicContact CG-CE1 4.42Å; R561-Y564 HydrophobicContact CG-CE2 3.82Å; R561-Y564 WeakPolarHBondContact O-CB 3.27Å; R561-Y564 PolarHBondContact O-N 3.34Å; Y564-T590 WeakPolarHBondContact CA-O 3.44Å; Y564-T590 VanDerWaalsContact CD1-CB 3.48Å; Y564-T590 HydrophobicContact CD1-CG2 3.94Å; Y564-T590 HydrophobicContact CD2-CG2 4.27Å; Y564-T590 VanDerWaalsContact CE1-CB 3.49Å; Y564-T590 HydrophobicContact CE1-CG2 3.65Å; Y564-T590 WeakPolarHBondContact CE1-OG1 3.4Å; Y564-T590 HydrophobicContact CE2-CG2 4.01Å; Y564-T590 HydrophobicContact CG-CG2 4.24Å; Y564-L592 HydrophobicContact CD2-CD1 4.05Å; Y564-L592 HydrophobicContact CD2-CD2 4.07Å; Y564-L592 HydrophobicContact CD2-CG 3.97Å; Y564-L592 HydrophobicContact CG-CD1 4.38Å; Y564-L592 HydrophobicContact CG-CG 4.43Å
565	H	90.4	Very high	87.7	Confident	4 Å²	4	42.1 Å²	42.1	2%	0.019	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	117.8	-176.1	-65.4	-87.7	0	0	0	110.7	I516 Y536 G538 I539 F563 V567 T590 F591 L592	I516-H565 WeakPolarHBondContact CD1-NE2 3.41Å; Y536-H565 HydrophobicContact CE2-CB 3.89Å; Y536-H565 AromaticContact CE2-CG 3.96Å; Y536-H565 AromaticContact CE2-ND1 3.47Å; Y536-H565 WeakPolarHBondContact CE2-ND1 3.42Å; Y536-H565 AromaticContact CZ-ND1 3.49Å; Y536-H565 PolarHBondContact OH-CE1 2.94Å; Y536-H565 VanDerWaalsContact OH-CE1 3.26Å; Y536-H565 PolarHBondContact OH-ND1 2.83Å; G538-H565 CarbonylContact O-C 3.58Å; G538-H565 WeakPolarHBondContact O-CA 3.48Å; I539-H565 WeakPolarHBondContact CG2-CE1 3.11Å; I539-H565 WeakPolarHBondContact CG2-ND1 3.2Å; F563-H565 PolarHBondContact O-CD2 2.97Å; H565-V567 PolarHBondContact O-N 2.91Å; H565-T590 PolarHBondContact CD2-O 3.19Å; H565-T590 PolarHBondContact N-O 3.09Å; H565-F591 HydrophobicContact CB-CD1 3.55Å; H565-F591 HydrophobicContact CB-CE1 3.85Å; H565-F591 HydrophobicContact CB-CG 4.48Å; H565-F591 CarbonylContact O-C 3.41Å; H565-F591 WeakPolarHBondContact O-CA 3.3Å; H565-L592 PolarHBondContact O-N 3Å
566	I	91.6	Very high	87.8	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	122	177.2	-56.7	173.4	0	0	0	108.4	H537 G538 V540 N543 L594 F623 F627	H537-I566 HydrophobicContact CB-CB 4.18Å; H537-I566 HydrophobicContact CB-CG2 4.16Å; H537-I566 PolarHBondContact N-O 3.44Å; G538-I566 PolarHBondContact O-N 3.08Å; V540-I566 HydrophobicContact CG2-CD1 4.19Å; V540-I566 HydrophobicContact CG2-CG1 4.08Å; N543-I566 HydrophobicContact CB-CD1 4.01Å; I566-L594 HydrophobicContact CG2-CD1 4.22Å; I566-L594 HydrophobicContact CG2-CD2 4.06Å; I566-L594 HydrophobicContact CG2-CG 4.13Å; I566-F623 HydrophobicContact CD1-CD2 4.26Å; I566-F623 HydrophobicContact CD1-CG 4.32Å; I566-F623 HydrophobicContact CG2-CD1 3.9Å; I566-F623 HydrophobicContact CG2-CE1 3.99Å; I566-F623 HydrophobicContact CG2-CG 4.41Å; I566-F627 HydrophobicContact CD1-CE2 4.41Å
567	V	91.4	Very high	88.1	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	148.1	178.9	-62.8	0	0	0	0	110.4	G535 Y536 H565 V572 F591 L592 P593 L594	G535-V567 CarbonylContact O-C 3.6Å; G535-V567 WeakPolarHBondContact O-CA 3.39Å; Y536-V567 HydrophobicContact CD2-CG1 3.93Å; H565-V567 PolarHBondContact O-N 2.91Å; V567-V572 HydrophobicContact CB-CB 4.25Å; V567-V572 HydrophobicContact CB-CG1 4.08Å; V567-V572 HydrophobicContact CG1-CG1 3.89Å; V567-F591 HydrophobicContact CG1-CD1 3.73Å; V567-F591 HydrophobicContact CG1-CE1 4.3Å; V567-F591 HydrophobicContact CG2-CB 4.19Å; V567-F591 HydrophobicContact CG2-CD1 4.47Å; V567-L592 PolarHBondContact N-O 2.81Å; V567-L592 VanDerWaalsContact N-O 3.1Å; V567-P593 HydrophobicContact CG2-CB 4.16Å; V567-P593 WeakPolarHBondContact O-CA 3.46Å; V567-L594 WeakPolarHBondContact O-CG 3.46Å; V567-L594 PolarHBondContact O-N 3.27Å
568	E	88.5	Confident	88.3	Confident	104 Å²	104	47.2 Å²	47.2	49%	0.486	24%	0.242	S	C	.	.	S	Bend	trans	-68.5	-49.7	-176.2	-166	173.6	-170.7	0	0	111.6	G535 S595	G535-E568 PolarHBondContact O-N 3.09Å; E568-S595 PolarHBondContact O-N 2.82Å
569	T	88.1	Confident	88.3	Confident	53 Å²	53	48 Å²	48	33%	0.325	25%	0.245	S	C	.	.	S	Bend	trans	-129.8	160.7	-177.6	68.8	0	0	0	0	112.2	E571 V572	T569-E571 PolarHBondContact O-N 3.06Å; T569-V572 WeakPolarHBondContact O-CB 3.37Å; T569-V572 PolarHBondContact O-N 3.12Å
570	D	87.2	Confident	88.5	Confident	74 Å²	74	47.2 Å²	47.2	40%	0.396	23%	0.234	S	C	.	.	H	α-helix	trans	-71	-17.7	178.1	-162.2	11.4	0	0	0	113.1	V572 S573 T574	D570-V572 VanDerWaalsContact C-N 3.31Å; D570-V572 PolarHBondContact O-N 2.91Å; D570-S573 VanDerWaalsContact C-OG 3.3Å; D570-S573 VanDerWaalsContact CA-OG 3.25Å; D570-S573 WeakPolarHBondContact CA-OG 3.46Å; D570-S573 PolarHBondContact O-OG 3.13Å; D570-S573 PolarHBondContact OD1-OG 3.34Å; D570-T574 WeakPolarHBondContact O-CB 3.36Å; D570-T574 PolarHBondContact O-N 2.94Å; D570-T574 PolarHBondContact O-OG1 2.91Å
571	E	86.2	Confident	88.8	Confident	140 Å²	140	48.8 Å²	48.8	65%	0.654	24%	0.239	S	C	*	.	H	α-helix	trans	-66	-37.4	173.8	-65.6	-168.3	163.7	0	0	111.4	T569 T574 K575	T569-E571 PolarHBondContact O-N 3.06Å; E571-T574 PolarHBondContact O-N 2.92Å; E571-K575 WeakPolarHBondContact O-CB 3.26Å; E571-K575 PolarHBondContact O-N 3.16Å
572	V	87.4	Confident	88.8	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.012	25%	0.25	C	S	.	.	H	α-helix	trans	-61.3	-50.5	177.1	177.9	0	0	0	0	110.2	V532 V567 T569 D570 K575 I576	V532-V572 HydrophobicContact CB-CG1 4.48Å; V532-V572 HydrophobicContact CG1-CG1 3.88Å; V567-V572 HydrophobicContact CB-CB 4.25Å; V567-V572 HydrophobicContact CB-CG1 4.08Å; V567-V572 HydrophobicContact CG1-CG1 3.89Å; T569-V572 WeakPolarHBondContact O-CB 3.37Å; T569-V572 PolarHBondContact O-N 3.12Å; D570-V572 VanDerWaalsContact C-N 3.31Å; D570-V572 PolarHBondContact O-N 2.91Å; V572-K575 PolarHBondContact O-N 3.48Å; V572-I576 HydrophobicContact CG1-CD1 3.88Å; V572-I576 WeakPolarHBondContact O-CD1 3.2Å; V572-I576 VanDerWaalsContact O-CG1 3.24Å; V572-I576 WeakPolarHBondContact O-CG1 3.4Å; V572-I576 PolarHBondContact O-N 3.47Å
573	S	88.8	Confident	88.7	Confident	4 Å²	4	53.8 Å²	53.8	3%	0.028	27%	0.266	C	S	.	.	H	α-helix	trans	-60.4	-46.7	176.4	32.7	0	0	0	0	111.8	D570 K575 I576 L577	D570-S573 VanDerWaalsContact C-OG 3.3Å; D570-S573 VanDerWaalsContact CA-OG 3.25Å; D570-S573 WeakPolarHBondContact CA-OG 3.46Å; D570-S573 PolarHBondContact O-OG 3.13Å; D570-S573 PolarHBondContact OD1-OG 3.34Å; S573-K575 VanDerWaalsContact C-N 3.31Å; S573-K575 PolarHBondContact O-N 3.37Å; S573-I576 PolarHBondContact O-N 3.45Å; S573-L577 WeakPolarHBondContact O-CB 3.32Å; S573-L577 WeakPolarHBondContact O-CG 2.88Å; S573-L577 PolarHBondContact O-N 2.85Å
574	T	88.6	Confident	88.6	Confident	82 Å²	82	60.2 Å²	60.2	50%	0.503	30%	0.301	S	S	.	.	H	α-helix	trans	-60.4	-42.3	-179.8	-59.6	0	0	0	0	111.5	D570 E571 L577 M578	D570-T574 WeakPolarHBondContact O-CB 3.36Å; D570-T574 PolarHBondContact O-N 2.94Å; D570-T574 PolarHBondContact O-OG1 2.91Å; E571-T574 PolarHBondContact O-N 2.92Å; T574-L577 PolarHBondContact O-N 3.4Å; T574-M578 WeakPolarHBondContact O-CB 3.3Å; T574-M578 PolarHBondContact O-N 3.44Å
575	K	87.4	Confident	88.4	Confident	71 Å²	71	59.3 Å²	59.3	31%	0.309	30%	0.299	S	S	.	.	H	α-helix	trans	-71.3	-38.9	-178.1	-158.2	62.6	171.5	174.9	0	112.6	F523 N529 V532 E571 V572 S573 M578 E579	F523-K575 HydrophobicContact CZ-CG 4.09Å; N529-K575 WeakPolarHBondContact ND2-CE 3.22Å; V532-K575 HydrophobicContact CG2-CB 4.17Å; V532-K575 HydrophobicContact CG2-CG 4.35Å; E571-K575 WeakPolarHBondContact O-CB 3.26Å; E571-K575 PolarHBondContact O-N 3.16Å; V572-K575 PolarHBondContact O-N 3.48Å; S573-K575 VanDerWaalsContact C-N 3.31Å; S573-K575 PolarHBondContact O-N 3.37Å; K575-M578 HydrophobicContact CD-SD 4.45Å; K575-M578 PolarHBondContact O-N 3.28Å; K575-E579 PolarHBondContact O-N 2.88Å
576	I	88.8	Confident	88	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-62.9	-46.9	173.8	-66.7	167.7	0	0	0	109.7	I516 V519 L520 F523 V532 Y536 V572 S573 M578 E579 F580 F591	I516-I576 HydrophobicContact CD1-CG2 4.38Å; I516-I576 HydrophobicContact CG1-CG2 3.79Å; V519-I576 HydrophobicContact CG1-CB 4.5Å; V519-I576 HydrophobicContact CG1-CG2 4.11Å; L520-I576 HydrophobicContact CD2-CD1 4.31Å; F523-I576 HydrophobicContact CE2-CG1 4.12Å; V532-I576 HydrophobicContact CG1-CD1 4.06Å; V532-I576 HydrophobicContact CG1-CG1 3.8Å; Y536-I576 HydrophobicContact CD2-CD1 4.12Å; V572-I576 HydrophobicContact CG1-CD1 3.88Å; V572-I576 WeakPolarHBondContact O-CD1 3.2Å; V572-I576 VanDerWaalsContact O-CG1 3.24Å; V572-I576 WeakPolarHBondContact O-CG1 3.4Å; V572-I576 PolarHBondContact O-N 3.47Å; S573-I576 PolarHBondContact O-N 3.45Å; I576-M578 VanDerWaalsContact C-N 3.34Å; I576-M578 PolarHBondContact O-N 3.29Å; I576-E579 PolarHBondContact O-N 2.94Å; I576-F580 WeakPolarHBondContact O-CB 3.35Å; I576-F580 PolarHBondContact O-N 3.49Å; I576-F591 HydrophobicContact CB-CZ 4.08Å; I576-F591 HydrophobicContact CD1-CE1 4.13Å; I576-F591 HydrophobicContact CD1-CZ 4.45Å; I576-F591 HydrophobicContact CG2-CE1 4.37Å; I576-F591 HydrophobicContact CG2-CZ 3.71Å
577	L	89.6	Confident	87.5	Confident	68 Å²	68	64.5 Å²	64.5	36%	0.356	34%	0.34	S	S	.	.	H	α-helix	trans	-61.6	-39.2	177.1	-77.1	173.8	0	0	0	113.1	S573 T574 F580 N581 V589 F591	S573-L577 WeakPolarHBondContact O-CB 3.32Å; S573-L577 WeakPolarHBondContact O-CG 2.88Å; S573-L577 PolarHBondContact O-N 2.85Å; T574-L577 PolarHBondContact O-N 3.4Å; L577-F580 PolarHBondContact O-N 2.86Å; L577-N581 WeakPolarHBondContact O-CB 3.1Å; L577-N581 PolarHBondContact O-N 3Å; L577-V589 HydrophobicContact CD2-CG2 3.74Å; L577-F591 HydrophobicContact CD1-CD2 4.49Å; L577-F591 HydrophobicContact CD1-CE2 4.31Å; L577-F591 HydrophobicContact CD2-CE2 4.06Å; L577-F591 HydrophobicContact CG-CD2 4.49Å; L577-F591 HydrophobicContact CG-CE2 3.84Å
578	M	88.3	Confident	87.1	Confident	107 Å²	107	70.8 Å²	70.8	53%	0.527	37%	0.369	S	S	.	.	H	α-helix	trans	-60.7	-48.1	178.4	-174.8	-175.3	179.1	0	0	111.5	T574 K575 I576 K582	T574-M578 WeakPolarHBondContact O-CB 3.3Å; T574-M578 PolarHBondContact O-N 3.44Å; K575-M578 HydrophobicContact CD-SD 4.45Å; K575-M578 PolarHBondContact O-N 3.28Å; I576-M578 VanDerWaalsContact C-N 3.34Å; I576-M578 PolarHBondContact O-N 3.29Å; M578-K582 VanDerWaalsContact O-CB 3.27Å; M578-K582 WeakPolarHBondContact O-CB 3.16Å; M578-K582 PolarHBondContact O-N 3.38Å
579	E	87	Confident	87	Confident	19 Å²	19	67 Å²	67	9%	0.089	35%	0.353	C	S	.	.	H	α-helix	trans	-73.5	-33.8	177.7	-70.6	-60.9	140.8	0	0	112.2	V519 F523 K575 I576 N581 K582 M583	V519-E579 HydrophobicContact CG1-CB 3.86Å; V519-E579 HydrophobicContact CG2-CB 4.47Å; F523-E579 HydrophobicContact CE1-CB 4.43Å; F523-E579 HydrophobicContact CE1-CG 3.6Å; F523-E579 HydrophobicContact CZ-CB 4.02Å; F523-E579 HydrophobicContact CZ-CG 3.55Å; K575-E579 PolarHBondContact O-N 2.88Å; I576-E579 PolarHBondContact O-N 2.94Å; E579-N581 PolarHBondContact O-N 2.9Å; E579-K582 PolarHBondContact O-N 3.07Å; E579-K582 IonicContact OE1-NZ 3.03Å; E579-K582 PolarHBondContact OE1-NZ 3.24Å; E579-K582 IonicContact OE2-NZ 3.97Å; E579-K582 PolarHBondContact OE2-NZ 3.09Å; E579-M583 HydrophobicContact CB-CE 4.33Å; E579-M583 WeakPolarHBondContact O-CB 3.25Å; E579-M583 VanDerWaalsContact O-CG 3.32Å; E579-M583 WeakPolarHBondContact O-CG 3.35Å; E579-M583 PolarHBondContact O-N 3.09Å
580	F	89.4	Confident	87	Confident	11 Å²	11	66.7 Å²	66.7	5%	0.048	35%	0.351	C	S	.	.	H	α-helix	trans	-57.4	-47.9	173.5	-170.5	-77.7	0	0	0	111.5	V519 I576 L577 N584 L585 V589	V519-F580 HydrophobicContact CG2-CB 4.26Å; I576-F580 WeakPolarHBondContact O-CB 3.35Å; I576-F580 PolarHBondContact O-N 3.49Å; L577-F580 PolarHBondContact O-N 2.86Å; F580-N584 PolarHBondContact O-N 3Å; F580-L585 HydrophobicContact CD1-CB 4.34Å; F580-L585 HydrophobicContact CD2-CB 4.36Å; F580-L585 HydrophobicContact CD2-CD1 4.46Å; F580-L585 HydrophobicContact CE1-CB 4.23Å; F580-L585 WeakPolarHBondContact CE1-O 3.24Å; F580-L585 HydrophobicContact CE2-CB 4.3Å; F580-L585 HydrophobicContact CG-CB 4.39Å; F580-L585 HydrophobicContact CZ-CB 4.2Å; F580-L585 PolarHBondContact O-N 3.31Å; F580-V589 HydrophobicContact CE2-CG1 3.87Å; F580-V589 HydrophobicContact CE2-CG2 4.45Å; F580-V589 HydrophobicContact CZ-CG1 4.33Å
581	N	89.3	Confident	87.2	Confident	117 Å²	117	64.4 Å²	64.4	63%	0.626	34%	0.338	S	S	*	.	H	α-helix	trans	-69	-40.9	177.2	-75.3	-13.6	0	0	0	112.1	L577 E579 M583 N584	L577-N581 WeakPolarHBondContact O-CB 3.1Å; L577-N581 PolarHBondContact O-N 3Å; E579-N581 PolarHBondContact O-N 2.9Å; N581-M583 VanDerWaalsContact C-N 3.29Å; N581-M583 PolarHBondContact O-N 2.98Å; N581-N584 PolarHBondContact O-N 3.37Å
582	K	88.8	Confident	87.4	Confident	144 Å²	144	58.1 Å²	58.1	63%	0.626	31%	0.309	S	S	*	.	H	α-helix	trans	-62.6	-36	178.3	-178.2	-178.2	171.5	-168	0	112.7	M578 E579 N584	M578-K582 VanDerWaalsContact O-CB 3.27Å; M578-K582 WeakPolarHBondContact O-CB 3.16Å; M578-K582 PolarHBondContact O-N 3.38Å; E579-K582 PolarHBondContact O-N 3.07Å; E579-K582 IonicContact OE1-NZ 3.03Å; E579-K582 PolarHBondContact OE1-NZ 3.24Å; E579-K582 IonicContact OE2-NZ 3.97Å; E579-K582 PolarHBondContact OE2-NZ 3.09Å; K582-N584 VanDerWaalsContact C-N 3.26Å
583	M	85.9	Confident	87.5	Confident	65 Å²	65	59 Å²	59	32%	0.32	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-0.8	176.6	-66.7	-177.7	-162.8	0	0	113.1	V519 H522 E579 N581 L585	V519-M583 HydrophobicContact CG2-SD 4.43Å; H522-M583 HydrophobicContact CB-CE 3.88Å; H522-M583 VanDerWaalsContact CG-CE 3.43Å; E579-M583 HydrophobicContact CB-CE 4.33Å; E579-M583 WeakPolarHBondContact O-CB 3.25Å; E579-M583 VanDerWaalsContact O-CG 3.32Å; E579-M583 WeakPolarHBondContact O-CG 3.35Å; E579-M583 PolarHBondContact O-N 3.09Å; N581-M583 VanDerWaalsContact C-N 3.29Å; N581-M583 PolarHBondContact O-N 2.98Å; M583-L585 VanDerWaalsContact C-N 3.26Å; M583-L585 HydrophobicContact CB-CD1 3.96Å; M583-L585 HydrophobicContact CB-CD2 4.15Å; M583-L585 HydrophobicContact CB-CG 3.65Å; M583-L585 PolarHBondContact O-N 2.8Å; M583-L585 HydrophobicContact SD-CD1 4.29Å
584	N	86.9	Confident	87.5	Confident	148 Å²	148	60.5 Å²	60.5	79%	0.791	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	46.9	-178.8	-158.8	21.3	0	0	0	112.5	F580 N581 K582	F580-N584 PolarHBondContact O-N 3Å; N581-N584 PolarHBondContact O-N 3.37Å; K582-N584 VanDerWaalsContact C-N 3.26Å
585	L	87.6	Confident	87.3	Confident	33 Å²	33	60.1 Å²	60.1	17%	0.173	32%	0.323	C	S	.	.			trans	-81.7	141	-173.9	-65.9	175.8	0	0	0	111.6	S515 K518 V519 F580 M583	S515-L585 WeakPolarHBondContact O-CD1 3.34Å; S515-L585 WeakPolarHBondContact OG-CB 3.5Å; K518-L585 HydrophobicContact CB-CD1 4.5Å; K518-L585 HydrophobicContact CD-CD2 4.45Å; V519-L585 HydrophobicContact CG2-CD1 3.67Å; F580-L585 HydrophobicContact CD1-CB 4.34Å; F580-L585 HydrophobicContact CD2-CB 4.36Å; F580-L585 HydrophobicContact CD2-CD1 4.46Å; F580-L585 HydrophobicContact CE1-CB 4.23Å; F580-L585 WeakPolarHBondContact CE1-O 3.24Å; F580-L585 HydrophobicContact CE2-CB 4.3Å; F580-L585 HydrophobicContact CG-CB 4.39Å; F580-L585 HydrophobicContact CZ-CB 4.2Å; F580-L585 PolarHBondContact O-N 3.31Å; M583-L585 VanDerWaalsContact C-N 3.26Å; M583-L585 HydrophobicContact CB-CD1 3.96Å; M583-L585 HydrophobicContact CB-CD2 4.15Å; M583-L585 HydrophobicContact CB-CG 3.65Å; M583-L585 PolarHBondContact O-N 2.8Å; M583-L585 HydrophobicContact SD-CD1 4.29Å
586	P	81.9	Confident	87.1	Confident	76 Å²	76	64.1 Å²	64.1	49%	0.494	34%	0.34	S	S	.	.			trans	-78.7	140.9	-180	30.9	-33.8	0	0	0	111.7	N511 S515	N511-P586 CarbonylContact C-O 3.6Å; N511-P586 HydrophobicContact CB-CB 4.36Å; N511-P586 HydrophobicContact CB-CG 4.38Å; N511-P586 WeakPolarHBondContact CB-O 3.44Å; S515-P586 PolarHBondContact OG-O 2.95Å
587	G	80.4	Confident	86.9	Confident	36 Å²	36	65 Å²	65	37%	0.371	35%	0.345	S	S	.	.	S	Bend	trans	132	169.1	169.9	0	0	0	0	0	113.7	A508	A508-G587 WeakPolarHBondContact O-CA 3.4Å
588	E	82.4	Confident	86.5	Confident	133 Å²	133	68.7 Å²	68.7	62%	0.621	37%	0.365	S	S	*	.			trans	-110.9	134.9	172.5	-171.4	179.8	174.9	0	0	108.8
589	V	86.6	Confident	86.1	Confident	25 Å²	25	65.5 Å²	65.5	15%	0.152	35%	0.351	C	S	.	.			trans	-130.9	139.5	179.3	-64	0	0	0	0	109.5	I516 L577 F580 F591	I516-V589 HydrophobicContact CD1-CB 3.77Å; I516-V589 HydrophobicContact CD1-CG1 3.52Å; I516-V589 HydrophobicContact CD1-CG2 4.37Å; I516-V589 HydrophobicContact CG1-CG1 3.95Å; L577-V589 HydrophobicContact CD2-CG2 3.74Å; F580-V589 HydrophobicContact CE2-CG1 3.87Å; F580-V589 HydrophobicContact CE2-CG2 4.45Å; F580-V589 HydrophobicContact CZ-CG1 4.33Å; V589-F591 HydrophobicContact CB-CE2 4.37Å; V589-F591 HydrophobicContact CB-CZ 4.49Å; V589-F591 HydrophobicContact CG2-CE2 3.85Å; V589-F591 HydrophobicContact CG2-CZ 4.22Å
590	T	88.6	Confident	85.3	Confident	46 Å²	46	74.6 Å²	74.6	28%	0.282	39%	0.385	S	S	.	.			trans	-131.4	134.1	-178.8	-36.2	0	0	0	0	109.2	Y564 H565	Y564-T590 WeakPolarHBondContact CA-O 3.44Å; Y564-T590 VanDerWaalsContact CD1-CB 3.48Å; Y564-T590 HydrophobicContact CD1-CG2 3.94Å; Y564-T590 HydrophobicContact CD2-CG2 4.27Å; Y564-T590 VanDerWaalsContact CE1-CB 3.49Å; Y564-T590 HydrophobicContact CE1-CG2 3.65Å; Y564-T590 WeakPolarHBondContact CE1-OG1 3.4Å; Y564-T590 HydrophobicContact CE2-CG2 4.01Å; Y564-T590 HydrophobicContact CG-CG2 4.24Å; H565-T590 PolarHBondContact CD2-O 3.19Å; H565-T590 PolarHBondContact N-O 3.09Å
591	F	90.8	Very high	84.4	Confident	26 Å²	26	81.4 Å²	81.4	11%	0.114	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	147	-175.3	-62.7	-80.6	0	0	0	111.8	I516 H565 V567 I576 L577 V589 P593	I516-F591 HydrophobicContact CD1-CE1 3.81Å; I516-F591 HydrophobicContact CD1-CZ 3.62Å; I516-F591 HydrophobicContact CG1-CZ 4.4Å; H565-F591 HydrophobicContact CB-CD1 3.55Å; H565-F591 HydrophobicContact CB-CE1 3.85Å; H565-F591 HydrophobicContact CB-CG 4.48Å; H565-F591 CarbonylContact O-C 3.41Å; H565-F591 WeakPolarHBondContact O-CA 3.3Å; V567-F591 HydrophobicContact CG1-CD1 3.73Å; V567-F591 HydrophobicContact CG1-CE1 4.3Å; V567-F591 HydrophobicContact CG2-CB 4.19Å; V567-F591 HydrophobicContact CG2-CD1 4.47Å; I576-F591 HydrophobicContact CB-CZ 4.08Å; I576-F591 HydrophobicContact CD1-CE1 4.13Å; I576-F591 HydrophobicContact CD1-CZ 4.45Å; I576-F591 HydrophobicContact CG2-CE1 4.37Å; I576-F591 HydrophobicContact CG2-CZ 3.71Å; L577-F591 HydrophobicContact CD1-CD2 4.49Å; L577-F591 HydrophobicContact CD1-CE2 4.31Å; L577-F591 HydrophobicContact CD2-CE2 4.06Å; L577-F591 HydrophobicContact CG-CD2 4.49Å; L577-F591 HydrophobicContact CG-CE2 3.84Å; V589-F591 HydrophobicContact CB-CE2 4.37Å; V589-F591 HydrophobicContact CB-CZ 4.49Å; V589-F591 HydrophobicContact CG2-CE2 3.85Å; V589-F591 HydrophobicContact CG2-CZ 4.22Å; F591-P593 WeakPolarHBondContact O-CD 3.37Å
592	L	90.8	Very high	83.6	Confident	7 Å²	7	77.4 Å²	77.4	4%	0.037	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	88.8	173.6	-75.1	171	0	0	0	109.1	V540 Y564 H565 V567 L594 L597 A626 V630	V540-L592 HydrophobicContact CG2-CD1 3.62Å; Y564-L592 HydrophobicContact CD2-CD1 4.05Å; Y564-L592 HydrophobicContact CD2-CD2 4.07Å; Y564-L592 HydrophobicContact CD2-CG 3.97Å; Y564-L592 HydrophobicContact CG-CD1 4.38Å; Y564-L592 HydrophobicContact CG-CG 4.43Å; H565-L592 PolarHBondContact O-N 3Å; V567-L592 PolarHBondContact N-O 2.81Å; V567-L592 VanDerWaalsContact N-O 3.1Å; L592-L594 PolarHBondContact O-N 3.33Å; L592-L597 HydrophobicContact CB-CD1 4.35Å; L592-L597 HydrophobicContact CD2-CD2 3.86Å; L592-A626 HydrophobicContact CD1-CB 4.4Å; L592-V630 HydrophobicContact CD1-CG2 4.22Å
593	P	90.4	Very high	83	Confident	22 Å²	22	75.2 Å²	75.2	14%	0.143	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	111.7	179.2	27.1	-32.3	0	0	0	111.7	V567 F591 S595 K596 L597	V567-P593 HydrophobicContact CG2-CB 4.16Å; V567-P593 WeakPolarHBondContact O-CA 3.46Å; F591-P593 WeakPolarHBondContact O-CD 3.37Å; P593-S595 PolarHBondContact O-N 3.39Å; P593-K596 HydrophobicContact CB-CB 4.39Å; P593-K596 HydrophobicContact CG-CB 4.06Å; P593-K596 PolarHBondContact O-N 2.87Å; P593-L597 WeakPolarHBondContact O-CG 3.29Å; P593-L597 PolarHBondContact O-N 3.3Å; P593-L597 VanDerWaalsContact O-N 3.15Å
594	L	87.1	Confident	82.9	Confident	34 Å²	34	75.6 Å²	75.6	18%	0.178	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-35.9	-178.6	-65	175.4	0	0	0	112.7	I566 V567 L592 K596 L597 F623 A626	I566-L594 HydrophobicContact CG2-CD1 4.22Å; I566-L594 HydrophobicContact CG2-CD2 4.06Å; I566-L594 HydrophobicContact CG2-CG 4.13Å; V567-L594 WeakPolarHBondContact O-CG 3.46Å; V567-L594 PolarHBondContact O-N 3.27Å; L592-L594 PolarHBondContact O-N 3.33Å; L594-K596 VanDerWaalsContact C-N 3.26Å; L594-K596 PolarHBondContact O-N 3.24Å; L594-L597 HydrophobicContact CD2-CD1 4.25Å; L594-F623 HydrophobicContact CD1-CD1 3.83Å; L594-F623 HydrophobicContact CD1-CE1 3.92Å; L594-F623 HydrophobicContact CD2-CD1 4.13Å; L594-A626 HydrophobicContact CD2-CB 4.27Å
595	S	84.7	Confident	82.5	Confident	75 Å²	75	69.3 Å²	69.3	52%	0.524	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-22.9	176.2	59.3	0	0	0	0	115.4	E568 P593	E568-S595 PolarHBondContact O-N 2.82Å; P593-S595 PolarHBondContact O-N 3.39Å
596	K	83.4	Confident	81.9	Confident	154 Å²	154	77.5 Å²	77.5	67%	0.67	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.5	-6.6	-172.4	-70.1	-69.2	-172	177.8	0	114.2	P593 L594 D598	P593-K596 HydrophobicContact CB-CB 4.39Å; P593-K596 HydrophobicContact CG-CB 4.06Å; P593-K596 PolarHBondContact O-N 2.87Å; L594-K596 VanDerWaalsContact C-N 3.26Å; L594-K596 PolarHBondContact O-N 3.24Å; K596-D598 PolarHBondContact O-N 2.73Å; K596-D598 VanDerWaalsContact O-N 3.15Å
597	L	85.1	Confident	81.7	Confident	20 Å²	20	76.6 Å²	76.6	11%	0.105	41%	0.407	C	S	.	.			trans	-67.2	113.9	179.2	-77.4	168.6	0	0	0	110.9	L592 P593 L594 K625 A626 H629	L592-L597 HydrophobicContact CB-CD1 4.35Å; L592-L597 HydrophobicContact CD2-CD2 3.86Å; P593-L597 WeakPolarHBondContact O-CG 3.29Å; P593-L597 PolarHBondContact O-N 3.3Å; P593-L597 VanDerWaalsContact O-N 3.15Å; L594-L597 HydrophobicContact CD2-CD1 4.25Å; L597-K625 HydrophobicContact CB-CB 4.16Å; L597-A626 HydrophobicContact CD1-CB 3.77Å; L597-H629 HydrophobicContact CD2-CB 4.39Å
598	D	81	Confident	81.6	Confident	144 Å²	144	82.5 Å²	82.5	77%	0.77	43%	0.429	S	S	*	.			trans	-102.3	127.7	169.2	-166.8	11.3	0	0	0	109.5	K596	K596-D598 PolarHBondContact O-N 2.73Å; K596-D598 VanDerWaalsContact O-N 3.15Å
599	V	79.3	Confident	81.5	Confident	40 Å²	40	79.9 Å²	79.9	24%	0.242	42%	0.42	C	S	.	.			trans	-129.4	123.3	-175.1	-178.6	0	0	0	0	107.8	K625 K628 H629	V599-K625 HydrophobicContact CG2-CB 4.13Å; V599-K625 WeakPolarHBondContact CG2-O 3.49Å; V599-K628 HydrophobicContact CG1-CB 3.55Å; V599-K628 HydrophobicContact CG1-CD 4.4Å; V599-K628 HydrophobicContact CG2-CB 4.47Å; V599-H629 HydrophobicContact CG2-CB 4.17Å
600	R	71	Confident	81.3	Confident	211 Å²	211	79 Å²	79	80%	0.796	42%	0.415	S	S	*	.			trans	-73.6	128.9	175.2	-151.2	177.4	-154.2	-176.1	5.3	109.3	T602	R600-T602 PolarHBondContact O-N 3.49Å
601	D	69.7	Low	81.2	Confident	154 Å²	154	80 Å²	80	82%	0.824	42%	0.418	S	S	*	.			trans	-70.7	113.1	173.9	-154.8	13.2	0	0	0	108.9
602	T	72.1	Confident	81.1	Confident	33 Å²	33	80.3 Å²	80.3	20%	0.202	42%	0.423	C	S	.	.			trans	-107.3	117.6	-177.5	48.8	0	0	0	0	109.3	R600 Y604 M652	R600-T602 PolarHBondContact O-N 3.49Å; T602-Y604 PolarHBondContact O-N 2.93Å; T602-M652 HydrophobicContact CG2-SD 4.46Å
603	A	77.9	Confident	80.9	Confident	98 Å²	98	80 Å²	80	81%	0.81	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-68.2	122.5	170.4	0	0	0	0	0	109.5
604	Y	82.6	Confident	80.7	Confident	73 Å²	73	80 Å²	80	29%	0.286	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-80	138.2	179	-65.2	-77.7	0	0	0	110.8	T602 E606 P612 I614 G632 L635 M652	T602-Y604 PolarHBondContact O-N 2.93Å; Y604-E606 PolarHBondContact O-N 3.49Å; Y604-P612 HydrophobicContact CD1-CB 3.83Å; Y604-P612 HydrophobicContact CD1-CG 4.01Å; Y604-P612 HydrophobicContact CE1-CB 4.13Å; Y604-P612 HydrophobicContact CG-CB 4.13Å; Y604-P612 HydrophobicContact CG-CG 3.94Å; Y604-I614 HydrophobicContact CE2-CG2 4.29Å; Y604-G632 VanDerWaalsContact CE1-O 3.25Å; Y604-G632 WeakPolarHBondContact CE1-O 3.15Å; Y604-G632 WeakPolarHBondContact OH-CA 3.41Å; Y604-G632 PolarHBondContact OH-O 3.46Å; Y604-L635 HydrophobicContact CD1-CD1 4.47Å; Y604-M652 HydrophobicContact CD1-CE 3.74Å; Y604-M652 HydrophobicContact CE1-CE 3.55Å
605	P	78.9	Confident	80.8	Confident	16 Å²	16	82.7 Å²	82.7	10%	0.104	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-60.8	130.3	173.7	-23.7	33.1	0	0	0	112.6	T607 L635 L646 F650	P605-T607 PolarHBondContact O-N 3.33Å; P605-T607 VanDerWaalsContact O-N 3.08Å; P605-L635 HydrophobicContact CG-CD2 4.22Å; P605-L646 HydrophobicContact CG-CD2 4.23Å; P605-F650 HydrophobicContact CB-CD1 4.38Å; P605-F650 HydrophobicContact CB-CD2 4.2Å; P605-F650 HydrophobicContact CB-CE1 4.17Å; P605-F650 HydrophobicContact CB-CE2 3.98Å; P605-F650 HydrophobicContact CB-CG 4.38Å; P605-F650 HydrophobicContact CB-CZ 3.97Å; P605-F650 HydrophobicContact CG-CB 4.1Å; P605-F650 HydrophobicContact CG-CD1 3.67Å; P605-F650 HydrophobicContact CG-CD2 3.76Å; P605-F650 HydrophobicContact CG-CE1 3.96Å; P605-F650 HydrophobicContact CG-CE2 4.04Å; P605-F650 HydrophobicContact CG-CG 3.55Å; P605-F650 HydrophobicContact CG-CZ 4.14Å
606	E	75.8	Confident	80.8	Confident	205 Å²	205	83.5 Å²	83.5	96%	0.958	44%	0.436	S	S	*	.			trans	-84.1	57	173.8	-65.8	179.1	-178.9	0	0	111.2	Y604	Y604-E606 PolarHBondContact O-N 3.49Å
607	T	76.8	Confident	81.1	Confident	57 Å²	57	76.9 Å²	76.9	35%	0.35	41%	0.407	S	S	.	.			trans	-102.4	135.5	176.9	36	0	0	0	0	111	P605 D609 A610	P605-T607 PolarHBondContact O-N 3.33Å; P605-T607 VanDerWaalsContact O-N 3.08Å; T607-D609 PolarHBondContact O-N 2.9Å; T607-A610 PolarHBondContact O-N 2.98Å
608	N	78.6	Confident	81.3	Confident	159 Å²	159	83.7 Å²	83.7	85%	0.85	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-19.4	-179.6	-161	21.8	0	0	0	113.3
609	D	79.8	Confident	81.7	Confident	78 Å²	78	79.3 Å²	79.3	42%	0.417	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	2.3	-175.6	-55.8	-51.1	0	0	0	113.8	T607 R638 V642	T607-D609 PolarHBondContact O-N 2.9Å; D609-R638 PolarHBondContact O-N 3.44Å; D609-R638 IonicContact OD1-NH1 3.21Å; D609-V642 HydrophobicContact CB-CG1 4.06Å
610	A	82.3	Confident	82	Confident	7 Å²	7	79.6 Å²	79.6	6%	0.058	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	138.4	177.6	0	0	0	0	0	112.6	T607 L635 I636 L646	T607-A610 PolarHBondContact O-N 2.98Å; A610-L635 HydrophobicContact CB-CD2 3.78Å; A610-I636 CarbonylContact C-O 3.57Å; A610-I636 WeakPolarHBondContact CA-O 3.38Å; A610-L646 HydrophobicContact CB-CD1 3.42Å; A610-L646 VanDerWaalsContact CB-CD1 3.42Å
611	I	87.7	Confident	82.7	Confident	67 Å²	67	74.6 Å²	74.6	34%	0.344	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	137.7	178.7	59.9	-179.6	0	0	0	110.7	F550 M613 K616 I636	F550-I611 HydrophobicContact CE1-CD1 4.24Å; F550-I611 HydrophobicContact CZ-CD1 4.26Å; I611-M613 PolarHBondContact O-N 3.45Å; I611-K616 HydrophobicContact CD1-CG 4.46Å; I611-I636 HydrophobicContact CD1-CB 4.41Å; I611-I636 HydrophobicContact CD1-CD1 4.5Å; I611-I636 HydrophobicContact CG1-CB 3.76Å; I611-I636 HydrophobicContact CG1-CD1 4.41Å; I611-I636 HydrophobicContact CG1-CG2 4.32Å; I611-I636 PolarHBondContact N-O 3.32Å; I611-I636 PolarHBondContact O-N 2.9Å
612	P	88.1	Confident	83.4	Confident	32 Å²	32	73.5 Å²	73.5	21%	0.208	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	127	173.2	-22.2	33.9	0	0	0	111.2	Y604 I614 S615	Y604-P612 HydrophobicContact CD1-CB 3.83Å; Y604-P612 HydrophobicContact CD1-CG 4.01Å; Y604-P612 HydrophobicContact CE1-CB 4.13Å; Y604-P612 HydrophobicContact CG-CB 4.13Å; Y604-P612 HydrophobicContact CG-CG 3.94Å; P612-I614 VanDerWaalsContact C-N 3.25Å; P612-I614 HydrophobicContact CB-CG2 4.28Å; P612-I614 PolarHBondContact O-N 3.11Å; P612-S615 WeakPolarHBondContact O-CB 3.41Å; P612-S615 PolarHBondContact O-N 3.35Å
613	M	86.6	Confident	84.2	Confident	1 Å²	1	72.8 Å²	72.8	1%	0.005	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-58.7	-39.6	-179.7	-178.7	172.6	-78.1	0	0	111.8	C553 V554 T557 I611 S615 K616 L617 F631 T634 I636 I655	C553-M613 HydrophobicContact CB-CE 4.1Å; V554-M613 HydrophobicContact CG2-CE 4.34Å; V554-M613 HydrophobicContact CG2-CG 4.39Å; V554-M613 HydrophobicContact CG2-SD 4.14Å; T557-M613 HydrophobicContact CG2-CE 4.29Å; T557-M613 HydrophobicContact CG2-SD 3.87Å; T557-M613 WeakPolarHBondContact OG1-CE 3.48Å; I611-M613 PolarHBondContact O-N 3.45Å; M613-S615 PolarHBondContact O-N 3.5Å; M613-S615 VanDerWaalsContact O-N 3.16Å; M613-K616 PolarHBondContact O-N 2.51Å; M613-L617 HydrophobicContact CG-CD1 4.3Å; M613-F631 HydrophobicContact SD-CD1 3.9Å; M613-T634 WeakPolarHBondContact CB-O 3.49Å; M613-T634 HydrophobicContact CE-CG2 4.06Å; M613-T634 PolarHBondContact N-O 2.82Å; M613-T634 HydrophobicContact SD-CG2 4.48Å; M613-I636 HydrophobicContact CB-CD1 4.21Å; M613-I636 HydrophobicContact CB-CG1 4.19Å; M613-I636 HydrophobicContact CE-CD1 4.11Å; M613-I636 HydrophobicContact CE-CG1 3.9Å; M613-I636 HydrophobicContact CG-CD1 4.29Å; M613-I655 HydrophobicContact CE-CG2 3.94Å
614	I	87.4	Confident	84.6	Confident	22 Å²	22	70.4 Å²	70.4	11%	0.113	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-59.5	-28.6	-178.4	-160.5	166.5	0	0	0	113.4	Y604 P612 K616 L617 Y619 K628	Y604-I614 HydrophobicContact CE2-CG2 4.29Å; P612-I614 VanDerWaalsContact C-N 3.25Å; P612-I614 HydrophobicContact CB-CG2 4.28Å; P612-I614 PolarHBondContact O-N 3.11Å; I614-K616 PolarHBondContact O-N 3.47Å; I614-L617 PolarHBondContact O-N 3.17Å; I614-Y619 HydrophobicContact CD1-CE1 4.49Å; I614-Y619 WeakPolarHBondContact CD1-OH 3.21Å; I614-Y619 HydrophobicContact CG1-CE1 3.89Å; I614-K628 HydrophobicContact CD1-CB 4.3Å; I614-K628 HydrophobicContact CD1-CG 3.42Å; I614-K628 VanDerWaalsContact CD1-CG 3.42Å
615	S	87.3	Confident	84.8	Confident	91 Å²	91	72.7 Å²	72.7	64%	0.636	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-71.2	-17.4	179.3	-178.1	0	0	0	0	113.3	P612 M613	P612-S615 WeakPolarHBondContact O-CB 3.41Å; P612-S615 PolarHBondContact O-N 3.35Å; M613-S615 PolarHBondContact O-N 3.5Å; M613-S615 VanDerWaalsContact O-N 3.16Å
616	K	86.8	Confident	85.2	Confident	92 Å²	92	72 Å²	72	40%	0.4	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-103.7	1.4	-179.1	-62.9	-60.6	-174.3	175.8	0	113.1	F550 I611 M613 I614	F550-K616 HydrophobicContact CD2-CB 4.41Å; F550-K616 HydrophobicContact CE2-CB 4.41Å; F550-K616 HydrophobicContact CE2-CD 4.46Å; F550-K616 HydrophobicContact CE2-CG 4.26Å; I611-K616 HydrophobicContact CD1-CG 4.46Å; M613-K616 PolarHBondContact O-N 2.51Å; I614-K616 PolarHBondContact O-N 3.47Å
617	L	88.6	Confident	85.9	Confident	14 Å²	14	62.3 Å²	62.3	7%	0.073	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	133.1	176.9	-59.5	177.5	0	0	0	110.1	F544 C546 V554 M613 I614 Y619 F631	F544-L617 HydrophobicContact CD2-CD2 3.88Å; F544-L617 HydrophobicContact CE2-CD2 3.92Å; C546-L617 HydrophobicContact CB-CD2 3.75Å; V554-L617 HydrophobicContact CG1-CD2 4.33Å; V554-L617 HydrophobicContact CG2-CD2 3.9Å; M613-L617 HydrophobicContact CG-CD1 4.3Å; I614-L617 PolarHBondContact O-N 3.17Å; L617-Y619 HydrophobicContact CB-CD1 4.14Å; L617-Y619 HydrophobicContact CB-CE1 4.49Å; L617-F631 HydrophobicContact CD1-CB 3.81Å; L617-F631 HydrophobicContact CD1-CD1 3.93Å; L617-F631 HydrophobicContact CD1-CD2 3.71Å; L617-F631 HydrophobicContact CD1-CE1 4.41Å; L617-F631 HydrophobicContact CD1-CE2 4.21Å; L617-F631 HydrophobicContact CD1-CG 3.54Å
618	R	89.3	Confident	86.4	Confident	163 Å²	163	63 Å²	63	62%	0.615	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	117.1	173	-172.1	177.5	78.9	-179	11.1	109.3	F544 E545	F544-R618 CarbonylContact C-O 3.6Å; F544-R618 WeakPolarHBondContact CA-O 3.37Å; F544-R618 WeakPolarHBondContact CB-O 3.2Å; E545-R618 HydrophobicContact CB-CB 4.44Å; E545-R618 PolarHBondContact N-O 3.4Å; E545-R618 PolarHBondContact O-N 2.84Å; E545-R618 IonicContact OE1-CZ 2.74Å; E545-R618 IonicContact OE1-NE 3.7Å; E545-R618 IonicContact OE1-NH2 2.66Å; E545-R618 PolarHBondContact OE1-NH2 3.21Å; E545-R618 IonicContact OE2-CZ 2.76Å; E545-R618 VanDerWaalsContact OE2-CZ 3.28Å; E545-R618 IonicContact OE2-NE 2.81Å; E545-R618 IonicContact OE2-NH2 2.94Å; E545-R618 PolarHBondContact OE2-NH2 3.26Å
619	Y	89	Confident	86.8	Confident	53 Å²	53	59.5 Å²	59.5	21%	0.208	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	164.9	-179.7	58.4	-95.1	0	0	0	111.7	I614 L617 D624 F627	I614-Y619 HydrophobicContact CD1-CE1 4.49Å; I614-Y619 WeakPolarHBondContact CD1-OH 3.21Å; I614-Y619 HydrophobicContact CG1-CE1 3.89Å; L617-Y619 HydrophobicContact CB-CD1 4.14Å; L617-Y619 HydrophobicContact CB-CE1 4.49Å; Y619-D624 HydrophobicContact CE2-CB 4.18Å; Y619-D624 WeakPolarHBondContact CE2-OD1 3.42Å; Y619-D624 PolarHBondContact OH-OD1 3.26Å; Y619-F627 HydrophobicContact CD1-CB 4.03Å; Y619-F627 HydrophobicContact CD1-CD1 4.18Å; Y619-F627 HydrophobicContact CD1-CD2 4.37Å; Y619-F627 AromaticContact CD1-CG 3.91Å; Y619-F627 HydrophobicContact CD1-CG 3.91Å; Y619-F627 HydrophobicContact CD2-CB 3.97Å; Y619-F627 AromaticContact CD2-CD2 3.59Å; Y619-F627 HydrophobicContact CD2-CD2 3.59Å; Y619-F627 HydrophobicContact CD2-CE2 4.37Å; Y619-F627 AromaticContact CD2-CG 3.85Å; Y619-F627 HydrophobicContact CD2-CG 3.85Å; Y619-F627 HydrophobicContact CE1-CB 3.98Å; Y619-F627 HydrophobicContact CE1-CG 4.38Å; Y619-F627 HydrophobicContact CE2-CB 3.95Å; Y619-F627 HydrophobicContact CE2-CD2 4.35Å; Y619-F627 HydrophobicContact CE2-CG 4.34Å; Y619-F627 HydrophobicContact CG-CB 4.02Å; Y619-F627 HydrophobicContact CG-CD1 4.14Å; Y619-F627 AromaticContact CG-CD2 3.61Å; Y619-F627 HydrophobicContact CG-CD2 3.61Å; Y619-F627 HydrophobicContact CG-CE2 4.15Å; Y619-F627 AromaticContact CG-CG 3.62Å; Y619-F627 HydrophobicContact CG-CG 3.62Å
620	S	87	Confident	87.2	Confident	46 Å²	46	56 Å²	56	32%	0.322	29%	0.285	S	S	.	.			trans	-71.3	133.9	178.9	178.7	0	0	0	0	111.8	N622 F623	S620-N622 PolarHBondContact O-N 3.29Å; S620-N622 VanDerWaalsContact O-N 3.1Å; S620-F623 PolarHBondContact O-N 3.4Å
621	P	83.9	Confident	87.5	Confident	106 Å²	106	55.7 Å²	55.7	69%	0.688	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-56.3	-29.1	179.1	-24.5	32.8	0	0	0	114.1	F623 D624	P621-F623 PolarHBondContact O-N 2.94Å; P621-F623 VanDerWaalsContact O-N 3.15Å; P621-D624 VanDerWaalsContact O-CB 3.31Å; P621-D624 WeakPolarHBondContact O-CB 3.14Å; P621-D624 PolarHBondContact O-N 3.29Å; P621-D624 VanDerWaalsContact O-N 3.15Å
622	N	85.9	Confident	87.2	Confident	131 Å²	131	52.6 Å²	52.6	70%	0.701	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-62.2	-23.2	178.3	-65.9	-4.7	0	0	0	112.6	S620	S620-N622 PolarHBondContact O-N 3.29Å; S620-N622 VanDerWaalsContact O-N 3.1Å
623	F	88.6	Confident	87.1	Confident	17 Å²	17	56.3 Å²	56.3	8%	0.075	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-105	13	-178.2	-52.5	-34.4	0	0	0	112.8	H537 N543 I566 L594 S620 P621 K625 A626 F627	H537-F623 HydrophobicContact CB-CE1 4.26Å; H537-F623 HydrophobicContact CB-CZ 3.81Å; H537-F623 AromaticContact CD2-CE1 3.91Å; H537-F623 AromaticContact CG-CE1 3.97Å; H537-F623 AromaticContact CG-CZ 3.79Å; N543-F623 HydrophobicContact CB-CD2 4.24Å; N543-F623 HydrophobicContact CB-CE2 4.35Å; I566-F623 HydrophobicContact CD1-CD2 4.26Å; I566-F623 HydrophobicContact CD1-CG 4.32Å; I566-F623 HydrophobicContact CG2-CD1 3.9Å; I566-F623 HydrophobicContact CG2-CE1 3.99Å; I566-F623 HydrophobicContact CG2-CG 4.41Å; L594-F623 HydrophobicContact CD1-CD1 3.83Å; L594-F623 HydrophobicContact CD1-CE1 3.92Å; L594-F623 HydrophobicContact CD2-CD1 4.13Å; S620-F623 PolarHBondContact O-N 3.4Å; P621-F623 PolarHBondContact O-N 2.94Å; P621-F623 VanDerWaalsContact O-N 3.15Å; F623-K625 VanDerWaalsContact C-N 3.27Å; F623-K625 PolarHBondContact O-N 2.96Å; F623-A626 WeakPolarHBondContact O-CA 3.39Å; F623-A626 WeakPolarHBondContact O-CB 3.07Å; F623-A626 PolarHBondContact O-N 3.19Å; F623-F627 HydrophobicContact CB-CD2 3.74Å; F623-F627 HydrophobicContact CB-CE2 3.73Å; F623-F627 HydrophobicContact CD2-CE2 4.38Å; F623-F627 WeakPolarHBondContact O-CD2 3.33Å; F623-F627 PolarHBondContact O-N 3.47Å
624	D	86	Confident	87.2	Confident	48 Å²	48	56.5 Å²	56.5	26%	0.257	28%	0.281	S	S	.	.	H	α-helix	trans	-54.7	-40.6	-174.6	-173.2	54.1	0	0	0	113.2	Y619 P621 A626 F627 K628	Y619-D624 HydrophobicContact CE2-CB 4.18Å; Y619-D624 WeakPolarHBondContact CE2-OD1 3.42Å; Y619-D624 PolarHBondContact OH-OD1 3.26Å; P621-D624 VanDerWaalsContact O-CB 3.31Å; P621-D624 WeakPolarHBondContact O-CB 3.14Å; P621-D624 PolarHBondContact O-N 3.29Å; P621-D624 VanDerWaalsContact O-N 3.15Å; D624-A626 VanDerWaalsContact C-N 3.34Å; D624-A626 PolarHBondContact O-N 3.03Å; D624-F627 PolarHBondContact O-N 2.96Å; D624-K628 WeakPolarHBondContact O-CB 3.37Å; D624-K628 WeakPolarHBondContact O-CG 3.35Å; D624-K628 PolarHBondContact O-N 3.21Å; D624-K628 WeakPolarHBondContact OD1-CE 3.36Å; D624-K628 IonicContact OD1-NZ 3.86Å; D624-K628 WeakPolarHBondContact OD2-CE 3.31Å; D624-K628 IonicContact OD2-NZ 3.77Å; D624-K628 PolarHBondContact OD2-NZ 3.37Å
625	K	86.5	Confident	87.3	Confident	122 Å²	122	55.5 Å²	55.5	53%	0.53	28%	0.276	S	S	.	.	H	α-helix	trans	-62.4	-39.5	174.8	-65.5	-175.5	178.3	-175.3	0	112.5	L597 V599 F623 H629	L597-K625 HydrophobicContact CB-CB 4.16Å; V599-K625 HydrophobicContact CG2-CB 4.13Å; V599-K625 WeakPolarHBondContact CG2-O 3.49Å; F623-K625 VanDerWaalsContact C-N 3.27Å; F623-K625 PolarHBondContact O-N 2.96Å; K625-H629 WeakPolarHBondContact O-CB 3.29Å; K625-H629 PolarHBondContact O-N 3.43Å
626	A	88.2	Confident	87.3	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.008	25%	0.247	C	C	.	.	H	α-helix	trans	-67.9	-45	178.3	0	0	0	0	0	111.1	L592 L594 L597 F623 D624 H629 V630	L592-A626 HydrophobicContact CD1-CB 4.4Å; L594-A626 HydrophobicContact CD2-CB 4.27Å; L597-A626 HydrophobicContact CD1-CB 3.77Å; F623-A626 WeakPolarHBondContact O-CA 3.39Å; F623-A626 WeakPolarHBondContact O-CB 3.07Å; F623-A626 PolarHBondContact O-N 3.19Å; D624-A626 VanDerWaalsContact C-N 3.34Å; D624-A626 PolarHBondContact O-N 3.03Å; A626-H629 WeakPolarHBondContact O-CB 3.49Å; A626-H629 PolarHBondContact O-N 3.41Å; A626-V630 WeakPolarHBondContact O-CG2 3.3Å; A626-V630 PolarHBondContact O-N 2.92Å; A626-V630 VanDerWaalsContact O-N 3.09Å
627	F	89.6	Confident	87.3	Confident	1 Å²	1	47.1 Å²	47.1	0%	0.004	23%	0.228	C	C	.	.	H	α-helix	trans	-69.2	-39.3	179.9	-78.4	-77.2	0	0	0	113	V540 N543 F544 I566 Y619 F623 D624 H629 V630 F631	V540-F627 HydrophobicContact CG1-CE1 3.74Å; V540-F627 HydrophobicContact CG1-CZ 4.1Å; N543-F627 HydrophobicContact CB-CE2 4.34Å; N543-F627 HydrophobicContact CB-CZ 4.05Å; N543-F627 WeakPolarHBondContact O-CZ 3.46Å; F544-F627 HydrophobicContact CB-CD1 4.32Å; F544-F627 HydrophobicContact CB-CE1 3.44Å; F544-F627 VanDerWaalsContact CB-CE1 3.44Å; F544-F627 HydrophobicContact CB-CZ 3.68Å; F544-F627 AromaticContact CD1-CE1 3.59Å; F544-F627 HydrophobicContact CD1-CE1 3.59Å; F544-F627 HydrophobicContact CD1-CZ 4.11Å; F544-F627 AromaticContact CG-CE1 3.71Å; F544-F627 HydrophobicContact CG-CE1 3.71Å; F544-F627 HydrophobicContact CG-CZ 4.29Å; I566-F627 HydrophobicContact CD1-CE2 4.41Å; Y619-F627 HydrophobicContact CD1-CB 4.03Å; Y619-F627 HydrophobicContact CD1-CD1 4.18Å; Y619-F627 HydrophobicContact CD1-CD2 4.37Å; Y619-F627 AromaticContact CD1-CG 3.91Å; Y619-F627 HydrophobicContact CD1-CG 3.91Å; Y619-F627 HydrophobicContact CD2-CB 3.97Å; Y619-F627 AromaticContact CD2-CD2 3.59Å; Y619-F627 HydrophobicContact CD2-CD2 3.59Å; Y619-F627 HydrophobicContact CD2-CE2 4.37Å; Y619-F627 AromaticContact CD2-CG 3.85Å; Y619-F627 HydrophobicContact CD2-CG 3.85Å; Y619-F627 HydrophobicContact CE1-CB 3.98Å; Y619-F627 HydrophobicContact CE1-CG 4.38Å; Y619-F627 HydrophobicContact CE2-CB 3.95Å; Y619-F627 HydrophobicContact CE2-CD2 4.35Å; Y619-F627 HydrophobicContact CE2-CG 4.34Å; Y619-F627 HydrophobicContact CG-CB 4.02Å; Y619-F627 HydrophobicContact CG-CD1 4.14Å; Y619-F627 AromaticContact CG-CD2 3.61Å; Y619-F627 HydrophobicContact CG-CD2 3.61Å; Y619-F627 HydrophobicContact CG-CE2 4.15Å; Y619-F627 AromaticContact CG-CG 3.62Å; Y619-F627 HydrophobicContact CG-CG 3.62Å; F623-F627 HydrophobicContact CB-CD2 3.74Å; F623-F627 HydrophobicContact CB-CE2 3.73Å; F623-F627 HydrophobicContact CD2-CE2 4.38Å; F623-F627 WeakPolarHBondContact O-CD2 3.33Å; F623-F627 PolarHBondContact O-N 3.47Å; D624-F627 PolarHBondContact O-N 2.96Å; F627-H629 VanDerWaalsContact C-N 3.3Å; F627-H629 PolarHBondContact O-N 3Å; F627-V630 PolarHBondContact O-N 3.31Å; F627-F631 AromaticContact CD1-CD2 3.77Å; F627-F631 HydrophobicContact CD1-CD2 3.77Å; F627-F631 AromaticContact CD1-CE2 3.71Å; F627-F631 HydrophobicContact CD1-CE2 3.71Å; F627-F631 HydrophobicContact CE1-CD2 4.47Å; F627-F631 AromaticContact CE1-CE2 3.95Å; F627-F631 HydrophobicContact CE1-CE2 3.95Å; F627-F631 PolarHBondContact O-N 3.46Å
628	K	87.5	Confident	87	Confident	71 Å²	71	53.4 Å²	53.4	31%	0.309	25%	0.251	S	S	.	.	H	α-helix	trans	-64.1	-34.4	171.9	-73.1	175.3	172.1	165.8	0	112.6	V599 I614 D624 G632	V599-K628 HydrophobicContact CG1-CB 3.55Å; V599-K628 HydrophobicContact CG1-CD 4.4Å; V599-K628 HydrophobicContact CG2-CB 4.47Å; I614-K628 HydrophobicContact CD1-CB 4.3Å; I614-K628 HydrophobicContact CD1-CG 3.42Å; I614-K628 VanDerWaalsContact CD1-CG 3.42Å; D624-K628 WeakPolarHBondContact O-CB 3.37Å; D624-K628 WeakPolarHBondContact O-CG 3.35Å; D624-K628 PolarHBondContact O-N 3.21Å; D624-K628 WeakPolarHBondContact OD1-CE 3.36Å; D624-K628 IonicContact OD1-NZ 3.86Å; D624-K628 WeakPolarHBondContact OD2-CE 3.31Å; D624-K628 IonicContact OD2-NZ 3.77Å; D624-K628 PolarHBondContact OD2-NZ 3.37Å; K628-G632 WeakPolarHBondContact O-CA 3.44Å; K628-G632 PolarHBondContact O-N 2.97Å
629	H	87.8	Confident	86.7	Confident	87 Å²	87	47.6 Å²	47.6	40%	0.403	24%	0.236	S	C	.	.	H	α-helix	trans	-65.3	-41.5	174.5	-173.2	86.8	0	0	0	112.3	L597 V599 K625 A626 F627	L597-H629 HydrophobicContact CD2-CB 4.39Å; V599-H629 HydrophobicContact CG2-CB 4.17Å; K625-H629 WeakPolarHBondContact O-CB 3.29Å; K625-H629 PolarHBondContact O-N 3.43Å; A626-H629 WeakPolarHBondContact O-CB 3.49Å; A626-H629 PolarHBondContact O-N 3.41Å; F627-H629 VanDerWaalsContact C-N 3.3Å; F627-H629 PolarHBondContact O-N 3Å
630	V	87.1	Confident	86.3	Confident	4 Å²	4	48.8 Å²	48.8	2%	0.024	24%	0.244	C	C	.	.	H	α-helix	trans	-80.7	-46.5	-176.2	178.6	0	0	0	0	112.3	A558 R561 L592 A626 F627	A558-V630 HydrophobicContact CB-CG1 4.09Å; R561-V630 HydrophobicContact CB-CG1 3.88Å; L592-V630 HydrophobicContact CD1-CG2 4.22Å; A626-V630 WeakPolarHBondContact O-CG2 3.3Å; A626-V630 PolarHBondContact O-N 2.92Å; A626-V630 VanDerWaalsContact O-N 3.09Å; F627-V630 PolarHBondContact O-N 3.31Å
631	F	88.2	Confident	86	Confident	1 Å²	1	54.1 Å²	54.1	0%	0.004	26%	0.264	C	S	.	.	H	α-helix	trans	-115	-10.8	-169.9	-57.6	-76.5	0	0	0	114.4	V540 F544 V554 A558 L562 M613 L617 F627 K633 T634	V540-F631 HydrophobicContact CG1-CE2 4.13Å; F544-F631 HydrophobicContact CE1-CE2 4.49Å; F544-F631 HydrophobicContact CE1-CZ 4.18Å; F544-F631 HydrophobicContact CZ-CZ 4.09Å; V554-F631 HydrophobicContact CG1-CD1 4.41Å; V554-F631 HydrophobicContact CG1-CE1 3.58Å; V554-F631 HydrophobicContact CG1-CZ 4.06Å; A558-F631 HydrophobicContact CB-CE1 3.58Å; A558-F631 HydrophobicContact CB-CZ 3.9Å; L562-F631 HydrophobicContact CD2-CZ 3.97Å; M613-F631 HydrophobicContact SD-CD1 3.9Å; L617-F631 HydrophobicContact CD1-CB 3.81Å; L617-F631 HydrophobicContact CD1-CD1 3.93Å; L617-F631 HydrophobicContact CD1-CD2 3.71Å; L617-F631 HydrophobicContact CD1-CE1 4.41Å; L617-F631 HydrophobicContact CD1-CE2 4.21Å; L617-F631 HydrophobicContact CD1-CG 3.54Å; F627-F631 AromaticContact CD1-CD2 3.77Å; F627-F631 HydrophobicContact CD1-CD2 3.77Å; F627-F631 AromaticContact CD1-CE2 3.71Å; F627-F631 HydrophobicContact CD1-CE2 3.71Å; F627-F631 HydrophobicContact CE1-CD2 4.47Å; F627-F631 AromaticContact CE1-CE2 3.95Å; F627-F631 HydrophobicContact CE1-CE2 3.95Å; F627-F631 PolarHBondContact O-N 3.46Å; F631-K633 PolarHBondContact O-N 3.46Å; F631-K633 VanDerWaalsContact O-N 3.15Å; F631-T634 PolarHBondContact O-N 3.37Å
632	G	83	Confident	86	Confident	2 Å²	2	50.7 Å²	50.7	2%	0.021	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-13.2	-170.4	0	0	0	0	0	115.3	Y604 K628 M652	Y604-G632 VanDerWaalsContact CE1-O 3.25Å; Y604-G632 WeakPolarHBondContact CE1-O 3.15Å; Y604-G632 WeakPolarHBondContact OH-CA 3.41Å; Y604-G632 PolarHBondContact OH-O 3.46Å; K628-G632 WeakPolarHBondContact O-CA 3.44Å; K628-G632 PolarHBondContact O-N 2.97Å; G632-M652 WeakPolarHBondContact O-CE 3.14Å
633	K	85	Confident	85.8	Confident	110 Å²	110	44.5 Å²	44.5	48%	0.478	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	8.4	-178.1	-70.6	-172.7	178	180	0	115	F631 D653	F631-K633 PolarHBondContact O-N 3.46Å; F631-K633 VanDerWaalsContact O-N 3.15Å; K633-D653 PolarHBondContact O-N 3.18Å
634	T	87.9	Confident	85.5	Confident	5 Å²	5	45.9 Å²	45.9	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	130.5	-174.3	-50.6	0	0	0	0	112	T557 M613 F631 D653 I655	T557-T634 HydrophobicContact CG2-CG2 3.8Å; T557-T634 WeakPolarHBondContact CG2-OG1 3.47Å; M613-T634 WeakPolarHBondContact CB-O 3.49Å; M613-T634 HydrophobicContact CE-CG2 4.06Å; M613-T634 PolarHBondContact N-O 2.82Å; M613-T634 HydrophobicContact SD-CG2 4.48Å; F631-T634 PolarHBondContact O-N 3.37Å; T634-D653 CarbonylContact C-O 3.52Å; T634-D653 VanDerWaalsContact CA-O 3.28Å; T634-D653 WeakPolarHBondContact CA-O 3.42Å; T634-D653 HydrophobicContact CG2-CB 4.48Å; T634-I655 HydrophobicContact CG2-CG2 4.01Å
635	L	89.4	Confident	85.4	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	145	169.7	-82.6	89.9	0	0	0	110.9	Y604 P605 A610 L646 M652 D653 C654 I655	Y604-L635 HydrophobicContact CD1-CD1 4.47Å; P605-L635 HydrophobicContact CG-CD2 4.22Å; A610-L635 HydrophobicContact CB-CD2 3.78Å; L635-L646 HydrophobicContact CD2-CD1 4.38Å; L635-L646 HydrophobicContact CD2-CD2 4Å; L635-M652 HydrophobicContact CD1-CB 3.59Å; L635-M652 HydrophobicContact CD1-CE 3.52Å; L635-M652 HydrophobicContact CD1-CG 3.77Å; L635-D653 PolarHBondContact N-O 3.39Å; L635-C654 CarbonylContact O-C 3.41Å; L635-C654 WeakPolarHBondContact O-CA 3.37Å; L635-I655 PolarHBondContact O-N 3.5Å
636	I	88.8	Confident	85.3	Confident	6 Å²	6	44.9 Å²	44.9	3%	0.031	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	117.7	172.2	-54.6	172.4	0	0	0	107.2	F550 A610 I611 M613 I655 L657	F550-I636 HydrophobicContact CD1-CD1 3.85Å; F550-I636 HydrophobicContact CE1-CD1 4.2Å; F550-I636 HydrophobicContact CG-CD1 4.48Å; A610-I636 CarbonylContact C-O 3.57Å; A610-I636 WeakPolarHBondContact CA-O 3.38Å; I611-I636 HydrophobicContact CD1-CB 4.41Å; I611-I636 HydrophobicContact CD1-CD1 4.5Å; I611-I636 HydrophobicContact CG1-CB 3.76Å; I611-I636 HydrophobicContact CG1-CD1 4.41Å; I611-I636 HydrophobicContact CG1-CG2 4.32Å; I611-I636 PolarHBondContact N-O 3.32Å; I611-I636 PolarHBondContact O-N 2.9Å; M613-I636 HydrophobicContact CB-CD1 4.21Å; M613-I636 HydrophobicContact CB-CG1 4.19Å; M613-I636 HydrophobicContact CE-CD1 4.11Å; M613-I636 HydrophobicContact CE-CG1 3.9Å; M613-I636 HydrophobicContact CG-CD1 4.29Å; I636-I655 CarbonylContact C-O 3.58Å; I636-I655 WeakPolarHBondContact CA-O 3.4Å; I636-I655 HydrophobicContact CB-CG2 4.47Å; I636-I655 HydrophobicContact CG1-CG2 4.03Å; I636-L657 HydrophobicContact CG2-CB 4.49Å
637	C	86.9	Confident	85.1	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.014	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	152.7	-179	-63.2	0	0	0	0	110.7	V642 I655 T656 L657	C637-V642 HydrophobicContact CB-CB 4.46Å; C637-V642 HydrophobicContact CB-CG1 4.22Å; C637-I655 PolarHBondContact N-O 3.4Å; C637-T656 WeakPolarHBondContact O-CA 3.06Å; C637-L657 PolarHBondContact O-N 2.87Å
638	R	82.3	Confident	84.7	Confident	145 Å²	145	55.8 Å²	55.8	55%	0.547	26%	0.256	S	S	.	.	S	Bend	trans	-64.4	-49.3	177.4	-176.7	177.9	-81.7	158.7	-4	112.5	D609	D609-R638 PolarHBondContact O-N 3.44Å; D609-R638 IonicContact OD1-NH1 3.21Å
639	S	81.6	Confident	84.5	Confident	42 Å²	42	55.8 Å²	55.8	29%	0.294	27%	0.269	S	S	.	.	S	Bend	trans	-131.9	159.2	-170.9	-47.8	0	0	0	0	112.4	E641 V642 S643	S639-E641 VanDerWaalsContact C-N 3.31Å; S639-E641 PolarHBondContact O-N 2.94Å; S639-V642 PolarHBondContact O-N 3.49Å; S639-S643 PolarHBondContact O-N 2.8Å
640	M	80.3	Confident	84	Confident	77 Å²	77	55.9 Å²	55.9	38%	0.379	27%	0.269	S	S	.	.	H	α-helix	trans	-60.4	-39.5	-178.8	-168.5	-170.9	-166.2	0	0	112.3	V642 S643 T644 T656	M640-V642 PolarHBondContact O-N 3.37Å; M640-S643 WeakPolarHBondContact O-CB 3.25Å; M640-S643 PolarHBondContact O-N 3.29Å; M640-T644 WeakPolarHBondContact O-CG2 3.39Å; M640-T644 PolarHBondContact O-N 2.94Å; M640-T644 PolarHBondContact O-OG1 2.71Å; M640-T656 HydrophobicContact CB-CG2 4.32Å
641	E	82	Confident	83.8	Confident	159 Å²	159	61.1 Å²	61.1	74%	0.743	30%	0.3	S	S	*	.	H	α-helix	trans	-58.9	-48.4	177.2	-62.8	179.8	173.1	0	0	111.1	S639 S643 T644 Q645	S639-E641 VanDerWaalsContact C-N 3.31Å; S639-E641 PolarHBondContact O-N 2.94Å; E641-S643 VanDerWaalsContact C-N 3.33Å; E641-S643 PolarHBondContact O-N 2.87Å; E641-T644 PolarHBondContact O-N 3.03Å; E641-T644 PolarHBondContact O-OG1 3.42Å; E641-Q645 WeakPolarHBondContact O-CB 3.37Å; E641-Q645 PolarHBondContact O-N 2.65Å
642	V	83.9	Confident	83.7	Confident	34 Å²	34	61.5 Å²	61.5	21%	0.206	30%	0.303	C	S	.	.	H	α-helix	trans	-61	-43.3	175.6	-178.3	0	0	0	0	110.6	D609 C637 S639 M640 T644 Q645 L646	D609-V642 HydrophobicContact CB-CG1 4.06Å; C637-V642 HydrophobicContact CB-CB 4.46Å; C637-V642 HydrophobicContact CB-CG1 4.22Å; S639-V642 PolarHBondContact O-N 3.49Å; M640-V642 PolarHBondContact O-N 3.37Å; V642-T644 PolarHBondContact O-N 3.33Å; V642-Q645 PolarHBondContact O-N 2.74Å; V642-L646 WeakPolarHBondContact O-CB 3.48Å; V642-L646 PolarHBondContact O-N 3.22Å
643	S	81.6	Confident	83.9	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-58.3	-45.2	176.9	-174.4	0	0	0	0	111.9	S639 M640 E641 A647 C654 V664	S639-S643 PolarHBondContact O-N 2.8Å; M640-S643 WeakPolarHBondContact O-CB 3.25Å; M640-S643 PolarHBondContact O-N 3.29Å; E641-S643 VanDerWaalsContact C-N 3.33Å; E641-S643 PolarHBondContact O-N 2.87Å; S643-A647 WeakPolarHBondContact O-CB 3.28Å; S643-A647 PolarHBondContact O-N 3.32Å; S643-C654 WeakPolarHBondContact OG-CB 3.47Å; S643-C654 PolarHBondContact OG-O 3.26Å; S643-V664 VanDerWaalsContact OG-CG2 3.22Å; S643-V664 WeakPolarHBondContact OG-CG2 3.48Å
644	T	81.1	Confident	84.1	Confident	46 Å²	46	57.5 Å²	57.5	28%	0.282	29%	0.286	S	S	.	.	H	α-helix	trans	-69.1	-37.1	177.4	62.6	0	0	0	0	113.5	M640 E641 V642 R648 V664	M640-T644 WeakPolarHBondContact O-CG2 3.39Å; M640-T644 PolarHBondContact O-N 2.94Å; M640-T644 PolarHBondContact O-OG1 2.71Å; E641-T644 PolarHBondContact O-N 3.03Å; E641-T644 PolarHBondContact O-OG1 3.42Å; V642-T644 PolarHBondContact O-N 3.33Å; T644-R648 WeakPolarHBondContact O-CB 3.46Å; T644-R648 VanDerWaalsContact O-CG 3.26Å; T644-R648 WeakPolarHBondContact O-CG 3.27Å; T644-R648 PolarHBondContact O-N 3.24Å; T644-V664 HydrophobicContact CG2-CG1 4.37Å; T644-V664 HydrophobicContact CG2-CG2 3.91Å
645	Q	83.9	Confident	84.1	Confident	139 Å²	139	57.2 Å²	57.2	65%	0.65	28%	0.284	S	S	*	.	H	α-helix	trans	-67.7	-46.2	177.4	-176.9	-179.9	-1.6	0	0	110.9	E641 V642 R648 A649	E641-Q645 WeakPolarHBondContact O-CB 3.37Å; E641-Q645 PolarHBondContact O-N 2.65Å; V642-Q645 PolarHBondContact O-N 2.74Å; Q645-R648 PolarHBondContact O-N 2.88Å; Q645-A649 WeakPolarHBondContact O-CB 3.45Å; Q645-A649 PolarHBondContact O-N 3.41Å
646	L	84.9	Confident	83.9	Confident	10 Å²	10	57.3 Å²	57.3	5%	0.052	29%	0.285	C	S	.	.	H	α-helix	trans	-72.8	-39.7	-175.2	-150.7	161.3	0	0	0	111.1	P605 A610 L635 V642 R648 A649 F650	P605-L646 HydrophobicContact CG-CD2 4.23Å; A610-L646 HydrophobicContact CB-CD1 3.42Å; A610-L646 VanDerWaalsContact CB-CD1 3.42Å; L635-L646 HydrophobicContact CD2-CD1 4.38Å; L635-L646 HydrophobicContact CD2-CD2 4Å; V642-L646 WeakPolarHBondContact O-CB 3.48Å; V642-L646 PolarHBondContact O-N 3.22Å; L646-R648 VanDerWaalsContact C-N 3.26Å; L646-R648 PolarHBondContact O-N 2.82Å; L646-A649 PolarHBondContact O-N 2.75Å; L646-F650 HydrophobicContact CD2-CB 4.13Å; L646-F650 HydrophobicContact CD2-CD2 3.61Å; L646-F650 HydrophobicContact CD2-CE2 4.48Å; L646-F650 HydrophobicContact CD2-CG 4.24Å; L646-F650 HydrophobicContact CG-CD2 3.87Å; L646-F650 HydrophobicContact CG-CE2 4.39Å; L646-F650 PolarHBondContact O-N 3.26Å; L646-F650 VanDerWaalsContact O-O 3.13Å
647	A	84.2	Confident	83.1	Confident	7 Å²	7	61 Å²	61	6%	0.058	30%	0.304	C	S	.	.	H	α-helix	trans	-65.7	-25.2	173.9	0	0	0	0	0	113.7	S643 F650 M652 C654 V664	S643-A647 WeakPolarHBondContact O-CB 3.28Å; S643-A647 PolarHBondContact O-N 3.32Å; A647-F650 CarbonylContact C-O 3.52Å; A647-F650 VanDerWaalsContact O-O 3.05Å; A647-M652 WeakPolarHBondContact CA-O 3.32Å; A647-C654 HydrophobicContact CB-CB 4.23Å; A647-V664 HydrophobicContact CB-CB 4.22Å; A647-V664 HydrophobicContact CB-CG1 3.71Å
648	R	81.2	Confident	81.7	Confident	225 Å²	225	67.3 Å²	67.3	85%	0.849	33%	0.333	S	S	*	.	H	α-helix	trans	-81.3	-39.1	172.5	-75.8	179.6	-178.6	-172.1	3.4	112.4	T644 Q645 L646	T644-R648 WeakPolarHBondContact O-CB 3.46Å; T644-R648 VanDerWaalsContact O-CG 3.26Å; T644-R648 WeakPolarHBondContact O-CG 3.27Å; T644-R648 PolarHBondContact O-N 3.24Å; Q645-R648 PolarHBondContact O-N 2.88Å; L646-R648 VanDerWaalsContact C-N 3.26Å; L646-R648 PolarHBondContact O-N 2.82Å
649	A	82.6	Confident	80.2	Confident	71 Å²	71	66.2 Å²	66.2	59%	0.587	33%	0.334	S	S	*	.	H	α-helix	trans	-78.5	-40.7	-176.1	0	0	0	0	0	112.6	Q645 L646	Q645-A649 WeakPolarHBondContact O-CB 3.45Å; Q645-A649 PolarHBondContact O-N 3.41Å; L646-A649 PolarHBondContact O-N 2.75Å
650	F	78.5	Confident	79.1	Confident	89 Å²	89	68.3 Å²	68.3	39%	0.39	34%	0.342	S	S	.	.	S	Bend	trans	-115.9	135.8	178.3	-57.9	-81.3	0	0	0	108.2	P605 L646 A647 M652	P605-F650 HydrophobicContact CB-CD1 4.38Å; P605-F650 HydrophobicContact CB-CD2 4.2Å; P605-F650 HydrophobicContact CB-CE1 4.17Å; P605-F650 HydrophobicContact CB-CE2 3.98Å; P605-F650 HydrophobicContact CB-CG 4.38Å; P605-F650 HydrophobicContact CB-CZ 3.97Å; P605-F650 HydrophobicContact CG-CB 4.1Å; P605-F650 HydrophobicContact CG-CD1 3.67Å; P605-F650 HydrophobicContact CG-CD2 3.76Å; P605-F650 HydrophobicContact CG-CE1 3.96Å; P605-F650 HydrophobicContact CG-CE2 4.04Å; P605-F650 HydrophobicContact CG-CG 3.55Å; P605-F650 HydrophobicContact CG-CZ 4.14Å; L646-F650 HydrophobicContact CD2-CB 4.13Å; L646-F650 HydrophobicContact CD2-CD2 3.61Å; L646-F650 HydrophobicContact CD2-CE2 4.48Å; L646-F650 HydrophobicContact CD2-CG 4.24Å; L646-F650 HydrophobicContact CG-CD2 3.87Å; L646-F650 HydrophobicContact CG-CE2 4.39Å; L646-F650 PolarHBondContact O-N 3.26Å; L646-F650 VanDerWaalsContact O-O 3.13Å; A647-F650 CarbonylContact C-O 3.52Å; A647-F650 VanDerWaalsContact O-O 3.05Å; F650-M652 HydrophobicContact CB-CG 4.34Å; F650-M652 PolarHBondContact O-N 3.34Å
651	T	83.3	Confident	78.3	Confident	113 Å²	113	64.8 Å²	64.8	69%	0.693	33%	0.325	S	S	*	.	S	Bend	trans	-74.6	58.2	-178.8	-42.4	0	0	0	0	111.5	H666	T651-H666 HydrophobicContact CG2-CB 4.27Å
652	M	85	Confident	78.1	Confident	10 Å²	10	59 Å²	59	5%	0.049	30%	0.299	C	S	.	.	S	Bend	trans	-131.5	144.7	-175.7	-61.6	-68.8	-87.4	0	0	109.4	T602 Y604 G632 L635 A647 F650	T602-M652 HydrophobicContact CG2-SD 4.46Å; Y604-M652 HydrophobicContact CD1-CE 3.74Å; Y604-M652 HydrophobicContact CE1-CE 3.55Å; G632-M652 WeakPolarHBondContact O-CE 3.14Å; L635-M652 HydrophobicContact CD1-CB 3.59Å; L635-M652 HydrophobicContact CD1-CE 3.52Å; L635-M652 HydrophobicContact CD1-CG 3.77Å; A647-M652 WeakPolarHBondContact CA-O 3.32Å; F650-M652 HydrophobicContact CB-CG 4.34Å; F650-M652 PolarHBondContact O-N 3.34Å
653	D	88.1	Confident	78.1	Confident	27 Å²	27	59 Å²	59	14%	0.144	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	141.7	172.9	-64.8	-33.1	0	0	0	108.9	K633 T634 L635 S665 H666	K633-D653 PolarHBondContact O-N 3.18Å; T634-D653 CarbonylContact C-O 3.52Å; T634-D653 VanDerWaalsContact CA-O 3.28Å; T634-D653 WeakPolarHBondContact CA-O 3.42Å; T634-D653 HydrophobicContact CG2-CB 4.48Å; L635-D653 PolarHBondContact N-O 3.39Å; D653-S665 WeakPolarHBondContact OD1-CA 3.43Å; D653-S665 PolarHBondContact OD1-OG 3.48Å; D653-H666 IonicContact OD1-CD2 3.57Å; D653-H666 PolarHBondContact OD1-CD2 2.66Å; D653-H666 IonicContact OD1-CG 3.84Å; D653-H666 PolarHBondContact OD1-N 2.98Å
654	C	87.8	Confident	78.3	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	139.6	-178	-64	0	0	0	0	110.4	L635 S643 A647 V664	L635-C654 CarbonylContact O-C 3.41Å; L635-C654 WeakPolarHBondContact O-CA 3.37Å; S643-C654 WeakPolarHBondContact OG-CB 3.47Å; S643-C654 PolarHBondContact OG-O 3.26Å; A647-C654 HydrophobicContact CB-CB 4.23Å; C654-V664 PolarHBondContact N-O 3.35Å; C654-V664 PolarHBondContact O-N 3.1Å
655	I	88.9	Confident	78.5	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	142.8	179.7	-169.5	162.1	0	0	0	111.1	C553 V556 M613 T634 L635 I636 C637	C553-I655 HydrophobicContact CB-CD1 4.12Å; C553-I655 HydrophobicContact CB-CG2 4.32Å; C553-I655 WeakPolarHBondContact O-CD1 3.42Å; V556-I655 HydrophobicContact CB-CD1 4.16Å; V556-I655 HydrophobicContact CG1-CD1 4.19Å; M613-I655 HydrophobicContact CE-CG2 3.94Å; T634-I655 HydrophobicContact CG2-CG2 4.01Å; L635-I655 PolarHBondContact O-N 3.5Å; I636-I655 CarbonylContact C-O 3.58Å; I636-I655 WeakPolarHBondContact CA-O 3.4Å; I636-I655 HydrophobicContact CB-CG2 4.47Å; I636-I655 HydrophobicContact CG1-CG2 4.03Å; C637-I655 PolarHBondContact N-O 3.4Å
656	T	85.3	Confident	78.4	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.012	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	149.9	-178.6	54.4	0	0	0	0	113.2	C637 M640 E659 D662	C637-T656 WeakPolarHBondContact O-CA 3.06Å; M640-T656 HydrophobicContact CB-CG2 4.32Å; T656-E659 PolarHBondContact OG1-O 3.21Å; T656-D662 PolarHBondContact N-O 3.16Å; T656-D662 PolarHBondContact OG1-N 3.02Å; T656-D662 PolarHBondContact OG1-O 3.22Å
657	L	71.9	Confident	78.3	Confident	84 Å²	84	64.9 Å²	64.9	44%	0.44	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-36.8	175.5	-162.7	72.6	0	0	0	113	F550 I636 C637	F550-L657 HydrophobicContact CD1-CD1 3.58Å; F550-L657 HydrophobicContact CE1-CD1 3.67Å; F550-L657 HydrophobicContact CE1-CD2 4.28Å; I636-L657 HydrophobicContact CG2-CB 4.49Å; C637-L657 PolarHBondContact O-N 2.87Å
658	E	57.9	Low	78.1	Confident	134 Å²	134	67.4 Å²	67.4	63%	0.626	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-33.3	-168.1	-69.4	176.6	170.4	0	0	114.2
659	E	50.6	Low	78.2	Confident	121 Å²	121	59.2 Å²	59.2	57%	0.565	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.8	85.1	177	-68.3	-171.4	156.9	0	0	109.5	T656 G661 D662	T656-E659 PolarHBondContact OG1-O 3.21Å; E659-G661 VanDerWaalsContact C-N 3.31Å; E659-G661 PolarHBondContact O-N 3.47Å; E659-D662 PolarHBondContact O-N 3.44Å
660	I	59.1	Low	78.2	Confident	87 Å²	87	61 Å²	61	45%	0.446	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	38.3	51.4	155.9	-41	171.7	0	0	0	114.3	D662 G673 Y675	I660-D662 PolarHBondContact O-N 3.39Å; I660-G673 WeakPolarHBondContact CG2-O 3.24Å; I660-Y675 HydrophobicContact CG2-CD2 3.83Å; I660-Y675 HydrophobicContact CG2-CG 4.44Å; I660-Y675 WeakPolarHBondContact O-CD2 3.33Å; I660-Y675 WeakPolarHBondContact O-CE2 3.02Å
661	G	62	Low	78.2	Confident	3 Å²	3	60.5 Å²	60.5	3%	0.031	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	65	32	164.5	0	0	0	0	0	116.6	E659 Q663	E659-G661 VanDerWaalsContact C-N 3.31Å; E659-G661 PolarHBondContact O-N 3.47Å; G661-Q663 PolarHBondContact O-N 2.92Å
662	D	78.2	Confident	77.9	Confident	36 Å²	36	57.5 Å²	57.5	19%	0.193	32%	0.317	C	S	.	.			trans	-66.9	121.1	174.9	-72.6	-36.2	0	0	0	111.3	T656 E659 I660 G672	T656-D662 PolarHBondContact N-O 3.16Å; T656-D662 PolarHBondContact OG1-N 3.02Å; T656-D662 PolarHBondContact OG1-O 3.22Å; E659-D662 PolarHBondContact O-N 3.44Å; I660-D662 PolarHBondContact O-N 3.39Å; D662-G672 WeakPolarHBondContact OD1-CA 3.16Å
663	Q	82.9	Confident	77.4	Confident	36 Å²	36	58.9 Å²	58.9	17%	0.168	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	127.3	-177.7	-170.3	178.8	5.3	0	0	110.9	G661 L670 T671	G661-Q663 PolarHBondContact O-N 2.92Å; Q663-L670 WeakPolarHBondContact O-CA 3.41Å; Q663-T671 PolarHBondContact N-O 2.96Å; Q663-T671 PolarHBondContact O-N 3.34Å
664	V	85.8	Confident	76.8	Confident	9 Å²	9	66.4 Å²	66.4	6%	0.055	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	112.5	169.7	-172.2	0	0	0	0	108.3	S643 T644 A647 C654 L670	S643-V664 VanDerWaalsContact OG-CG2 3.22Å; S643-V664 WeakPolarHBondContact OG-CG2 3.48Å; T644-V664 HydrophobicContact CG2-CG1 4.37Å; T644-V664 HydrophobicContact CG2-CG2 3.91Å; A647-V664 HydrophobicContact CB-CB 4.22Å; A647-V664 HydrophobicContact CB-CG1 3.71Å; C654-V664 PolarHBondContact N-O 3.35Å; C654-V664 PolarHBondContact O-N 3.1Å; V664-L670 HydrophobicContact CB-CD2 3.98Å; V664-L670 HydrophobicContact CG1-CD2 3.75Å; V664-L670 HydrophobicContact CG2-CD2 3.54Å
665	S	86.3	Confident	75.9	Confident	24 Å²	24	69.5 Å²	69.5	17%	0.168	37%	0.373	C	S	.	.			trans	-76.4	148.1	174.3	179.3	0	0	0	0	111.4	D653 R667 G668 A669	D653-S665 WeakPolarHBondContact OD1-CA 3.43Å; D653-S665 PolarHBondContact OD1-OG 3.48Å; S665-R667 PolarHBondContact O-N 2.93Å; S665-R667 PolarHBondContact OG-N 3.46Å; S665-G668 PolarHBondContact O-N 2.91Å; S665-A669 PolarHBondContact N-O 3.46Å
666	H	82	Confident	74.8	Confident	70 Å²	70	72.1 Å²	72.1	32%	0.324	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-14.3	169.2	78	79.4	0	0	0	113.4	T651 D653	T651-H666 HydrophobicContact CG2-CB 4.27Å; D653-H666 IonicContact OD1-CD2 3.57Å; D653-H666 PolarHBondContact OD1-CD2 2.66Å; D653-H666 IonicContact OD1-CG 3.84Å; D653-H666 PolarHBondContact OD1-N 2.98Å
667	R	83	Confident	73.9	Confident	215 Å²	215	77 Å²	77	81%	0.811	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	2	174.3	-52.3	-173.9	100.1	170.9	5.4	113.4	S665	S665-R667 PolarHBondContact O-N 2.93Å; S665-R667 PolarHBondContact OG-N 3.46Å
668	G	79	Confident	73.6	Confident	59 Å²	59	81.8 Å²	81.8	61%	0.608	43%	0.429	S	S	*	.	S	Bend	trans	86.5	6.7	179.2	0	0	0	0	0	115.3	S665	S665-G668 PolarHBondContact O-N 2.91Å
669	A	82.9	Confident	74	Confident	54 Å²	54	81.7 Å²	81.7	45%	0.446	43%	0.426	S	S	.	.			trans	-74.8	131.6	172	0	0	0	0	0	110.2	S665	S665-A669 PolarHBondContact N-O 3.46Å
670	L	82.8	Confident	75.4	Confident	108 Å²	108	76.3 Å²	76.3	57%	0.565	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.5	122	175.1	-63.7	173	0	0	0	108.2	Q663 V664	Q663-L670 WeakPolarHBondContact O-CA 3.41Å; V664-L670 HydrophobicContact CB-CD2 3.98Å; V664-L670 HydrophobicContact CG1-CD2 3.75Å; V664-L670 HydrophobicContact CG2-CD2 3.54Å
671	T	78.7	Confident	76.6	Confident	79 Å²	79	74.9 Å²	74.9	49%	0.485	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	118.9	177.9	-56.5	0	0	0	0	108.8	Q663	Q663-T671 PolarHBondContact N-O 2.96Å; Q663-T671 PolarHBondContact O-N 3.34Å
672	G	76.8	Confident	77.5	Confident	50 Å²	50	75.4 Å²	75.4	52%	0.515	39%	0.393	S	S	.	.			trans	-148.7	151.6	-174.7	0	0	0	0	0	111.8	D662	D662-G672 WeakPolarHBondContact OD1-CA 3.16Å
673	G	75.3	Confident	77.7	Confident	38 Å²	38	77 Å²	77	39%	0.392	40%	0.4	S	S	.	.			trans	176.1	174.1	-177.7	0	0	0	0	0	113.1	I660 Y675	I660-G673 WeakPolarHBondContact CG2-O 3.24Å; G673-Y675 WeakPolarHBondContact O-CD2 3.32Å; G673-Y675 WeakPolarHBondContact O-CE2 3.22Å; G673-Y675 PolarHBondContact O-N 2.94Å
674	Y	74.9	Confident	77.6	Confident	186 Å²	186	76.7 Å²	76.7	73%	0.729	40%	0.399	S	S	*	.			trans	-77.2	114.3	175.2	-179.7	-96.2	0	0	0	110.6	D676	Y674-D676 HydrophobicContact CE1-CB 4.22Å
675	Y	68.9	Low	77.4	Confident	65 Å²	65	77.3 Å²	77.3	26%	0.255	40%	0.401	S	S	.	.			trans	-98.8	121.2	174.1	-59.1	-70.4	0	0	0	110.8	T552 V556 I660 G673 T677	T552-Y675 HydrophobicContact CG2-CD2 4Å; T552-Y675 HydrophobicContact CG2-CG 3.94Å; V556-Y675 HydrophobicContact CG2-CD1 3.9Å; V556-Y675 HydrophobicContact CG2-CD2 4.19Å; V556-Y675 HydrophobicContact CG2-CE1 3.54Å; V556-Y675 HydrophobicContact CG2-CE2 3.88Å; V556-Y675 HydrophobicContact CG2-CG 4.23Å; I660-Y675 HydrophobicContact CG2-CD2 3.83Å; I660-Y675 HydrophobicContact CG2-CG 4.44Å; I660-Y675 WeakPolarHBondContact O-CD2 3.33Å; I660-Y675 WeakPolarHBondContact O-CE2 3.02Å; G673-Y675 WeakPolarHBondContact O-CD2 3.32Å; G673-Y675 WeakPolarHBondContact O-CE2 3.22Å; G673-Y675 PolarHBondContact O-N 2.94Å; Y675-T677 PolarHBondContact O-N 3.38Å
676	D	66.4	Low	77.2	Confident	55 Å²	55	80.1 Å²	80.1	29%	0.294	41%	0.41	S	S	.	.			trans	-82.1	111.3	177.9	-174	2.4	0	0	0	110.1	Y674 R678 K679	Y674-D676 HydrophobicContact CE1-CB 4.22Å; D676-R678 PolarHBondContact O-N 3.31Å; D676-R678 WeakPolarHBondContact OD1-CB 3.4Å; D676-R678 PolarHBondContact OD1-N 3.41Å; D676-R678 VanDerWaalsContact OD1-N 3.14Å; D676-K679 HydrophobicContact CB-CD 4.26Å; D676-K679 HydrophobicContact CB-CG 4.3Å; D676-K679 PolarHBondContact O-N 2.98Å; D676-K679 WeakPolarHBondContact OD2-CE 3.47Å
677	T	67.1	Low	77.1	Confident	103 Å²	103	79.3 Å²	79.3	63%	0.632	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-60.3	-25.5	178.7	44.2	0	0	0	0	112.8	Y675 K679 S680	Y675-T677 PolarHBondContact O-N 3.38Å; T677-K679 PolarHBondContact O-N 3.09Å; T677-S680 VanDerWaalsContact O-CB 3.31Å; T677-S680 WeakPolarHBondContact O-CB 3.39Å; T677-S680 PolarHBondContact O-N 3.39Å
678	R	65.4	Low	77.1	Confident	185 Å²	185	70 Å²	70	70%	0.698	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-70.8	-17.3	177.1	-63.3	-179.9	169.7	-171.8	-7.8	113.7	D676	D676-R678 PolarHBondContact O-N 3.31Å; D676-R678 WeakPolarHBondContact OD1-CB 3.4Å; D676-R678 PolarHBondContact OD1-N 3.41Å; D676-R678 VanDerWaalsContact OD1-N 3.14Å
679	K	66.8	Low	77.2	Confident	132 Å²	132	72.7 Å²	72.7	57%	0.574	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-98.7	8.7	177.4	-64.3	-179	-174.9	173.8	0	112.6	D676 T677 R681	D676-K679 HydrophobicContact CB-CD 4.26Å; D676-K679 HydrophobicContact CB-CG 4.3Å; D676-K679 PolarHBondContact O-N 2.98Å; D676-K679 WeakPolarHBondContact OD2-CE 3.47Å; T677-K679 PolarHBondContact O-N 3.09Å; K679-R681 PolarHBondContact O-N 3.16Å; K679-R681 VanDerWaalsContact O-N 3.13Å
680	S	79.8	Confident	77.2	Confident	8 Å²	8	75.1 Å²	75.1	6%	0.056	37%	0.367	C	S	.	.			trans	-57	117.1	176.9	177.8	0	0	0	0	110.2	E555 T677 L682 L684	E555-S680 WeakPolarHBondContact OE2-CA 3.43Å; T677-S680 VanDerWaalsContact O-CB 3.31Å; T677-S680 WeakPolarHBondContact O-CB 3.39Å; T677-S680 PolarHBondContact O-N 3.39Å; S680-L682 VanDerWaalsContact C-N 3.33Å; S680-L684 WeakPolarHBondContact O-CG 3.39Å; S680-L684 PolarHBondContact O-N 3.13Å
681	R	82.8	Confident	77.2	Confident	58 Å²	58	70 Å²	70	22%	0.219	34%	0.34	C	S	.	.	H	α-helix	trans	-73.6	-30.8	-175.3	-63.3	173.7	-172.1	134.5	-2.2	111.9	A504 M541 E555 K679 Q685	A504-R681 HydrophobicContact CB-CG 4.27Å; A504-R681 PolarHBondContact O-NE 3.05Å; A504-R681 PolarHBondContact O-NH2 2.94Å; M541-R681 HydrophobicContact SD-CB 4.38Å; E555-R681 WeakPolarHBondContact OE1-CD 3.44Å; E555-R681 WeakPolarHBondContact OE1-CG 3.48Å; E555-R681 IonicContact OE1-CZ 3.9Å; E555-R681 VanDerWaalsContact OE1-CZ 3.23Å; E555-R681 IonicContact OE1-NE 3.83Å; E555-R681 PolarHBondContact OE1-NE 2.83Å; E555-R681 IonicContact OE1-NH1 3.08Å; E555-R681 PolarHBondContact OE1-NH1 3.26Å; E555-R681 PolarHBondContact OE2-N 2.99Å; E555-R681 VanDerWaalsContact OE2-N 3.08Å; K679-R681 PolarHBondContact O-N 3.16Å; K679-R681 VanDerWaalsContact O-N 3.13Å; R681-Q685 WeakPolarHBondContact O-CB 3.49Å; R681-Q685 PolarHBondContact O-N 3.26Å
682	L	82.4	Confident	77.4	Confident	14 Å²	14	70.2 Å²	70.2	7%	0.073	34%	0.335	C	S	.	.	H	α-helix	trans	-69.1	-38.6	-179.6	-66.5	172.2	0	0	0	112.1	M541 F544 Y551 V554 S680 Q685 K686	M541-L682 HydrophobicContact CG-CD2 3.79Å; F544-L682 HydrophobicContact CE1-CD2 4.25Å; F544-L682 HydrophobicContact CE2-CD1 4.44Å; F544-L682 HydrophobicContact CE2-CD2 4.34Å; F544-L682 HydrophobicContact CZ-CD1 4.19Å; F544-L682 HydrophobicContact CZ-CD2 3.65Å; Y551-L682 HydrophobicContact CD1-CB 3.89Å; Y551-L682 HydrophobicContact CD1-CD1 3.95Å; Y551-L682 HydrophobicContact CE1-CB 4.09Å; Y551-L682 HydrophobicContact CG-CB 4.23Å; Y551-L682 HydrophobicContact CG-CD1 4.5Å; V554-L682 HydrophobicContact CB-CD1 4.29Å; V554-L682 HydrophobicContact CG1-CD1 4.01Å; S680-L682 VanDerWaalsContact C-N 3.33Å; L682-Q685 PolarHBondContact O-N 3.14Å; L682-K686 PolarHBondContact O-N 3.39Å; L682-K686 VanDerWaalsContact O-N 3.07Å
683	E	82.6	Confident	77.7	Confident	70 Å²	70	72.9 Å²	72.9	33%	0.327	34%	0.335	S	S	.	.	H	α-helix	trans	-68.7	-45.3	177.5	-171.1	67.5	162.2	0	0	111	Y551 Q685 K686 D687	Y551-E683 HydrophobicContact CD2-CB 4.14Å; Y551-E683 HydrophobicContact CE2-CB 3.72Å; Y551-E683 HydrophobicContact CE2-CG 4.21Å; Y551-E683 WeakPolarHBondContact CE2-OE2 3.35Å; Y551-E683 PolarHBondContact OH-OE2 3.37Å; E683-Q685 VanDerWaalsContact C-N 3.27Å; E683-Q685 PolarHBondContact O-N 3.28Å; E683-K686 WeakPolarHBondContact O-CB 3.31Å; E683-K686 PolarHBondContact O-N 3.38Å; E683-K686 VanDerWaalsContact O-N 3.14Å; E683-D687 PolarHBondContact O-N 3.39Å
684	L	80.8	Confident	78.1	Confident	29 Å²	29	75.2 Å²	75.2	15%	0.152	34%	0.335	C	S	.	.	H	α-helix	trans	-59.2	-38.3	175.3	-67.5	170.9	0	0	0	112.2	L500 L501 A504 S680 M688	L500-L684 HydrophobicContact CB-CD2 4.41Å; L501-L684 HydrophobicContact CB-CB 4.34Å; L501-L684 HydrophobicContact CD1-CB 4.08Å; A504-L684 HydrophobicContact CB-CD1 4.31Å; S680-L684 WeakPolarHBondContact O-CG 3.39Å; S680-L684 PolarHBondContact O-N 3.13Å; L684-M688 WeakPolarHBondContact O-CB 3.49Å; L684-M688 PolarHBondContact O-N 3Å
685	Q	80.7	Confident	78.7	Confident	22 Å²	22	67 Å²	67	10%	0.103	30%	0.304	C	S	.	.	H	α-helix	trans	-66.6	-39.6	176.8	179.9	59.7	31.1	0	0	112.3	L501 M541 N542 R681 L682 E683 M688 R689	L501-Q685 HydrophobicContact CD1-CB 4.03Å; M541-Q685 HydrophobicContact CE-CB 4.08Å; M541-Q685 HydrophobicContact CE-CG 3.91Å; M541-Q685 HydrophobicContact CG-CG 4.33Å; M541-Q685 HydrophobicContact SD-CB 4.37Å; N542-Q685 PolarHBondContact OD1-NE2 3.13Å; R681-Q685 WeakPolarHBondContact O-CB 3.49Å; R681-Q685 PolarHBondContact O-N 3.26Å; L682-Q685 PolarHBondContact O-N 3.14Å; E683-Q685 VanDerWaalsContact C-N 3.27Å; E683-Q685 PolarHBondContact O-N 3.28Å; Q685-M688 VanDerWaalsContact NE2-CE 3.3Å; Q685-M688 PolarHBondContact O-N 3.14Å; Q685-M688 VanDerWaalsContact OE1-CE 3.25Å; Q685-R689 PolarHBondContact O-N 3.41Å
686	K	82.4	Confident	79.4	Confident	83 Å²	83	66.5 Å²	66.5	36%	0.361	31%	0.313	S	S	.	.	H	α-helix	trans	-65.5	-43.1	177.8	-174	-178.4	-179	-177.4	0	111.6	L682 E683 M688 R689 K690	L682-K686 PolarHBondContact O-N 3.39Å; L682-K686 VanDerWaalsContact O-N 3.07Å; E683-K686 WeakPolarHBondContact O-CB 3.31Å; E683-K686 PolarHBondContact O-N 3.38Å; E683-K686 VanDerWaalsContact O-N 3.14Å; K686-M688 VanDerWaalsContact C-N 3.33Å; K686-R689 PolarHBondContact O-N 3.08Å; K686-K690 PolarHBondContact O-N 2.79Å; K686-K690 VanDerWaalsContact O-N 3.15Å
687	D	80.2	Confident	80.3	Confident	53 Å²	53	69.8 Å²	69.8	28%	0.283	33%	0.327	S	S	.	.	H	α-helix	trans	-68	-33.8	177	-72.6	-20.5	0	0	0	112.7	K497 E683 A691	K497-D687 HydrophobicContact CD-CB 4.4Å; E683-D687 PolarHBondContact O-N 3.39Å; D687-A691 WeakPolarHBondContact O-CB 3.44Å; D687-A691 PolarHBondContact O-N 3.05Å; D687-A691 VanDerWaalsContact O-N 3.16Å
688	M	82.8	Confident	81.1	Confident	18 Å²	18	66.2 Å²	66.2	9%	0.089	30%	0.304	C	S	.	.	H	α-helix	trans	-64.8	-45.9	173	-170.1	-173	81.5	0	0	111.2	L494 Q498 L684 Q685 K686 K690 A691 E692	L494-M688 HydrophobicContact CD1-CG 3.52Å; Q498-M688 HydrophobicContact CG-CG 4.03Å; Q498-M688 HydrophobicContact CG-SD 3.5Å; Q498-M688 WeakPolarHBondContact CG-SD 3.36Å; L684-M688 WeakPolarHBondContact O-CB 3.49Å; L684-M688 PolarHBondContact O-N 3Å; Q685-M688 VanDerWaalsContact NE2-CE 3.3Å; Q685-M688 PolarHBondContact O-N 3.14Å; Q685-M688 VanDerWaalsContact OE1-CE 3.25Å; K686-M688 VanDerWaalsContact C-N 3.33Å; M688-K690 PolarHBondContact O-N 3.14Å; M688-A691 WeakPolarHBondContact O-CB 3.21Å; M688-A691 PolarHBondContact O-N 3.04Å; M688-A691 VanDerWaalsContact O-N 3.15Å; M688-E692 WeakPolarHBondContact O-CG 3.49Å; M688-E692 PolarHBondContact O-N 3.25Å
689	R	81.4	Confident	81.9	Confident	117 Å²	117	60.4 Å²	60.4	44%	0.442	29%	0.285	S	S	.	.	H	α-helix	trans	-61	-44.2	179.1	-172.6	-179.6	-175.1	158	7.6	112.6	Q685 K686 A691 E692 E693	Q685-R689 PolarHBondContact O-N 3.41Å; K686-R689 PolarHBondContact O-N 3.08Å; R689-A691 VanDerWaalsContact C-N 3.31Å; R689-A691 PolarHBondContact O-N 2.86Å; R689-E692 PolarHBondContact O-N 3.03Å; R689-E693 IonicContact NE-OE1 3.39Å; R689-E693 WeakPolarHBondContact O-CG 3.48Å; R689-E693 PolarHBondContact O-N 3.38Å
690	K	83.5	Confident	82.7	Confident	105 Å²	105	56.4 Å²	56.4	46%	0.457	28%	0.276	S	S	.	.	H	α-helix	trans	-59.5	-43.1	174.2	-72.3	177.9	178.3	176.7	0	111.8	K686 M688 E692 E693 E694	K686-K690 PolarHBondContact O-N 2.79Å; K686-K690 VanDerWaalsContact O-N 3.15Å; M688-K690 PolarHBondContact O-N 3.14Å; K690-E692 VanDerWaalsContact C-N 3.34Å; K690-E692 PolarHBondContact O-N 3.42Å; K690-E693 PolarHBondContact O-N 3.22Å; K690-E694 WeakPolarHBondContact O-CG 3.17Å; K690-E694 PolarHBondContact O-N 3.05Å
691	A	80.9	Confident	82.7	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.008	30%	0.295	C	S	.	.	H	α-helix	trans	-65.1	-36.6	177.6	0	0	0	0	0	112.2	L494 K497 D687 M688 R689 L695	L494-A691 HydrophobicContact CD1-CB 4.02Å; K497-A691 HydrophobicContact CD-CB 4.46Å; D687-A691 WeakPolarHBondContact O-CB 3.44Å; D687-A691 PolarHBondContact O-N 3.05Å; D687-A691 VanDerWaalsContact O-N 3.16Å; M688-A691 WeakPolarHBondContact O-CB 3.21Å; M688-A691 PolarHBondContact O-N 3.04Å; M688-A691 VanDerWaalsContact O-N 3.15Å; R689-A691 VanDerWaalsContact C-N 3.31Å; R689-A691 PolarHBondContact O-N 2.86Å; A691-L695 VanDerWaalsContact O-CB 3.22Å; A691-L695 WeakPolarHBondContact O-CB 3.48Å; A691-L695 PolarHBondContact O-N 3.18Å; A691-L695 VanDerWaalsContact O-N 3.1Å
692	E	82.8	Confident	82.7	Confident	82 Å²	82	58.5 Å²	58.5	38%	0.383	29%	0.286	S	S	.	.	H	α-helix	trans	-64.9	-41.8	173.8	-73.2	176	173.4	0	0	112.5	L494 M688 R689 K690 L695 A696	L494-E692 HydrophobicContact CD1-CG 3.63Å; L494-E692 HydrophobicContact CD2-CG 3.79Å; L494-E692 HydrophobicContact CG-CG 4.38Å; M688-E692 WeakPolarHBondContact O-CG 3.49Å; M688-E692 PolarHBondContact O-N 3.25Å; R689-E692 PolarHBondContact O-N 3.03Å; K690-E692 VanDerWaalsContact C-N 3.34Å; K690-E692 PolarHBondContact O-N 3.42Å; E692-L695 PolarHBondContact O-N 3.4Å; E692-A696 PolarHBondContact O-N 3.07Å
693	E	85	Confident	82.5	Confident	107 Å²	107	61.5 Å²	61.5	50%	0.5	30%	0.302	S	S	.	.	H	α-helix	trans	-63.8	-48.2	177.2	-73.6	170	-173	0	0	111.7	R689 K690 L695 A696 E697	R689-E693 IonicContact NE-OE1 3.39Å; R689-E693 WeakPolarHBondContact O-CG 3.48Å; R689-E693 PolarHBondContact O-N 3.38Å; K690-E693 PolarHBondContact O-N 3.22Å; E693-L695 VanDerWaalsContact C-N 3.25Å; E693-L695 PolarHBondContact O-N 3.02Å; E693-A696 PolarHBondContact O-N 3.3Å; E693-E697 PolarHBondContact O-N 3.5Å; E693-E697 VanDerWaalsContact O-N 3.08Å
694	E	82.9	Confident	82	Confident	86 Å²	86	63.7 Å²	63.7	40%	0.402	31%	0.312	S	S	.	.	H	α-helix	trans	-59.6	-37	176.1	-71.8	176.4	-173.7	0	0	112.3	K490 K690 L698	K490-E694 IonicContact NZ-OE2 3.34Å; K490-E694 PolarHBondContact NZ-OE2 3.39Å; K690-E694 WeakPolarHBondContact O-CG 3.17Å; K690-E694 PolarHBondContact O-N 3.05Å; E694-L698 WeakPolarHBondContact O-CG 3.33Å; E694-L698 PolarHBondContact O-N 2.8Å; E694-L698 VanDerWaalsContact O-N 3.14Å
695	L	86.3	Confident	81.4	Confident	13 Å²	13	67.1 Å²	67.1	7%	0.068	33%	0.331	C	S	.	.	H	α-helix	trans	-69.5	-42.2	179.3	-159.9	165.4	0	0	0	111.2	R491 L494 A691 E692 E693 E697 L698 E699	R491-L695 HydrophobicContact CB-CD1 4.35Å; R491-L695 HydrophobicContact CG-CD1 3.61Å; R491-L695 HydrophobicContact CG-CD2 4.22Å; R491-L695 HydrophobicContact CG-CG 4.18Å; L494-L695 HydrophobicContact CB-CD1 4.41Å; L494-L695 HydrophobicContact CD2-CD1 3.74Å; A691-L695 VanDerWaalsContact O-CB 3.22Å; A691-L695 WeakPolarHBondContact O-CB 3.48Å; A691-L695 PolarHBondContact O-N 3.18Å; A691-L695 VanDerWaalsContact O-N 3.1Å; E692-L695 PolarHBondContact O-N 3.4Å; E693-L695 VanDerWaalsContact C-N 3.25Å; E693-L695 PolarHBondContact O-N 3.02Å; L695-E697 VanDerWaalsContact C-N 3.34Å; L695-E697 PolarHBondContact O-N 2.91Å; L695-L698 PolarHBondContact O-N 3.21Å; L695-E699 VanDerWaalsContact CD2-CD 3.45Å; L695-E699 HydrophobicContact CD2-CG 3.9Å; L695-E699 WeakPolarHBondContact CD2-OE1 3.33Å; L695-E699 WeakPolarHBondContact O-CB 3.37Å; L695-E699 PolarHBondContact O-N 2.86Å
696	A	83.9	Confident	81	Confident	55 Å²	55	67 Å²	67	46%	0.455	33%	0.33	S	S	.	.	H	α-helix	trans	-62.5	-39.5	175.6	0	0	0	0	0	112.2	E692 E693 E699 A700	E692-A696 PolarHBondContact O-N 3.07Å; E693-A696 PolarHBondContact O-N 3.3Å; A696-E699 PolarHBondContact O-N 3.01Å; A696-A700 WeakPolarHBondContact O-CB 3.37Å; A696-A700 PolarHBondContact O-N 3.32Å
697	E	86.4	Confident	80.6	Confident	124 Å²	124	67.2 Å²	67.2	58%	0.579	33%	0.329	S	S	*	.	H	α-helix	trans	-63.2	-43.2	174.4	-73.6	-172.6	179.7	0	0	112.5	E693 L695 A700 K701	E693-E697 PolarHBondContact O-N 3.5Å; E693-E697 VanDerWaalsContact O-N 3.08Å; L695-E697 VanDerWaalsContact C-N 3.34Å; L695-E697 PolarHBondContact O-N 2.91Å; E697-A700 PolarHBondContact O-N 2.79Å; E697-K701 WeakPolarHBondContact O-CG 3.45Å; E697-K701 PolarHBondContact O-N 2.99Å; E697-K701 VanDerWaalsContact O-N 3.07Å
698	L	82.5	Confident	80.4	Confident	29 Å²	29	71.5 Å²	71.5	15%	0.152	34%	0.341	C	S	.	.	H	α-helix	trans	-65.6	-41.7	176.6	-73.5	166.7	0	0	0	111.8	E483 K490 E694 L695 A700 K701 L702	E483-L698 WeakPolarHBondContact OE2-CD2 3.42Å; K490-L698 HydrophobicContact CB-CD1 4.47Å; K490-L698 HydrophobicContact CG-CD1 3.96Å; E694-L698 WeakPolarHBondContact O-CG 3.33Å; E694-L698 PolarHBondContact O-N 2.8Å; E694-L698 VanDerWaalsContact O-N 3.14Å; L695-L698 PolarHBondContact O-N 3.21Å; L698-A700 VanDerWaalsContact C-N 3.34Å; L698-A700 PolarHBondContact O-N 3.17Å; L698-K701 PolarHBondContact O-N 3Å; L698-L702 WeakPolarHBondContact O-CB 3.47Å; L698-L702 PolarHBondContact O-N 3.3Å
699	E	82.8	Confident	80.1	Confident	63 Å²	63	74 Å²	74	29%	0.294	36%	0.355	S	S	.	.	H	α-helix	trans	-61.2	-41.4	175	-84.8	-179.5	-178.1	0	0	112.3	L487 R491 L695 A696 N703	L487-E699 HydrophobicContact CD1-CB 4.4Å; L487-E699 HydrophobicContact CD1-CG 3.61Å; L487-E699 HydrophobicContact CD2-CG 4.27Å; L487-E699 HydrophobicContact CG-CG 4.13Å; R491-E699 IonicContact CZ-OE1 3.37Å; R491-E699 IonicContact NE-OE1 2.63Å; R491-E699 PolarHBondContact NE-OE1 3.44Å; R491-E699 IonicContact NH2-OE1 2.95Å; R491-E699 PolarHBondContact NH2-OE1 2.89Å; L695-E699 VanDerWaalsContact CD2-CD 3.45Å; L695-E699 HydrophobicContact CD2-CG 3.9Å; L695-E699 WeakPolarHBondContact CD2-OE1 3.33Å; L695-E699 WeakPolarHBondContact O-CB 3.37Å; L695-E699 PolarHBondContact O-N 2.86Å; A696-E699 PolarHBondContact O-N 3.01Å; E699-N703 WeakPolarHBondContact O-CB 3.23Å; E699-N703 PolarHBondContact O-N 3.23Å; E699-N703 PolarHBondContact O-ND2 3.46Å
700	A	83.3	Confident	79.9	Confident	48 Å²	48	69 Å²	69	40%	0.397	34%	0.337	S	S	.	.	H	α-helix	trans	-63.8	-47.1	176.5	0	0	0	0	0	111.5	A696 E697 L698 L702 N703 E704	A696-A700 WeakPolarHBondContact O-CB 3.37Å; A696-A700 PolarHBondContact O-N 3.32Å; E697-A700 PolarHBondContact O-N 2.79Å; L698-A700 VanDerWaalsContact C-N 3.34Å; L698-A700 PolarHBondContact O-N 3.17Å; A700-L702 VanDerWaalsContact C-N 3.35Å; A700-L702 PolarHBondContact O-N 3.42Å; A700-N703 PolarHBondContact O-N 3.36Å; A700-E704 WeakPolarHBondContact O-CB 3.25Å; A700-E704 PolarHBondContact O-N 3.02Å
701	K	81.4	Confident	79.4	Confident	106 Å²	106	70.1 Å²	70.1	46%	0.461	34%	0.344	S	S	.	.	H	α-helix	trans	-58.9	-43.9	177.7	-73.4	173.8	-175.1	172.5	0	112.4	E697 L698 N705	E697-K701 WeakPolarHBondContact O-CG 3.45Å; E697-K701 PolarHBondContact O-N 2.99Å; E697-K701 VanDerWaalsContact O-N 3.07Å; L698-K701 PolarHBondContact O-N 3Å; K701-N705 PolarHBondContact O-N 2.63Å
702	L	81.7	Confident	78.8	Confident	4 Å²	4	76 Å²	76	2%	0.021	37%	0.371	C	S	.	.	I	π-helix	trans	-68.3	-41.9	-178.5	-169	142.8	0	0	0	112.3	E483 Q484 L487 L698 A700 R707	E483-L702 HydrophobicContact CB-CD1 4.01Å; Q484-L702 HydrophobicContact CB-CD1 3.8Å; Q484-L702 HydrophobicContact CG-CD1 4.28Å; L487-L702 HydrophobicContact CD1-CD1 4.16Å; L698-L702 WeakPolarHBondContact O-CB 3.47Å; L698-L702 PolarHBondContact O-N 3.3Å; A700-L702 VanDerWaalsContact C-N 3.35Å; A700-L702 PolarHBondContact O-N 3.42Å; L702-R707 HydrophobicContact CD2-CG 4.24Å; L702-R707 PolarHBondContact O-N 3.35Å
703	N	77.4	Confident	78.1	Confident	77 Å²	77	76 Å²	76	41%	0.412	37%	0.373	S	S	.	.	I	π-helix	trans	-78.1	-41.6	-177.8	-74.3	-31.1	0	0	0	113.6	E699 A700	E699-N703 WeakPolarHBondContact O-CB 3.23Å; E699-N703 PolarHBondContact O-N 3.23Å; E699-N703 PolarHBondContact O-ND2 3.46Å; A700-N703 PolarHBondContact O-N 3.36Å
704	E	72.6	Confident	77.7	Confident	116 Å²	116	71.4 Å²	71.4	54%	0.542	35%	0.352	S	S	.	.	I	π-helix	trans	-78.9	-42	-175.7	-75.4	-161.7	133.2	0	0	113.5	A700 R708	A700-E704 WeakPolarHBondContact O-CB 3.25Å; A700-E704 PolarHBondContact O-N 3.02Å; E704-R708 IonicContact OE1-NH1 3.91Å
705	N	69	Low	77.6	Confident	100 Å²	100	69.5 Å²	69.5	54%	0.535	34%	0.344	S	S	.	.	I	π-helix	trans	-97.9	-47.3	-169.9	-69.3	-23.2	0	0	0	113.1	K701 N709	K701-N705 PolarHBondContact O-N 2.63Å; N705-N709 VanDerWaalsContact O-CB 3.25Å; N705-N709 WeakPolarHBondContact O-CB 3.21Å; N705-N709 PolarHBondContact O-ND2 2.98Å
706	L	71.1	Confident	77.5	Confident	19 Å²	19	72.8 Å²	72.8	10%	0.099	36%	0.362	C	S	.	.	I	π-helix	trans	-86.8	-52.3	-169.2	-78	152.2	0	0	0	112	L476 E479 E480 E483 N709 I710	L476-L706 HydrophobicContact CB-CD2 4.45Å; L476-L706 HydrophobicContact CD2-CD2 4.14Å; E479-L706 HydrophobicContact CB-CD2 3.77Å; E480-L706 HydrophobicContact CB-CB 4.35Å; E480-L706 HydrophobicContact CG-CB 4.46Å; E483-L706 HydrophobicContact CG-CD1 4.14Å; L706-N709 PolarHBondContact O-N 2.99Å; L706-I710 WeakPolarHBondContact O-CB 3.47Å; L706-I710 WeakPolarHBondContact O-CD1 3.46Å; L706-I710 VanDerWaalsContact O-CG1 3.23Å; L706-I710 WeakPolarHBondContact O-CG1 3.43Å; L706-I710 PolarHBondContact O-N 3.21Å
707	R	75.3	Confident	77.5	Confident	89 Å²	89	74.1 Å²	74.1	34%	0.336	36%	0.358	S	S	.	.	I	π-helix	trans	-64	-46.6	-177.3	-78.6	-174.9	172.8	173	1.4	113.6	E480 L702 N709 I710 E711	E480-R707 WeakPolarHBondContact OE1-CG 3.43Å; E480-R707 IonicContact OE1-CZ 3.69Å; E480-R707 IonicContact OE1-NE 3.99Å; E480-R707 PolarHBondContact OE1-NE 3.11Å; E480-R707 IonicContact OE1-NH2 3.48Å; L702-R707 HydrophobicContact CD2-CG 4.24Å; L702-R707 PolarHBondContact O-N 3.35Å; R707-N709 VanDerWaalsContact C-N 3.35Å; R707-N709 PolarHBondContact O-N 3.47Å; R707-I710 PolarHBondContact O-N 3.27Å; R707-E711 WeakPolarHBondContact O-CB 3.31Å; R707-E711 PolarHBondContact O-N 3.32Å
708	R	76.4	Confident	77.5	Confident	143 Å²	143	68.3 Å²	68.3	54%	0.54	33%	0.332	S	S	.	.	H	α-helix	trans	-62.3	-41.2	178.3	-76.2	-178.3	178.9	150.6	1.9	112.2	E704 H712	E704-R708 IonicContact OE1-NH1 3.91Å; R708-H712 WeakPolarHBondContact O-CB 3.42Å; R708-H712 PolarHBondContact O-N 2.64Å
709	N	76.4	Confident	77.6	Confident	69 Å²	69	71 Å²	71	37%	0.369	35%	0.346	S	S	.	.	I	π-helix	trans	-69.1	-42.7	-179.2	-70.8	-8.6	0	0	0	112	N705 L706 R707 I713 L714	N705-N709 VanDerWaalsContact O-CB 3.25Å; N705-N709 WeakPolarHBondContact O-CB 3.21Å; N705-N709 PolarHBondContact O-ND2 2.98Å; L706-N709 PolarHBondContact O-N 2.99Å; R707-N709 VanDerWaalsContact C-N 3.35Å; R707-N709 PolarHBondContact O-N 3.47Å; N709-I713 PolarHBondContact O-N 2.88Å; N709-L714 PolarHBondContact O-N 3.05Å
710	I	77.1	Confident	77.9	Confident	13 Å²	13	73.8 Å²	73.8	7%	0.067	36%	0.359	C	S	.	.	I	π-helix	trans	-66.7	-49.5	177.6	-65.6	166.1	0	0	0	110.9	R473 L476 E480 L706 R707 N715	R473-I710 HydrophobicContact CG-CG2 4.46Å; L476-I710 HydrophobicContact CB-CD1 3.93Å; L476-I710 HydrophobicContact CB-CG1 3.72Å; L476-I710 HydrophobicContact CD1-CG1 4.49Å; E480-I710 HydrophobicContact CB-CD1 4.05Å; L706-I710 WeakPolarHBondContact O-CB 3.47Å; L706-I710 WeakPolarHBondContact O-CD1 3.46Å; L706-I710 VanDerWaalsContact O-CG1 3.23Å; L706-I710 WeakPolarHBondContact O-CG1 3.43Å; L706-I710 PolarHBondContact O-N 3.21Å; R707-I710 PolarHBondContact O-N 3.27Å; I710-N715 PolarHBondContact O-N 3.38Å; I710-N715 PolarHBondContact O-ND2 3.32Å
711	E	72.4	Confident	78.1	Confident	129 Å²	129	72.6 Å²	72.6	60%	0.603	35%	0.346	S	S	*	.	I	π-helix	trans	-79.9	-39.7	-167.8	-157.3	172.5	-153.1	0	0	112.6	R707	R707-E711 WeakPolarHBondContact O-CB 3.31Å; R707-E711 PolarHBondContact O-N 3.32Å
712	H	67.4	Low	78.3	Confident	123 Å²	123	71.6 Å²	71.6	57%	0.569	34%	0.344	S	S	*	.	I	π-helix	trans	-98.1	-30.9	-174.6	-85.4	-62.1	0	0	0	115.5	R708 N716	R708-H712 WeakPolarHBondContact O-CB 3.42Å; R708-H712 PolarHBondContact O-N 2.64Å; H712-N716 WeakPolarHBondContact O-CB 3.27Å; H712-N716 PolarHBondContact O-ND2 3.3Å
713	I	69.3	Low	78.6	Confident	84 Å²	84	75.8 Å²	75.8	43%	0.431	37%	0.366	S	S	.	.	I	π-helix	trans	-98.1	-60.1	-172.8	-58.7	175.7	0	0	0	109.3	N709 E717	N709-I713 PolarHBondContact O-N 2.88Å; I713-E717 WeakPolarHBondContact O-CG 3.38Å; I713-E717 PolarHBondContact O-N 2.77Å; I713-E717 VanDerWaalsContact O-N 3.13Å
714	L	75.9	Confident	79.1	Confident	10 Å²	10	76.4 Å²	76.4	5%	0.052	37%	0.367	C	S	.	.	I	π-helix	trans	-70.2	-43.2	-173.2	-81.7	140	0	0	0	113.8	L469 E472 R473 L476 N709 N716 E717 I718	L469-L714 HydrophobicContact CB-CD2 4.24Å; L469-L714 HydrophobicContact CD2-CD2 3.94Å; L469-L714 WeakPolarHBondContact O-CD2 3.44Å; E472-L714 HydrophobicContact CB-CD2 4.21Å; E472-L714 HydrophobicContact CG-CD2 4.37Å; R473-L714 HydrophobicContact CB-CB 4.43Å; R473-L714 HydrophobicContact CB-CD2 4.29Å; L476-L714 HydrophobicContact CD1-CD1 3.47Å; L476-L714 VanDerWaalsContact CD1-CD1 3.47Å; N709-L714 PolarHBondContact O-N 3.05Å; L714-N716 PolarHBondContact O-N 3.42Å; L714-E717 PolarHBondContact O-N 3.12Å; L714-I718 WeakPolarHBondContact O-CB 3.47Å; L714-I718 WeakPolarHBondContact O-CD1 3.4Å; L714-I718 WeakPolarHBondContact O-CG1 3.41Å; L714-I718 PolarHBondContact O-N 3.13Å
715	N	80.3	Confident	79.6	Confident	46 Å²	46	72.2 Å²	72.2	25%	0.246	35%	0.347	C	S	.	.	H	α-helix	trans	-64.5	-42	178.7	-75.4	-23.5	0	0	0	112	I710 E717 I718 D719	I710-N715 PolarHBondContact O-N 3.38Å; I710-N715 PolarHBondContact O-ND2 3.32Å; N715-E717 PolarHBondContact O-N 3.13Å; N715-I718 PolarHBondContact O-N 3.19Å; N715-D719 WeakPolarHBondContact O-CB 3.35Å; N715-D719 VanDerWaalsContact O-CG 3.26Å; N715-D719 PolarHBondContact O-N 2.71Å
716	N	84.9	Confident	80.4	Confident	81 Å²	81	73.3 Å²	73.3	43%	0.433	35%	0.349	S	S	.	.	H	α-helix	trans	-64.8	-40.3	178.8	-78	-25.6	0	0	0	112.2	H712 L714 Q720	H712-N716 WeakPolarHBondContact O-CB 3.27Å; H712-N716 PolarHBondContact O-ND2 3.3Å; L714-N716 PolarHBondContact O-N 3.42Å; N716-Q720 VanDerWaalsContact O-CG 3.3Å; N716-Q720 WeakPolarHBondContact O-CG 3.32Å; N716-Q720 PolarHBondContact O-N 2.84Å
717	E	84.8	Confident	81.2	Confident	83 Å²	83	78.3 Å²	78.3	39%	0.388	37%	0.372	S	S	.	.	H	α-helix	trans	-68.4	-40.8	176.8	-73.3	-178.9	175.1	0	0	112.2	L469 I713 L714 N715 D719 Q720 L721	L469-E717 HydrophobicContact CD1-CB 3.97Å; I713-E717 WeakPolarHBondContact O-CG 3.38Å; I713-E717 PolarHBondContact O-N 2.77Å; I713-E717 VanDerWaalsContact O-N 3.13Å; L714-E717 PolarHBondContact O-N 3.12Å; N715-E717 PolarHBondContact O-N 3.13Å; E717-D719 PolarHBondContact O-N 3.04Å; E717-Q720 PolarHBondContact O-N 3.45Å; E717-L721 WeakPolarHBondContact O-CG 3.41Å; E717-L721 PolarHBondContact O-N 3.37Å
718	I	85.8	Confident	81.7	Confident	3 Å²	3	75 Å²	75	2%	0.015	36%	0.361	C	S	.	.	H	α-helix	trans	-61.8	-44.3	175.1	-70.7	168.6	0	0	0	110.7	L469 R473 L714 N715 Q720 L721 M722	L469-I718 HydrophobicContact CB-CD1 4.36Å; L469-I718 HydrophobicContact CB-CG1 3.95Å; R473-I718 HydrophobicContact CB-CD1 4.35Å; L714-I718 WeakPolarHBondContact O-CB 3.47Å; L714-I718 WeakPolarHBondContact O-CD1 3.4Å; L714-I718 WeakPolarHBondContact O-CG1 3.41Å; L714-I718 PolarHBondContact O-N 3.13Å; N715-I718 PolarHBondContact O-N 3.19Å; I718-Q720 VanDerWaalsContact C-N 3.33Å; I718-Q720 PolarHBondContact O-N 2.94Å; I718-L721 PolarHBondContact O-N 3.38Å; I718-M722 HydrophobicContact CG2-CE 3.63Å; I718-M722 HydrophobicContact CG2-SD 4.48Å; I718-M722 WeakPolarHBondContact O-CG 3.43Å; I718-M722 PolarHBondContact O-N 2.85Å
719	D	85.1	Confident	81.9	Confident	86 Å²	86	71.7 Å²	71.7	46%	0.46	35%	0.352	S	S	.	.	H	α-helix	trans	-64.6	-36.6	178.8	-73.5	-17.3	0	0	0	112	N715 E717 M722 N723	N715-D719 WeakPolarHBondContact O-CB 3.35Å; N715-D719 VanDerWaalsContact O-CG 3.26Å; N715-D719 PolarHBondContact O-N 2.71Å; E717-D719 PolarHBondContact O-N 3.04Å; D719-M722 PolarHBondContact O-N 3.31Å; D719-N723 PolarHBondContact O-N 3.46Å; D719-N723 PolarHBondContact O-ND2 2.91Å
720	Q	88.4	Confident	82.3	Confident	121 Å²	121	71.7 Å²	71.7	57%	0.565	35%	0.354	S	S	*	.	H	α-helix	trans	-63.6	-43.9	173.3	-75.3	177.7	12.4	0	0	112	N716 E717 I718 N723 Q724	N716-Q720 VanDerWaalsContact O-CG 3.3Å; N716-Q720 WeakPolarHBondContact O-CG 3.32Å; N716-Q720 PolarHBondContact O-N 2.84Å; E717-Q720 PolarHBondContact O-N 3.45Å; I718-Q720 VanDerWaalsContact C-N 3.33Å; I718-Q720 PolarHBondContact O-N 2.94Å; Q720-N723 PolarHBondContact O-N 2.92Å; Q720-Q724 WeakPolarHBondContact O-CG 3.21Å; Q720-Q724 PolarHBondContact O-N 3.5Å
721	L	88.4	Confident	82.7	Confident	23 Å²	23	75.4 Å²	75.4	12%	0.12	37%	0.371	C	S	.	.	H	α-helix	trans	-66.9	-38.2	177.8	-67.4	169.9	0	0	0	111.8	V462 K465 K466 L469 E717 I718 N723 Q724 M725	V462-L721 HydrophobicContact CG1-CB 4.14Å; V462-L721 HydrophobicContact CG1-CD2 3.89Å; V462-L721 WeakPolarHBondContact CG1-O 3.27Å; K465-L721 HydrophobicContact CB-CD1 4.19Å; K466-L721 HydrophobicContact CB-CB 4.02Å; K466-L721 HydrophobicContact CB-CD1 3.95Å; K466-L721 HydrophobicContact CG-CB 4.46Å; L469-L721 HydrophobicContact CD1-CD1 3.7Å; E717-L721 WeakPolarHBondContact O-CG 3.41Å; E717-L721 PolarHBondContact O-N 3.37Å; I718-L721 PolarHBondContact O-N 3.38Å; L721-N723 PolarHBondContact O-N 2.92Å; L721-Q724 PolarHBondContact O-N 3.28Å; L721-M725 WeakPolarHBondContact O-CG 3.14Å; L721-M725 PolarHBondContact O-N 3.28Å
722	M	85.1	Confident	83.1	Confident	84 Å²	84	70.3 Å²	70.3	41%	0.414	35%	0.347	S	S	.	.	H	α-helix	trans	-61.2	-43.5	173.9	-73.9	-171.1	-172.8	0	0	111.9	I718 D719 Q724 M725 Q726	I718-M722 HydrophobicContact CG2-CE 3.63Å; I718-M722 HydrophobicContact CG2-SD 4.48Å; I718-M722 WeakPolarHBondContact O-CG 3.43Å; I718-M722 PolarHBondContact O-N 2.85Å; D719-M722 PolarHBondContact O-N 3.31Å; M722-Q724 VanDerWaalsContact C-N 3.34Å; M722-Q724 PolarHBondContact O-N 3.09Å; M722-M725 PolarHBondContact O-N 2.91Å; M722-Q726 PolarHBondContact O-N 3.17Å
723	N	88.2	Confident	83.7	Confident	93 Å²	93	72.4 Å²	72.4	50%	0.497	35%	0.35	S	S	.	.	H	α-helix	trans	-62	-41.3	175.4	-80.1	-38.9	0	0	0	112.2	D719 Q720 L721 Q726 Q727	D719-N723 PolarHBondContact O-N 3.46Å; D719-N723 PolarHBondContact O-ND2 2.91Å; Q720-N723 PolarHBondContact O-N 2.92Å; L721-N723 PolarHBondContact O-N 2.92Å; N723-Q726 PolarHBondContact O-N 2.81Å; N723-Q727 WeakPolarHBondContact O-CG 3.32Å; N723-Q727 PolarHBondContact O-N 3.3Å; N723-Q727 VanDerWaalsContact O-N 3.07Å
724	Q	87.4	Confident	84.4	Confident	89 Å²	89	75.3 Å²	75.3	42%	0.416	36%	0.36	S	S	.	.	H	α-helix	trans	-62.5	-43.3	175.6	-72.6	178.4	2.1	0	0	111.9	V462 Q720 L721 M722 Q726 Q727 I728	V462-Q724 HydrophobicContact CG1-CB 4.18Å; Q720-Q724 WeakPolarHBondContact O-CG 3.21Å; Q720-Q724 PolarHBondContact O-N 3.5Å; L721-Q724 PolarHBondContact O-N 3.28Å; M722-Q724 VanDerWaalsContact C-N 3.34Å; M722-Q724 PolarHBondContact O-N 3.09Å; Q724-Q726 VanDerWaalsContact C-N 3.35Å; Q724-Q726 PolarHBondContact O-N 2.74Å; Q724-Q727 PolarHBondContact O-N 3.15Å; Q724-I728 WeakPolarHBondContact O-CG1 3.19Å; Q724-I728 PolarHBondContact O-N 2.97Å; Q724-I728 VanDerWaalsContact O-N 3.08Å
725	M	83.6	Confident	84.7	Confident	28 Å²	28	78 Å²	78	14%	0.138	37%	0.371	C	S	.	.	H	α-helix	trans	-59	-45.5	175.7	-74.5	178.8	69.5	0	0	111.7	Y459 V462 K463 L721 M722 Q727 I728 E729	Y459-M725 HydrophobicContact CD2-CB 4.42Å; Y459-M725 HydrophobicContact CD2-CE 4.32Å; Y459-M725 HydrophobicContact CD2-CG 4.44Å; Y459-M725 HydrophobicContact CE1-CE 4.14Å; Y459-M725 HydrophobicContact CE2-CB 4.07Å; Y459-M725 HydrophobicContact CE2-CE 3.47Å; Y459-M725 VanDerWaalsContact CE2-CE 3.47Å; Y459-M725 HydrophobicContact CE2-CG 4.25Å; Y459-M725 VanDerWaalsContact OH-CE 3.26Å; Y459-M725 WeakPolarHBondContact OH-CE 3.48Å; V462-M725 HydrophobicContact CB-CG 4.16Å; V462-M725 HydrophobicContact CG1-CG 3.54Å; V462-M725 HydrophobicContact CG1-SD 4.41Å; K463-M725 HydrophobicContact CB-CE 4.03Å; K463-M725 HydrophobicContact CB-SD 4.33Å; K463-M725 HydrophobicContact CG-CE 4.14Å; L721-M725 WeakPolarHBondContact O-CG 3.14Å; L721-M725 PolarHBondContact O-N 3.28Å; M722-M725 PolarHBondContact O-N 2.91Å; M725-Q727 VanDerWaalsContact C-N 3.33Å; M725-Q727 PolarHBondContact O-N 3.15Å; M725-I728 PolarHBondContact O-N 3.05Å; M725-E729 PolarHBondContact O-N 3.43Å
726	Q	84.4	Confident	84.6	Confident	124 Å²	124	79.3 Å²	79.3	58%	0.579	38%	0.375	S	S	*	.	H	α-helix	trans	-64.9	-36.9	-179.3	-166.3	175.5	4.1	0	0	112.3	M722 N723 Q724 T730	M722-Q726 PolarHBondContact O-N 3.17Å; N723-Q726 PolarHBondContact O-N 2.81Å; Q724-Q726 VanDerWaalsContact C-N 3.35Å; Q724-Q726 PolarHBondContact O-N 2.74Å; Q726-T730 WeakPolarHBondContact O-CB 3.48Å; Q726-T730 PolarHBondContact O-N 2.91Å; Q726-T730 PolarHBondContact O-OG1 2.9Å
727	Q	88.5	Confident	84.3	Confident	123 Å²	123	78.4 Å²	78.4	58%	0.575	38%	0.378	S	S	*	.	H	α-helix	trans	-63.5	-45.3	174.2	-72.5	177.1	7.4	0	0	111.9	N723 Q724 M725 T730 Q731	N723-Q727 WeakPolarHBondContact O-CG 3.32Å; N723-Q727 PolarHBondContact O-N 3.3Å; N723-Q727 VanDerWaalsContact O-N 3.07Å; Q724-Q727 PolarHBondContact O-N 3.15Å; M725-Q727 VanDerWaalsContact C-N 3.33Å; M725-Q727 PolarHBondContact O-N 3.15Å; Q727-T730 PolarHBondContact O-N 3.1Å; Q727-Q731 WeakPolarHBondContact O-CG 3.18Å; Q727-Q731 PolarHBondContact O-N 2.79Å
728	I	85.5	Confident	84.2	Confident	21 Å²	21	76.9 Å²	76.9	11%	0.108	38%	0.377	C	S	.	.	H	α-helix	trans	-62.5	-45.7	178.2	-66.6	167.1	0	0	0	110.5	L455 K458 Y459 V462 Q724 M725 T730 Q731 Q732	L455-I728 HydrophobicContact CB-CG2 4.22Å; L455-I728 HydrophobicContact CD2-CG2 4.21Å; L455-I728 WeakPolarHBondContact O-CG2 3.48Å; K458-I728 HydrophobicContact CB-CD1 4.12Å; Y459-I728 HydrophobicContact CD2-CG2 4.38Å; V462-I728 HydrophobicContact CG2-CD1 4.28Å; Q724-I728 WeakPolarHBondContact O-CG1 3.19Å; Q724-I728 PolarHBondContact O-N 2.97Å; Q724-I728 VanDerWaalsContact O-N 3.08Å; M725-I728 PolarHBondContact O-N 3.05Å; I728-T730 VanDerWaalsContact C-N 3.3Å; I728-T730 PolarHBondContact O-N 2.76Å; I728-Q731 WeakPolarHBondContact O-CB 2.91Å; I728-Q731 PolarHBondContact O-N 2.92Å; I728-Q731 VanDerWaalsContact O-N 3.13Å; I728-Q732 WeakPolarHBondContact O-CG 3.49Å; I728-Q732 PolarHBondContact O-N 2.98Å
729	E	81.1	Confident	84	Confident	73 Å²	73	79.9 Å²	79.9	34%	0.341	39%	0.388	S	S	.	.	H	α-helix	trans	-62	-39	179.2	-158.5	-167.1	154.3	0	0	111.8	M725 Q731 Q732 R733	M725-E729 PolarHBondContact O-N 3.43Å; E729-Q731 VanDerWaalsContact C-N 3.34Å; E729-Q731 PolarHBondContact O-N 3.46Å; E729-Q732 PolarHBondContact O-N 2.87Å; E729-R733 WeakPolarHBondContact O-CG 3.37Å; E729-R733 PolarHBondContact O-N 3.18Å; E729-R733 IonicContact OE1-CZ 2.77Å; E729-R733 IonicContact OE1-NE 3.02Å; E729-R733 IonicContact OE1-NH2 2.72Å; E729-R733 PolarHBondContact OE1-NH2 3.33Å
730	T	84.8	Confident	83.5	Confident	69 Å²	69	79.7 Å²	79.7	42%	0.423	39%	0.387	S	S	.	.	H	α-helix	trans	-65.2	-39	176	-51.3	0	0	0	0	111.5	Q726 Q727 I728 K734	Q726-T730 WeakPolarHBondContact O-CB 3.48Å; Q726-T730 PolarHBondContact O-N 2.91Å; Q726-T730 PolarHBondContact O-OG1 2.9Å; Q727-T730 PolarHBondContact O-N 3.1Å; I728-T730 VanDerWaalsContact C-N 3.3Å; I728-T730 PolarHBondContact O-N 2.76Å; T730-K734 WeakPolarHBondContact O-CG 3.35Å; T730-K734 PolarHBondContact O-N 3.47Å
731	Q	84.7	Confident	83.2	Confident	90 Å²	90	77 Å²	77	42%	0.421	38%	0.382	S	S	.	.	H	α-helix	trans	-65.5	-43.6	174.7	-71.1	178.4	3.9	0	0	111.4	L455 Q727 I728 E729 R733 K734 F735	L455-Q731 HydrophobicContact CD1-CB 3.88Å; L455-Q731 HydrophobicContact CD2-CB 4.41Å; Q727-Q731 WeakPolarHBondContact O-CG 3.18Å; Q727-Q731 PolarHBondContact O-N 2.79Å; I728-Q731 WeakPolarHBondContact O-CB 2.91Å; I728-Q731 PolarHBondContact O-N 2.92Å; I728-Q731 VanDerWaalsContact O-N 3.13Å; E729-Q731 VanDerWaalsContact C-N 3.34Å; E729-Q731 PolarHBondContact O-N 3.46Å; Q731-R733 VanDerWaalsContact C-N 3.33Å; Q731-R733 PolarHBondContact O-N 2.84Å; Q731-K734 WeakPolarHBondContact O-CB 3.43Å; Q731-K734 PolarHBondContact O-N 3.49Å; Q731-K734 VanDerWaalsContact O-N 3.16Å; Q731-F735 HydrophobicContact CB-CE2 4.49Å; Q731-F735 WeakPolarHBondContact O-CD2 3.4Å; Q731-F735 PolarHBondContact O-N 3.27Å
732	Q	81.7	Confident	83	Confident	22 Å²	22	76.7 Å²	76.7	10%	0.103	38%	0.38	C	S	.	.	H	α-helix	trans	-57.9	-44.1	176.1	-73.7	-175.4	-23.4	0	0	112.3	L455 D456 I728 E729 K734 F735 K736	L455-Q732 HydrophobicContact CB-CG 3.71Å; L455-Q732 HydrophobicContact CD1-CG 4.08Å; D456-Q732 PolarHBondContact OD1-NE2 3.18Å; I728-Q732 WeakPolarHBondContact O-CG 3.49Å; I728-Q732 PolarHBondContact O-N 2.98Å; E729-Q732 PolarHBondContact O-N 2.87Å; Q732-K734 VanDerWaalsContact C-N 3.32Å; Q732-K734 PolarHBondContact O-N 3.39Å; Q732-F735 PolarHBondContact O-N 2.91Å; Q732-K736 WeakPolarHBondContact O-CB 3.43Å; Q732-K736 PolarHBondContact O-N 3.44Å
733	R	79.2	Confident	82.6	Confident	168 Å²	168	75.7 Å²	75.7	63%	0.634	38%	0.376	S	S	*	.	H	α-helix	trans	-60.8	-40.5	176.7	-70.2	-177.3	-166.4	-164.3	6.3	112.4	E729 Q731 A737	E729-R733 WeakPolarHBondContact O-CG 3.37Å; E729-R733 PolarHBondContact O-N 3.18Å; E729-R733 IonicContact OE1-CZ 2.77Å; E729-R733 IonicContact OE1-NE 3.02Å; E729-R733 IonicContact OE1-NH2 2.72Å; E729-R733 PolarHBondContact OE1-NH2 3.33Å; Q731-R733 VanDerWaalsContact C-N 3.33Å; Q731-R733 PolarHBondContact O-N 2.84Å; R733-A737 WeakPolarHBondContact O-CB 3.47Å; R733-A737 PolarHBondContact O-N 2.88Å
734	K	84.7	Confident	82.1	Confident	145 Å²	145	74.9 Å²	74.9	63%	0.63	38%	0.377	S	S	*	.	H	α-helix	trans	-63	-46.4	176.7	-71.9	179.1	-179.5	-176.9	0	111.9	T730 Q731 Q732 A737 S738	T730-K734 WeakPolarHBondContact O-CG 3.35Å; T730-K734 PolarHBondContact O-N 3.47Å; Q731-K734 WeakPolarHBondContact O-CB 3.43Å; Q731-K734 PolarHBondContact O-N 3.49Å; Q731-K734 VanDerWaalsContact O-N 3.16Å; Q732-K734 VanDerWaalsContact C-N 3.32Å; Q732-K734 PolarHBondContact O-N 3.39Å; K734-A737 PolarHBondContact O-N 3.41Å; K734-S738 PolarHBondContact O-N 2.9Å
735	F	82.5	Confident	81.8	Confident	66 Å²	66	75.5 Å²	75.5	29%	0.289	38%	0.38	S	S	.	.	H	α-helix	trans	-68.1	-37.8	179	-74	-65.7	0	0	0	112.4	V448 R451 V452 L455 Q731 Q732 S738 R739	V448-F735 HydrophobicContact CG1-CB 4.2Å; V448-F735 HydrophobicContact CG1-CD1 4.42Å; V448-F735 VanDerWaalsContact CG1-O 3.26Å; V448-F735 WeakPolarHBondContact CG1-O 3.48Å; R451-F735 HydrophobicContact CG-CD1 4.48Å; R451-F735 HydrophobicContact CG-CD2 4.35Å; R451-F735 HydrophobicContact CG-CE1 4.09Å; R451-F735 HydrophobicContact CG-CE2 3.96Å; R451-F735 HydrophobicContact CG-CZ 3.82Å; V452-F735 HydrophobicContact CG2-CB 3.77Å; L455-F735 HydrophobicContact CD1-CD2 3.65Å; L455-F735 HydrophobicContact CD1-CE2 3.94Å; Q731-F735 HydrophobicContact CB-CE2 4.49Å; Q731-F735 WeakPolarHBondContact O-CD2 3.4Å; Q731-F735 PolarHBondContact O-N 3.27Å; Q732-F735 PolarHBondContact O-N 2.91Å; F735-S738 WeakPolarHBondContact O-CB 3.26Å; F735-S738 PolarHBondContact O-N 2.97Å; F735-R739 PolarHBondContact O-N 3.38Å
736	K	77.9	Confident	81.6	Confident	74 Å²	74	74.6 Å²	74.6	32%	0.322	38%	0.376	S	S	.	.	H	α-helix	trans	-61.3	-45.2	172.5	-77.4	-173.6	174.1	-170.2	0	112.2	Q732 S738 R739 D740 E861	Q732-K736 WeakPolarHBondContact O-CB 3.43Å; Q732-K736 PolarHBondContact O-N 3.44Å; K736-S738 VanDerWaalsContact C-N 3.32Å; K736-S738 PolarHBondContact O-N 3.06Å; K736-R739 WeakPolarHBondContact O-CB 3.37Å; K736-R739 PolarHBondContact O-N 3.07Å; K736-D740 PolarHBondContact O-N 3.48Å; K736-D740 VanDerWaalsContact O-N 3.14Å; K736-E861 IonicContact NZ-OE2 3.66Å
737	A	78.9	Confident	81.3	Confident	61 Å²	61	74.5 Å²	74.5	50%	0.504	37%	0.374	S	S	.	.	H	α-helix	trans	-62.7	-38.5	175.5	0	0	0	0	0	112.7	R733 K734 D740 S741	R733-A737 WeakPolarHBondContact O-CB 3.47Å; R733-A737 PolarHBondContact O-N 2.88Å; K734-A737 PolarHBondContact O-N 3.41Å; A737-D740 PolarHBondContact O-N 3.42Å; A737-S741 PolarHBondContact O-N 3.15Å; A737-S741 VanDerWaalsContact O-N 3.13Å
738	S	82.3	Confident	80.9	Confident	52 Å²	52	73.6 Å²	73.6	36%	0.364	37%	0.371	S	S	.	.	H	α-helix	trans	-62.2	-42.3	174.8	-167.4	0	0	0	0	111.9	K734 F735 K736 D740 S741 I742	K734-S738 PolarHBondContact O-N 2.9Å; F735-S738 WeakPolarHBondContact O-CB 3.26Å; F735-S738 PolarHBondContact O-N 2.97Å; K736-S738 VanDerWaalsContact C-N 3.32Å; K736-S738 PolarHBondContact O-N 3.06Å; S738-D740 PolarHBondContact O-N 3.09Å; S738-S741 PolarHBondContact O-N 3.49Å; S738-I742 VanDerWaalsContact O-CG1 3.32Å; S738-I742 WeakPolarHBondContact O-CG1 3.18Å; S738-I742 PolarHBondContact O-N 3.03Å; S738-I742 VanDerWaalsContact O-N 3.12Å
739	R	82.2	Confident	80.7	Confident	66 Å²	66	73.4 Å²	73.4	25%	0.249	37%	0.37	C	S	.	.	H	α-helix	trans	-58.5	-47.4	176.6	-175.3	-167.1	69.6	172.5	3.9	111.4	L445 V448 F735 K736 S741 I742 L743 E861	L445-R739 HydrophobicContact CD1-CG 3.89Å; V448-R739 HydrophobicContact CG1-CB 3.95Å; F735-R739 PolarHBondContact O-N 3.38Å; K736-R739 WeakPolarHBondContact O-CB 3.37Å; K736-R739 PolarHBondContact O-N 3.07Å; R739-S741 VanDerWaalsContact C-N 3.31Å; R739-S741 PolarHBondContact O-N 3.46Å; R739-I742 PolarHBondContact O-N 3.41Å; R739-L743 HydrophobicContact CG-CD1 4.3Å; R739-L743 PolarHBondContact O-N 3.16Å; R739-L743 VanDerWaalsContact O-N 3.08Å; R739-E861 IonicContact NH1-OE1 3.73Å
740	D	74.3	Confident	80.6	Confident	82 Å²	82	75.2 Å²	75.2	44%	0.439	38%	0.377	S	S	.	.	H	α-helix	trans	-67.6	-34.4	-176.5	-60.6	-14.4	0	0	0	111.5	K736 A737 S738 S744	K736-D740 PolarHBondContact O-N 3.48Å; K736-D740 VanDerWaalsContact O-N 3.14Å; A737-D740 PolarHBondContact O-N 3.42Å; S738-D740 PolarHBondContact O-N 3.09Å; D740-S744 PolarHBondContact O-N 3.37Å
741	S	82.4	Confident	80.3	Confident	65 Å²	65	77.1 Å²	77.1	46%	0.455	38%	0.381	S	S	.	.	H	α-helix	trans	-62.5	-47.2	172.6	-167.6	0	0	0	0	112.2	A737 S738 R739 L743 S744 E745	A737-S741 PolarHBondContact O-N 3.15Å; A737-S741 VanDerWaalsContact O-N 3.13Å; S738-S741 PolarHBondContact O-N 3.49Å; R739-S741 VanDerWaalsContact C-N 3.31Å; R739-S741 PolarHBondContact O-N 3.46Å; S741-L743 PolarHBondContact O-N 2.87Å; S741-S744 PolarHBondContact O-N 3.28Å; S741-E745 PolarHBondContact O-N 3.27Å; S741-E745 VanDerWaalsContact O-N 3.15Å
742	I	82.9	Confident	79.9	Confident	16 Å²	16	77.9 Å²	77.9	8%	0.082	38%	0.383	C	S	.	.	H	α-helix	trans	-61.2	-44	179.6	-68.2	166.2	0	0	0	110.7	L441 D444 L445 V448 S738 R739 S744 E745 M746	L441-I742 HydrophobicContact CB-CG2 4.1Å; L441-I742 HydrophobicContact CD2-CG1 4.47Å; L441-I742 HydrophobicContact CD2-CG2 4.15Å; L441-I742 WeakPolarHBondContact O-CG2 3.45Å; D444-I742 HydrophobicContact CB-CD1 4.06Å; L445-I742 HydrophobicContact CB-CG2 4.13Å; L445-I742 HydrophobicContact CD1-CB 4.26Å; L445-I742 HydrophobicContact CD1-CG2 3.89Å; V448-I742 HydrophobicContact CG2-CD1 4.25Å; S738-I742 VanDerWaalsContact O-CG1 3.32Å; S738-I742 WeakPolarHBondContact O-CG1 3.18Å; S738-I742 PolarHBondContact O-N 3.03Å; S738-I742 VanDerWaalsContact O-N 3.12Å; R739-I742 PolarHBondContact O-N 3.41Å; I742-S744 VanDerWaalsContact C-N 3.32Å; I742-S744 PolarHBondContact O-N 3.01Å; I742-E745 PolarHBondContact O-N 3.17Å; I742-M746 HydrophobicContact CG2-CG 4.46Å; I742-M746 HydrophobicContact CG2-SD 4.34Å; I742-M746 WeakPolarHBondContact O-CG 3.43Å; I742-M746 PolarHBondContact O-N 3.37Å
743	L	77.3	Confident	79.9	Confident	62 Å²	62	81.2 Å²	81.2	33%	0.325	39%	0.394	S	S	.	.	H	α-helix	trans	-59.2	-40.9	177.4	-76.8	167	0	0	0	112.7	L445 R739 S741 K747	L445-L743 HydrophobicContact CD1-CD2 4.04Å; L445-L743 HydrophobicContact CD1-CG 3.82Å; L445-L743 HydrophobicContact CD2-CD2 4.31Å; R739-L743 HydrophobicContact CG-CD1 4.3Å; R739-L743 PolarHBondContact O-N 3.16Å; R739-L743 VanDerWaalsContact O-N 3.08Å; S741-L743 PolarHBondContact O-N 2.87Å; L743-K747 PolarHBondContact O-N 2.92Å
744	S	77.3	Confident	79.7	Confident	76 Å²	76	77.8 Å²	77.8	53%	0.531	39%	0.385	S	S	.	.	H	α-helix	trans	-65.4	-41.1	177.5	-173.5	0	0	0	0	112.2	D740 S741 I742 K747 M748	D740-S744 PolarHBondContact O-N 3.37Å; S741-S744 PolarHBondContact O-N 3.28Å; I742-S744 VanDerWaalsContact C-N 3.32Å; I742-S744 PolarHBondContact O-N 3.01Å; S744-K747 PolarHBondContact O-N 2.95Å; S744-M748 PolarHBondContact O-N 3.33Å
745	E	81.9	Confident	79.2	Confident	102 Å²	102	77.4 Å²	77.4	48%	0.477	39%	0.386	S	S	.	.	H	α-helix	trans	-66.7	-41.8	177.7	-73.4	-177.1	-173.3	0	0	112.4	L441 S741 I742 K747 M748 L749	L441-E745 HydrophobicContact CD1-CB 3.86Å; S741-E745 PolarHBondContact O-N 3.27Å; S741-E745 VanDerWaalsContact O-N 3.15Å; I742-E745 PolarHBondContact O-N 3.17Å; E745-K747 VanDerWaalsContact C-N 3.29Å; E745-K747 PolarHBondContact O-N 2.63Å; E745-M748 PolarHBondContact O-N 3.02Å; E745-L749 WeakPolarHBondContact O-CG 3.42Å; E745-L749 PolarHBondContact O-N 3.13Å
746	M	78.6	Confident	79	Confident	9 Å²	9	75.6 Å²	75.6	4%	0.044	38%	0.381	C	S	.	.	H	α-helix	trans	-59.8	-39.7	175.4	-71.1	-172.9	99.7	0	0	112.3	Y438 L441 D442 I742 L749 K750	Y438-M746 HydrophobicContact CD1-CE 3.94Å; Y438-M746 HydrophobicContact CD2-CB 4.13Å; Y438-M746 HydrophobicContact CD2-CE 4.04Å; Y438-M746 HydrophobicContact CD2-CG 4.43Å; Y438-M746 HydrophobicContact CE1-CE 3.65Å; Y438-M746 HydrophobicContact CE2-CB 3.9Å; Y438-M746 HydrophobicContact CE2-CE 3.8Å; Y438-M746 HydrophobicContact CE2-CG 4.41Å; Y438-M746 HydrophobicContact CG-CE 4.11Å; Y438-M746 VanDerWaalsContact O-CE 3.28Å; Y438-M746 WeakPolarHBondContact O-CE 3.39Å; L441-M746 HydrophobicContact CB-CE 4.29Å; L441-M746 HydrophobicContact CB-CG 3.62Å; L441-M746 HydrophobicContact CB-SD 4.18Å; L441-M746 HydrophobicContact CD1-CG 4.07Å; L441-M746 HydrophobicContact CG-CG 4.49Å; D442-M746 VanDerWaalsContact CA-CE 3.49Å; D442-M746 HydrophobicContact CB-CE 3.45Å; D442-M746 VanDerWaalsContact CB-CE 3.45Å; I742-M746 HydrophobicContact CG2-CG 4.46Å; I742-M746 HydrophobicContact CG2-SD 4.34Å; I742-M746 WeakPolarHBondContact O-CG 3.43Å; I742-M746 PolarHBondContact O-N 3.37Å; M746-L749 PolarHBondContact O-N 2.96Å; M746-K750 PolarHBondContact O-N 2.94Å; M746-K750 VanDerWaalsContact O-N 3.1Å
747	K	78.3	Confident	78.8	Confident	123 Å²	123	76.4 Å²	76.4	54%	0.535	39%	0.386	S	S	.	.	H	α-helix	trans	-62.6	-46.4	177.1	-170.6	177	179.2	179.2	0	111.8	L743 S744 E745 L749 K750 E751	L743-K747 PolarHBondContact O-N 2.92Å; S744-K747 PolarHBondContact O-N 2.95Å; E745-K747 VanDerWaalsContact C-N 3.29Å; E745-K747 PolarHBondContact O-N 2.63Å; K747-L749 PolarHBondContact O-N 3.39Å; K747-K750 PolarHBondContact O-N 3.45Å; K747-E751 PolarHBondContact O-N 3.36Å; K747-E751 VanDerWaalsContact O-N 3.11Å
748	M	80.1	Confident	78.7	Confident	104 Å²	104	81.4 Å²	81.4	51%	0.512	40%	0.397	S	S	.	.	H	α-helix	trans	-60.2	-42.5	177.1	-78.9	-95.3	-78.8	0	0	112.7	S744 E745 E751 K752	S744-M748 PolarHBondContact O-N 3.33Å; E745-M748 PolarHBondContact O-N 3.02Å; M748-E751 PolarHBondContact O-N 3.14Å; M748-K752 WeakPolarHBondContact O-CG 3.4Å; M748-K752 PolarHBondContact O-N 2.84Å; M748-K752 VanDerWaalsContact O-N 3.07Å
749	L	82.8	Confident	78.4	Confident	17 Å²	17	82 Å²	82	9%	0.089	40%	0.398	C	S	.	.	H	α-helix	trans	-65.8	-38.3	178.2	-72.8	169.2	0	0	0	112.2	N434 Q437 L441 E745 M746 K747 K752 R753	N434-L749 HydrophobicContact CB-CD2 4.48Å; Q437-L749 HydrophobicContact CB-CD1 3.76Å; Q437-L749 HydrophobicContact CB-CD2 4.29Å; L441-L749 HydrophobicContact CD1-CD1 3.65Å; E745-L749 WeakPolarHBondContact O-CG 3.42Å; E745-L749 PolarHBondContact O-N 3.13Å; M746-L749 PolarHBondContact O-N 2.96Å; K747-L749 PolarHBondContact O-N 3.39Å; L749-K752 PolarHBondContact O-N 2.88Å; L749-R753 WeakPolarHBondContact O-CB 3.38Å; L749-R753 PolarHBondContact O-N 3.31Å; L749-R753 VanDerWaalsContact O-N 3.07Å
750	K	78.1	Confident	78.3	Confident	111 Å²	111	81.1 Å²	81.1	48%	0.483	40%	0.396	S	S	.	.	H	α-helix	trans	-64	-42.6	176.6	-168	176.5	179.8	-178.4	0	111.8	Y438 M746 K747 R753 Q754	Y438-K750 HydrophobicContact CE2-CB 4.47Å; M746-K750 PolarHBondContact O-N 2.94Å; M746-K750 VanDerWaalsContact O-N 3.1Å; K747-K750 PolarHBondContact O-N 3.45Å; K750-R753 PolarHBondContact O-N 3.44Å; K750-Q754 PolarHBondContact O-N 3.33Å; K750-Q754 VanDerWaalsContact O-N 3.16Å
751	E	77.6	Confident	78.3	Confident	109 Å²	109	82 Å²	82	51%	0.509	40%	0.399	S	S	.	.	H	α-helix	trans	-64.9	-45.9	176.5	-74.4	177.3	-176.3	0	0	112.2	K747 M748 R753 Q754 Q755	K747-E751 PolarHBondContact O-N 3.36Å; K747-E751 VanDerWaalsContact O-N 3.11Å; M748-E751 PolarHBondContact O-N 3.14Å; E751-R753 VanDerWaalsContact C-N 3.29Å; E751-R753 PolarHBondContact O-N 3.04Å; E751-Q754 PolarHBondContact O-N 3.14Å; E751-Q755 PolarHBondContact O-N 3.4Å
752	K	78.1	Confident	77.9	Confident	106 Å²	106	82.9 Å²	82.9	46%	0.461	40%	0.403	S	S	.	.	H	α-helix	trans	-57.2	-42.7	175.9	-75.3	177.6	-179.8	178.3	0	112.1	M748 L749 Q755 S756	M748-K752 WeakPolarHBondContact O-CG 3.4Å; M748-K752 PolarHBondContact O-N 2.84Å; M748-K752 VanDerWaalsContact O-N 3.07Å; L749-K752 PolarHBondContact O-N 2.88Å; K752-Q755 PolarHBondContact O-N 3.16Å; K752-S756 PolarHBondContact O-N 2.69Å; K752-S756 VanDerWaalsContact O-N 3.12Å; K752-S756 PolarHBondContact O-OG 3.3Å
753	R	80.2	Confident	77.6	Confident	92 Å²	92	85 Å²	85	35%	0.347	41%	0.412	S	S	.	.	H	α-helix	trans	-62.2	-45.9	177.5	-177.3	-177.9	161	-168.3	-0.2	112.2	K431 L435 L749 K750 E751 Q755 S756 E757	K431-R753 HydrophobicContact CG-CG 4.05Å; L435-R753 VanDerWaalsContact CD1-NH1 3.33Å; L749-R753 WeakPolarHBondContact O-CB 3.38Å; L749-R753 PolarHBondContact O-N 3.31Å; L749-R753 VanDerWaalsContact O-N 3.07Å; K750-R753 PolarHBondContact O-N 3.44Å; E751-R753 VanDerWaalsContact C-N 3.29Å; E751-R753 PolarHBondContact O-N 3.04Å; R753-Q755 VanDerWaalsContact C-N 3.27Å; R753-Q755 PolarHBondContact O-N 3.2Å; R753-S756 PolarHBondContact O-N 3.45Å; R753-E757 PolarHBondContact O-N 3.06Å
754	Q	75.2	Confident	77.5	Confident	95 Å²	95	85.7 Å²	85.7	44%	0.444	41%	0.413	S	S	.	.	H	α-helix	trans	-61.9	-35.7	176.6	-84.4	-173.2	-11.9	0	0	112.4	K750 E751 E757 K758	K750-Q754 PolarHBondContact O-N 3.33Å; K750-Q754 VanDerWaalsContact O-N 3.16Å; E751-Q754 PolarHBondContact O-N 3.14Å; Q754-E757 PolarHBondContact O-N 3.5Å; Q754-K758 PolarHBondContact O-N 3.47Å
755	Q	75.6	Confident	77.4	Confident	137 Å²	137	89.7 Å²	89.7	64%	0.64	42%	0.416	S	S	*	.	H	α-helix	trans	-68.4	-43.2	179.2	-164.8	169.4	9.2	0	0	112.2	E751 K752 R753 E757 K758 T759	E751-Q755 PolarHBondContact O-N 3.4Å; K752-Q755 PolarHBondContact O-N 3.16Å; R753-Q755 VanDerWaalsContact C-N 3.27Å; R753-Q755 PolarHBondContact O-N 3.2Å; Q755-E757 VanDerWaalsContact C-N 3.28Å; Q755-E757 PolarHBondContact O-N 3Å; Q755-K758 PolarHBondContact O-N 3.27Å; Q755-T759 PolarHBondContact O-N 3.04Å
756	S	77.4	Confident	77	Confident	28 Å²	28	87.2 Å²	87.2	20%	0.196	41%	0.41	C	S	.	.	H	α-helix	trans	-59.7	-39	174	-61.7	0	0	0	0	112.2	K752 R753 K758 T759 F760	K752-S756 PolarHBondContact O-N 2.69Å; K752-S756 VanDerWaalsContact O-N 3.12Å; K752-S756 PolarHBondContact O-OG 3.3Å; R753-S756 PolarHBondContact O-N 3.45Å; S756-K758 PolarHBondContact O-N 3.3Å; S756-T759 PolarHBondContact O-N 2.99Å; S756-T759 PolarHBondContact O-OG1 2.93Å; S756-F760 PolarHBondContact O-N 3.27Å
757	E	74.3	Confident	77	Confident	92 Å²	92	87.5 Å²	87.5	43%	0.43	41%	0.412	S	S	.	.	H	α-helix	trans	-65.7	-37	179.5	-165.8	156.2	-134.1	0	0	112.7	K431 R753 Q754 Q755 T759	K431-E757 WeakPolarHBondContact CE-OE1 3.34Å; K431-E757 IonicContact NZ-OE1 3.86Å; K431-E757 PolarHBondContact NZ-OE1 3.4Å; R753-E757 PolarHBondContact O-N 3.06Å; Q754-E757 PolarHBondContact O-N 3.5Å; Q755-E757 VanDerWaalsContact C-N 3.28Å; Q755-E757 PolarHBondContact O-N 3Å; E757-T759 VanDerWaalsContact C-N 3.32Å; E757-T759 PolarHBondContact O-N 3.38Å
758	K	75.7	Confident	76.9	Confident	165 Å²	165	87.3 Å²	87.3	72%	0.717	41%	0.413	S	S	*	.	H	α-helix	trans	-65.3	-32	174.7	-72.7	-179.8	-179.2	179.1	0	113.4	Q754 Q755 S756 P762	Q754-K758 PolarHBondContact O-N 3.47Å; Q755-K758 PolarHBondContact O-N 3.27Å; S756-K758 PolarHBondContact O-N 3.3Å; K758-P762 WeakPolarHBondContact O-CD 3.3Å
759	T	76.6	Confident	76.7	Confident	64 Å²	64	85.7 Å²	85.7	39%	0.393	41%	0.412	S	S	.	.	H	α-helix	trans	-82.5	-17.7	-177.1	52.9	0	0	0	0	114.4	Q755 S756 E757	Q755-T759 PolarHBondContact O-N 3.04Å; S756-T759 PolarHBondContact O-N 2.99Å; S756-T759 PolarHBondContact O-OG1 2.93Å; E757-T759 VanDerWaalsContact C-N 3.32Å; E757-T759 PolarHBondContact O-N 3.38Å
760	F	80.3	Confident	76.4	Confident	48 Å²	48	85.8 Å²	85.8	21%	0.211	41%	0.413	C	S	.	.	H	α-helix	trans	-71.6	-51.3	-174.1	-173.4	-93.2	0	0	0	112.8	L424 E428 S756 K763 Q764	L424-F760 HydrophobicContact CB-CE2 4.38Å; L424-F760 HydrophobicContact CD2-CD2 3.6Å; L424-F760 HydrophobicContact CD2-CE2 3.63Å; L424-F760 HydrophobicContact CD2-CG 4.08Å; L424-F760 HydrophobicContact CD2-CZ 4.12Å; E428-F760 HydrophobicContact CB-CE2 4.33Å; S756-F760 PolarHBondContact O-N 3.27Å; F760-K763 PolarHBondContact O-N 3.39Å; F760-Q764 PolarHBondContact O-N 3.49Å; F760-Q764 VanDerWaalsContact O-N 3.14Å
761	M	72.9	Confident	76.5	Confident	102 Å²	102	84.8 Å²	84.8	50%	0.502	41%	0.41	S	S	.	.	H	α-helix	trans	-59.9	-42.6	-174.2	-71.9	-65.1	-76.3	0	0	114.8	K763 Q764 R765	M761-K763 PolarHBondContact O-N 3.22Å; M761-Q764 PolarHBondContact O-N 3.49Å; M761-R765 PolarHBondContact O-N 3.45Å
762	P	75.6	Confident	76.3	Confident	82 Å²	82	82.9 Å²	82.9	53%	0.532	41%	0.412	S	S	.	.	H	α-helix	trans	-64.3	-38.1	176.6	-23.2	34.8	0	0	0	113.5	K758 R765 S766	K758-P762 WeakPolarHBondContact O-CD 3.3Å; P762-R765 PolarHBondContact O-N 3.2Å; P762-S766 PolarHBondContact O-N 3.43Å; P762-S766 VanDerWaalsContact O-N 3.1Å
763	K	76.4	Confident	76.2	Confident	62 Å²	62	79.8 Å²	79.8	27%	0.27	40%	0.404	S	S	.	.	H	α-helix	trans	-65.8	-39.9	178.3	-72.3	-171	178.9	-165.8	0	111.4	I420 D423 L424 F760 M761 S766 L767	I420-K763 HydrophobicContact CG2-CB 4.47Å; D423-K763 HydrophobicContact CB-CD 4.36Å; D423-K763 IonicContact OD2-NZ 2.67Å; D423-K763 PolarHBondContact OD2-NZ 2.96Å; L424-K763 HydrophobicContact CD2-CB 3.8Å; L424-K763 HydrophobicContact CG-CB 4.13Å; F760-K763 PolarHBondContact O-N 3.39Å; M761-K763 PolarHBondContact O-N 3.22Å; K763-S766 WeakPolarHBondContact O-CB 3.48Å; K763-S766 PolarHBondContact O-N 2.88Å; K763-L767 PolarHBondContact O-N 3.49Å; K763-L767 VanDerWaalsContact O-N 3.11Å
764	Q	75.4	Confident	76.3	Confident	75 Å²	75	76.4 Å²	76.4	35%	0.35	39%	0.393	S	S	.	.	H	α-helix	trans	-63.5	-40.9	176.3	-164.7	175.7	15.6	0	0	112.6	L424 F760 M761 L767 Q768	L424-Q764 HydrophobicContact CD2-CB 4.4Å; F760-Q764 PolarHBondContact O-N 3.49Å; F760-Q764 VanDerWaalsContact O-N 3.14Å; M761-Q764 PolarHBondContact O-N 3.49Å; Q764-L767 PolarHBondContact O-N 3.38Å; Q764-Q768 PolarHBondContact O-N 3.38Å
765	R	73.4	Confident	76.4	Confident	160 Å²	160	76.5 Å²	76.5	60%	0.604	39%	0.393	S	S	*	.	H	α-helix	trans	-63.9	-39.6	173.9	-70.6	179.5	-179.8	-179.6	-0.8	112.5	M761 P762 L767 Q768 S769	M761-R765 PolarHBondContact O-N 3.45Å; P762-R765 PolarHBondContact O-N 3.2Å; R765-L767 VanDerWaalsContact C-N 3.33Å; R765-L767 PolarHBondContact O-N 2.88Å; R765-Q768 PolarHBondContact O-N 2.91Å; R765-S769 PolarHBondContact O-N 2.97Å
766	S	73.8	Confident	76.3	Confident	50 Å²	50	72.7 Å²	72.7	35%	0.35	39%	0.385	S	S	.	.	H	α-helix	trans	-62.8	-40.2	177.8	-170.1	0	0	0	0	111.8	P762 K763 S769 L770	P762-S766 PolarHBondContact O-N 3.43Å; P762-S766 VanDerWaalsContact O-N 3.1Å; K763-S766 WeakPolarHBondContact O-CB 3.48Å; K763-S766 PolarHBondContact O-N 2.88Å; S766-S769 PolarHBondContact O-N 2.94Å; S766-S769 PolarHBondContact O-OG 3.32Å; S766-L770 WeakPolarHBondContact O-CG 3.49Å; S766-L770 PolarHBondContact O-N 2.99Å
767	L	80.3	Confident	76.3	Confident	16 Å²	16	73.8 Å²	73.8	8%	0.084	39%	0.388	C	S	.	.	H	α-helix	trans	-58.9	-50.8	178.5	-170.6	69.3	0	0	0	111.6	I417 I420 L424 K763 Q764 R765 S769 L770 E771	I417-L767 HydrophobicContact CB-CD1 4.26Å; I417-L767 HydrophobicContact CG2-CD1 3.69Å; I417-L767 WeakPolarHBondContact O-CD1 3.32Å; I420-L767 HydrophobicContact CB-CD1 4.14Å; I420-L767 HydrophobicContact CG2-CB 4.09Å; I420-L767 HydrophobicContact CG2-CD1 4.06Å; L424-L767 HydrophobicContact CD1-CD2 4.18Å; K763-L767 PolarHBondContact O-N 3.49Å; K763-L767 VanDerWaalsContact O-N 3.11Å; Q764-L767 PolarHBondContact O-N 3.38Å; R765-L767 VanDerWaalsContact C-N 3.33Å; R765-L767 PolarHBondContact O-N 2.88Å; L767-S769 VanDerWaalsContact C-N 3.3Å; L767-S769 PolarHBondContact O-N 3.27Å; L767-L770 PolarHBondContact O-N 3.43Å; L767-L770 VanDerWaalsContact O-N 3.1Å; L767-E771 PolarHBondContact O-N 3.4Å; L767-E771 VanDerWaalsContact O-N 3.1Å
768	Q	75.1	Confident	76.5	Confident	118 Å²	118	71.8 Å²	71.8	55%	0.551	38%	0.378	S	S	*	.	H	α-helix	trans	-58.5	-39.6	180	-69.5	177.6	-14.5	0	0	112.6	Q764 R765 L770 A772	Q764-Q768 PolarHBondContact O-N 3.38Å; R765-Q768 PolarHBondContact O-N 2.91Å; Q768-L770 PolarHBondContact O-N 3.13Å; Q768-A772 PolarHBondContact O-N 3.27Å
769	S	75.9	Confident	76.4	Confident	71 Å²	71	65.5 Å²	65.5	50%	0.497	36%	0.355	S	S	.	.	H	α-helix	trans	-67	-34.9	178.1	76.5	0	0	0	0	113.4	R765 S766 L767 S773	R765-S769 PolarHBondContact O-N 2.97Å; S766-S769 PolarHBondContact O-N 2.94Å; S766-S769 PolarHBondContact O-OG 3.32Å; L767-S769 VanDerWaalsContact C-N 3.3Å; L767-S769 PolarHBondContact O-N 3.27Å; S769-S773 PolarHBondContact O-N 2.98Å
770	L	77.3	Confident	76.3	Confident	19 Å²	19	63.7 Å²	63.7	10%	0.099	34%	0.344	C	S	.	.	H	α-helix	trans	-75.4	-37.1	-178.6	-72.4	168.7	0	0	0	111.6	K413 Q416 I417 I420 S766 L767 Q768 S773 L774	K413-L770 HydrophobicContact CD-CD2 3.9Å; Q416-L770 HydrophobicContact CB-CD1 4.4Å; I417-L770 HydrophobicContact CD1-CB 4.19Å; I417-L770 HydrophobicContact CG1-CB 3.71Å; I420-L770 HydrophobicContact CD1-CD1 3.51Å; S766-L770 WeakPolarHBondContact O-CG 3.49Å; S766-L770 PolarHBondContact O-N 2.99Å; L767-L770 PolarHBondContact O-N 3.43Å; L767-L770 VanDerWaalsContact O-N 3.1Å; Q768-L770 PolarHBondContact O-N 3.13Å; L770-S773 PolarHBondContact O-N 2.89Å; L770-L774 WeakPolarHBondContact O-CB 3.25Å; L770-L774 PolarHBondContact O-N 3.28Å
771	E	78.5	Confident	76.3	Confident	90 Å²	90	64.7 Å²	64.7	42%	0.421	35%	0.346	S	S	.	.	H	α-helix	trans	-63.6	-43.8	174.8	-72.4	174.3	166.6	0	0	111.9	I417 L767 S773 L774 H775	I417-E771 HydrophobicContact CD1-CG 3.88Å; I417-E771 HydrophobicContact CG1-CG 4.29Å; I417-E771 HydrophobicContact CG2-CG 4.14Å; L767-E771 PolarHBondContact O-N 3.4Å; L767-E771 VanDerWaalsContact O-N 3.1Å; E771-S773 VanDerWaalsContact C-N 3.34Å; E771-S773 PolarHBondContact O-N 2.97Å; E771-L774 WeakPolarHBondContact O-CB 3.32Å; E771-L774 PolarHBondContact O-N 2.83Å; E771-H775 PolarHBondContact O-N 2.89Å; E771-H775 VanDerWaalsContact O-N 3.12Å
772	A	74.2	Confident	76.6	Confident	68 Å²	68	65.8 Å²	65.8	56%	0.562	35%	0.35	S	S	*	.	H	α-helix	trans	-61.7	-40.8	175.3	0	0	0	0	0	112.3	Q768 A776	Q768-A772 PolarHBondContact O-N 3.27Å; A772-A776 PolarHBondContact O-N 3.37Å
773	S	75.6	Confident	76.4	Confident	42 Å²	42	63.2 Å²	63.2	29%	0.294	34%	0.335	S	S	.	.	H	α-helix	trans	-66.5	-35.3	175.7	179.2	0	0	0	0	112.8	S769 L770 E771 M777	S769-S773 PolarHBondContact O-N 2.98Å; L770-S773 PolarHBondContact O-N 2.89Å; E771-S773 VanDerWaalsContact C-N 3.34Å; E771-S773 PolarHBondContact O-N 2.97Å; S773-M777 WeakPolarHBondContact O-CG 3.48Å; S773-M777 PolarHBondContact O-N 3.42Å
774	L	82.5	Confident	76.2	Confident	20 Å²	20	61.1 Å²	61.1	11%	0.105	33%	0.326	C	S	.	.	H	α-helix	trans	-65.2	-46.1	178.4	179.1	67.7	0	0	0	111	I410 K413 K414 I417 L770 E771 A776 M777 E778	I410-L774 HydrophobicContact CB-CD1 4.28Å; I410-L774 HydrophobicContact CG2-CD1 3.71Å; I410-L774 WeakPolarHBondContact O-CD1 3.4Å; K413-L774 HydrophobicContact CB-CD1 3.93Å; K414-L774 HydrophobicContact CD-CD2 4.42Å; K414-L774 HydrophobicContact CG-CD1 3.87Å; K414-L774 HydrophobicContact CG-CD2 3.61Å; K414-L774 HydrophobicContact CG-CG 4.4Å; I417-L774 HydrophobicContact CD1-CB 4.23Å; I417-L774 HydrophobicContact CD1-CD2 3.82Å; L770-L774 WeakPolarHBondContact O-CB 3.25Å; L770-L774 PolarHBondContact O-N 3.28Å; E771-L774 WeakPolarHBondContact O-CB 3.32Å; E771-L774 PolarHBondContact O-N 2.83Å; L774-A776 VanDerWaalsContact C-N 3.31Å; L774-A776 PolarHBondContact O-N 3.04Å; L774-M777 PolarHBondContact O-N 3.48Å; L774-M777 VanDerWaalsContact O-N 3.16Å; L774-E778 PolarHBondContact O-N 3.39Å
775	H	77.2	Confident	76.3	Confident	98 Å²	98	64.4 Å²	64.4	45%	0.454	34%	0.339	S	S	.	.	H	α-helix	trans	-61.7	-38.7	179.9	-170	-85.2	0	0	0	112.3	E771 E778 S779	E771-H775 PolarHBondContact O-N 2.89Å; E771-H775 VanDerWaalsContact O-N 3.12Å; H775-E778 PolarHBondContact O-N 3.31Å; H775-S779 PolarHBondContact O-N 2.84Å
776	A	73.4	Confident	76.3	Confident	56 Å²	56	60.4 Å²	60.4	46%	0.463	34%	0.341	S	S	.	.	H	α-helix	trans	-62.5	-41.5	174.9	0	0	0	0	0	112.6	A772 L774 S779 T780	A772-A776 PolarHBondContact O-N 3.37Å; L774-A776 VanDerWaalsContact C-N 3.31Å; L774-A776 PolarHBondContact O-N 3.04Å; A776-S779 PolarHBondContact O-N 3.41Å; A776-T780 PolarHBondContact O-N 2.7Å
777	M	77.2	Confident	76.2	Confident	52 Å²	52	59 Å²	59	26%	0.256	33%	0.328	S	S	.	.	H	α-helix	trans	-68.6	-33.1	177.7	-68.5	179.4	179.9	0	0	112.8	L406 A409 I410 K413 S773 L774 T780 R781	L406-M777 HydrophobicContact CD2-CB 4.31Å; A409-M777 HydrophobicContact CB-SD 4.3Å; I410-M777 HydrophobicContact CD1-CB 4.17Å; I410-M777 HydrophobicContact CG1-CB 3.68Å; K413-M777 HydrophobicContact CG-SD 4.39Å; S773-M777 WeakPolarHBondContact O-CG 3.48Å; S773-M777 PolarHBondContact O-N 3.42Å; L774-M777 PolarHBondContact O-N 3.48Å; L774-M777 VanDerWaalsContact O-N 3.16Å; M777-T780 PolarHBondContact O-OG1 3.24Å; M777-R781 PolarHBondContact O-N 2.97Å
778	E	79	Confident	75.7	Confident	49 Å²	49	61.6 Å²	61.6	23%	0.229	34%	0.342	C	S	.	.	H	α-helix	trans	-68.6	-37.9	176.4	-73.6	-179.5	155.1	0	0	111.9	I410 K414 L774 H775 R781 E782	I410-E778 HydrophobicContact CD1-CG 4Å; I410-E778 HydrophobicContact CG1-CG 4.42Å; I410-E778 HydrophobicContact CG2-CG 4.09Å; K414-E778 WeakPolarHBondContact CE-OE1 3.3Å; K414-E778 IonicContact NZ-OE1 3.75Å; K414-E778 PolarHBondContact NZ-OE1 3.37Å; L774-E778 PolarHBondContact O-N 3.39Å; H775-E778 PolarHBondContact O-N 3.31Å; E778-R781 WeakPolarHBondContact O-CB 3.38Å; E778-R781 PolarHBondContact O-N 3.23Å; E778-E782 PolarHBondContact O-N 3.26Å; E778-E782 VanDerWaalsContact O-N 3.15Å
779	S	74.3	Confident	75.1	Confident	33 Å²	33	57.8 Å²	57.8	23%	0.231	34%	0.335	C	S	.	.	H	α-helix	trans	-64.4	-41.6	177.1	-171.8	0	0	0	0	112.9	H775 A776 R781 E782 S783	H775-S779 PolarHBondContact O-N 2.84Å; A776-S779 PolarHBondContact O-N 3.41Å; S779-R781 VanDerWaalsContact C-N 3.33Å; S779-E782 PolarHBondContact O-N 3.41Å; S779-S783 PolarHBondContact O-N 2.85Å
780	T	73.8	Confident	74.9	Confident	27 Å²	27	56.9 Å²	56.9	17%	0.166	33%	0.326	C	S	.	.	H	α-helix	trans	-69.9	-31.5	177.7	55.5	0	0	0	0	112.4	Q374 A776 M777 E782 S783 L784	Q374-T780 HydrophobicContact CG-CG2 3.91Å; A776-T780 PolarHBondContact O-N 2.7Å; M777-T780 PolarHBondContact O-OG1 3.24Å; T780-E782 VanDerWaalsContact C-N 3.34Å; T780-S783 PolarHBondContact O-OG 2.9Å; T780-L784 WeakPolarHBondContact O-CG 3.34Å; T780-L784 PolarHBondContact O-N 3.1Å
781	R	81.1	Confident	74.2	Confident	68 Å²	68	61.5 Å²	61.5	26%	0.257	35%	0.351	S	S	.	.	H	α-helix	trans	-63.7	-40.9	172.2	-171.4	-164.2	67.2	177.6	-1.3	111.3	L403 D407 I410 M777 E778 S779 K785	L403-R781 HydrophobicContact CD2-CB 4.4Å; L403-R781 HydrophobicContact CD2-CG 3.53Å; L403-R781 VanDerWaalsContact CD2-O 3.32Å; L403-R781 WeakPolarHBondContact CD2-O 3.4Å; D407-R781 WeakPolarHBondContact OD1-CD 3.48Å; D407-R781 IonicContact OD1-CZ 3.03Å; D407-R781 IonicContact OD1-NE 3.32Å; D407-R781 IonicContact OD1-NH1 2.65Å; D407-R781 PolarHBondContact OD1-NH1 3.22Å; I410-R781 HydrophobicContact CD1-CB 4.31Å; M777-R781 PolarHBondContact O-N 2.97Å; E778-R781 WeakPolarHBondContact O-CB 3.38Å; E778-R781 PolarHBondContact O-N 3.23Å; S779-R781 VanDerWaalsContact C-N 3.33Å; R781-K785 WeakPolarHBondContact O-CB 3.49Å; R781-K785 PolarHBondContact O-N 3.34Å; R781-K785 VanDerWaalsContact O-N 3.13Å
782	E	78.2	Confident	73.6	Confident	125 Å²	125	60 Å²	60	58%	0.584	35%	0.345	S	S	*	.	H	α-helix	trans	-68	-40.7	179.3	-75.5	-176.8	173.2	0	0	112.8	E778 S779 T780 K785 A786	E778-E782 PolarHBondContact O-N 3.26Å; E778-E782 VanDerWaalsContact O-N 3.15Å; S779-E782 PolarHBondContact O-N 3.41Å; T780-E782 VanDerWaalsContact C-N 3.34Å; E782-K785 PolarHBondContact O-N 3.4Å; E782-A786 PolarHBondContact O-N 3.31Å
783	S	70.9	Confident	73	Confident	29 Å²	29	61.6 Å²	61.6	20%	0.203	34%	0.344	C	S	.	.	H	α-helix	trans	-64	-47.9	177.1	63.7	0	0	0	0	112.1	D378 S779 T780 K785 A786 E787	D378-S783 WeakPolarHBondContact OD2-CB 3.49Å; D378-S783 PolarHBondContact OD2-OG 3.27Å; S779-S783 PolarHBondContact O-N 2.85Å; T780-S783 PolarHBondContact O-OG 2.9Å; S783-K785 PolarHBondContact O-N 3Å; S783-A786 PolarHBondContact O-N 3.28Å; S783-A786 VanDerWaalsContact O-N 3.14Å; S783-E787 WeakPolarHBondContact O-CG 3.36Å; S783-E787 PolarHBondContact O-N 3.1Å; S783-E787 VanDerWaalsContact O-N 3.15Å
784	L	74	Confident	72.2	Confident	18 Å²	18	64.3 Å²	64.3	9%	0.094	36%	0.363	C	S	.	.	H	α-helix	trans	-59.8	-33.6	175.4	-74.5	172.7	0	0	0	112.9	W398 I399 E402 L403 L406 T780	W398-L784 HydrophobicContact CZ3-CD2 4.35Å; I399-L784 HydrophobicContact CG2-CB 4.25Å; I399-L784 VanDerWaalsContact CG2-O 3.22Å; I399-L784 WeakPolarHBondContact CG2-O 3.49Å; E402-L784 HydrophobicContact CG-CD1 4.32Å; L403-L784 HydrophobicContact CD2-CB 3.94Å; L403-L784 HydrophobicContact CG-CB 4.26Å; L406-L784 HydrophobicContact CD1-CD1 3.69Å; T780-L784 WeakPolarHBondContact O-CG 3.34Å; T780-L784 PolarHBondContact O-N 3.1Å
785	K	77.4	Confident	71.1	Confident	144 Å²	144	70.6 Å²	70.6	63%	0.626	39%	0.392	S	S	*	.	H	α-helix	trans	-72.3	-37.7	176.9	-169.7	179.3	-179.9	-176.5	0	112.2	L403 R781 E782 S783 E787 L788	L403-K785 HydrophobicContact CD2-CB 4.43Å; R781-K785 WeakPolarHBondContact O-CB 3.49Å; R781-K785 PolarHBondContact O-N 3.34Å; R781-K785 VanDerWaalsContact O-N 3.13Å; E782-K785 PolarHBondContact O-N 3.4Å; S783-K785 PolarHBondContact O-N 3Å; K785-E787 VanDerWaalsContact C-N 3.27Å; K785-E787 PolarHBondContact O-N 3.43Å; K785-L788 WeakPolarHBondContact O-CB 3.44Å; K785-L788 PolarHBondContact O-N 3.09Å
786	A	73.6	Confident	70.4	Confident	76 Å²	76	67 Å²	67	63%	0.628	38%	0.376	S	S	*	.	H	α-helix	trans	-67.9	-27.2	176.7	0	0	0	0	0	112.7	E782 S783 L788	E782-A786 PolarHBondContact O-N 3.31Å; S783-A786 PolarHBondContact O-N 3.28Å; S783-A786 VanDerWaalsContact O-N 3.14Å; A786-L788 VanDerWaalsContact C-N 3.35Å
787	E	70.1	Confident	70	Confident	20 Å²	20	66.1 Å²	66.1	9%	0.093	37%	0.367	C	S	.	.	H	α-helix	trans	-79.7	-16.1	179.8	-70	176.4	139.5	0	0	114.3	R385 R395 I399 S783 K785 G789 T790	R385-E787 IonicContact CZ-OE1 3.46Å; R385-E787 IonicContact CZ-OE2 2.64Å; R385-E787 IonicContact NH1-OE1 2.69Å; R385-E787 PolarHBondContact NH1-OE1 3.07Å; R385-E787 IonicContact NH1-OE2 3.93Å; R385-E787 PolarHBondContact NH1-OE2 3.01Å; R385-E787 IonicContact NH2-OE1 3.64Å; R385-E787 PolarHBondContact NH2-OE1 3.18Å; R385-E787 IonicContact NH2-OE2 2.74Å; R385-E787 PolarHBondContact NH2-OE2 2.97Å; R395-E787 PolarHBondContact NH2-O 2.89Å; I399-E787 HydrophobicContact CD1-CB 4.35Å; S783-E787 WeakPolarHBondContact O-CG 3.36Å; S783-E787 PolarHBondContact O-N 3.1Å; S783-E787 VanDerWaalsContact O-N 3.15Å; K785-E787 VanDerWaalsContact C-N 3.27Å; K785-E787 PolarHBondContact O-N 3.43Å; E787-G789 PolarHBondContact O-N 3.27Å; E787-T790 PolarHBondContact O-N 2.92Å; E787-T790 PolarHBondContact O-OG1 2.91Å
788	L	70.3	Confident	69.5	Low	70 Å²	70	70.7 Å²	70.7	37%	0.366	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	123.8	179.5	-155.3	91.1	0	0	0	110.7	I399 K400 K785 A786	I399-L788 HydrophobicContact CB-CD1 4.12Å; I399-L788 HydrophobicContact CG2-CD1 3.66Å; K400-L788 HydrophobicContact CG-CD1 4.08Å; K785-L788 WeakPolarHBondContact O-CB 3.44Å; K785-L788 PolarHBondContact O-N 3.09Å; A786-L788 VanDerWaalsContact C-N 3.35Å
789	G	63.7	Low	69.1	Low	39 Å²	39	76 Å²	76	40%	0.402	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.9	1.4	176.8	0	0	0	0	0	116.6	K392 D396 E787	K392-G789 VanDerWaalsContact CE-C 3.43Å; K392-G789 WeakPolarHBondContact CE-O 2.86Å; K392-G789 PolarHBondContact NZ-O 3.05Å; D396-G789 PolarHBondContact OD2-N 3.07Å; E787-G789 PolarHBondContact O-N 3.27Å
790	T	71.4	Confident	68.9	Low	51 Å²	51	76 Å²	76	31%	0.313	41%	0.414	S	S	.	.			trans	-75.9	159.8	172.1	59.6	0	0	0	0	112.4	K392 R395 E787	K392-T790 WeakPolarHBondContact CE-O 3.48Å; R395-T790 PolarHBondContact NH1-O 3.23Å; R395-T790 PolarHBondContact NH1-OG1 3.28Å; R395-T790 PolarHBondContact NH2-O 2.92Å; R395-T790 PolarHBondContact NH2-OG1 3.47Å; E787-T790 PolarHBondContact O-N 2.92Å; E787-T790 PolarHBondContact O-OG1 2.91Å
791	D	62.3	Low	68.8	Low	116 Å²	116	79.4 Å²	79.4	62%	0.62	43%	0.427	S	S	*	.			trans	-78.5	150	-179.9	-67.6	-23	0	0	0	113.2	K392 L793	K392-D791 IonicContact NZ-OD1 2.84Å; K392-D791 PolarHBondContact NZ-OD1 3.27Å; D791-L793 PolarHBondContact O-N 3.07Å
792	L	65.1	Low	68.5	Low	58 Å²	58	84.6 Å²	84.6	30%	0.304	45%	0.447	S	S	.	.			trans	-83.7	96.2	-176.8	-162.5	83.9	0	0	0	109.7	F389	F389-L792 WeakPolarHBondContact O-CD2 3.44Å
793	L	61.4	Low	68.5	Low	102 Å²	102	82.5 Å²	82.5	53%	0.534	43%	0.434	S	S	.	.			trans	-93.8	136.1	176.6	-69.6	161	0	0	0	110.3	D791 Q795	D791-L793 PolarHBondContact O-N 3.07Å; L793-Q795 WeakPolarHBondContact CB-O 3.43Å
794	S	58.3	Low	68.9	Low	99 Å²	99	81.4 Å²	81.4	69%	0.692	43%	0.426	S	S	*	.	S	Bend	trans	-82.9	-13.3	176.8	58.7	0	0	0	0	113.5
795	Q	60.3	Low	69.1	Low	152 Å²	152	84.9 Å²	84.9	71%	0.71	44%	0.444	S	S	*	.	S	Bend	trans	-132.6	150.2	175.5	-65.9	-178.9	-7.8	0	0	108.9	L793	L793-Q795 WeakPolarHBondContact CB-O 3.43Å
796	L	62	Low	69.2	Low	22 Å²	22	82.6 Å²	82.6	12%	0.115	44%	0.439	C	S	.	.			trans	-60.3	146	172.2	-106.1	70.2	0	0	0	109.8	Q383 D800 V804	Q383-L796 HydrophobicContact CB-CD1 3.39Å; Q383-L796 HydrophobicContact CG-CD1 3.66Å; L796-D800 HydrophobicContact CB-CB 4.07Å; L796-D800 HydrophobicContact CD2-CB 3.69Å; L796-D800 HydrophobicContact CG-CB 3.66Å; L796-V804 HydrophobicContact CD2-CG2 3.75Å
797	S	65.8	Low	69.6	Low	39 Å²	39	79 Å²	79	27%	0.273	41%	0.409	S	S	.	.			trans	-63.5	156.4	169.9	72.6	0	0	0	0	110	E799 D800 Q801	S797-E799 PolarHBondContact O-N 3.22Å; S797-E799 VanDerWaalsContact O-N 3.13Å; S797-D800 PolarHBondContact O-N 3.13Å; S797-D800 VanDerWaalsContact O-N 3.1Å; S797-D800 WeakPolarHBondContact OG-CB 3.47Å; S797-D800 PolarHBondContact OG-N 3.01Å; S797-D800 PolarHBondContact OG-OD2 2.99Å; S797-Q801 PolarHBondContact O-N 3.37Å
798	L	67.4	Low	70	Confident	148 Å²	148	79.8 Å²	79.8	78%	0.775	41%	0.414	S	S	*	.	H	α-helix	trans	-56.2	-27.6	174.3	-90.2	152.9	0	0	0	112.6	R802	L798-R802 WeakPolarHBondContact O-CG 3.25Å; L798-R802 PolarHBondContact O-N 3.16Å
799	E	69.3	Low	70.5	Confident	161 Å²	161	81.3 Å²	81.3	75%	0.752	42%	0.423	S	S	*	.	H	α-helix	trans	-76.5	-45.1	174.9	-67.2	177.1	172.8	0	0	111.9	S797 Q801 R802 R803	S797-E799 PolarHBondContact O-N 3.22Å; S797-E799 VanDerWaalsContact O-N 3.13Å; E799-Q801 VanDerWaalsContact C-N 3.32Å; E799-Q801 PolarHBondContact O-N 3.47Å; E799-R802 PolarHBondContact O-N 2.83Å; E799-R803 WeakPolarHBondContact O-CB 3.44Å; E799-R803 PolarHBondContact O-N 3.07Å
800	D	70.1	Confident	71.2	Confident	33 Å²	33	81.8 Å²	81.8	18%	0.176	41%	0.414	C	S	.	.	H	α-helix	trans	-64.4	-37.3	177.2	-71	-29	0	0	0	111.1	L379 K382 L796 S797 R803 V804	L379-D800 HydrophobicContact CD2-CB 4.28Å; K382-D800 IonicContact NZ-OD1 3.83Å; K382-D800 IonicContact NZ-OD2 3.73Å; K382-D800 PolarHBondContact NZ-OD2 3.02Å; L796-D800 HydrophobicContact CB-CB 4.07Å; L796-D800 HydrophobicContact CD2-CB 3.69Å; L796-D800 HydrophobicContact CG-CB 3.66Å; S797-D800 PolarHBondContact O-N 3.13Å; S797-D800 VanDerWaalsContact O-N 3.1Å; S797-D800 WeakPolarHBondContact OG-CB 3.47Å; S797-D800 PolarHBondContact OG-N 3.01Å; S797-D800 PolarHBondContact OG-OD2 2.99Å; D800-R803 PolarHBondContact O-N 3.05Å; D800-V804 WeakPolarHBondContact O-CG2 3.46Å; D800-V804 PolarHBondContact O-N 3.35Å
801	Q	71.9	Confident	71.6	Confident	98 Å²	98	79.5 Å²	79.5	46%	0.458	40%	0.4	S	S	.	.	H	α-helix	trans	-65.2	-44.8	178.3	-162.3	93.7	6.8	0	0	111.4	S797 E799 R803 V804 D805	S797-Q801 PolarHBondContact O-N 3.37Å; E799-Q801 VanDerWaalsContact C-N 3.32Å; E799-Q801 PolarHBondContact O-N 3.47Å; Q801-R803 VanDerWaalsContact C-N 3.31Å; Q801-R803 PolarHBondContact O-N 3.23Å; Q801-V804 PolarHBondContact O-N 3.29Å; Q801-D805 PolarHBondContact O-N 3.31Å; Q801-D805 VanDerWaalsContact O-N 3.12Å
802	R	76	Confident	72.4	Confident	177 Å²	177	82.9 Å²	82.9	67%	0.668	40%	0.404	S	S	*	.	H	α-helix	trans	-61.8	-40.5	173.3	-75	177.7	179.2	-175.2	0.5	111.5	L798 E799 V804 D805 D806	L798-R802 WeakPolarHBondContact O-CG 3.25Å; L798-R802 PolarHBondContact O-N 3.16Å; E799-R802 PolarHBondContact O-N 2.83Å; R802-V804 VanDerWaalsContact C-N 3.33Å; R802-V804 PolarHBondContact O-N 3.14Å; R802-D805 PolarHBondContact O-N 3.1Å; R802-D806 VanDerWaalsContact O-CG 3.27Å; R802-D806 PolarHBondContact O-N 3.49Å
803	R	78.1	Confident	73.2	Confident	81 Å²	81	86.4 Å²	86.4	31%	0.306	42%	0.419	S	S	.	.	H	α-helix	trans	-63	-38.2	176.7	-172.5	62.8	-178.8	145.7	11.8	112	E375 L379 E799 D800 Q801 L807	E375-R803 IonicContact OE2-CZ 2.7Å; E375-R803 IonicContact OE2-NE 3.98Å; E375-R803 IonicContact OE2-NH2 3.71Å; E375-R803 PolarHBondContact OE2-NH2 3.3Å; L379-R803 HydrophobicContact CD1-CG 4.15Å; E799-R803 WeakPolarHBondContact O-CB 3.44Å; E799-R803 PolarHBondContact O-N 3.07Å; D800-R803 PolarHBondContact O-N 3.05Å; Q801-R803 VanDerWaalsContact C-N 3.31Å; Q801-R803 PolarHBondContact O-N 3.23Å; R803-L807 HydrophobicContact CG-CD1 4.01Å; R803-L807 HydrophobicContact CG-CG 4.42Å; R803-L807 VanDerWaalsContact O-CB 3.22Å; R803-L807 WeakPolarHBondContact O-CB 3.45Å; R803-L807 WeakPolarHBondContact O-CD1 3.45Å; R803-L807 WeakPolarHBondContact O-CG 3.49Å; R803-L807 PolarHBondContact O-N 2.91Å
804	V	77.5	Confident	74	Confident	6 Å²	6	82.9 Å²	82.9	4%	0.036	40%	0.401	C	S	.	.	H	α-helix	trans	-65.5	-40.6	174.6	169.6	0	0	0	0	111.9	R376 L379 Y380 L796 D800 Q801 R802 L807 N808	R376-V804 HydrophobicContact CG-CG1 4.42Å; L379-V804 HydrophobicContact CB-CG2 3.85Å; L379-V804 HydrophobicContact CD1-CG2 3.78Å; L379-V804 HydrophobicContact CG-CG2 4.43Å; Y380-V804 HydrophobicContact CE1-CG1 4.45Å; Y380-V804 HydrophobicContact CE2-CG1 4.28Å; L796-V804 HydrophobicContact CD2-CG2 3.75Å; D800-V804 WeakPolarHBondContact O-CG2 3.46Å; D800-V804 PolarHBondContact O-N 3.35Å; Q801-V804 PolarHBondContact O-N 3.29Å; R802-V804 VanDerWaalsContact C-N 3.33Å; R802-V804 PolarHBondContact O-N 3.14Å; V804-L807 PolarHBondContact O-N 3.48Å; V804-N808 WeakPolarHBondContact O-CB 3.41Å; V804-N808 PolarHBondContact O-N 3.08Å; V804-N808 PolarHBondContact O-ND2 3.25Å; V804-N808 VanDerWaalsContact O-ND2 3.14Å
805	D	79.3	Confident	74.8	Confident	90 Å²	90	81.6 Å²	81.6	48%	0.481	38%	0.384	S	S	.	.	H	α-helix	trans	-66	-46.4	176.9	-69.7	-24	0	0	0	111.2	Q801 R802 L807 N808 D809	Q801-D805 PolarHBondContact O-N 3.31Å; Q801-D805 VanDerWaalsContact O-N 3.12Å; R802-D805 PolarHBondContact O-N 3.1Å; D805-L807 VanDerWaalsContact C-N 3.32Å; D805-L807 PolarHBondContact O-N 3.3Å; D805-N808 PolarHBondContact O-N 3.01Å; D805-N808 VanDerWaalsContact O-N 3.12Å; D805-D809 PolarHBondContact O-N 2.72Å; D805-D809 VanDerWaalsContact O-N 3.14Å
806	D	79.9	Confident	75.8	Confident	97 Å²	97	80.2 Å²	80.2	52%	0.519	38%	0.377	S	S	.	.	H	α-helix	trans	-58.5	-43.7	173.7	-67.8	-22.2	0	0	0	111.5	R802 N808 D809 E810	R802-D806 VanDerWaalsContact O-CG 3.27Å; R802-D806 PolarHBondContact O-N 3.49Å; D806-N808 VanDerWaalsContact C-N 3.34Å; D806-N808 PolarHBondContact O-N 2.71Å; D806-D809 PolarHBondContact O-N 3.15Å; D806-E810 WeakPolarHBondContact O-CB 3.42Å; D806-E810 PolarHBondContact O-N 2.88Å
807	L	80.5	Confident	76.5	Confident	0 Å²	0	83.2 Å²	83.2	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-65.2	-34.9	176.8	-75.8	169.4	0	0	0	112	A372 E375 R376 L379 R803 V804 D805 I811	A372-L807 HydrophobicContact CB-CD2 3.64Å; E375-L807 HydrophobicContact CB-CD1 3.95Å; E375-L807 HydrophobicContact CB-CD2 4.48Å; R376-L807 HydrophobicContact CB-CD1 4.36Å; L379-L807 HydrophobicContact CD1-CD1 3.83Å; R803-L807 HydrophobicContact CG-CD1 4.01Å; R803-L807 HydrophobicContact CG-CG 4.42Å; R803-L807 VanDerWaalsContact O-CB 3.22Å; R803-L807 WeakPolarHBondContact O-CB 3.45Å; R803-L807 WeakPolarHBondContact O-CD1 3.45Å; R803-L807 WeakPolarHBondContact O-CG 3.49Å; R803-L807 PolarHBondContact O-N 2.91Å; V804-L807 PolarHBondContact O-N 3.48Å; D805-L807 VanDerWaalsContact C-N 3.32Å; D805-L807 PolarHBondContact O-N 3.3Å; L807-I811 VanDerWaalsContact O-CB 3.23Å; L807-I811 WeakPolarHBondContact O-CB 3.09Å; L807-I811 VanDerWaalsContact O-CD1 3.24Å; L807-I811 WeakPolarHBondContact O-CD1 3.23Å; L807-I811 WeakPolarHBondContact O-CG1 3.26Å; L807-I811 PolarHBondContact O-N 3.47Å
808	N	79.4	Confident	77	Confident	37 Å²	37	81.9 Å²	81.9	20%	0.198	38%	0.384	C	S	.	.	H	α-helix	trans	-68	-38.7	178	-82.6	-40.6	0	0	0	112.2	R376 V804 D805 D806 R812	R376-N808 WeakPolarHBondContact CD-OD1 3.43Å; R376-N808 PolarHBondContact NH1-OD1 3.44Å; V804-N808 WeakPolarHBondContact O-CB 3.41Å; V804-N808 PolarHBondContact O-N 3.08Å; V804-N808 PolarHBondContact O-ND2 3.25Å; V804-N808 VanDerWaalsContact O-ND2 3.14Å; D805-N808 PolarHBondContact O-N 3.01Å; D805-N808 VanDerWaalsContact O-N 3.12Å; D806-N808 VanDerWaalsContact C-N 3.34Å; D806-N808 PolarHBondContact O-N 2.71Å; N808-R812 PolarHBondContact O-N 3.3Å
809	D	79.9	Confident	77.5	Confident	102 Å²	102	82.8 Å²	82.8	55%	0.545	38%	0.376	S	S	.	.	H	α-helix	trans	-71	-42.3	175.2	-75.1	-18.5	0	0	0	111.4	D805 D806 R812 Q813	D805-D809 PolarHBondContact O-N 2.72Å; D805-D809 VanDerWaalsContact O-N 3.14Å; D806-D809 PolarHBondContact O-N 3.15Å; D809-R812 PolarHBondContact O-N 3.31Å; D809-Q813 PolarHBondContact O-N 2.92Å; D809-Q813 VanDerWaalsContact O-N 3.09Å
810	E	79.5	Confident	78	Confident	48 Å²	48	80.3 Å²	80.3	22%	0.224	37%	0.365	C	S	.	.	H	α-helix	trans	-59.4	-46.4	173.3	-170.9	177.5	176.4	0	0	110.7	R368 D806 R812 Q813 L814	R368-E810 WeakPolarHBondContact CG-OE1 3.46Å; R368-E810 IonicContact CZ-OE1 2.8Å; R368-E810 IonicContact NE-OE1 3.46Å; R368-E810 PolarHBondContact NE-OE1 2.98Å; R368-E810 IonicContact NH2-OE1 3.53Å; D806-E810 WeakPolarHBondContact O-CB 3.42Å; D806-E810 PolarHBondContact O-N 2.88Å; E810-R812 PolarHBondContact O-N 3.05Å; E810-Q813 PolarHBondContact O-N 3.02Å; E810-L814 HydrophobicContact CG-CD1 3.73Å; E810-L814 HydrophobicContact CG-CG 4.36Å; E810-L814 WeakPolarHBondContact O-CB 3.24Å; E810-L814 WeakPolarHBondContact O-CG 3.38Å; E810-L814 PolarHBondContact O-N 3.28Å
811	I	78.8	Confident	78.4	Confident	3 Å²	3	80.4 Å²	80.4	2%	0.015	37%	0.365	C	S	.	.	H	α-helix	trans	-61.3	-43	176.8	-71.8	162.2	0	0	0	111.3	L369 A372 R376 L807 Q815	L369-I811 HydrophobicContact CD1-CG2 4.2Å; A372-I811 HydrophobicContact CB-CD1 4.48Å; A372-I811 HydrophobicContact CB-CG1 3.94Å; R376-I811 HydrophobicContact CB-CD1 4.11Å; L807-I811 VanDerWaalsContact O-CB 3.23Å; L807-I811 WeakPolarHBondContact O-CB 3.09Å; L807-I811 VanDerWaalsContact O-CD1 3.24Å; L807-I811 WeakPolarHBondContact O-CD1 3.23Å; L807-I811 WeakPolarHBondContact O-CG1 3.26Å; L807-I811 PolarHBondContact O-N 3.47Å; I811-Q815 HydrophobicContact CG2-CG 4.14Å; I811-Q815 VanDerWaalsContact O-CB 3.22Å; I811-Q815 WeakPolarHBondContact O-CB 3.4Å; I811-Q815 WeakPolarHBondContact O-CG 3.48Å; I811-Q815 PolarHBondContact O-N 3.15Å
812	R	80.8	Confident	78.5	Confident	187 Å²	187	79 Å²	79	71%	0.706	36%	0.361	S	S	*	.	H	α-helix	trans	-62.9	-45.9	179.3	-86.3	-173.2	-172.1	-162.2	5.4	112.2	N808 D809 E810 Q815 Q816	N808-R812 PolarHBondContact O-N 3.3Å; D809-R812 PolarHBondContact O-N 3.31Å; E810-R812 PolarHBondContact O-N 3.05Å; R812-Q815 PolarHBondContact O-N 2.82Å; R812-Q816 PolarHBondContact O-N 3.32Å
813	Q	80.3	Confident	78.7	Confident	132 Å²	132	75 Å²	75	62%	0.617	35%	0.352	S	S	*	.	H	α-helix	trans	-64	-50.4	178.8	-72.1	-178.4	-3.4	0	0	110.8	D809 E810 Q815 Q816 D817	D809-Q813 PolarHBondContact O-N 2.92Å; D809-Q813 VanDerWaalsContact O-N 3.09Å; E810-Q813 PolarHBondContact O-N 3.02Å; Q813-Q815 VanDerWaalsContact C-N 3.29Å; Q813-Q815 PolarHBondContact O-N 3.46Å; Q813-Q816 PolarHBondContact O-N 3.39Å; Q813-Q816 VanDerWaalsContact O-N 3.12Å; Q813-D817 PolarHBondContact O-N 3.38Å
814	L	78.4	Confident	78.8	Confident	29 Å²	29	76.2 Å²	76.2	15%	0.152	36%	0.361	C	S	.	.	H	α-helix	trans	-62	-35	178.4	-64.5	171.7	0	0	0	112.1	R368 L369 E810 N818	R368-L814 HydrophobicContact CB-CD1 4.48Å; R368-L814 HydrophobicContact CG-CD1 4.18Å; L369-L814 HydrophobicContact CB-CB 4.28Å; L369-L814 HydrophobicContact CB-CD1 4.35Å; L369-L814 HydrophobicContact CD1-CB 3.55Å; L369-L814 HydrophobicContact CD1-CD1 4.45Å; E810-L814 HydrophobicContact CG-CD1 3.73Å; E810-L814 HydrophobicContact CG-CG 4.36Å; E810-L814 WeakPolarHBondContact O-CB 3.24Å; E810-L814 WeakPolarHBondContact O-CG 3.38Å; E810-L814 PolarHBondContact O-N 3.28Å; L814-N818 WeakPolarHBondContact O-CB 3.48Å; L814-N818 PolarHBondContact O-N 2.97Å; L814-N818 PolarHBondContact O-ND2 3.17Å
815	Q	76.3	Confident	78.9	Confident	72 Å²	72	79.4 Å²	79.4	34%	0.336	37%	0.373	S	S	.	.	H	α-helix	trans	-67.3	-39.2	174.7	-80.5	-179.3	-9	0	0	112.7	L369 I811 R812 Q813 R819	L369-Q815 HydrophobicContact CD1-CG 3.69Å; L369-Q815 HydrophobicContact CD2-CG 4.33Å; I811-Q815 HydrophobicContact CG2-CG 4.14Å; I811-Q815 VanDerWaalsContact O-CB 3.22Å; I811-Q815 WeakPolarHBondContact O-CB 3.4Å; I811-Q815 WeakPolarHBondContact O-CG 3.48Å; I811-Q815 PolarHBondContact O-N 3.15Å; R812-Q815 PolarHBondContact O-N 2.82Å; Q813-Q815 VanDerWaalsContact C-N 3.29Å; Q813-Q815 PolarHBondContact O-N 3.46Å; Q815-R819 WeakPolarHBondContact O-CB 3.48Å; Q815-R819 VanDerWaalsContact O-CG 3.26Å; Q815-R819 WeakPolarHBondContact O-CG 3.42Å; Q815-R819 PolarHBondContact O-N 3.28Å
816	Q	80.3	Confident	78.8	Confident	122 Å²	122	79.6 Å²	79.6	57%	0.57	37%	0.373	S	S	*	.	H	α-helix	trans	-68.5	-46.4	-180	-175	170.1	-11.1	0	0	110.9	R812 Q813 R819 Q820	R812-Q816 PolarHBondContact O-N 3.32Å; Q813-Q816 PolarHBondContact O-N 3.39Å; Q813-Q816 VanDerWaalsContact O-N 3.12Å; Q816-R819 PolarHBondContact O-N 2.99Å; Q816-Q820 WeakPolarHBondContact O-CG 3.46Å; Q816-Q820 PolarHBondContact O-N 2.84Å; Q816-Q820 VanDerWaalsContact O-N 3.11Å
817	D	77.3	Confident	78.8	Confident	86 Å²	86	82 Å²	82	46%	0.46	38%	0.379	S	S	.	.	H	α-helix	trans	-65.7	-42.5	178.7	-68	-11.5	0	0	0	111.4	Q813 R819 Q820 L821	Q813-D817 PolarHBondContact O-N 3.38Å; D817-R819 PolarHBondContact O-N 3.46Å; D817-Q820 PolarHBondContact O-N 3.37Å; D817-L821 WeakPolarHBondContact O-CG 3.43Å; D817-L821 PolarHBondContact O-N 2.92Å
818	N	75.2	Confident	78.9	Confident	11 Å²	11	83.6 Å²	83.6	6%	0.059	39%	0.387	C	S	.	.	H	α-helix	trans	-63.6	-39.1	175.5	-79.6	-34.3	0	0	0	112.3	S365 H366 L814 Q820 L822	S365-N818 PolarHBondContact OG-OD1 2.84Å; H366-N818 VanDerWaalsContact CE1-CG 3.41Å; H366-N818 PolarHBondContact CE1-OD1 2.85Å; H366-N818 VanDerWaalsContact ND1-CG 3.28Å; H366-N818 PolarHBondContact ND1-ND2 3.45Å; H366-N818 PolarHBondContact ND1-OD1 3.4Å; L814-N818 WeakPolarHBondContact O-CB 3.48Å; L814-N818 PolarHBondContact O-N 2.97Å; L814-N818 PolarHBondContact O-ND2 3.17Å; N818-Q820 VanDerWaalsContact C-N 3.34Å; N818-Q820 PolarHBondContact O-N 3.31Å; N818-L822 WeakPolarHBondContact O-CB 3.24Å; N818-L822 PolarHBondContact O-N 2.95Å
819	R	78.1	Confident	78.8	Confident	166 Å²	166	84.7 Å²	84.7	63%	0.626	39%	0.391	S	S	*	.	H	α-helix	trans	-65.1	-37.4	176.3	-80	178.6	-167.8	-172.6	6.2	112.4	Q815 Q816 D817 N823	Q815-R819 WeakPolarHBondContact O-CB 3.48Å; Q815-R819 VanDerWaalsContact O-CG 3.26Å; Q815-R819 WeakPolarHBondContact O-CG 3.42Å; Q815-R819 PolarHBondContact O-N 3.28Å; Q816-R819 PolarHBondContact O-N 2.99Å; D817-R819 PolarHBondContact O-N 3.46Å; R819-N823 WeakPolarHBondContact O-CB 3.22Å; R819-N823 VanDerWaalsContact O-CG 3.3Å; R819-N823 PolarHBondContact O-N 2.96Å; R819-N823 VanDerWaalsContact O-N 3.1Å; R819-N823 PolarHBondContact O-ND2 2.87Å
820	Q	80.2	Confident	78.8	Confident	110 Å²	110	80.7 Å²	80.7	51%	0.514	37%	0.374	S	S	.	.	H	α-helix	trans	-67.4	-49.3	177.7	-71.5	-179.3	2	0	0	110.8	Q816 D817 N818 L822 N823 E824	Q816-Q820 WeakPolarHBondContact O-CG 3.46Å; Q816-Q820 PolarHBondContact O-N 2.84Å; Q816-Q820 VanDerWaalsContact O-N 3.11Å; D817-Q820 PolarHBondContact O-N 3.37Å; N818-Q820 VanDerWaalsContact C-N 3.34Å; N818-Q820 PolarHBondContact O-N 3.31Å; Q820-L822 PolarHBondContact O-N 3.31Å; Q820-N823 PolarHBondContact O-N 2.97Å; Q820-E824 PolarHBondContact O-N 3.35Å
821	L	78	Confident	78.9	Confident	34 Å²	34	81.6 Å²	81.6	18%	0.178	38%	0.38	C	S	.	.	H	α-helix	trans	-61.6	-41.7	177	-70.2	170.8	0	0	0	112.4	K358 D817 N823 E824 R825	K358-L821 HydrophobicContact CB-CD2 4.14Å; D817-L821 WeakPolarHBondContact O-CG 3.43Å; D817-L821 PolarHBondContact O-N 2.92Å; L821-N823 PolarHBondContact O-N 3.35Å; L821-E824 PolarHBondContact O-N 2.96Å; L821-R825 VanDerWaalsContact O-CB 3.32Å; L821-R825 WeakPolarHBondContact O-CB 3.39Å; L821-R825 PolarHBondContact O-N 2.97Å
822	L	75.3	Confident	78.9	Confident	69 Å²	69	82.4 Å²	82.4	36%	0.361	38%	0.384	S	S	.	.	H	α-helix	trans	-62.6	-43.3	177.4	-169.1	92.4	0	0	0	111.8	N818 Q820 R825 I826	N818-L822 WeakPolarHBondContact O-CB 3.24Å; N818-L822 PolarHBondContact O-N 2.95Å; Q820-L822 PolarHBondContact O-N 3.31Å; L822-R825 PolarHBondContact O-N 2.67Å; L822-I826 HydrophobicContact CD2-CD1 3.94Å; L822-I826 HydrophobicContact CG-CD1 3.85Å; L822-I826 HydrophobicContact CG-CG1 4.47Å; L822-I826 WeakPolarHBondContact O-CB 3.41Å; L822-I826 VanDerWaalsContact O-CG1 3.22Å; L822-I826 WeakPolarHBondContact O-CG1 3.1Å; L822-I826 PolarHBondContact O-N 3.02Å
823	N	79.4	Confident	78.8	Confident	93 Å²	93	76.1 Å²	76.1	50%	0.497	37%	0.367	S	S	.	.	H	α-helix	trans	-67.8	-38.1	179	-78.9	-29.7	0	0	0	112.4	R819 Q820 L821 K827	R819-N823 WeakPolarHBondContact O-CB 3.22Å; R819-N823 VanDerWaalsContact O-CG 3.3Å; R819-N823 PolarHBondContact O-N 2.96Å; R819-N823 VanDerWaalsContact O-N 3.1Å; R819-N823 PolarHBondContact O-ND2 2.87Å; Q820-N823 PolarHBondContact O-N 2.97Å; L821-N823 PolarHBondContact O-N 3.35Å; N823-K827 VanDerWaalsContact O-CG 3.28Å; N823-K827 WeakPolarHBondContact O-CG 3.1Å; N823-K827 PolarHBondContact O-N 3.34Å
824	E	79.8	Confident	78.8	Confident	106 Å²	106	78.6 Å²	78.6	50%	0.495	37%	0.37	S	S	.	.	H	α-helix	trans	-66.6	-42.1	173.8	-73.4	-174.4	173	0	0	111.5	V355 Q820 L821 K827 L828	V355-E824 HydrophobicContact CG1-CB 4.2Å; Q820-E824 PolarHBondContact O-N 3.35Å; L821-E824 PolarHBondContact O-N 2.96Å; E824-K827 PolarHBondContact O-N 3.4Å; E824-L828 WeakPolarHBondContact O-CG 3.48Å; E824-L828 PolarHBondContact O-N 3.36Å
825	R	79.6	Confident	79	Confident	73 Å²	73	77.7 Å²	77.7	28%	0.275	37%	0.366	S	S	.	.	H	α-helix	trans	-59.8	-53.6	174.1	178.5	-178.6	150.3	-166.6	2.5	111.8	F352 V355 E359 L821 L822 K827 L828 E829	F352-R825 HydrophobicContact CE2-CG 3.88Å; V355-R825 HydrophobicContact CG1-CB 4.14Å; E359-R825 VanDerWaalsContact CD-NH1 3.32Å; E359-R825 IonicContact OE1-CZ 3.75Å; E359-R825 IonicContact OE1-NH1 2.95Å; E359-R825 PolarHBondContact OE1-NH1 3.35Å; E359-R825 WeakPolarHBondContact OE2-CD 3.38Å; E359-R825 IonicContact OE2-CZ 2.85Å; E359-R825 IonicContact OE2-NE 2.74Å; E359-R825 IonicContact OE2-NH1 2.7Å; E359-R825 PolarHBondContact OE2-NH1 3.04Å; L821-R825 VanDerWaalsContact O-CB 3.32Å; L821-R825 WeakPolarHBondContact O-CB 3.39Å; L821-R825 PolarHBondContact O-N 2.97Å; L822-R825 PolarHBondContact O-N 2.67Å; R825-K827 PolarHBondContact O-N 3.21Å; R825-L828 PolarHBondContact O-N 2.96Å; R825-L828 VanDerWaalsContact O-N 3.11Å; R825-E829 IonicContact CZ-OE2 2.7Å; R825-E829 IonicContact NE-OE2 2.72Å; R825-E829 PolarHBondContact NE-OE2 3.38Å; R825-E829 IonicContact NH2-OE1 2.95Å; R825-E829 IonicContact NH2-OE2 3.82Å; R825-E829 PolarHBondContact NH2-OE2 3.29Å; R825-E829 WeakPolarHBondContact O-CB 3.41Å; R825-E829 PolarHBondContact O-N 3.05Å
826	I	76.8	Confident	79	Confident	95 Å²	95	77.8 Å²	77.8	49%	0.487	37%	0.366	S	S	.	.	H	α-helix	trans	-58.3	-38	-177.4	-70.6	165.5	0	0	0	110.9	L822 G830	L822-I826 HydrophobicContact CD2-CD1 3.94Å; L822-I826 HydrophobicContact CG-CD1 3.85Å; L822-I826 HydrophobicContact CG-CG1 4.47Å; L822-I826 WeakPolarHBondContact O-CB 3.41Å; L822-I826 VanDerWaalsContact O-CG1 3.22Å; L822-I826 WeakPolarHBondContact O-CG1 3.1Å; L822-I826 PolarHBondContact O-N 3.02Å; I826-G830 PolarHBondContact O-N 3.41Å
827	K	80.7	Confident	78.9	Confident	148 Å²	148	75.1 Å²	75.1	64%	0.643	36%	0.359	S	S	*	.	H	α-helix	trans	-64.8	-49.6	175.8	-74	174.5	-175.6	178.4	0	111.7	N823 E824 R825 G830 I831	N823-K827 VanDerWaalsContact O-CG 3.28Å; N823-K827 WeakPolarHBondContact O-CG 3.1Å; N823-K827 PolarHBondContact O-N 3.34Å; E824-K827 PolarHBondContact O-N 3.4Å; R825-K827 PolarHBondContact O-N 3.21Å; K827-G830 PolarHBondContact O-N 2.84Å; K827-I831 VanDerWaalsContact O-CG1 3.3Å; K827-I831 WeakPolarHBondContact O-CG1 3.37Å; K827-I831 PolarHBondContact O-N 3.29Å; K827-I831 VanDerWaalsContact O-N 3.11Å
828	L	82.3	Confident	79	Confident	32 Å²	32	76 Å²	76	17%	0.168	36%	0.356	C	S	.	.	H	α-helix	trans	-67.7	-40.1	-180	-70.4	171.8	0	0	0	112.1	T348 K351 F352 V355 E824 R825 I831 M832	T348-L828 HydrophobicContact CG2-CD2 3.84Å; K351-L828 HydrophobicContact CB-CD1 4.35Å; F352-L828 HydrophobicContact CB-CB 4.27Å; F352-L828 HydrophobicContact CD2-CB 4.04Å; V355-L828 HydrophobicContact CB-CD1 4.34Å; V355-L828 HydrophobicContact CG2-CD1 3.9Å; E824-L828 WeakPolarHBondContact O-CG 3.48Å; E824-L828 PolarHBondContact O-N 3.36Å; R825-L828 PolarHBondContact O-N 2.96Å; R825-L828 VanDerWaalsContact O-N 3.11Å; L828-I831 PolarHBondContact O-N 3.19Å; L828-M832 PolarHBondContact O-N 2.95Å
829	E	78.1	Confident	79.2	Confident	60 Å²	60	75.7 Å²	75.7	28%	0.28	36%	0.355	S	S	.	.	H	α-helix	trans	-63.3	-42.1	175	-168.8	169.6	173.5	0	0	111.1	F352 R825 I831 M832 T833	F352-E829 HydrophobicContact CD2-CB 4.44Å; F352-E829 HydrophobicContact CE2-CB 3.85Å; F352-E829 HydrophobicContact CE2-CG 4.26Å; R825-E829 IonicContact CZ-OE2 2.7Å; R825-E829 IonicContact NE-OE2 2.72Å; R825-E829 PolarHBondContact NE-OE2 3.38Å; R825-E829 IonicContact NH2-OE1 2.95Å; R825-E829 IonicContact NH2-OE2 3.82Å; R825-E829 PolarHBondContact NH2-OE2 3.29Å; R825-E829 WeakPolarHBondContact O-CB 3.41Å; R825-E829 PolarHBondContact O-N 3.05Å; E829-I831 VanDerWaalsContact C-N 3.29Å; E829-I831 PolarHBondContact O-N 2.98Å; E829-M832 PolarHBondContact O-N 3.19Å; E829-T833 WeakPolarHBondContact O-CB 3.35Å; E829-T833 PolarHBondContact O-N 3.08Å; E829-T833 PolarHBondContact O-OG1 3.45Å
830	G	79.2	Confident	79	Confident	19 Å²	19	71.5 Å²	71.5	20%	0.196	35%	0.345	C	S	.	.	H	α-helix	trans	-67.9	-24.8	175.8	0	0	0	0	0	114.1	I826 K827 T833 R834	I826-G830 PolarHBondContact O-N 3.41Å; K827-G830 PolarHBondContact O-N 2.84Å; G830-T833 WeakPolarHBondContact CA-OG1 3.44Å; G830-R834 WeakPolarHBondContact O-CB 3.35Å; G830-R834 WeakPolarHBondContact O-CG 3.46Å; G830-R834 PolarHBondContact O-N 3.38Å; G830-R834 PolarHBondContact O-NE 3.25Å
831	I	81.8	Confident	78.9	Confident	67 Å²	67	72.9 Å²	72.9	34%	0.344	35%	0.351	S	S	.	.	H	α-helix	trans	-80.3	-49.5	172.2	-67.1	163.9	0	0	0	109.5	T348 K827 L828 E829 T833 R834 V835	T348-I831 HydrophobicContact CG2-CG2 4.15Å; K827-I831 VanDerWaalsContact O-CG1 3.3Å; K827-I831 WeakPolarHBondContact O-CG1 3.37Å; K827-I831 PolarHBondContact O-N 3.29Å; K827-I831 VanDerWaalsContact O-N 3.11Å; L828-I831 PolarHBondContact O-N 3.19Å; E829-I831 VanDerWaalsContact C-N 3.29Å; E829-I831 PolarHBondContact O-N 2.98Å; I831-T833 PolarHBondContact O-N 2.96Å; I831-R834 PolarHBondContact O-N 2.72Å; I831-V835 HydrophobicContact CG2-CG2 4.35Å; I831-V835 WeakPolarHBondContact O-CG2 3.23Å; I831-V835 PolarHBondContact O-N 3.27Å
832	M	79.1	Confident	79	Confident	19 Å²	19	75.9 Å²	75.9	9%	0.094	37%	0.367	C	S	.	.	H	α-helix	trans	-55.4	-51.8	176.2	-87.4	-174.1	64.5	0	0	111.8	L345 T348 F352 L828 E829 R834 V835 E836	L345-M832 HydrophobicContact CD1-CB 4.42Å; L345-M832 HydrophobicContact CD1-CG 4.13Å; T348-M832 HydrophobicContact CG2-CG 4.34Å; F352-M832 HydrophobicContact CB-SD 3.62Å; F352-M832 HydrophobicContact CD1-CE 4.37Å; F352-M832 HydrophobicContact CD1-SD 3.59Å; F352-M832 VanDerWaalsContact CD1-SD 3.59Å; F352-M832 HydrophobicContact CD2-SD 4.3Å; F352-M832 HydrophobicContact CE1-SD 4.33Å; F352-M832 HydrophobicContact CG-SD 3.57Å; F352-M832 VanDerWaalsContact CG-SD 3.57Å; L828-M832 PolarHBondContact O-N 2.95Å; E829-M832 PolarHBondContact O-N 3.19Å; M832-R834 VanDerWaalsContact C-N 3.32Å; M832-R834 PolarHBondContact O-N 2.72Å; M832-V835 PolarHBondContact O-N 3.48Å; M832-E836 WeakPolarHBondContact O-CB 3.46Å; M832-E836 WeakPolarHBondContact O-CG 3.4Å; M832-E836 PolarHBondContact O-N 3.18Å
833	T	78.3	Confident	79.2	Confident	56 Å²	56	72.9 Å²	72.9	34%	0.344	35%	0.352	S	S	.	.	H	α-helix	trans	-61.2	-38.7	179.3	43.4	0	0	0	0	112.3	E829 G830 I831 T837	E829-T833 WeakPolarHBondContact O-CB 3.35Å; E829-T833 PolarHBondContact O-N 3.08Å; E829-T833 PolarHBondContact O-OG1 3.45Å; G830-T833 WeakPolarHBondContact CA-OG1 3.44Å; I831-T833 PolarHBondContact O-N 2.96Å; T833-T837 VanDerWaalsContact O-CB 3.24Å; T833-T837 WeakPolarHBondContact O-CB 3.46Å; T833-T837 PolarHBondContact O-N 3.21Å; T833-T837 PolarHBondContact O-OG1 3.48Å
834	R	81.2	Confident	79.2	Confident	183 Å²	183	73.4 Å²	73.4	69%	0.691	35%	0.346	S	S	*	.	H	α-helix	trans	-64.2	-45.1	174.5	-90.7	-178.2	-88.4	176.5	-12.1	112.1	G830 I831 M832 Y838	G830-R834 WeakPolarHBondContact O-CB 3.35Å; G830-R834 WeakPolarHBondContact O-CG 3.46Å; G830-R834 PolarHBondContact O-N 3.38Å; G830-R834 PolarHBondContact O-NE 3.25Å; I831-R834 PolarHBondContact O-N 2.72Å; M832-R834 VanDerWaalsContact C-N 3.32Å; M832-R834 PolarHBondContact O-N 2.72Å; R834-Y838 WeakPolarHBondContact O-CB 2.98Å; R834-Y838 PolarHBondContact O-N 2.97Å
835	V	81.9	Confident	79.2	Confident	11 Å²	11	74.4 Å²	74.4	7%	0.067	35%	0.349	C	S	.	.	H	α-helix	trans	-65.7	-48.1	178.3	175.1	0	0	0	0	110	K341 E344 L345 I831 M832 T837 Y838 L839	K341-V835 HydrophobicContact CB-CG1 4.32Å; K341-V835 WeakPolarHBondContact O-CG1 3.45Å; E344-V835 HydrophobicContact CG-CG2 4.45Å; L345-V835 HydrophobicContact CB-CG1 4.18Å; L345-V835 HydrophobicContact CD1-CB 4.17Å; L345-V835 HydrophobicContact CD1-CG1 3.94Å; I831-V835 HydrophobicContact CG2-CG2 4.35Å; I831-V835 WeakPolarHBondContact O-CG2 3.23Å; I831-V835 PolarHBondContact O-N 3.27Å; M832-V835 PolarHBondContact O-N 3.48Å; V835-T837 PolarHBondContact O-N 3.46Å; V835-Y838 PolarHBondContact O-N 2.82Å; V835-L839 HydrophobicContact CG1-CD1 4.48Å; V835-L839 VanDerWaalsContact O-CB 3.23Å; V835-L839 WeakPolarHBondContact O-CB 3.2Å; V835-L839 PolarHBondContact O-N 3.19Å
836	E	76.8	Confident	79.2	Confident	73 Å²	73	75.1 Å²	75.1	34%	0.341	35%	0.352	S	S	.	.	H	α-helix	trans	-60.1	-44.3	177.1	-77.3	-179.8	166.3	0	0	112.9	L345 M832 Y838 L839 N840	L345-E836 HydrophobicContact CD1-CG 3.76Å; L345-E836 HydrophobicContact CD2-CG 4.25Å; M832-E836 WeakPolarHBondContact O-CB 3.46Å; M832-E836 WeakPolarHBondContact O-CG 3.4Å; M832-E836 PolarHBondContact O-N 3.18Å; E836-Y838 VanDerWaalsContact C-N 3.34Å; E836-L839 PolarHBondContact O-N 3.45Å; E836-N840 VanDerWaalsContact O-CB 3.31Å; E836-N840 WeakPolarHBondContact O-CB 3.26Å; E836-N840 PolarHBondContact O-N 2.74Å; E836-N840 PolarHBondContact O-ND2 3.18Å
837	T	79	Confident	79.4	Confident	67 Å²	67	71.5 Å²	71.5	41%	0.411	33%	0.334	S	S	.	.	H	α-helix	trans	-64.1	-43.8	178.5	-51.2	0	0	0	0	109.9	T833 V835 L839 E841	T833-T837 VanDerWaalsContact O-CB 3.24Å; T833-T837 WeakPolarHBondContact O-CB 3.46Å; T833-T837 PolarHBondContact O-N 3.21Å; T833-T837 PolarHBondContact O-OG1 3.48Å; V835-T837 PolarHBondContact O-N 3.46Å; T837-L839 VanDerWaalsContact C-N 3.33Å; T837-L839 PolarHBondContact O-N 3.37Å; T837-E841 HydrophobicContact CG2-CB 4.47Å; T837-E841 HydrophobicContact CG2-CG 4.03Å; T837-E841 WeakPolarHBondContact CG2-OE2 3.36Å; T837-E841 VanDerWaalsContact O-CB 3.27Å; T837-E841 WeakPolarHBondContact O-CB 3.35Å; T837-E841 PolarHBondContact O-N 2.9Å
838	Y	77.7	Confident	79.1	Confident	104 Å²	104	68 Å²	68	41%	0.408	32%	0.322	S	S	.	.	I	π-helix	trans	-64.8	-37.2	176.1	-171.5	-108.1	0	0	0	112.5	K341 R834 V835 E836 N842 L843	K341-Y838 HydrophobicContact CG-CD1 4.31Å; K341-Y838 HydrophobicContact CG-CE1 4.48Å; R834-Y838 WeakPolarHBondContact O-CB 2.98Å; R834-Y838 PolarHBondContact O-N 2.97Å; V835-Y838 PolarHBondContact O-N 2.82Å; E836-Y838 VanDerWaalsContact C-N 3.34Å; Y838-N842 HydrophobicContact CD2-CB 4.14Å; Y838-N842 HydrophobicContact CE2-CB 4.35Å; Y838-N842 WeakPolarHBondContact O-CB 3.49Å; Y838-N842 PolarHBondContact O-N 3.46Å; Y838-L843 HydrophobicContact CD1-CD1 3.86Å; Y838-L843 HydrophobicContact CD1-CG 4.19Å; Y838-L843 HydrophobicContact CE1-CD1 3.7Å; Y838-L843 HydrophobicContact CE1-CD2 4.28Å; Y838-L843 HydrophobicContact CE1-CG 3.92Å; Y838-L843 PolarHBondContact O-N 2.68Å
839	L	79.7	Confident	79	Confident	5 Å²	5	70.2 Å²	70.2	3%	0.026	33%	0.331	C	S	.	.	I	π-helix	trans	-72.9	-44.6	-178.9	-147.3	151.4	0	0	0	111.7	I338 K341 Q342 V835 E836 T837 R844	I338-L839 HydrophobicContact CG2-CD2 4.18Å; K341-L839 HydrophobicContact CB-CD1 3.75Å; K341-L839 HydrophobicContact CB-CG 4.41Å; Q342-L839 HydrophobicContact CG-CD1 3.86Å; Q342-L839 HydrophobicContact CG-CD2 4.4Å; V835-L839 HydrophobicContact CG1-CD1 4.48Å; V835-L839 VanDerWaalsContact O-CB 3.23Å; V835-L839 WeakPolarHBondContact O-CB 3.2Å; V835-L839 PolarHBondContact O-N 3.19Å; E836-L839 PolarHBondContact O-N 3.45Å; T837-L839 VanDerWaalsContact C-N 3.33Å; T837-L839 PolarHBondContact O-N 3.37Å; L839-R844 HydrophobicContact CD2-CG 4.1Å; L839-R844 VanDerWaalsContact O-CB 3.3Å; L839-R844 WeakPolarHBondContact O-CB 3.37Å; L839-R844 VanDerWaalsContact O-CG 3.27Å; L839-R844 WeakPolarHBondContact O-CG 3.4Å; L839-R844 PolarHBondContact O-N 2.86Å
840	N	75.1	Confident	79.1	Confident	78 Å²	78	67.3 Å²	67.3	42%	0.417	32%	0.318	S	S	.	.	I	π-helix	trans	-84.8	-47.7	-176.5	-69.8	-31.9	0	0	0	113	E836 R844	E836-N840 VanDerWaalsContact O-CB 3.31Å; E836-N840 WeakPolarHBondContact O-CB 3.26Å; E836-N840 PolarHBondContact O-N 2.74Å; E836-N840 PolarHBondContact O-ND2 3.18Å; N840-R844 WeakPolarHBondContact OD1-CD 3.15Å; N840-R844 PolarHBondContact OD1-NH1 3.14Å
841	E	76.4	Confident	78.9	Confident	139 Å²	139	69.5 Å²	69.5	65%	0.65	32%	0.323	S	S	*	.	I	π-helix	trans	-83	-26.9	-173.5	-59.6	-163.6	150	0	0	113.4	T837 K845	T837-E841 HydrophobicContact CG2-CB 4.47Å; T837-E841 HydrophobicContact CG2-CG 4.03Å; T837-E841 WeakPolarHBondContact CG2-OE2 3.36Å; T837-E841 VanDerWaalsContact O-CB 3.27Å; T837-E841 WeakPolarHBondContact O-CB 3.35Å; T837-E841 PolarHBondContact O-N 2.9Å; E841-K845 VanDerWaalsContact O-CB 3.3Å; E841-K845 WeakPolarHBondContact O-CB 3.34Å; E841-K845 WeakPolarHBondContact O-CD 3.37Å
842	N	80.9	Confident	78.6	Confident	96 Å²	96	71.6 Å²	71.6	51%	0.513	33%	0.331	S	S	.	.	I	π-helix	trans	-107.5	-65	-175.6	-136.8	-30.7	0	0	0	111.2	Y838 R846	Y838-N842 HydrophobicContact CD2-CB 4.14Å; Y838-N842 HydrophobicContact CE2-CB 4.35Å; Y838-N842 WeakPolarHBondContact O-CB 3.49Å; Y838-N842 PolarHBondContact O-N 3.46Å; N842-R846 WeakPolarHBondContact O-CB 3.33Å; N842-R846 PolarHBondContact O-N 2.92Å
843	L	79.6	Confident	78.4	Confident	7 Å²	7	74.3 Å²	74.3	4%	0.037	34%	0.344	C	S	.	.	I	π-helix	trans	-70.4	-51.5	-171.7	-67.4	174.6	0	0	0	113.3	L334 K337 I338 K341 Y838 R846 L847	L334-L843 HydrophobicContact CD2-CD2 3.96Å; K337-L843 HydrophobicContact CB-CD1 4.35Å; K337-L843 HydrophobicContact CB-CD2 4.18Å; K337-L843 HydrophobicContact CD-CD2 4.44Å; I338-L843 HydrophobicContact CD1-CB 4.14Å; I338-L843 HydrophobicContact CG1-CB 3.61Å; I338-L843 HydrophobicContact CG1-CD1 4.07Å; I338-L843 HydrophobicContact CG1-CG 4.39Å; K341-L843 HydrophobicContact CB-CD1 4.5Å; K341-L843 HydrophobicContact CG-CD1 4.17Å; Y838-L843 HydrophobicContact CD1-CD1 3.86Å; Y838-L843 HydrophobicContact CD1-CG 4.19Å; Y838-L843 HydrophobicContact CE1-CD1 3.7Å; Y838-L843 HydrophobicContact CE1-CD2 4.28Å; Y838-L843 HydrophobicContact CE1-CG 3.92Å; Y838-L843 PolarHBondContact O-N 2.68Å; L843-R846 PolarHBondContact O-N 3.43Å; L843-L847 WeakPolarHBondContact O-CB 3.45Å; L843-L847 PolarHBondContact O-N 3.45Å
844	R	79.3	Confident	78.1	Confident	103 Å²	103	72.4 Å²	72.4	39%	0.389	33%	0.331	S	S	.	.	I	π-helix	trans	-68.2	-39.4	179.7	-76.5	176.6	177.8	-167.4	-0.8	112.4	I338 L839 N840 R846 L847 D848	I338-R844 HydrophobicContact CD1-CG 4.34Å; L839-R844 HydrophobicContact CD2-CG 4.1Å; L839-R844 VanDerWaalsContact O-CB 3.3Å; L839-R844 WeakPolarHBondContact O-CB 3.37Å; L839-R844 VanDerWaalsContact O-CG 3.27Å; L839-R844 WeakPolarHBondContact O-CG 3.4Å; L839-R844 PolarHBondContact O-N 2.86Å; N840-R844 WeakPolarHBondContact OD1-CD 3.15Å; N840-R844 PolarHBondContact OD1-NH1 3.14Å; R844-R846 VanDerWaalsContact C-N 3.33Å; R844-R846 PolarHBondContact O-N 3.21Å; R844-L847 WeakPolarHBondContact O-CB 3.41Å; R844-L847 PolarHBondContact O-N 3Å; R844-D848 PolarHBondContact O-N 2.85Å
845	K	79.5	Confident	77.4	Confident	128 Å²	128	67.9 Å²	67.9	56%	0.557	32%	0.321	S	S	*	.	H	α-helix	trans	-63.8	-39.4	175.6	-162.7	179.8	-177.4	-176.4	0	112.1	E841 Q849	E841-K845 VanDerWaalsContact O-CB 3.3Å; E841-K845 WeakPolarHBondContact O-CB 3.34Å; E841-K845 WeakPolarHBondContact O-CD 3.37Å; K845-Q849 WeakPolarHBondContact O-CG 3.22Å; K845-Q849 PolarHBondContact O-N 3.47Å; K845-Q849 VanDerWaalsContact O-N 3.09Å
846	R	80.9	Confident	76.7	Confident	87 Å²	87	73.4 Å²	73.4	33%	0.328	35%	0.346	S	S	.	.	H	α-helix	trans	-70.3	-37.3	174	-173.3	62.7	-179.4	164.7	6.1	111.8	E330 L334 N842 L843 R844 Q849 V850	E330-R846 IonicContact OE1-CZ 3.56Å; E330-R846 IonicContact OE1-NE 3.27Å; E330-R846 PolarHBondContact OE1-NE 3.38Å; E330-R846 IonicContact OE1-NH2 3.89Å; E330-R846 PolarHBondContact OE1-NH2 2.89Å; E330-R846 IonicContact OE2-NH2 3.67Å; L334-R846 HydrophobicContact CD1-CB 4.39Å; L334-R846 HydrophobicContact CD1-CG 3.84Å; L334-R846 HydrophobicContact CD2-CB 4.42Å; L334-R846 HydrophobicContact CD2-CG 4.21Å; N842-R846 WeakPolarHBondContact O-CB 3.33Å; N842-R846 PolarHBondContact O-N 2.92Å; L843-R846 PolarHBondContact O-N 3.43Å; R844-R846 VanDerWaalsContact C-N 3.33Å; R844-R846 PolarHBondContact O-N 3.21Å; R846-Q849 PolarHBondContact O-N 3.24Å; R846-V850 WeakPolarHBondContact O-CB 3.38Å; R846-V850 VanDerWaalsContact O-CG2 3.28Å; R846-V850 WeakPolarHBondContact O-CG2 3.45Å; R846-V850 PolarHBondContact O-N 3.25Å
847	L	79.4	Confident	76.2	Confident	20 Å²	20	71.2 Å²	71.2	11%	0.105	34%	0.336	C	S	.	.	H	α-helix	trans	-59.9	-47.2	172.6	-170.9	83.7	0	0	0	110.8	R331 L334 L335 I338 L843 R844 Q849 V850 E851	R331-L847 HydrophobicContact CG-CD1 4Å; L334-L847 HydrophobicContact CB-CD1 3.93Å; L335-L847 HydrophobicContact CD2-CD1 3.98Å; L335-L847 HydrophobicContact CD2-CD2 4.05Å; L335-L847 HydrophobicContact CG-CD1 3.93Å; I338-L847 HydrophobicContact CD1-CB 4.21Å; I338-L847 HydrophobicContact CD1-CD1 4.37Å; I338-L847 HydrophobicContact CD1-CD2 3.99Å; I338-L847 HydrophobicContact CD1-CG 4.43Å; L843-L847 WeakPolarHBondContact O-CB 3.45Å; L843-L847 PolarHBondContact O-N 3.45Å; R844-L847 WeakPolarHBondContact O-CB 3.41Å; R844-L847 PolarHBondContact O-N 3Å; L847-Q849 VanDerWaalsContact C-N 3.33Å; L847-Q849 PolarHBondContact O-N 3.22Å; L847-V850 PolarHBondContact O-N 3.21Å; L847-E851 WeakPolarHBondContact O-CB 3.12Å; L847-E851 WeakPolarHBondContact O-CG 3.25Å; L847-E851 PolarHBondContact O-N 2.94Å
848	D	75.5	Confident	75.2	Confident	74 Å²	74	76.4 Å²	76.4	40%	0.396	35%	0.348	S	S	.	.	H	α-helix	trans	-60.2	-41.2	177	-82	-15.7	0	0	0	111.9	R844 E851 Q852	R844-D848 PolarHBondContact O-N 2.85Å; D848-E851 PolarHBondContact O-N 2.74Å; D848-Q852 WeakPolarHBondContact O-CB 3.5Å; D848-Q852 PolarHBondContact O-N 2.72Å
849	Q	80.1	Confident	74	Confident	78 Å²	78	77.4 Å²	77.4	36%	0.364	36%	0.357	S	S	.	.	H	α-helix	trans	-62.3	-48.1	174.2	-75.2	175.1	-8.7	0	0	111.8	K845 R846 L847 E851 Q852 E853	K845-Q849 WeakPolarHBondContact O-CG 3.22Å; K845-Q849 PolarHBondContact O-N 3.47Å; K845-Q849 VanDerWaalsContact O-N 3.09Å; R846-Q849 PolarHBondContact O-N 3.24Å; L847-Q849 VanDerWaalsContact C-N 3.33Å; L847-Q849 PolarHBondContact O-N 3.22Å; Q849-E851 VanDerWaalsContact C-N 3.28Å; Q849-E851 PolarHBondContact O-N 3.2Å; Q849-Q852 WeakPolarHBondContact O-CB 3.48Å; Q849-Q852 PolarHBondContact O-N 3.15Å; Q849-E853 WeakPolarHBondContact O-CG 3.39Å; Q849-E853 PolarHBondContact O-N 2.73Å
850	V	80.4	Confident	72.7	Confident	0 Å²	0	80.5 Å²	80.5	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-64.9	-34.3	178.6	171.2	0	0	0	0	111	L327 E330 R331 L334 R846 L847 L854	L327-V850 HydrophobicContact CB-CG1 4.28Å; L327-V850 HydrophobicContact CD2-CG1 4.26Å; E330-V850 HydrophobicContact CG-CG2 4.27Å; R331-V850 HydrophobicContact CB-CG1 3.95Å; L334-V850 HydrophobicContact CD1-CG2 4.07Å; R846-V850 WeakPolarHBondContact O-CB 3.38Å; R846-V850 VanDerWaalsContact O-CG2 3.28Å; R846-V850 WeakPolarHBondContact O-CG2 3.45Å; R846-V850 PolarHBondContact O-N 3.25Å; L847-V850 PolarHBondContact O-N 3.21Å; V850-L854 HydrophobicContact CG1-CD1 4.01Å; V850-L854 VanDerWaalsContact O-CB 3.24Å; V850-L854 WeakPolarHBondContact O-CB 3.5Å; V850-L854 WeakPolarHBondContact O-CD1 3.48Å; V850-L854 WeakPolarHBondContact O-CG 3.32Å; V850-L854 PolarHBondContact O-N 2.95Å
851	E	75.1	Confident	71.7	Confident	65 Å²	65	81.4 Å²	81.4	30%	0.304	38%	0.378	S	S	.	.	H	α-helix	trans	-72.4	-33.3	174.1	-74.9	-169.2	163.2	0	0	112.7	R331 L847 D848 Q849 N855	R331-E851 IonicContact CZ-OE1 3.69Å; R331-E851 IonicContact NE-OE1 3.97Å; R331-E851 PolarHBondContact NE-OE1 3.39Å; R331-E851 VanDerWaalsContact NE-OE1 3.08Å; R331-E851 IonicContact NH2-OE1 3.13Å; L847-E851 WeakPolarHBondContact O-CB 3.12Å; L847-E851 WeakPolarHBondContact O-CG 3.25Å; L847-E851 PolarHBondContact O-N 2.94Å; D848-E851 PolarHBondContact O-N 2.74Å; Q849-E851 VanDerWaalsContact C-N 3.28Å; Q849-E851 PolarHBondContact O-N 3.2Å; E851-N855 WeakPolarHBondContact O-CB 3.43Å; E851-N855 PolarHBondContact O-N 2.84Å; E851-N855 PolarHBondContact O-ND2 3.44Å
852	Q	74.5	Confident	70.8	Confident	110 Å²	110	75.5 Å²	75.5	51%	0.514	35%	0.354	S	S	.	.	H	α-helix	trans	-63.4	-52.1	169.4	-113.3	179.2	-28.1	0	0	111.4	D848 Q849 L854 N855 E856	D848-Q852 WeakPolarHBondContact O-CB 3.5Å; D848-Q852 PolarHBondContact O-N 2.72Å; Q849-Q852 WeakPolarHBondContact O-CB 3.48Å; Q849-Q852 PolarHBondContact O-N 3.15Å; Q852-L854 VanDerWaalsContact C-N 3.26Å; Q852-L854 PolarHBondContact O-N 3.15Å; Q852-N855 PolarHBondContact O-N 2.88Å; Q852-N855 VanDerWaalsContact O-N 3.07Å; Q852-E856 WeakPolarHBondContact O-CG 3.46Å; Q852-E856 PolarHBondContact O-N 3.39Å
853	E	74.6	Confident	69.9	Low	77 Å²	77	72.5 Å²	72.5	36%	0.36	35%	0.346	S	S	.	.	H	α-helix	trans	-59.6	-38.3	177	-69.9	173.9	-168.7	0	0	111.2	L327 Q849 L857	L327-E853 HydrophobicContact CD1-CB 3.89Å; L327-E853 VanDerWaalsContact CD2-OE2 3.26Å; L327-E853 WeakPolarHBondContact CD2-OE2 3.37Å; Q849-E853 WeakPolarHBondContact O-CG 3.39Å; Q849-E853 PolarHBondContact O-N 2.73Å; E853-L857 WeakPolarHBondContact O-CB 3.49Å; E853-L857 WeakPolarHBondContact O-CD1 3.49Å; E853-L857 WeakPolarHBondContact O-CG 3.34Å; E853-L857 PolarHBondContact O-N 2.94Å; E853-L857 VanDerWaalsContact O-N 3.07Å
854	L	72.6	Confident	69	Low	15 Å²	15	77 Å²	77	8%	0.079	37%	0.373	C	S	.	.	H	α-helix	trans	-66.2	-36.5	174.4	-89.2	162.4	0	0	0	113.5	R324 L327 L328 R331 V850 Q852 R858	R324-L854 HydrophobicContact CG-CD2 3.85Å; L327-L854 HydrophobicContact CB-CD1 4.28Å; L327-L854 HydrophobicContact CB-CD2 4.09Å; L327-L854 HydrophobicContact CB-CG 3.89Å; L327-L854 HydrophobicContact CD1-CG 4.45Å; L328-L854 HydrophobicContact CD2-CD1 4.18Å; L328-L854 HydrophobicContact CD2-CD2 3.99Å; L328-L854 HydrophobicContact CG-CD2 3.9Å; R331-L854 HydrophobicContact CB-CD1 4.28Å; V850-L854 HydrophobicContact CG1-CD1 4.01Å; V850-L854 VanDerWaalsContact O-CB 3.24Å; V850-L854 WeakPolarHBondContact O-CB 3.5Å; V850-L854 WeakPolarHBondContact O-CD1 3.48Å; V850-L854 WeakPolarHBondContact O-CG 3.32Å; V850-L854 PolarHBondContact O-N 2.95Å; Q852-L854 VanDerWaalsContact C-N 3.26Å; Q852-L854 PolarHBondContact O-N 3.15Å; L854-R858 WeakPolarHBondContact O-CB 3.34Å; L854-R858 PolarHBondContact O-N 3.49Å; L854-R858 VanDerWaalsContact O-N 3.11Å
855	N	66.6	Low	68.4	Low	88 Å²	88	74.8 Å²	74.8	47%	0.471	37%	0.372	S	S	.	.	H	α-helix	trans	-73.3	-40.8	177.9	-82.7	-21.4	0	0	0	111.5	E851 Q852 L857 R858 E859	E851-N855 WeakPolarHBondContact O-CB 3.43Å; E851-N855 PolarHBondContact O-N 2.84Å; E851-N855 PolarHBondContact O-ND2 3.44Å; Q852-N855 PolarHBondContact O-N 2.88Å; Q852-N855 VanDerWaalsContact O-N 3.07Å; N855-L857 VanDerWaalsContact C-N 3.3Å; N855-L857 PolarHBondContact O-N 3.28Å; N855-R858 WeakPolarHBondContact O-CA 3.22Å; N855-R858 WeakPolarHBondContact O-CB 3.42Å; N855-R858 PolarHBondContact O-N 3.42Å; N855-E859 PolarHBondContact O-N 3.07Å
856	E	67.9	Low	68.1	Low	127 Å²	127	70 Å²	70	59%	0.593	35%	0.352	S	S	*	.	H	α-helix	trans	-59.8	-41.6	173.2	-70.8	175.4	-178.2	0	0	111.2	Q852 R858 E859	Q852-E856 WeakPolarHBondContact O-CG 3.46Å; Q852-E856 PolarHBondContact O-N 3.39Å; E856-R858 VanDerWaalsContact C-N 3.25Å; E856-R858 PolarHBondContact O-N 2.79Å; E856-E859 PolarHBondContact O-N 3.14Å
857	L	65.2	Low	67.7	Low	27 Å²	27	70.1 Å²	70.1	14%	0.141	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-17	172.8	-81.4	159.6	0	0	0	114.3	N320 Q323 L327 E853 N855 T860	N320-L857 HydrophobicContact CB-CD2 3.77Å; Q323-L857 HydrophobicContact CB-CD1 4.21Å; Q323-L857 HydrophobicContact CB-CD2 4.45Å; L327-L857 HydrophobicContact CD1-CD1 3.36Å; E853-L857 WeakPolarHBondContact O-CB 3.49Å; E853-L857 WeakPolarHBondContact O-CD1 3.49Å; E853-L857 WeakPolarHBondContact O-CG 3.34Å; E853-L857 PolarHBondContact O-N 2.94Å; E853-L857 VanDerWaalsContact O-N 3.07Å; N855-L857 VanDerWaalsContact C-N 3.3Å; N855-L857 PolarHBondContact O-N 3.28Å; L857-T860 PolarHBondContact O-OG1 3Å; L857-T860 VanDerWaalsContact O-OG1 3.09Å
858	R	57.6	Low	67.3	Low	176 Å²	176	70.1 Å²	70.1	66%	0.664	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-24.9	176.7	-150.6	178.1	177.5	-169.9	-2.1	111.7	L854 N855 E856	L854-R858 WeakPolarHBondContact O-CB 3.34Å; L854-R858 PolarHBondContact O-N 3.49Å; L854-R858 VanDerWaalsContact O-N 3.11Å; N855-R858 WeakPolarHBondContact O-CA 3.22Å; N855-R858 WeakPolarHBondContact O-CB 3.42Å; N855-R858 PolarHBondContact O-N 3.42Å; E856-R858 VanDerWaalsContact C-N 3.25Å; E856-R858 PolarHBondContact O-N 2.79Å
859	E	52.7	Low	67.2	Low	126 Å²	126	67 Å²	67	59%	0.589	35%	0.349	S	S	*	.	S	Bend	trans	-83.1	-8.7	-180	-75.7	-174.2	162.4	0	0	114.2	N855 E856 E861	N855-E859 PolarHBondContact O-N 3.07Å; E856-E859 PolarHBondContact O-N 3.14Å; E859-E861 PolarHBondContact O-N 3.41Å
860	T	52.8	Low	67	Low	70 Å²	70	66 Å²	66	43%	0.429	35%	0.348	S	S	.	.			trans	-68	98.3	169.8	35.5	0	0	0	0	110.9	L857 G862	L857-T860 PolarHBondContact O-OG1 3Å; L857-T860 VanDerWaalsContact O-OG1 3.09Å; T860-G862 PolarHBondContact O-N 3.46Å
861	E	54.3	Low	66.9	Low	97 Å²	97	69.8 Å²	69.8	45%	0.453	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	10.9	171.8	-66.2	177.2	173.6	0	0	114.3	K736 R739 E859 G863 T864 V865	K736-E861 IonicContact NZ-OE2 3.66Å; R739-E861 IonicContact NH1-OE1 3.73Å; E859-E861 PolarHBondContact O-N 3.41Å; E861-G863 VanDerWaalsContact C-N 3.25Å; E861-G863 PolarHBondContact O-N 3.15Å; E861-G863 VanDerWaalsContact O-N 3.14Å; E861-T864 PolarHBondContact O-N 2.94Å; E861-T864 PolarHBondContact O-OG1 3.02Å; E861-T864 VanDerWaalsContact O-OG1 3.06Å; E861-V865 WeakPolarHBondContact O-CG2 3.37Å; E861-V865 PolarHBondContact O-N 3.08Å
862	G	56.5	Low	67	Low	14 Å²	14	69.8 Å²	69.8	14%	0.144	38%	0.375	C	S	.	.	H	α-helix	trans	-59.4	-30.2	-172.8	0	0	0	0	0	114.1	L317 T860 L866	L317-G862 WeakPolarHBondContact CD1-O 3.4Å; T860-G862 PolarHBondContact O-N 3.46Å; G862-L866 WeakPolarHBondContact O-CB 3.35Å; G862-L866 PolarHBondContact O-N 3.3Å
863	G	61.9	Low	67.3	Low	33 Å²	33	65.6 Å²	65.6	34%	0.34	36%	0.356	S	S	.	.	H	α-helix	trans	-70.8	-41.8	-176.9	0	0	0	0	0	114.6	E861 T867	E861-G863 VanDerWaalsContact C-N 3.25Å; E861-G863 PolarHBondContact O-N 3.15Å; E861-G863 VanDerWaalsContact O-N 3.14Å; G863-T867 WeakPolarHBondContact O-CG2 3.36Å; G863-T867 PolarHBondContact O-N 3.45Å; G863-T867 VanDerWaalsContact O-N 3.09Å; G863-T867 PolarHBondContact O-OG1 3.36Å
864	T	62.7	Low	67.6	Low	101 Å²	101	66.9 Å²	66.9	62%	0.62	37%	0.365	S	S	*	.	H	α-helix	trans	-73.1	-37.1	176.2	41.8	0	0	0	0	111.1	E861 T867 A868	E861-T864 PolarHBondContact O-N 2.94Å; E861-T864 PolarHBondContact O-OG1 3.02Å; E861-T864 VanDerWaalsContact O-OG1 3.06Å; T864-T867 WeakPolarHBondContact CA-OG1 3.43Å; T864-T867 PolarHBondContact O-OG1 3.22Å; T864-A868 WeakPolarHBondContact O-CB 3.49Å; T864-A868 PolarHBondContact O-N 3.03Å; T864-A868 VanDerWaalsContact O-N 3.08Å
865	V	66	Low	68	Low	58 Å²	58	67.7 Å²	67.7	35%	0.352	38%	0.377	S	S	.	.	H	α-helix	trans	-67.1	-41.2	174.2	-178.3	0	0	0	0	111	L313 E861 A868 T869	L313-V865 HydrophobicContact CD1-CG1 3.8Å; E861-V865 WeakPolarHBondContact O-CG2 3.37Å; E861-V865 PolarHBondContact O-N 3.08Å; V865-A868 PolarHBondContact O-N 3.47Å; V865-T869 HydrophobicContact CG1-CG2 4.42Å; V865-T869 WeakPolarHBondContact O-CG2 3.4Å; V865-T869 PolarHBondContact O-N 3.13Å; V865-T869 PolarHBondContact O-OG1 3.04Å; V865-T869 VanDerWaalsContact O-OG1 3.12Å
866	L	72.3	Confident	68.7	Low	27 Å²	27	63.8 Å²	63.8	14%	0.141	36%	0.356	C	S	.	.	H	α-helix	trans	-61.8	-49.3	177	-178.7	68.6	0	0	0	111.1	A310 L313 Q314 L317 G862 A868 T869 T870	A310-L866 HydrophobicContact CB-CD1 4.2Å; A310-L866 WeakPolarHBondContact O-CD1 3.46Å; L313-L866 HydrophobicContact CB-CD1 3.91Å; Q314-L866 HydrophobicContact CB-CD1 4.16Å; Q314-L866 HydrophobicContact CB-CD2 4.24Å; Q314-L866 HydrophobicContact CG-CD2 4.42Å; L317-L866 HydrophobicContact CD1-CB 3.85Å; L317-L866 HydrophobicContact CD1-CD2 3.51Å; L317-L866 HydrophobicContact CD1-CG 4.26Å; G862-L866 WeakPolarHBondContact O-CB 3.35Å; G862-L866 PolarHBondContact O-N 3.3Å; L866-A868 VanDerWaalsContact C-N 3.31Å; L866-A868 PolarHBondContact O-N 3.16Å; L866-T869 WeakPolarHBondContact CA-OG1 3.41Å; L866-T869 PolarHBondContact O-N 2.75Å; L866-T869 VanDerWaalsContact O-N 3.14Å; L866-T869 PolarHBondContact O-OG1 2.91Å; L866-T870 HydrophobicContact CD1-CG2 4.23Å; L866-T870 HydrophobicContact CG-CG2 4.37Å; L866-T870 WeakPolarHBondContact O-CG2 3.28Å; L866-T870 PolarHBondContact O-N 3.15Å; L866-T870 PolarHBondContact O-OG1 3.33Å; L866-T870 VanDerWaalsContact O-OG1 3.08Å
867	T	72.3	Confident	69.5	Low	89 Å²	89	60 Å²	60	55%	0.546	34%	0.339	S	S	.	.	H	α-helix	trans	-62	-35.8	178.9	45.1	0	0	0	0	113.2	G863 T864 T870 S871	G863-T867 WeakPolarHBondContact O-CG2 3.36Å; G863-T867 PolarHBondContact O-N 3.45Å; G863-T867 VanDerWaalsContact O-N 3.09Å; G863-T867 PolarHBondContact O-OG1 3.36Å; T864-T867 WeakPolarHBondContact CA-OG1 3.43Å; T864-T867 PolarHBondContact O-OG1 3.22Å; T867-T870 WeakPolarHBondContact CA-OG1 3.13Å; T867-T870 PolarHBondContact O-OG1 3Å; T867-T870 VanDerWaalsContact O-OG1 3.05Å; T867-S871 WeakPolarHBondContact O-CB 3.38Å; T867-S871 PolarHBondContact O-N 3.45Å; T867-S871 VanDerWaalsContact O-N 3.14Å
868	A	72.4	Confident	70.5	Confident	21 Å²	21	65.5 Å²	65.5	17%	0.174	36%	0.363	C	S	.	.	H	α-helix	trans	-65.9	-47.9	171.2	0	0	0	0	0	111.8	Y460 T864 V865 L866 T870 S871 E872	Y460-A868 VanDerWaalsContact OH-CB 3.3Å; Y460-A868 WeakPolarHBondContact OH-CB 3.45Å; T864-A868 WeakPolarHBondContact O-CB 3.49Å; T864-A868 PolarHBondContact O-N 3.03Å; T864-A868 VanDerWaalsContact O-N 3.08Å; V865-A868 PolarHBondContact O-N 3.47Å; L866-A868 VanDerWaalsContact C-N 3.31Å; L866-A868 PolarHBondContact O-N 3.16Å; A868-T870 VanDerWaalsContact C-N 3.34Å; A868-T870 PolarHBondContact O-N 2.68Å; A868-S871 PolarHBondContact O-N 2.96Å; A868-E872 WeakPolarHBondContact O-CG 3.46Å; A868-E872 PolarHBondContact O-N 3.04Å
869	T	72.6	Confident	71.5	Confident	7 Å²	7	62.7 Å²	62.7	4%	0.043	35%	0.352	C	S	.	.	H	α-helix	trans	-64.9	-35	-179.8	54.2	0	0	0	0	113	K309 L313 V865 L866 L873	K309-T869 HydrophobicContact CD-CG2 4.45Å; L313-T869 HydrophobicContact CD1-CG2 4.29Å; V865-T869 HydrophobicContact CG1-CG2 4.42Å; V865-T869 WeakPolarHBondContact O-CG2 3.4Å; V865-T869 PolarHBondContact O-N 3.13Å; V865-T869 PolarHBondContact O-OG1 3.04Å; V865-T869 VanDerWaalsContact O-OG1 3.12Å; L866-T869 WeakPolarHBondContact CA-OG1 3.41Å; L866-T869 PolarHBondContact O-N 2.75Å; L866-T869 VanDerWaalsContact O-N 3.14Å; L866-T869 PolarHBondContact O-OG1 2.91Å; T869-L873 WeakPolarHBondContact O-CB 3.38Å; T869-L873 PolarHBondContact O-N 3.45Å
870	T	76.9	Confident	73.1	Confident	57 Å²	57	57.3 Å²	57.3	35%	0.35	33%	0.328	S	S	.	.	H	α-helix	trans	-71.6	-37.4	176	52.3	0	0	0	0	111.9	A310 L866 T867 A868 L873 D874	A310-T870 HydrophobicContact CB-CG2 4.32Å; L866-T870 HydrophobicContact CD1-CG2 4.23Å; L866-T870 HydrophobicContact CG-CG2 4.37Å; L866-T870 WeakPolarHBondContact O-CG2 3.28Å; L866-T870 PolarHBondContact O-N 3.15Å; L866-T870 PolarHBondContact O-OG1 3.33Å; L866-T870 VanDerWaalsContact O-OG1 3.08Å; T867-T870 WeakPolarHBondContact CA-OG1 3.13Å; T867-T870 PolarHBondContact O-OG1 3Å; T867-T870 VanDerWaalsContact O-OG1 3.05Å; A868-T870 VanDerWaalsContact C-N 3.34Å; A868-T870 PolarHBondContact O-N 2.68Å; T870-L873 WeakPolarHBondContact O-CB 3.25Å; T870-L873 PolarHBondContact O-N 3.01Å; T870-D874 PolarHBondContact O-N 3.45Å
871	S	77.6	Confident	74.7	Confident	81 Å²	81	61.5 Å²	61.5	57%	0.566	34%	0.34	S	S	*	.	H	α-helix	trans	-63.8	-41.8	173.4	-176	0	0	0	0	112.4	T867 A868 L873 D874 G875	T867-S871 WeakPolarHBondContact O-CB 3.38Å; T867-S871 PolarHBondContact O-N 3.45Å; T867-S871 VanDerWaalsContact O-N 3.14Å; A868-S871 PolarHBondContact O-N 2.96Å; S871-L873 VanDerWaalsContact C-N 3.32Å; S871-L873 PolarHBondContact O-N 3.37Å; S871-D874 PolarHBondContact O-N 3.47Å; S871-G875 PolarHBondContact O-N 3.01Å
872	E	77.8	Confident	76.2	Confident	65 Å²	65	63 Å²	63	30%	0.304	35%	0.347	S	S	.	.	H	α-helix	trans	-62.3	-40.1	173.6	-72.1	-174.8	165.2	0	0	111.8	L306 K463 A868 G875 I876	L306-E872 HydrophobicContact CD1-CB 3.89Å; K463-E872 IonicContact NZ-OE1 2.76Å; K463-E872 PolarHBondContact NZ-OE1 3.27Å; A868-E872 WeakPolarHBondContact O-CG 3.46Å; A868-E872 PolarHBondContact O-N 3.04Å; E872-G875 PolarHBondContact O-N 3.38Å; E872-I876 WeakPolarHBondContact O-CG1 3.33Å; E872-I876 PolarHBondContact O-N 3.14Å
873	L	81.2	Confident	77.5	Confident	21 Å²	21	63.1 Å²	63.1	11%	0.11	35%	0.345	C	S	.	.	H	α-helix	trans	-64.1	-42.4	178	-153.6	169	0	0	0	111.5	R303 L306 E307 A310 T869 T870 S871 G875 I876 N877	R303-L873 HydrophobicContact CG-CD2 4.07Å; L306-L873 HydrophobicContact CB-CD1 4.45Å; L306-L873 HydrophobicContact CB-CG 4.29Å; E307-L873 VanDerWaalsContact CA-CD1 3.45Å; E307-L873 HydrophobicContact CB-CD1 3.84Å; E307-L873 HydrophobicContact CG-CD1 4.25Å; A310-L873 HydrophobicContact CB-CD1 4.26Å; T869-L873 WeakPolarHBondContact O-CB 3.38Å; T869-L873 PolarHBondContact O-N 3.45Å; T870-L873 WeakPolarHBondContact O-CB 3.25Å; T870-L873 PolarHBondContact O-N 3.01Å; S871-L873 VanDerWaalsContact C-N 3.32Å; S871-L873 PolarHBondContact O-N 3.37Å; L873-G875 PolarHBondContact O-N 2.98Å; L873-I876 PolarHBondContact O-N 3.03Å; L873-N877 VanDerWaalsContact CD2-ND2 3.25Å; L873-N877 WeakPolarHBondContact CD2-ND2 3.49Å; L873-N877 WeakPolarHBondContact O-CB 3.37Å; L873-N877 PolarHBondContact O-N 2.98Å
874	D	80.8	Confident	78.6	Confident	105 Å²	105	64.5 Å²	64.5	56%	0.561	34%	0.344	S	S	*	.	H	α-helix	trans	-63.6	-39.2	174.2	-88	-12.9	0	0	0	112.6	T870 S871 N877 K878	T870-D874 PolarHBondContact O-N 3.45Å; S871-D874 PolarHBondContact O-N 3.47Å; D874-N877 PolarHBondContact O-N 3.3Å; D874-K878 PolarHBondContact O-N 3Å
875	G	80.7	Confident	79.8	Confident	31 Å²	31	62 Å²	62	32%	0.32	33%	0.334	S	S	.	.	H	α-helix	trans	-62.5	-41.7	173.9	0	0	0	0	0	112.8	S871 E872 L873 R879	S871-G875 PolarHBondContact O-N 3.01Å; E872-G875 PolarHBondContact O-N 3.38Å; L873-G875 PolarHBondContact O-N 2.98Å; G875-R879 PolarHBondContact O-N 3.13Å; G875-R879 PolarHBondContact O-NE 3.37Å
876	I	81.7	Confident	80.7	Confident	7 Å²	7	65.8 Å²	65.8	4%	0.036	34%	0.342	C	S	.	.	H	α-helix	trans	-67.5	-40	173.8	-66.2	-175.3	0	0	0	111.1	Q299 Q302 R303 L306 E872 L873 K878 R879 V880	Q299-I876 HydrophobicContact CB-CG2 4.48Å; Q299-I876 WeakPolarHBondContact O-CG2 3.44Å; Q302-I876 HydrophobicContact CB-CD1 3.8Å; R303-I876 HydrophobicContact CB-CG2 3.84Å; R303-I876 HydrophobicContact CG-CG2 4.43Å; L306-I876 HydrophobicContact CD1-CD1 3.58Å; E872-I876 WeakPolarHBondContact O-CG1 3.33Å; E872-I876 PolarHBondContact O-N 3.14Å; L873-I876 PolarHBondContact O-N 3.03Å; I876-K878 VanDerWaalsContact C-N 3.32Å; I876-K878 PolarHBondContact O-N 3.47Å; I876-R879 PolarHBondContact O-N 2.6Å; I876-V880 HydrophobicContact CG2-CG2 4.12Å; I876-V880 WeakPolarHBondContact O-CG2 3.35Å; I876-V880 PolarHBondContact O-N 3.35Å
877	N	83.8	Confident	81.3	Confident	46 Å²	46	65.1 Å²	65.1	25%	0.246	34%	0.34	C	S	.	.	H	α-helix	trans	-60.5	-39.1	177.7	-89.6	-32	0	0	0	113.2	R303 L873 D874 K881	R303-N877 WeakPolarHBondContact CD-OD1 3.32Å; L873-N877 VanDerWaalsContact CD2-ND2 3.25Å; L873-N877 WeakPolarHBondContact CD2-ND2 3.49Å; L873-N877 WeakPolarHBondContact O-CB 3.37Å; L873-N877 PolarHBondContact O-N 2.98Å; D874-N877 PolarHBondContact O-N 3.3Å; N877-K881 WeakPolarHBondContact O-CG 3.31Å; N877-K881 PolarHBondContact O-N 3.28Å
878	K	85.3	Confident	82	Confident	144 Å²	144	65.3 Å²	65.3	63%	0.626	34%	0.337	S	S	*	.	H	α-helix	trans	-63.3	-48.5	173.3	-75.5	-177.3	178.4	179.8	0	111.6	D874 I876 V880 K881 E882	D874-K878 PolarHBondContact O-N 3Å; I876-K878 VanDerWaalsContact C-N 3.32Å; I876-K878 PolarHBondContact O-N 3.47Å; K878-V880 VanDerWaalsContact C-N 3.33Å; K878-V880 PolarHBondContact O-N 2.98Å; K878-K881 WeakPolarHBondContact O-CB 3.28Å; K878-K881 PolarHBondContact O-N 3.37Å; K878-E882 WeakPolarHBondContact O-CG 3.21Å; K878-E882 PolarHBondContact O-N 2.7Å
879	R	80.1	Confident	82.8	Confident	117 Å²	117	69.7 Å²	69.7	44%	0.442	36%	0.358	S	S	.	.	H	α-helix	trans	-59.9	-39.4	178.5	-72.8	-175.7	-75.2	-171.4	-3	113.2	Q299 G875 I876 K881 E882 T883	Q299-R879 PolarHBondContact OE1-O 3.3Å; G875-R879 PolarHBondContact O-N 3.13Å; G875-R879 PolarHBondContact O-NE 3.37Å; I876-R879 PolarHBondContact O-N 2.6Å; R879-K881 VanDerWaalsContact C-N 3.33Å; R879-K881 PolarHBondContact O-N 3.3Å; R879-E882 PolarHBondContact O-N 3.37Å; R879-T883 PolarHBondContact O-N 3.1Å; R879-T883 PolarHBondContact O-OG1 2.93Å
880	V	84.7	Confident	83.4	Confident	13 Å²	13	70.2 Å²	70.2	8%	0.079	36%	0.36	C	S	.	.	H	α-helix	trans	-65	-36.4	175.4	171.6	0	0	0	0	111.5	Q299 I300 I876 K878 T883 L884	Q299-V880 HydrophobicContact CB-CG2 3.7Å; I300-V880 HydrophobicContact CG1-CG1 4.47Å; I876-V880 HydrophobicContact CG2-CG2 4.12Å; I876-V880 WeakPolarHBondContact O-CG2 3.35Å; I876-V880 PolarHBondContact O-N 3.35Å; K878-V880 VanDerWaalsContact C-N 3.33Å; K878-V880 PolarHBondContact O-N 2.98Å; V880-T883 WeakPolarHBondContact CA-OG1 3.36Å; V880-T883 PolarHBondContact O-OG1 3.4Å; V880-L884 WeakPolarHBondContact O-CB 3.42Å; V880-L884 PolarHBondContact O-N 3.14Å; V880-L884 VanDerWaalsContact O-N 3.08Å
881	K	86.6	Confident	83.8	Confident	158 Å²	158	69.8 Å²	69.8	69%	0.687	36%	0.356	S	S	*	.	H	α-helix	trans	-70.4	-41.1	175.8	-76.4	180	177.5	-179.4	0	112.1	N877 K878 R879 L884 A885	N877-K881 WeakPolarHBondContact O-CG 3.31Å; N877-K881 PolarHBondContact O-N 3.28Å; K878-K881 WeakPolarHBondContact O-CB 3.28Å; K878-K881 PolarHBondContact O-N 3.37Å; R879-K881 VanDerWaalsContact C-N 3.33Å; R879-K881 PolarHBondContact O-N 3.3Å; K881-L884 WeakPolarHBondContact O-CB 3.29Å; K881-L884 PolarHBondContact O-N 2.85Å; K881-A885 PolarHBondContact O-N 3.32Å
882	E	85.9	Confident	84.3	Confident	129 Å²	129	67.4 Å²	67.4	60%	0.603	34%	0.344	S	S	*	.	H	α-helix	trans	-65.4	-44.6	177.8	-71.9	166.9	-174.8	0	0	111.9	K878 R879 L884 A885 R886	K878-E882 WeakPolarHBondContact O-CG 3.21Å; K878-E882 PolarHBondContact O-N 2.7Å; R879-E882 PolarHBondContact O-N 3.37Å; E882-L884 VanDerWaalsContact C-N 3.32Å; E882-L884 PolarHBondContact O-N 3.18Å; E882-A885 PolarHBondContact O-N 2.82Å; E882-R886 WeakPolarHBondContact O-CB 3.14Å; E882-R886 PolarHBondContact O-N 3.18Å
883	T	83.8	Confident	84.9	Confident	15 Å²	15	68.4 Å²	68.4	9%	0.092	35%	0.351	C	S	.	.	H	α-helix	trans	-64.9	-35.1	174.5	37.5	0	0	0	0	112.4	L292 Q299 R879 V880 S887	L292-T883 HydrophobicContact CD2-CG2 4.27Å; Q299-T883 PolarHBondContact OE1-OG1 2.62Å; R879-T883 PolarHBondContact O-N 3.1Å; R879-T883 PolarHBondContact O-OG1 2.93Å; V880-T883 WeakPolarHBondContact CA-OG1 3.36Å; V880-T883 PolarHBondContact O-OG1 3.4Å; T883-S887 WeakPolarHBondContact O-CB 3.31Å; T883-S887 PolarHBondContact O-N 2.88Å
884	L	86.7	Confident	85.2	Confident	62 Å²	62	67.7 Å²	67.7	33%	0.325	35%	0.348	S	S	.	.	H	α-helix	trans	-62.4	-52.1	172.8	-169	96.9	0	0	0	111.4	V880 K881 E882 R886 S887 D888	V880-L884 WeakPolarHBondContact O-CB 3.42Å; V880-L884 PolarHBondContact O-N 3.14Å; V880-L884 VanDerWaalsContact O-N 3.08Å; K881-L884 WeakPolarHBondContact O-CB 3.29Å; K881-L884 PolarHBondContact O-N 2.85Å; E882-L884 VanDerWaalsContact C-N 3.32Å; E882-L884 PolarHBondContact O-N 3.18Å; L884-R886 VanDerWaalsContact C-N 3.3Å; L884-R886 PolarHBondContact O-N 2.97Å; L884-S887 WeakPolarHBondContact O-CB 3.34Å; L884-S887 PolarHBondContact O-N 3.15Å; L884-S887 VanDerWaalsContact O-N 3.14Å; L884-D888 PolarHBondContact O-N 2.73Å
885	A	87	Confident	85.6	Confident	50 Å²	50	67.8 Å²	67.8	41%	0.413	35%	0.348	S	S	.	.	H	α-helix	trans	-58.1	-43.8	-179.2	0	0	0	0	0	111.7	K881 E882 S887 D888 D889	K881-A885 PolarHBondContact O-N 3.32Å; E882-A885 PolarHBondContact O-N 2.82Å; A885-S887 PolarHBondContact O-N 2.96Å; A885-D888 PolarHBondContact O-N 3.16Å; A885-D889 PolarHBondContact O-N 2.76Å
886	R	84.7	Confident	86.1	Confident	136 Å²	136	73 Å²	73	51%	0.513	36%	0.362	S	S	.	.	H	α-helix	trans	-67.2	-34.5	178.1	-167.8	167.3	176.3	158.7	-1.5	113.2	E288 L292 E882 L884 L890	E288-R886 IonicContact OE1-NE 3.64Å; E288-R886 IonicContact OE1-NH2 2.66Å; E288-R886 PolarHBondContact OE1-NH2 3.36Å; L292-R886 HydrophobicContact CD1-CG 4.13Å; E882-R886 WeakPolarHBondContact O-CB 3.14Å; E882-R886 PolarHBondContact O-N 3.18Å; L884-R886 VanDerWaalsContact C-N 3.3Å; L884-R886 PolarHBondContact O-N 2.97Å; R886-L890 WeakPolarHBondContact O-CG 3.36Å; R886-L890 PolarHBondContact O-N 3.48Å; R886-L890 VanDerWaalsContact O-N 3.13Å
887	S	86.1	Confident	86.3	Confident	14 Å²	14	73.5 Å²	73.5	10%	0.098	37%	0.365	C	S	.	.	H	α-helix	trans	-66	-40.8	173.1	-177.7	0	0	0	0	111.7	T883 L884 A885 L890 D891	T883-S887 WeakPolarHBondContact O-CB 3.31Å; T883-S887 PolarHBondContact O-N 2.88Å; L884-S887 WeakPolarHBondContact O-CB 3.34Å; L884-S887 PolarHBondContact O-N 3.15Å; L884-S887 VanDerWaalsContact O-N 3.14Å; A885-S887 PolarHBondContact O-N 2.96Å; S887-L890 PolarHBondContact O-N 3.15Å; S887-D891 PolarHBondContact O-N 2.89Å; S887-D891 VanDerWaalsContact O-N 3.09Å
888	D	86.3	Confident	86.5	Confident	92 Å²	92	74 Å²	74	49%	0.492	37%	0.366	S	S	.	.	H	α-helix	trans	-69.1	-38	179.1	-68.3	-16.7	0	0	0	111.2	L884 A885 D891 G892	L884-D888 PolarHBondContact O-N 2.73Å; A885-D888 PolarHBondContact O-N 3.16Å; D888-D891 PolarHBondContact O-N 2.72Å; D888-G892 PolarHBondContact O-N 3.23Å
889	D	87.9	Confident	86.7	Confident	114 Å²	114	69.8 Å²	69.8	61%	0.61	36%	0.358	S	S	*	.	H	α-helix	trans	-62.9	-41.8	174.3	-73.9	-22.9	0	0	0	112.2	A885 G892 L893	A885-D889 PolarHBondContact O-N 2.76Å; D889-G892 PolarHBondContact O-N 3.41Å; D889-L893 PolarHBondContact O-N 2.92Å
890	L	85.3	Confident	87.2	Confident	18 Å²	18	68.6 Å²	68.6	9%	0.094	36%	0.358	C	S	.	.	H	α-helix	trans	-64.3	-39.6	175.4	-79.4	169.9	0	0	0	111.9	M285 E288 L292 R886 S887 G892 L893 V894	M285-L890 HydrophobicContact CB-CD2 4.41Å; M285-L890 HydrophobicContact CG-CD2 4.37Å; E288-L890 HydrophobicContact CB-CD1 4.28Å; E288-L890 HydrophobicContact CG-CD1 3.93Å; L292-L890 HydrophobicContact CD1-CD1 3.53Å; R886-L890 WeakPolarHBondContact O-CG 3.36Å; R886-L890 PolarHBondContact O-N 3.48Å; R886-L890 VanDerWaalsContact O-N 3.13Å; S887-L890 PolarHBondContact O-N 3.15Å; L890-G892 VanDerWaalsContact C-N 3.33Å; L890-G892 PolarHBondContact O-N 3.39Å; L890-L893 PolarHBondContact O-N 3.32Å; L890-V894 VanDerWaalsContact O-CG2 3.32Å; L890-V894 WeakPolarHBondContact O-CG2 3.46Å; L890-V894 PolarHBondContact O-N 2.86Å
891	D	85.9	Confident	87.4	Confident	48 Å²	48	68.7 Å²	68.7	26%	0.257	36%	0.358	S	S	.	.	H	α-helix	trans	-60.8	-43.4	173.8	-87.7	-24	0	0	0	111.6	K289 S887 D888 L893 V894 D895	K289-D891 WeakPolarHBondContact CD-OD1 3.5Å; K289-D891 VanDerWaalsContact CE-OD1 3.24Å; K289-D891 WeakPolarHBondContact CE-OD1 3.38Å; K289-D891 VanDerWaalsContact CE-OD2 3.27Å; K289-D891 WeakPolarHBondContact CE-OD2 3.32Å; K289-D891 IonicContact NZ-OD1 2.96Å; K289-D891 PolarHBondContact NZ-OD1 3.22Å; K289-D891 IonicContact NZ-OD2 2.7Å; K289-D891 PolarHBondContact NZ-OD2 3.35Å; S887-D891 PolarHBondContact O-N 2.89Å; S887-D891 VanDerWaalsContact O-N 3.09Å; D888-D891 PolarHBondContact O-N 2.72Å; D891-L893 VanDerWaalsContact C-N 3.3Å; D891-L893 PolarHBondContact O-N 2.77Å; D891-V894 PolarHBondContact O-N 3.25Å; D891-D895 PolarHBondContact O-N 3Å
892	G	88.8	Confident	87.5	Confident	31 Å²	31	67.5 Å²	67.5	32%	0.32	35%	0.352	S	S	.	.	H	α-helix	trans	-61.4	-35	174.2	0	0	0	0	0	113.8	D888 D889 L890 K896	D888-G892 PolarHBondContact O-N 3.23Å; D889-G892 PolarHBondContact O-N 3.41Å; L890-G892 VanDerWaalsContact C-N 3.33Å; L890-G892 PolarHBondContact O-N 3.39Å; G892-K896 VanDerWaalsContact O-CG 3.29Å; G892-K896 WeakPolarHBondContact O-CG 3.4Å; G892-K896 PolarHBondContact O-N 2.99Å
893	L	88.8	Confident	87.7	Confident	85 Å²	85	68.1 Å²	68.1	45%	0.445	36%	0.355	S	S	.	.	H	α-helix	trans	-73.4	-41.1	175.5	-110.1	80.3	0	0	0	112.6	M285 D889 L890 D891 K896 T897	M285-L893 HydrophobicContact CE-CD2 4.23Å; M285-L893 HydrophobicContact SD-CB 4Å; M285-L893 HydrophobicContact SD-CD2 4.24Å; D889-L893 PolarHBondContact O-N 2.92Å; L890-L893 PolarHBondContact O-N 3.32Å; D891-L893 VanDerWaalsContact C-N 3.3Å; D891-L893 PolarHBondContact O-N 2.77Å; L893-K896 PolarHBondContact O-N 3.13Å; L893-T897 WeakPolarHBondContact O-CG2 3.41Å; L893-T897 PolarHBondContact O-N 3.46Å; L893-T897 PolarHBondContact O-OG1 2.82Å
894	V	88.9	Confident	88	Confident	7 Å²	7	70.5 Å²	70.5	4%	0.042	37%	0.365	C	S	.	.	H	α-helix	trans	-60.9	-46.3	176.5	168.4	0	0	0	0	110	V282 M285 K286 L890 D891 K896 T897 E898	V282-V894 HydrophobicContact CG1-CG1 4.3Å; M285-V894 HydrophobicContact CB-CG2 3.61Å; M285-V894 HydrophobicContact SD-CG2 4.15Å; K286-V894 HydrophobicContact CG-CG1 4.47Å; K286-V894 HydrophobicContact CG-CG2 4.44Å; L890-V894 VanDerWaalsContact O-CG2 3.32Å; L890-V894 WeakPolarHBondContact O-CG2 3.46Å; L890-V894 PolarHBondContact O-N 2.86Å; D891-V894 PolarHBondContact O-N 3.25Å; V894-K896 VanDerWaalsContact C-N 3.35Å; V894-K896 PolarHBondContact O-N 2.84Å; V894-T897 PolarHBondContact O-N 3Å; V894-T897 PolarHBondContact O-OG1 3.48Å; V894-T897 VanDerWaalsContact O-OG1 3.04Å; V894-E898 HydrophobicContact CG1-CG 4.3Å; V894-E898 WeakPolarHBondContact O-CB 3.17Å; V894-E898 WeakPolarHBondContact O-CG 3.45Å; V894-E898 PolarHBondContact O-N 2.9Å
895	D	89.1	Confident	88	Confident	106 Å²	106	70.2 Å²	70.2	57%	0.567	36%	0.363	S	S	*	.	H	α-helix	trans	-62.7	-40.4	179.5	-76.2	-17	0	0	0	112.5	D891 A899	D891-D895 PolarHBondContact O-N 3Å; D895-A899 PolarHBondContact O-N 2.78Å
896	K	91.4	Very high	88.1	Confident	141 Å²	141	74 Å²	74	61%	0.613	37%	0.371	S	S	*	.	H	α-helix	trans	-63.5	-49.3	176	-75.1	173.1	-175.2	175.4	0	111.9	G892 L893 V894 E898 A899 E900	G892-K896 VanDerWaalsContact O-CG 3.29Å; G892-K896 WeakPolarHBondContact O-CG 3.4Å; G892-K896 PolarHBondContact O-N 2.99Å; L893-K896 PolarHBondContact O-N 3.13Å; V894-K896 VanDerWaalsContact C-N 3.35Å; V894-K896 PolarHBondContact O-N 2.84Å; K896-E898 VanDerWaalsContact C-N 3.35Å; K896-E898 PolarHBondContact O-N 3.31Å; K896-A899 WeakPolarHBondContact O-CB 3.31Å; K896-A899 PolarHBondContact O-N 2.67Å; K896-A899 VanDerWaalsContact O-N 3.15Å; K896-E900 PolarHBondContact O-N 3.05Å
897	T	85.9	Confident	88.3	Confident	17 Å²	17	69 Å²	69	10%	0.104	36%	0.356	C	S	.	.	H	α-helix	trans	-68.9	-32.9	-178.9	51.5	0	0	0	0	112.2	V282 M285 L893 V894 A899 E900 I901	V282-T897 VanDerWaalsContact CG2-OG1 3.32Å; V282-T897 WeakPolarHBondContact CG2-OG1 3.44Å; M285-T897 HydrophobicContact CE-CG2 4.36Å; L893-T897 WeakPolarHBondContact O-CG2 3.41Å; L893-T897 PolarHBondContact O-N 3.46Å; L893-T897 PolarHBondContact O-OG1 2.82Å; V894-T897 PolarHBondContact O-N 3Å; V894-T897 PolarHBondContact O-OG1 3.48Å; V894-T897 VanDerWaalsContact O-OG1 3.04Å; T897-A899 VanDerWaalsContact C-N 3.33Å; T897-E900 PolarHBondContact O-N 2.94Å; T897-I901 VanDerWaalsContact O-CG1 3.29Å; T897-I901 WeakPolarHBondContact O-CG1 3.01Å; T897-I901 PolarHBondContact O-N 3.42Å
898	E	86.8	Confident	88.3	Confident	57 Å²	57	69.2 Å²	69.2	27%	0.266	36%	0.356	S	S	.	.	H	α-helix	trans	-66.7	-32.9	170.7	-76.4	-168.3	175.5	0	0	112.9	V282 K286 V894 K896 K902	V282-E898 HydrophobicContact CG1-CG 4.17Å; V282-E898 HydrophobicContact CG2-CG 4.18Å; K286-E898 WeakPolarHBondContact CE-OE1 3.41Å; K286-E898 IonicContact NZ-OE1 2.91Å; K286-E898 PolarHBondContact NZ-OE1 2.65Å; V894-E898 HydrophobicContact CG1-CG 4.3Å; V894-E898 WeakPolarHBondContact O-CB 3.17Å; V894-E898 WeakPolarHBondContact O-CG 3.45Å; V894-E898 PolarHBondContact O-N 2.9Å; K896-E898 VanDerWaalsContact C-N 3.35Å; K896-E898 PolarHBondContact O-N 3.31Å; E898-K902 WeakPolarHBondContact O-CG 3.38Å; E898-K902 PolarHBondContact O-N 3.4Å; E898-K902 VanDerWaalsContact O-N 3.11Å
899	A	90.8	Very high	88.3	Confident	56 Å²	56	70.2 Å²	70.2	46%	0.463	36%	0.358	S	S	.	.	H	α-helix	trans	-66.6	-43.6	172.1	0	0	0	0	0	111.7	D895 K896 T897 I901 K902 E903	D895-A899 PolarHBondContact O-N 2.78Å; K896-A899 WeakPolarHBondContact O-CB 3.31Å; K896-A899 PolarHBondContact O-N 2.67Å; K896-A899 VanDerWaalsContact O-N 3.15Å; T897-A899 VanDerWaalsContact C-N 3.33Å; A899-I901 VanDerWaalsContact C-N 3.35Å; A899-I901 PolarHBondContact O-N 3.33Å; A899-K902 WeakPolarHBondContact O-CB 3.15Å; A899-K902 PolarHBondContact O-N 3.14Å; A899-K902 VanDerWaalsContact O-N 3.17Å; A899-E903 PolarHBondContact O-N 3.31Å
900	E	90.3	Very high	88.3	Confident	92 Å²	92	73.1 Å²	73.1	43%	0.43	36%	0.36	S	S	.	.	H	α-helix	trans	-59.7	-43	173.9	-69.4	173	-176.6	0	0	111.7	L278 K896 T897 K902 E903 H904	L278-E900 HydrophobicContact CD1-CB 4.21Å; K896-E900 PolarHBondContact O-N 3.05Å; T897-E900 PolarHBondContact O-N 2.94Å; E900-K902 VanDerWaalsContact C-N 3.32Å; E900-K902 PolarHBondContact O-N 3.19Å; E900-E903 PolarHBondContact O-N 3.25Å; E900-E903 VanDerWaalsContact O-N 3.16Å; E900-H904 PolarHBondContact O-CD2 3.04Å; E900-H904 VanDerWaalsContact O-CD2 3.23Å; E900-H904 PolarHBondContact O-N 3.04Å
901	I	88.1	Confident	88.5	Confident	15 Å²	15	75.8 Å²	75.8	8%	0.077	37%	0.369	C	S	.	.	H	α-helix	trans	-58.4	-44.7	174.7	-70.8	166.2	0	0	0	110.8	V275 L278 K279 V282 T897 A899 E903 H904 I905	V275-I901 HydrophobicContact CG1-CG2 4.4Å; L278-I901 HydrophobicContact CB-CD1 3.87Å; L278-I901 HydrophobicContact CB-CG1 3.47Å; L278-I901 VanDerWaalsContact CB-CG1 3.47Å; L278-I901 HydrophobicContact CD1-CG1 4.05Å; L278-I901 HydrophobicContact CG-CG1 4.4Å; K279-I901 HydrophobicContact CG-CD1 3.97Å; V282-I901 HydrophobicContact CG2-CD1 3.79Å; T897-I901 VanDerWaalsContact O-CG1 3.29Å; T897-I901 WeakPolarHBondContact O-CG1 3.01Å; T897-I901 PolarHBondContact O-N 3.42Å; A899-I901 VanDerWaalsContact C-N 3.35Å; A899-I901 PolarHBondContact O-N 3.33Å; I901-E903 VanDerWaalsContact C-N 3.29Å; I901-E903 PolarHBondContact O-N 3Å; I901-H904 PolarHBondContact O-N 3.36Å; I901-I905 HydrophobicContact CG2-CD1 3.66Å; I901-I905 HydrophobicContact CG2-CG1 4.32Å; I901-I905 WeakPolarHBondContact O-CB 3.47Å; I901-I905 VanDerWaalsContact O-CG1 3.24Å; I901-I905 WeakPolarHBondContact O-CG1 3.49Å; I901-I905 PolarHBondContact O-N 3.37Å
902	K	89	Confident	88.4	Confident	132 Å²	132	77.8 Å²	77.8	57%	0.574	38%	0.375	S	S	*	.	H	α-helix	trans	-63	-37	178	-74.3	171.7	-173.8	166.3	0	111.8	E898 A899 E900 K906	E898-K902 WeakPolarHBondContact O-CG 3.38Å; E898-K902 PolarHBondContact O-N 3.4Å; E898-K902 VanDerWaalsContact O-N 3.11Å; A899-K902 WeakPolarHBondContact O-CB 3.15Å; A899-K902 PolarHBondContact O-N 3.14Å; A899-K902 VanDerWaalsContact O-N 3.17Å; E900-K902 VanDerWaalsContact C-N 3.32Å; E900-K902 PolarHBondContact O-N 3.19Å; K902-K906 WeakPolarHBondContact O-CG 3.47Å; K902-K906 PolarHBondContact O-N 3.37Å; K902-K906 VanDerWaalsContact O-N 3.12Å
903	E	90.6	Very high	88.2	Confident	142 Å²	142	80.9 Å²	80.9	66%	0.664	38%	0.384	S	S	*	.	H	α-helix	trans	-67.8	-45.6	176.5	-171.5	167.1	-167.8	0	0	111.9	A899 E900 I901 I905 K906 S907	A899-E903 PolarHBondContact O-N 3.31Å; E900-E903 PolarHBondContact O-N 3.25Å; E900-E903 VanDerWaalsContact O-N 3.16Å; I901-E903 VanDerWaalsContact C-N 3.29Å; I901-E903 PolarHBondContact O-N 3Å; E903-I905 VanDerWaalsContact C-N 3.35Å; E903-I905 PolarHBondContact O-N 3.42Å; E903-K906 WeakPolarHBondContact O-CB 3.38Å; E903-K906 PolarHBondContact O-N 2.96Å; E903-S907 PolarHBondContact O-N 2.87Å
904	H	89.1	Confident	88.1	Confident	65 Å²	65	79.7 Å²	79.7	30%	0.301	38%	0.378	S	S	.	.	H	α-helix	trans	-64.8	-36.3	176	-76.2	-65.3	0	0	0	112.8	V275 E900 I901 S907 M908	V275-H904 HydrophobicContact CG2-CB 3.61Å; E900-H904 PolarHBondContact O-CD2 3.04Å; E900-H904 VanDerWaalsContact O-CD2 3.23Å; E900-H904 PolarHBondContact O-N 3.04Å; I901-H904 PolarHBondContact O-N 3.36Å; H904-S907 WeakPolarHBondContact CA-OG 3.31Å; H904-S907 PolarHBondContact O-N 3.06Å; H904-S907 PolarHBondContact O-OG 3.19Å; H904-M908 PolarHBondContact O-N 3.3Å
905	I	86.6	Confident	87.8	Confident	56 Å²	56	81.8 Å²	81.8	29%	0.287	39%	0.387	S	S	.	.	H	α-helix	trans	-62.2	-44	172.9	-71.2	168.2	0	0	0	111	V275 I901 E903 S907 M908 E909	V275-I905 HydrophobicContact CG1-CG1 4.32Å; V275-I905 HydrophobicContact CG2-CG1 4.25Å; I901-I905 HydrophobicContact CG2-CD1 3.66Å; I901-I905 HydrophobicContact CG2-CG1 4.32Å; I901-I905 WeakPolarHBondContact O-CB 3.47Å; I901-I905 VanDerWaalsContact O-CG1 3.24Å; I901-I905 WeakPolarHBondContact O-CG1 3.49Å; I901-I905 PolarHBondContact O-N 3.37Å; E903-I905 VanDerWaalsContact C-N 3.35Å; E903-I905 PolarHBondContact O-N 3.42Å; I905-S907 VanDerWaalsContact C-N 3.28Å; I905-S907 PolarHBondContact O-N 3.37Å; I905-M908 WeakPolarHBondContact O-CB 3.48Å; I905-M908 PolarHBondContact O-N 3.31Å; I905-E909 PolarHBondContact O-N 2.99Å
906	K	90	Very high	87.6	Confident	131 Å²	131	82.9 Å²	82.9	57%	0.57	39%	0.387	S	S	*	.	H	α-helix	trans	-60.8	-39.2	174.1	-73.6	174.8	-178.6	177.5	0	111.8	K902 E903 E909 R910	K902-K906 WeakPolarHBondContact O-CG 3.47Å; K902-K906 PolarHBondContact O-N 3.37Å; K902-K906 VanDerWaalsContact O-N 3.12Å; E903-K906 WeakPolarHBondContact O-CB 3.38Å; E903-K906 PolarHBondContact O-N 2.96Å; K906-E909 PolarHBondContact O-N 3.09Å; K906-R910 WeakPolarHBondContact O-CG 3.49Å; K906-R910 PolarHBondContact O-N 3.04Å; K906-R910 VanDerWaalsContact O-N 3.13Å
907	S	88.3	Confident	87.3	Confident	29 Å²	29	82.2 Å²	82.2	20%	0.203	39%	0.386	C	S	.	.	H	α-helix	trans	-65.1	-39.9	176.3	80.3	0	0	0	0	111.9	E903 H904 I905 R910 W911	E903-S907 PolarHBondContact O-N 2.87Å; H904-S907 WeakPolarHBondContact CA-OG 3.31Å; H904-S907 PolarHBondContact O-N 3.06Å; H904-S907 PolarHBondContact O-OG 3.19Å; I905-S907 VanDerWaalsContact C-N 3.28Å; I905-S907 PolarHBondContact O-N 3.37Å; S907-R910 WeakPolarHBondContact O-CB 3.44Å; S907-R910 PolarHBondContact O-N 3.18Å; S907-W911 PolarHBondContact O-N 3.48Å; S907-W911 VanDerWaalsContact O-N 3.07Å
908	M	86.6	Confident	87.2	Confident	19 Å²	19	83.6 Å²	83.6	9%	0.094	39%	0.391	C	S	.	.	H	α-helix	trans	-64.7	-42.7	176.2	-179.3	-165.6	-75.3	0	0	111.6	V268 E272 V275 H904 I905 R910 W911 K912	V268-M908 HydrophobicContact CG1-CG 4.34Å; E272-M908 HydrophobicContact CB-CE 3.56Å; E272-M908 HydrophobicContact CG-CE 3.85Å; V275-M908 HydrophobicContact CG2-CE 4.49Å; H904-M908 PolarHBondContact O-N 3.3Å; I905-M908 WeakPolarHBondContact O-CB 3.48Å; I905-M908 PolarHBondContact O-N 3.31Å; M908-R910 VanDerWaalsContact C-N 3.3Å; M908-R910 PolarHBondContact O-N 3.3Å; M908-W911 PolarHBondContact O-N 3.05Å; M908-K912 HydrophobicContact CG-CD 4.29Å; M908-K912 WeakPolarHBondContact O-CB 3.45Å; M908-K912 WeakPolarHBondContact O-CG 3.4Å; M908-K912 PolarHBondContact O-N 2.73Å
909	E	86	Confident	86.9	Confident	114 Å²	114	84 Å²	84	53%	0.533	40%	0.396	S	S	.	.	H	α-helix	trans	-61.4	-39.1	175.5	-75.2	176.8	172.3	0	0	111.9	I905 K906 K912 N913	I905-E909 PolarHBondContact O-N 2.99Å; K906-E909 PolarHBondContact O-N 3.09Å; E909-K912 PolarHBondContact O-N 3.23Å; E909-N913 WeakPolarHBondContact O-CB 3.44Å; E909-N913 VanDerWaalsContact O-CG 3.25Å; E909-N913 PolarHBondContact O-N 3.41Å; E909-N913 PolarHBondContact O-ND2 3.46Å
910	R	88.8	Confident	86.5	Confident	174 Å²	174	85.6 Å²	85.6	66%	0.657	40%	0.396	S	S	*	.	H	α-helix	trans	-61	-48.4	173.7	-70	171.8	-175.6	175.9	1.5	111.5	K906 S907 M908 N913 I914	K906-R910 WeakPolarHBondContact O-CG 3.49Å; K906-R910 PolarHBondContact O-N 3.04Å; K906-R910 VanDerWaalsContact O-N 3.13Å; S907-R910 WeakPolarHBondContact O-CB 3.44Å; S907-R910 PolarHBondContact O-N 3.18Å; M908-R910 VanDerWaalsContact C-N 3.3Å; M908-R910 PolarHBondContact O-N 3.3Å; R910-N913 PolarHBondContact O-N 3.01Å; R910-I914 WeakPolarHBondContact O-CG1 3.27Å; R910-I914 PolarHBondContact O-N 2.7Å
911	W	88.4	Confident	86.1	Confident	74 Å²	74	83 Å²	83	28%	0.28	39%	0.39	S	S	.	.	H	α-helix	trans	-66.7	-36.3	179.2	-72.2	115.3	0	0	0	112.9	A264 K267 V268 S907 M908 N913 I914 E915	A264-W911 HydrophobicContact CB-CE3 4.28Å; K267-W911 HydrophobicContact CB-CD2 3.97Å; K267-W911 HydrophobicContact CB-CE3 4.39Å; K267-W911 HydrophobicContact CB-CG 4.12Å; K267-W911 HydrophobicContact CD-CD2 3.9Å; K267-W911 HydrophobicContact CD-CE3 3.92Å; K267-W911 HydrophobicContact CD-CH2 3.45Å; K267-W911 VanDerWaalsContact CD-CH2 3.45Å; K267-W911 HydrophobicContact CD-CZ2 3.36Å; K267-W911 HydrophobicContact CD-CZ3 3.71Å; V268-W911 HydrophobicContact CG2-CB 3.61Å; S907-W911 PolarHBondContact O-N 3.48Å; S907-W911 VanDerWaalsContact O-N 3.07Å; M908-W911 PolarHBondContact O-N 3.05Å; W911-N913 VanDerWaalsContact C-N 3.34Å; W911-N913 PolarHBondContact O-N 2.96Å; W911-I914 HydrophobicContact CD2-CD1 4.37Å; W911-I914 HydrophobicContact CE3-CD1 3.76Å; W911-I914 HydrophobicContact CZ3-CD1 3.85Å; W911-I914 PolarHBondContact O-N 3.26Å; W911-E915 WeakPolarHBondContact O-CB 3.24Å; W911-E915 PolarHBondContact O-N 2.66Å
912	K	83.6	Confident	85.8	Confident	90 Å²	90	83 Å²	83	39%	0.391	39%	0.391	S	S	.	.	H	α-helix	trans	-64.4	-36.5	172.2	-78.6	-178.9	175.4	172.2	0	112.9	V268 M908 E909 E915 K916	V268-K912 HydrophobicContact CG1-CG 4.16Å; V268-K912 HydrophobicContact CG2-CG 3.93Å; M908-K912 HydrophobicContact CG-CD 4.29Å; M908-K912 WeakPolarHBondContact O-CB 3.45Å; M908-K912 WeakPolarHBondContact O-CG 3.4Å; M908-K912 PolarHBondContact O-N 2.73Å; E909-K912 PolarHBondContact O-N 3.23Å; K912-E915 PolarHBondContact O-N 3.08Å; K912-K916 WeakPolarHBondContact O-CB 3.34Å; K912-K916 PolarHBondContact O-N 3.39Å
913	N	86.4	Confident	85.3	Confident	96 Å²	96	79.9 Å²	79.9	51%	0.513	38%	0.38	S	S	.	.	H	α-helix	trans	-67.3	-42.5	174.1	-72.7	-18.7	0	0	0	111.2	E909 R910 W911 K916 E917	E909-N913 WeakPolarHBondContact O-CB 3.44Å; E909-N913 VanDerWaalsContact O-CG 3.25Å; E909-N913 PolarHBondContact O-N 3.41Å; E909-N913 PolarHBondContact O-ND2 3.46Å; R910-N913 PolarHBondContact O-N 3.01Å; W911-N913 VanDerWaalsContact C-N 3.34Å; W911-N913 PolarHBondContact O-N 2.96Å; N913-K916 PolarHBondContact O-N 3.18Å; N913-E917 WeakPolarHBondContact O-CG 3.47Å; N913-E917 PolarHBondContact O-N 3.24Å
914	I	86.4	Confident	84.9	Confident	60 Å²	60	78.5 Å²	78.5	31%	0.308	37%	0.373	S	S	.	.	H	α-helix	trans	-61	-46.2	174.3	-65.9	165	0	0	0	110.3	A264 R910 W911 K916 E917 Q918	A264-I914 HydrophobicContact CB-CG2 4.16Å; R910-I914 WeakPolarHBondContact O-CG1 3.27Å; R910-I914 PolarHBondContact O-N 2.7Å; W911-I914 HydrophobicContact CD2-CD1 4.37Å; W911-I914 HydrophobicContact CE3-CD1 3.76Å; W911-I914 HydrophobicContact CZ3-CD1 3.85Å; W911-I914 PolarHBondContact O-N 3.26Å; I914-K916 VanDerWaalsContact C-N 3.29Å; I914-K916 PolarHBondContact O-N 2.88Å; I914-E917 PolarHBondContact O-N 3.2Å; I914-Q918 HydrophobicContact CG2-CG 4.39Å; I914-Q918 VanDerWaalsContact O-CG 3.32Å; I914-Q918 WeakPolarHBondContact O-CG 3.37Å; I914-Q918 PolarHBondContact O-N 2.94Å
915	E	81.9	Confident	84.4	Confident	51 Å²	51	76.4 Å²	76.4	24%	0.238	36%	0.364	C	S	.	.	H	α-helix	trans	-56.8	-43.8	175.6	-175.9	-172.4	-170.1	0	0	111.3	A264 W911 K912 Q918 N919	A264-E915 HydrophobicContact CB-CB 4.3Å; W911-E915 WeakPolarHBondContact O-CB 3.24Å; W911-E915 PolarHBondContact O-N 2.66Å; K912-E915 PolarHBondContact O-N 3.08Å; E915-Q918 PolarHBondContact O-N 3.29Å; E915-N919 VanDerWaalsContact O-CB 3.28Å; E915-N919 WeakPolarHBondContact O-CB 3.4Å; E915-N919 PolarHBondContact O-N 3.48Å
916	K	84.3	Confident	84	Confident	130 Å²	130	75.9 Å²	75.9	57%	0.565	36%	0.364	S	S	*	.	H	α-helix	trans	-65.8	-43.8	178	-171.6	-179.6	176.8	-174.3	0	112.3	K912 N913 I914 N919 D920	K912-K916 WeakPolarHBondContact O-CB 3.34Å; K912-K916 PolarHBondContact O-N 3.39Å; N913-K916 PolarHBondContact O-N 3.18Å; I914-K916 VanDerWaalsContact C-N 3.29Å; I914-K916 PolarHBondContact O-N 2.88Å; K916-N919 PolarHBondContact O-N 2.86Å; K916-D920 WeakPolarHBondContact O-CB 3.48Å; K916-D920 PolarHBondContact O-N 2.9Å
917	E	85.1	Confident	83.5	Confident	126 Å²	126	75.4 Å²	75.4	59%	0.589	36%	0.362	S	S	*	.	H	α-helix	trans	-60.8	-44	175.9	-75.7	174.9	-174.1	0	0	111.6	N913 I914 N919 D920 A921	N913-E917 WeakPolarHBondContact O-CG 3.47Å; N913-E917 PolarHBondContact O-N 3.24Å; I914-E917 PolarHBondContact O-N 3.2Å; E917-N919 VanDerWaalsContact C-N 3.34Å; E917-D920 PolarHBondContact O-N 3.34Å; E917-A921 WeakPolarHBondContact O-CB 3.49Å; E917-A921 PolarHBondContact O-N 3.43Å
918	Q	83.9	Confident	83	Confident	46 Å²	46	77 Å²	77	22%	0.215	37%	0.366	C	S	.	.	H	α-helix	trans	-65.2	-39.3	175.3	-63.6	-54.7	-30.6	0	0	111.4	Q261 I914 E915 A921 I922	Q261-Q918 HydrophobicContact CB-CB 4.41Å; I914-Q918 HydrophobicContact CG2-CG 4.39Å; I914-Q918 VanDerWaalsContact O-CG 3.32Å; I914-Q918 WeakPolarHBondContact O-CG 3.37Å; I914-Q918 PolarHBondContact O-N 2.94Å; E915-Q918 PolarHBondContact O-N 3.29Å; Q918-A921 PolarHBondContact O-N 3.43Å; Q918-I922 WeakPolarHBondContact O-CB 3.45Å; Q918-I922 VanDerWaalsContact O-CG1 3.22Å; Q918-I922 WeakPolarHBondContact O-CG1 3.46Å; Q918-I922 PolarHBondContact O-N 2.69Å
919	N	81.5	Confident	82.4	Confident	67 Å²	67	77.9 Å²	77.9	36%	0.358	37%	0.371	S	S	.	.	H	α-helix	trans	-66.6	-38.9	176.7	-162.8	20.2	0	0	0	112.1	E915 K916 E917 I922 N923	E915-N919 VanDerWaalsContact O-CB 3.28Å; E915-N919 WeakPolarHBondContact O-CB 3.4Å; E915-N919 PolarHBondContact O-N 3.48Å; K916-N919 PolarHBondContact O-N 2.86Å; E917-N919 VanDerWaalsContact C-N 3.34Å; N919-I922 PolarHBondContact O-N 2.85Å; N919-N923 WeakPolarHBondContact O-CB 3.45Å; N919-N923 PolarHBondContact O-N 3.36Å; N919-N923 PolarHBondContact O-ND2 3.31Å; N919-N923 VanDerWaalsContact O-ND2 3.08Å
920	D	82.1	Confident	82	Confident	89 Å²	89	77.8 Å²	77.8	48%	0.476	37%	0.371	S	S	.	.	H	α-helix	trans	-66.8	-37.5	173.8	-73.6	-24	0	0	0	111.4	K916 E917 N923 H924	K916-D920 WeakPolarHBondContact O-CB 3.48Å; K916-D920 PolarHBondContact O-N 2.9Å; E917-D920 PolarHBondContact O-N 3.34Å; D920-N923 PolarHBondContact O-N 2.73Å; D920-H924 WeakPolarHBondContact O-CB 3.35Å; D920-H924 PolarHBondContact O-N 3.28Å
921	A	81.8	Confident	81.6	Confident	37 Å²	37	75.1 Å²	75.1	31%	0.306	36%	0.364	S	S	.	.	H	α-helix	trans	-65.4	-42.6	172.8	0	0	0	0	0	112.1	L257 E917 Q918 N923 H924 D925	L257-A921 HydrophobicContact CD1-CB 4.4Å; L257-A921 HydrophobicContact CD2-CB 4.21Å; E917-A921 WeakPolarHBondContact O-CB 3.49Å; E917-A921 PolarHBondContact O-N 3.43Å; Q918-A921 PolarHBondContact O-N 3.43Å; A921-N923 VanDerWaalsContact C-N 3.34Å; A921-H924 PolarHBondContact O-N 3.05Å; A921-D925 WeakPolarHBondContact O-CB 3.44Å; A921-D925 PolarHBondContact O-N 3.37Å
922	I	80.8	Confident	80.9	Confident	16 Å²	16	73.4 Å²	73.4	8%	0.082	36%	0.359	C	S	.	.	H	α-helix	trans	-61.3	-44.1	172.9	-69.8	164.8	0	0	0	110.1	L257 R258 Q261 Q918 N919 H924 D925 T926	L257-I922 HydrophobicContact CB-CD1 4.37Å; L257-I922 HydrophobicContact CB-CG1 3.79Å; L257-I922 HydrophobicContact CD1-CG1 4.49Å; R258-I922 HydrophobicContact CG-CD1 4.4Å; Q261-I922 HydrophobicContact CB-CD1 4.2Å; Q261-I922 HydrophobicContact CG-CD1 4.49Å; Q261-I922 VanDerWaalsContact OE1-CD1 3.31Å; Q918-I922 WeakPolarHBondContact O-CB 3.45Å; Q918-I922 VanDerWaalsContact O-CG1 3.22Å; Q918-I922 WeakPolarHBondContact O-CG1 3.46Å; Q918-I922 PolarHBondContact O-N 2.69Å; N919-I922 PolarHBondContact O-N 2.85Å; I922-H924 VanDerWaalsContact C-N 3.29Å; I922-H924 PolarHBondContact O-N 2.67Å; I922-D925 PolarHBondContact O-N 2.78Å; I922-T926 HydrophobicContact CG2-CG2 4.17Å; I922-T926 WeakPolarHBondContact O-CB 3.49Å; I922-T926 WeakPolarHBondContact O-CG2 3.12Å; I922-T926 PolarHBondContact O-N 3.04Å; I922-T926 PolarHBondContact O-OG1 2.88Å; I922-T926 VanDerWaalsContact O-OG1 3.14Å
923	N	79.7	Confident	80.5	Confident	65 Å²	65	71.5 Å²	71.5	35%	0.348	36%	0.355	S	S	.	.	H	α-helix	trans	-66	-30.3	176.9	-74.3	-35.4	0	0	0	113	N919 D920 A921 T926 K927	N919-N923 WeakPolarHBondContact O-CB 3.45Å; N919-N923 PolarHBondContact O-N 3.36Å; N919-N923 PolarHBondContact O-ND2 3.31Å; N919-N923 VanDerWaalsContact O-ND2 3.08Å; D920-N923 PolarHBondContact O-N 2.73Å; A921-N923 VanDerWaalsContact C-N 3.34Å; N923-T926 VanDerWaalsContact CA-OG1 3.26Å; N923-T926 WeakPolarHBondContact CA-OG1 3.19Å; N923-T926 PolarHBondContact O-OG1 2.83Å; N923-K927 WeakPolarHBondContact O-CB 3.31Å; N923-K927 WeakPolarHBondContact O-CD 3.21Å; N923-K927 WeakPolarHBondContact O-CG 3.5Å; N923-K927 PolarHBondContact O-N 2.93Å; N923-K927 VanDerWaalsContact O-N 3.15Å
924	H	81.4	Confident	80	Confident	114 Å²	114	72.2 Å²	72.2	53%	0.528	36%	0.359	S	S	.	.	H	α-helix	trans	-72.3	-46.1	173.2	-175.2	74.1	0	0	0	111.1	D920 A921 I922 K927 E928	D920-H924 WeakPolarHBondContact O-CB 3.35Å; D920-H924 PolarHBondContact O-N 3.28Å; A921-H924 PolarHBondContact O-N 3.05Å; I922-H924 VanDerWaalsContact C-N 3.29Å; I922-H924 PolarHBondContact O-N 2.67Å; H924-K927 CarbonylContact O-C 2.9Å; H924-K927 WeakPolarHBondContact O-CB 3.19Å; H924-K927 PolarHBondContact O-N 2.83Å; H924-E928 WeakPolarHBondContact O-CG 3.21Å; H924-E928 PolarHBondContact O-N 2.97Å
925	D	78.6	Confident	79.6	Confident	20 Å²	20	77.6 Å²	77.6	11%	0.107	38%	0.376	C	S	.	.	H	α-helix	trans	-66.4	-37.1	178.5	-165.1	45.9	0	0	0	111.6	A921 I922 E928 L929	A921-D925 WeakPolarHBondContact O-CB 3.44Å; A921-D925 PolarHBondContact O-N 3.37Å; I922-D925 PolarHBondContact O-N 2.78Å; D925-E928 PolarHBondContact O-N 3.18Å; D925-L929 WeakPolarHBondContact O-CB 3.38Å; D925-L929 WeakPolarHBondContact O-CG 3.47Å; D925-L929 PolarHBondContact O-N 3.29Å
926	T	77.9	Confident	79.4	Confident	46 Å²	46	77.2 Å²	77.2	28%	0.282	37%	0.374	S	S	.	.	H	α-helix	trans	-64.6	-40.2	171.5	59.6	0	0	0	0	111.4	I922 N923 L929 E930	I922-T926 HydrophobicContact CG2-CG2 4.17Å; I922-T926 WeakPolarHBondContact O-CB 3.49Å; I922-T926 WeakPolarHBondContact O-CG2 3.12Å; I922-T926 PolarHBondContact O-N 3.04Å; I922-T926 PolarHBondContact O-OG1 2.88Å; I922-T926 VanDerWaalsContact O-OG1 3.14Å; N923-T926 VanDerWaalsContact CA-OG1 3.26Å; N923-T926 WeakPolarHBondContact CA-OG1 3.19Å; N923-T926 PolarHBondContact O-OG1 2.83Å; T926-L929 CarbonylContact O-C 3.53Å; T926-L929 PolarHBondContact O-N 3.16Å; T926-E930 WeakPolarHBondContact O-CB 3.2Å; T926-E930 VanDerWaalsContact O-CG 3.32Å; T926-E930 WeakPolarHBondContact O-CG 3.46Å; T926-E930 PolarHBondContact O-N 2.86Å
927	K	80.4	Confident	79.1	Confident	121 Å²	121	72.2 Å²	72.2	53%	0.526	36%	0.359	S	S	.	.	H	α-helix	trans	-64.9	-37.1	172.4	-77.6	170.8	-174.6	172.9	0	112.4	N923 H924 E930 K931	N923-K927 WeakPolarHBondContact O-CB 3.31Å; N923-K927 WeakPolarHBondContact O-CD 3.21Å; N923-K927 WeakPolarHBondContact O-CG 3.5Å; N923-K927 PolarHBondContact O-N 2.93Å; N923-K927 VanDerWaalsContact O-N 3.15Å; H924-K927 CarbonylContact O-C 2.9Å; H924-K927 WeakPolarHBondContact O-CB 3.19Å; H924-K927 PolarHBondContact O-N 2.83Å; K927-E930 PolarHBondContact O-N 3.09Å; K927-K931 WeakPolarHBondContact O-CB 3.31Å; K927-K931 VanDerWaalsContact O-CG 3.23Å; K927-K931 WeakPolarHBondContact O-CG 3.49Å; K927-K931 PolarHBondContact O-N 3.28Å
928	E	76.9	Confident	78.7	Confident	62 Å²	62	70.6 Å²	70.6	29%	0.29	35%	0.353	S	S	.	.	H	α-helix	trans	-69.4	-40.1	175	-73.7	-59.7	130.3	0	0	111.4	H924 D925 K931 M932	H924-E928 WeakPolarHBondContact O-CG 3.21Å; H924-E928 PolarHBondContact O-N 2.97Å; D925-E928 PolarHBondContact O-N 3.18Å; E928-K931 CarbonylContact O-C 3.34Å; E928-K931 PolarHBondContact O-N 3.27Å; E928-K931 WeakPolarHBondContact OE1-CD 3.49Å; E928-K931 IonicContact OE1-NZ 2.62Å; E928-K931 PolarHBondContact OE1-NZ 3.49Å; E928-M932 WeakPolarHBondContact O-CB 2.96Å; E928-M932 WeakPolarHBondContact O-CG 3.48Å; E928-M932 PolarHBondContact O-N 3.33Å
929	L	74.9	Confident	78.4	Confident	38 Å²	38	69.5 Å²	69.5	20%	0.199	35%	0.348	C	S	.	.	H	α-helix	trans	-64.3	-38.8	170.8	-76.4	170.7	0	0	0	111.8	C250 D925 T926 M932 T933	C250-L929 HydrophobicContact CB-CD2 3.88Å; D925-L929 WeakPolarHBondContact O-CB 3.38Å; D925-L929 WeakPolarHBondContact O-CG 3.47Å; D925-L929 PolarHBondContact O-N 3.29Å; T926-L929 CarbonylContact O-C 3.53Å; T926-L929 PolarHBondContact O-N 3.16Å; L929-M932 HydrophobicContact CD2-CE 4.4Å; L929-M932 PolarHBondContact O-N 3.14Å; L929-T933 WeakPolarHBondContact O-CB 3.49Å; L929-T933 WeakPolarHBondContact O-CG2 3.31Å; L929-T933 PolarHBondContact O-N 3.32Å; L929-T933 PolarHBondContact O-OG1 3.37Å
930	E	76.8	Confident	78.2	Confident	112 Å²	112	70.1 Å²	70.1	52%	0.523	35%	0.351	S	S	.	.	H	α-helix	trans	-64.1	-44.1	171.3	-81.1	-179.9	179.4	0	0	110.8	T926 K927 M932 T933 N934	T926-E930 WeakPolarHBondContact O-CB 3.2Å; T926-E930 VanDerWaalsContact O-CG 3.32Å; T926-E930 WeakPolarHBondContact O-CG 3.46Å; T926-E930 PolarHBondContact O-N 2.86Å; K927-E930 PolarHBondContact O-N 3.09Å; E930-M932 VanDerWaalsContact C-N 3.32Å; E930-M932 PolarHBondContact O-N 3.04Å; E930-T933 VanDerWaalsContact CA-OG1 3.25Å; E930-T933 WeakPolarHBondContact CA-OG1 3.38Å; E930-T933 PolarHBondContact O-N 3.33Å; E930-T933 PolarHBondContact O-OG1 2.89Å; E930-N934 WeakPolarHBondContact O-CA 3.45Å; E930-N934 WeakPolarHBondContact O-CB 3.32Å; E930-N934 PolarHBondContact O-N 3.35Å; E930-N934 PolarHBondContact O-ND2 3.43Å
931	K	79.8	Confident	78	Confident	118 Å²	118	71.8 Å²	71.8	51%	0.513	35%	0.354	S	S	.	.	H	α-helix	trans	-62.1	-40.4	173.7	-74.4	170.9	-167.3	172.4	0	111.3	K927 E928 R935	K927-K931 WeakPolarHBondContact O-CB 3.31Å; K927-K931 VanDerWaalsContact O-CG 3.23Å; K927-K931 WeakPolarHBondContact O-CG 3.49Å; K927-K931 PolarHBondContact O-N 3.28Å; E928-K931 CarbonylContact O-C 3.34Å; E928-K931 PolarHBondContact O-N 3.27Å; E928-K931 WeakPolarHBondContact OE1-CD 3.49Å; E928-K931 IonicContact OE1-NZ 2.62Å; E928-K931 PolarHBondContact OE1-NZ 3.49Å; K931-R935 WeakPolarHBondContact O-CB 3.4Å; K931-R935 PolarHBondContact O-N 3.06Å
932	M	75.4	Confident	77.7	Confident	37 Å²	37	74.6 Å²	74.6	18%	0.182	36%	0.36	C	S	.	.	H	α-helix	trans	-70.5	-42.7	178.1	-77.4	-164.7	-90.9	0	0	111.8	L243 C250 E928 L929 E930 R935 Q936	L243-M932 WeakPolarHBondContact CD2-O 3.36Å; C250-M932 HydrophobicContact CB-CE 4.41Å; E928-M932 WeakPolarHBondContact O-CB 2.96Å; E928-M932 WeakPolarHBondContact O-CG 3.48Å; E928-M932 PolarHBondContact O-N 3.33Å; L929-M932 HydrophobicContact CD2-CE 4.4Å; L929-M932 PolarHBondContact O-N 3.14Å; E930-M932 VanDerWaalsContact C-N 3.32Å; E930-M932 PolarHBondContact O-N 3.04Å; M932-R935 CarbonylContact O-C 3.57Å; M932-R935 PolarHBondContact O-N 3.16Å; M932-Q936 VanDerWaalsContact O-CB 3.32Å; M932-Q936 WeakPolarHBondContact O-CB 3.32Å; M932-Q936 PolarHBondContact O-N 2.89Å
933	T	74.4	Confident	77.6	Confident	50 Å²	50	76.6 Å²	76.6	31%	0.307	37%	0.367	S	S	.	.	H	α-helix	trans	-68.4	-35.4	173.7	50.2	0	0	0	0	111.9	L929 E930 Q936 G937	L929-T933 WeakPolarHBondContact O-CB 3.49Å; L929-T933 WeakPolarHBondContact O-CG2 3.31Å; L929-T933 PolarHBondContact O-N 3.32Å; L929-T933 PolarHBondContact O-OG1 3.37Å; E930-T933 VanDerWaalsContact CA-OG1 3.25Å; E930-T933 WeakPolarHBondContact CA-OG1 3.38Å; E930-T933 PolarHBondContact O-N 3.33Å; E930-T933 PolarHBondContact O-OG1 2.89Å; T933-Q936 PolarHBondContact O-N 3.39Å; T933-G937 WeakPolarHBondContact O-CA 3.34Å; T933-G937 PolarHBondContact O-N 3.42Å
934	N	76.9	Confident	77.4	Confident	112 Å²	112	78.8 Å²	78.8	60%	0.599	38%	0.376	S	S	*	.	H	α-helix	trans	-67	-36.9	170.1	-74.1	-34	0	0	0	111.2	E930 G937 M938	E930-N934 WeakPolarHBondContact O-CA 3.45Å; E930-N934 WeakPolarHBondContact O-CB 3.32Å; E930-N934 PolarHBondContact O-N 3.35Å; E930-N934 PolarHBondContact O-ND2 3.43Å; N934-G937 CarbonylContact O-C 3.58Å; N934-M938 WeakPolarHBondContact O-CA 3.47Å; N934-M938 WeakPolarHBondContact O-CB 3.44Å; N934-M938 PolarHBondContact O-N 3.01Å
935	R	77.9	Confident	77.1	Confident	173 Å²	173	77.3 Å²	77.3	65%	0.653	37%	0.369	S	S	*	.	H	α-helix	trans	-72.4	-36.7	175.3	-168	168.5	-172.4	154.5	0.2	111.4	K931 M932 M938 L939	K931-R935 WeakPolarHBondContact O-CB 3.4Å; K931-R935 PolarHBondContact O-N 3.06Å; M932-R935 CarbonylContact O-C 3.57Å; M932-R935 PolarHBondContact O-N 3.16Å; R935-M938 CarbonylContact O-C 3.42Å; R935-M938 PolarHBondContact O-N 3.4Å; R935-L939 HydrophobicContact CG-CD1 4.31Å; R935-L939 VanDerWaalsContact O-CB 3.28Å; R935-L939 WeakPolarHBondContact O-CB 3.44Å; R935-L939 WeakPolarHBondContact O-CG 3.44Å; R935-L939 PolarHBondContact O-N 2.96Å
936	Q	77.1	Confident	76.8	Confident	42 Å²	42	76.8 Å²	76.8	20%	0.196	37%	0.367	C	S	.	.	H	α-helix	trans	-64	-49.6	170.9	-164.3	178.8	0.6	0	0	109.8	L240 L243 R247 M932 T933 M938 L939 L940	L240-Q936 HydrophobicContact CD2-CG 3.99Å; L243-Q936 HydrophobicContact CD2-CB 3.45Å; L243-Q936 VanDerWaalsContact CD2-CB 3.45Å; L243-Q936 HydrophobicContact CD2-CG 3.94Å; R247-Q936 VanDerWaalsContact NH1-OE1 3.1Å; M932-Q936 VanDerWaalsContact O-CB 3.32Å; M932-Q936 WeakPolarHBondContact O-CB 3.32Å; M932-Q936 PolarHBondContact O-N 2.89Å; T933-Q936 PolarHBondContact O-N 3.39Å; Q936-M938 VanDerWaalsContact C-N 3.27Å; Q936-M938 PolarHBondContact O-N 3.15Å; Q936-L939 CarbonylContact O-C 3.32Å; Q936-L939 PolarHBondContact O-N 3.04Å; Q936-L939 VanDerWaalsContact O-N 3.15Å; Q936-L940 HydrophobicContact CG-CD1 4.22Å; Q936-L940 VanDerWaalsContact O-CB 3.29Å; Q936-L940 WeakPolarHBondContact O-CB 3.33Å; Q936-L940 VanDerWaalsContact O-CG 3.29Å; Q936-L940 WeakPolarHBondContact O-CG 3.25Å; Q936-L940 PolarHBondContact O-N 3.18Å
937	G	77.2	Confident	76.5	Confident	26 Å²	26	78.2 Å²	78.2	27%	0.268	37%	0.371	S	S	.	.	H	α-helix	trans	-59.9	-37.9	174	0	0	0	0	0	111.4	T933 N934 K941	T933-G937 WeakPolarHBondContact O-CA 3.34Å; T933-G937 PolarHBondContact O-N 3.42Å; N934-G937 CarbonylContact O-C 3.58Å; G937-K941 WeakPolarHBondContact O-CA 3.49Å; G937-K941 WeakPolarHBondContact O-CB 3.43Å; G937-K941 WeakPolarHBondContact O-CG 3.5Å; G937-K941 PolarHBondContact O-N 2.86Å
938	M	76.6	Confident	76.1	Confident	91 Å²	91	77.2 Å²	77.2	45%	0.448	37%	0.367	S	S	.	.	H	α-helix	trans	-71.2	-36.8	174.8	-170.2	67.3	-171.3	0	0	111.5	N934 R935 Q936 K942	N934-M938 WeakPolarHBondContact O-CA 3.47Å; N934-M938 WeakPolarHBondContact O-CB 3.44Å; N934-M938 PolarHBondContact O-N 3.01Å; R935-M938 CarbonylContact O-C 3.42Å; R935-M938 PolarHBondContact O-N 3.4Å; Q936-M938 VanDerWaalsContact C-N 3.27Å; Q936-M938 PolarHBondContact O-N 3.15Å; M938-K942 VanDerWaalsContact O-CB 3.23Å; M938-K942 WeakPolarHBondContact O-CB 3.03Å; M938-K942 WeakPolarHBondContact O-CG 3.18Å; M938-K942 PolarHBondContact O-N 2.88Å
939	L	78.1	Confident	75.8	Confident	23 Å²	23	77.9 Å²	77.9	12%	0.12	37%	0.369	C	S	.	.	H	α-helix	trans	-74.3	-34.6	176	-75	167.4	0	0	0	111.5	T236 L240 R935 Q936 K942 K943	T236-L939 HydrophobicContact CG2-CB 4.4Å; T236-L939 HydrophobicContact CG2-CD2 4.11Å; T236-L939 WeakPolarHBondContact CG2-O 3.39Å; L240-L939 HydrophobicContact CD2-CB 3.57Å; L240-L939 HydrophobicContact CD2-CD1 4.45Å; L240-L939 HydrophobicContact CG-CB 4.02Å; R935-L939 HydrophobicContact CG-CD1 4.31Å; R935-L939 VanDerWaalsContact O-CB 3.28Å; R935-L939 WeakPolarHBondContact O-CB 3.44Å; R935-L939 WeakPolarHBondContact O-CG 3.44Å; R935-L939 PolarHBondContact O-N 2.96Å; Q936-L939 CarbonylContact O-C 3.32Å; Q936-L939 PolarHBondContact O-N 3.04Å; Q936-L939 VanDerWaalsContact O-N 3.15Å; L939-K942 HydrophobicContact CD2-CD 4.46Å; L939-K942 CarbonylContact O-C 3.52Å; L939-K942 PolarHBondContact O-N 3.44Å; L939-K943 VanDerWaalsContact O-CB 3.28Å; L939-K943 WeakPolarHBondContact O-CB 3.34Å; L939-K943 PolarHBondContact O-N 3.13Å
940	L	78	Confident	75.5	Confident	80 Å²	80	77.6 Å²	77.6	42%	0.419	37%	0.367	S	S	.	.	H	α-helix	trans	-69.6	-43.9	171.8	-75.8	172.6	0	0	0	110.6	L240 Q936 K942 K943 E944	L240-L940 HydrophobicContact CD1-CD2 3.77Å; L240-L940 HydrophobicContact CD1-CG 4.36Å; L240-L940 HydrophobicContact CD2-CD2 4.13Å; L240-L940 HydrophobicContact CD2-CG 3.92Å; Q936-L940 HydrophobicContact CG-CD1 4.22Å; Q936-L940 VanDerWaalsContact O-CB 3.29Å; Q936-L940 WeakPolarHBondContact O-CB 3.33Å; Q936-L940 VanDerWaalsContact O-CG 3.29Å; Q936-L940 WeakPolarHBondContact O-CG 3.25Å; Q936-L940 PolarHBondContact O-N 3.18Å; L940-K942 VanDerWaalsContact C-N 3.34Å; L940-K943 WeakPolarHBondContact O-CB 2.9Å; L940-K943 PolarHBondContact O-N 3.14Å; L940-E944 VanDerWaalsContact O-CB 3.26Å; L940-E944 WeakPolarHBondContact O-CB 3.28Å; L940-E944 PolarHBondContact O-N 3.49Å
941	K	76.9	Confident	75.2	Confident	125 Å²	125	80.1 Å²	80.1	54%	0.543	37%	0.372	S	S	.	.	H	α-helix	trans	-61.1	-41.9	168.7	-77.5	175.4	-176.9	-177.1	0	110.5	G937 K943 E944 E945	G937-K941 WeakPolarHBondContact O-CA 3.49Å; G937-K941 WeakPolarHBondContact O-CB 3.43Å; G937-K941 WeakPolarHBondContact O-CG 3.5Å; G937-K941 PolarHBondContact O-N 2.86Å; K941-K943 PolarHBondContact O-N 3.04Å; K941-E944 CarbonylContact O-C 3.59Å; K941-E944 PolarHBondContact O-N 2.99Å; K941-E945 WeakPolarHBondContact O-CA 3.35Å; K941-E945 WeakPolarHBondContact O-CB 3.38Å; K941-E945 WeakPolarHBondContact O-CG 3.14Å; K941-E945 PolarHBondContact O-N 3.33Å
942	K	75.6	Confident	74.6	Confident	96 Å²	96	80.5 Å²	80.5	42%	0.417	38%	0.375	S	S	.	.	H	α-helix	trans	-63.5	-40.5	173.7	-83.1	-179.1	178	-168.9	0	111.7	T236 M938 L939 L940 E945 C946	T236-K942 HydrophobicContact CG2-CB 4.49Å; M938-K942 VanDerWaalsContact O-CB 3.23Å; M938-K942 WeakPolarHBondContact O-CB 3.03Å; M938-K942 WeakPolarHBondContact O-CG 3.18Å; M938-K942 PolarHBondContact O-N 2.88Å; L939-K942 HydrophobicContact CD2-CD 4.46Å; L939-K942 CarbonylContact O-C 3.52Å; L939-K942 PolarHBondContact O-N 3.44Å; L940-K942 VanDerWaalsContact C-N 3.34Å; K942-E945 CarbonylContact O-C 3.51Å; K942-E945 PolarHBondContact O-N 3.31Å; K942-C946 VanDerWaalsContact O-CB 3.26Å; K942-C946 WeakPolarHBondContact O-CB 3.5Å; K942-C946 PolarHBondContact O-N 3.36Å; K942-C946 PolarHBondContact O-SG 3.36Å
943	K	79.3	Confident	74.1	Confident	57 Å²	57	79.4 Å²	79.4	25%	0.248	37%	0.37	C	S	.	.	H	α-helix	trans	-64.1	-45.4	174.8	179	-174.4	176.1	-177.1	0	110.5	T236 R237 L240 L939 L940 K941 C946 M947	T236-K943 HydrophobicContact CG2-CB 4.1Å; R237-K943 HydrophobicContact CG-CD 4.34Å; L240-K943 HydrophobicContact CD1-CB 4.48Å; L240-K943 HydrophobicContact CD1-CD 3.86Å; L939-K943 VanDerWaalsContact O-CB 3.28Å; L939-K943 WeakPolarHBondContact O-CB 3.34Å; L939-K943 PolarHBondContact O-N 3.13Å; L940-K943 WeakPolarHBondContact O-CB 2.9Å; L940-K943 PolarHBondContact O-N 3.14Å; K941-K943 PolarHBondContact O-N 3.04Å; K943-C946 PolarHBondContact O-N 2.96Å; K943-M947 WeakPolarHBondContact O-CB 3.42Å; K943-M947 WeakPolarHBondContact O-CG 3.43Å; K943-M947 PolarHBondContact O-N 3.34Å
944	E	75.8	Confident	73.6	Confident	112 Å²	112	78.7 Å²	78.7	52%	0.523	37%	0.373	S	S	.	.	H	α-helix	trans	-66.7	-39.3	176.6	-169.1	-172.8	174.3	0	0	111.2	L940 K941 M947 K948	L940-E944 VanDerWaalsContact O-CB 3.26Å; L940-E944 WeakPolarHBondContact O-CB 3.28Å; L940-E944 PolarHBondContact O-N 3.49Å; K941-E944 CarbonylContact O-C 3.59Å; K941-E944 PolarHBondContact O-N 2.99Å; E944-M947 CarbonylContact O-C 3.52Å; E944-M947 PolarHBondContact O-N 3.4Å; E944-K948 WeakPolarHBondContact O-CA 3.42Å; E944-K948 WeakPolarHBondContact O-CB 3.4Å; E944-K948 PolarHBondContact O-N 3.38Å
945	E	73.6	Confident	72.6	Confident	82 Å²	82	78.8 Å²	78.8	38%	0.383	38%	0.382	S	S	.	.	H	α-helix	trans	-68	-42.4	175.1	-81	174.2	-168.3	0	0	110.3	K941 K942 M947 K948 K949	K941-E945 WeakPolarHBondContact O-CA 3.35Å; K941-E945 WeakPolarHBondContact O-CB 3.38Å; K941-E945 WeakPolarHBondContact O-CG 3.14Å; K941-E945 PolarHBondContact O-N 3.33Å; K942-E945 CarbonylContact O-C 3.51Å; K942-E945 PolarHBondContact O-N 3.31Å; E945-M947 VanDerWaalsContact C-N 3.35Å; E945-K948 CarbonylContact O-C 3.58Å; E945-K948 PolarHBondContact O-N 3.11Å; E945-K949 WeakPolarHBondContact O-CA 3.22Å; E945-K949 WeakPolarHBondContact O-CB 3.45Å; E945-K949 WeakPolarHBondContact O-CG 3.44Å; E945-K949 PolarHBondContact O-N 3.47Å
946	C	73.7	Confident	71.8	Confident	10 Å²	10	72.6 Å²	72.6	7%	0.068	36%	0.362	C	S	.	.	H	α-helix	trans	-61.3	-47.4	171.4	-71.9	0	0	0	0	108.9	L233 K942 K943 K948 I950	L233-C946 HydrophobicContact CB-CB 4.28Å; L233-C946 HydrophobicContact CD1-CB 4.5Å; K942-C946 VanDerWaalsContact O-CB 3.26Å; K942-C946 WeakPolarHBondContact O-CB 3.5Å; K942-C946 PolarHBondContact O-N 3.36Å; K942-C946 PolarHBondContact O-SG 3.36Å; K943-C946 PolarHBondContact O-N 2.96Å; C946-K948 VanDerWaalsContact C-N 3.31Å; C946-K948 PolarHBondContact O-N 3.06Å; C946-I950 VanDerWaalsContact O-CB 3.24Å; C946-I950 WeakPolarHBondContact O-CB 3.36Å; C946-I950 WeakPolarHBondContact O-CD1 3.06Å; C946-I950 WeakPolarHBondContact O-CG1 3Å; C946-I950 PolarHBondContact O-N 3.22Å
947	M	71.3	Confident	70.9	Confident	75 Å²	75	73.4 Å²	73.4	37%	0.369	37%	0.371	S	S	.	.	H	α-helix	trans	-64.8	-31.9	175	-76.1	-151.8	-59.5	0	0	113.7	L233 K943 E944 E945 R951	L233-M947 HydrophobicContact CD1-CB 4.47Å; L233-M947 HydrophobicContact CD1-CG 3.32Å; L233-M947 HydrophobicContact CD1-SD 4.3Å; L233-M947 HydrophobicContact CG-CG 4.43Å; K943-M947 WeakPolarHBondContact O-CB 3.42Å; K943-M947 WeakPolarHBondContact O-CG 3.43Å; K943-M947 PolarHBondContact O-N 3.34Å; E944-M947 CarbonylContact O-C 3.52Å; E944-M947 PolarHBondContact O-N 3.4Å; E945-M947 VanDerWaalsContact C-N 3.35Å; M947-R951 VanDerWaalsContact O-CG 3.27Å; M947-R951 WeakPolarHBondContact O-CG 3.29Å; M947-R951 PolarHBondContact O-N 3.42Å; M947-R951 VanDerWaalsContact O-N 3.13Å; M947-R951 PolarHBondContact O-NE 3.4Å
948	K	72.9	Confident	69.8	Low	101 Å²	101	80.7 Å²	80.7	44%	0.439	40%	0.398	S	S	.	.	H	α-helix	trans	-77.7	-46.9	179.5	177.3	177.7	165.5	178.9	0	109.4	E944 E945 C946 I950 R951 E952	E944-K948 WeakPolarHBondContact O-CA 3.42Å; E944-K948 WeakPolarHBondContact O-CB 3.4Å; E944-K948 PolarHBondContact O-N 3.38Å; E945-K948 CarbonylContact O-C 3.58Å; E945-K948 PolarHBondContact O-N 3.11Å; C946-K948 VanDerWaalsContact C-N 3.31Å; C946-K948 PolarHBondContact O-N 3.06Å; K948-I950 VanDerWaalsContact C-N 3.3Å; K948-I950 PolarHBondContact O-N 2.97Å; K948-R951 CarbonylContact O-C 3.59Å; K948-R951 WeakPolarHBondContact O-CA 3.43Å; K948-R951 WeakPolarHBondContact O-CB 3.36Å; K948-R951 PolarHBondContact O-N 2.91Å; K948-E952 WeakPolarHBondContact CE-OE1 3.29Å; K948-E952 HydrophobicContact CG-CG 4.06Å; K948-E952 IonicContact NZ-OE1 2.65Å; K948-E952 WeakPolarHBondContact O-CB 3.31Å; K948-E952 VanDerWaalsContact O-CG 3.29Å; K948-E952 WeakPolarHBondContact O-CG 3.3Å; K948-E952 PolarHBondContact O-N 3.21Å
949	K	70.1	Confident	68.7	Low	76 Å²	76	81.8 Å²	81.8	33%	0.33	40%	0.402	S	S	.	.	H	α-helix	trans	-55.1	-46.6	170.3	-74.5	177.8	178.2	-170	0	110.2	Y229 E945 R951 E952 L953	Y229-K949 HydrophobicContact CD2-CB 4.04Å; Y229-K949 HydrophobicContact CD2-CD 4.44Å; Y229-K949 HydrophobicContact CE1-CD 4.03Å; Y229-K949 HydrophobicContact CE2-CB 3.96Å; Y229-K949 HydrophobicContact CE2-CD 3.81Å; Y229-K949 HydrophobicContact CE2-CG 4.44Å; Y229-K949 PolarHBondContact OH-NZ 3.22Å; E945-K949 WeakPolarHBondContact O-CA 3.22Å; E945-K949 WeakPolarHBondContact O-CB 3.45Å; E945-K949 WeakPolarHBondContact O-CG 3.44Å; E945-K949 PolarHBondContact O-N 3.47Å; K949-R951 VanDerWaalsContact C-N 3.27Å; K949-R951 PolarHBondContact O-N 2.92Å; K949-E952 PolarHBondContact O-N 3.06Å; K949-E952 VanDerWaalsContact O-N 3.15Å; K949-L953 WeakPolarHBondContact O-CB 3.4Å; K949-L953 WeakPolarHBondContact O-CG 3.42Å; K949-L953 PolarHBondContact O-N 3.25Å
950	I	68.9	Low	67.6	Low	31 Å²	31	80.8 Å²	80.8	16%	0.159	40%	0.397	C	S	.	.	H	α-helix	trans	-54.5	-42.7	172.5	-74.5	167.2	0	0	0	111.6	Y226 L233 C946 K948	Y226-I950 HydrophobicContact CD2-CG2 4.12Å; Y226-I950 HydrophobicContact CE2-CG2 3.69Å; L233-I950 HydrophobicContact CD1-CD1 3.9Å; C946-I950 VanDerWaalsContact O-CB 3.24Å; C946-I950 WeakPolarHBondContact O-CB 3.36Å; C946-I950 WeakPolarHBondContact O-CD1 3.06Å; C946-I950 WeakPolarHBondContact O-CG1 3Å; C946-I950 PolarHBondContact O-N 3.22Å; K948-I950 VanDerWaalsContact C-N 3.3Å; K948-I950 PolarHBondContact O-N 2.97Å
951	R	69.4	Low	66.6	Low	165 Å²	165	82.2 Å²	82.2	62%	0.623	40%	0.4	S	S	*	.	H	α-helix	trans	-73.4	-36.7	175.4	-72.9	176.6	-73.5	166.8	-0.7	113.7	M947 K948 K949 G954	M947-R951 VanDerWaalsContact O-CG 3.27Å; M947-R951 WeakPolarHBondContact O-CG 3.29Å; M947-R951 PolarHBondContact O-N 3.42Å; M947-R951 VanDerWaalsContact O-N 3.13Å; M947-R951 PolarHBondContact O-NE 3.4Å; K948-R951 CarbonylContact O-C 3.59Å; K948-R951 WeakPolarHBondContact O-CA 3.43Å; K948-R951 WeakPolarHBondContact O-CB 3.36Å; K948-R951 PolarHBondContact O-N 2.91Å; K949-R951 VanDerWaalsContact C-N 3.27Å; K949-R951 PolarHBondContact O-N 2.92Å; R951-G954 PolarHBondContact O-N 2.94Å
952	E	66.8	Low	65.8	Low	126 Å²	126	84.4 Å²	84.4	59%	0.589	41%	0.412	S	S	*	.	H	α-helix	trans	-75.4	-22.9	-178.8	-76.9	-179.3	162.7	0	0	112.8	K948 K949 G954	K948-E952 WeakPolarHBondContact CE-OE1 3.29Å; K948-E952 HydrophobicContact CG-CG 4.06Å; K948-E952 IonicContact NZ-OE1 2.65Å; K948-E952 WeakPolarHBondContact O-CB 3.31Å; K948-E952 VanDerWaalsContact O-CG 3.29Å; K948-E952 WeakPolarHBondContact O-CG 3.3Å; K948-E952 PolarHBondContact O-N 3.21Å; K949-E952 PolarHBondContact O-N 3.06Å; K949-E952 VanDerWaalsContact O-N 3.15Å; E952-G954 PolarHBondContact O-N 3.24Å
953	L	65.8	Low	65.1	Low	14 Å²	14	85.9 Å²	85.9	7%	0.073	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-12.3	169.8	-74.4	168.9	0	0	0	111.9	R222 E225 Y226 Y229 K949	R222-L953 HydrophobicContact CB-CD2 3.79Å; R222-L953 HydrophobicContact CG-CD2 3.7Å; R222-L953 PolarHBondContact NE-O 3.01Å; R222-L953 PolarHBondContact NH2-O 3.23Å; E225-L953 HydrophobicContact CB-CD1 4.45Å; E225-L953 HydrophobicContact CB-CD2 4.35Å; Y226-L953 HydrophobicContact CD2-CD1 4.23Å; Y229-L953 HydrophobicContact CD2-CD1 4.23Å; K949-L953 WeakPolarHBondContact O-CB 3.4Å; K949-L953 WeakPolarHBondContact O-CG 3.42Å; K949-L953 PolarHBondContact O-N 3.25Å
954	G	63.3	Low	64.3	Low	35 Å²	35	86 Å²	86	36%	0.361	42%	0.418	S	S	.	.			trans	70.4	-152.6	161	0	0	0	0	0	113.6	R951 E952 L956	R951-G954 PolarHBondContact O-N 2.94Å; E952-G954 PolarHBondContact O-N 3.24Å; G954-L956 WeakPolarHBondContact O-CD1 3.39Å; G954-L956 PolarHBondContact O-N 3.31Å
955	S	57.4	Low	63.8	Low	114 Å²	114	85.2 Å²	85.2	80%	0.797	41%	0.414	S	S	*	.	S	Bend	trans	-56.1	100.7	173.3	162.3	0	0	0	0	110.3
956	L	61.1	Low	63.3	Low	44 Å²	44	88 Å²	88	23%	0.23	44%	0.437	C	S	.	.			trans	-76.2	136.3	179.7	-77	126	0	0	0	110.2	Y226 G954 A960 F961	Y226-L956 HydrophobicContact CD2-CD1 4.33Å; Y226-L956 HydrophobicContact CD2-CD2 3.95Å; Y226-L956 HydrophobicContact CE2-CD1 4.33Å; Y226-L956 HydrophobicContact CG-CD2 3.93Å; G954-L956 WeakPolarHBondContact O-CD1 3.39Å; G954-L956 PolarHBondContact O-N 3.31Å; L956-A960 HydrophobicContact CD2-CB 4.09Å; L956-F961 HydrophobicContact CB-CE2 3.85Å; L956-F961 HydrophobicContact CB-CZ 4.27Å; L956-F961 HydrophobicContact CD1-CZ 4.08Å
957	P	57.1	Low	63.2	Low	58 Å²	58	90 Å²	90	38%	0.377	45%	0.447	S	S	.	.			trans	-60.1	139.4	166.7	-17.5	30.2	0	0	0	109.6	E959 A960	P957-E959 PolarHBondContact O-N 3.3Å; P957-A960 WeakPolarHBondContact O-CB 3.24Å; P957-A960 PolarHBondContact O-N 2.96Å
958	Q	54.7	Low	63.2	Low	180 Å²	180	90.2 Å²	90.2	84%	0.841	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-56	-24.7	179.3	-71.8	172.8	-9.5	0	0	112.7	A960	Q958-A960 PolarHBondContact O-N 3.13Å
959	E	52.6	Low	63	Low	114 Å²	114	88.1 Å²	88.1	53%	0.533	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-68.1	-15	177.8	-55.9	-167.2	116.2	0	0	115.1	P957 F961 K963	P957-E959 PolarHBondContact O-N 3.3Å; E959-F961 VanDerWaalsContact C-N 3.35Å; E959-F961 PolarHBondContact O-N 3.39Å; E959-K963 IonicContact OE1-NZ 3.25Å; E959-K963 PolarHBondContact OE1-NZ 3.21Å
960	A	55.6	Low	63.1	Low	1 Å²	1	92.9 Å²	92.9	1%	0.008	47%	0.466	C	S	.	.	G	3₁₀ helix	trans	-74.4	-21	-176.9	0	0	0	0	0	113.9	A223 L956 P957 Q958	A223-A960 HydrophobicContact CB-CB 3.84Å; L956-A960 HydrophobicContact CD2-CB 4.09Å; P957-A960 WeakPolarHBondContact O-CB 3.24Å; P957-A960 PolarHBondContact O-N 2.96Å; Q958-A960 PolarHBondContact O-N 3.13Å
961	F	57.5	Low	63.4	Low	110 Å²	110	96 Å²	96	48%	0.482	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-26.2	-172.2	-67.5	-84.3	0	0	0	114.2	Y226 L956 E959	Y226-F961 HydrophobicContact CE1-CD1 4.35Å; Y226-F961 AromaticContact CE1-CE1 3.94Å; Y226-F961 HydrophobicContact CE1-CE1 3.94Å; Y226-F961 AromaticContact CZ-CE1 3.9Å; L956-F961 HydrophobicContact CB-CE2 3.85Å; L956-F961 HydrophobicContact CB-CZ 4.27Å; L956-F961 HydrophobicContact CD1-CZ 4.08Å; E959-F961 VanDerWaalsContact C-N 3.35Å; E959-F961 PolarHBondContact O-N 3.39Å
962	E	60.1	Low	63.5	Low	172 Å²	172	88.2 Å²	88.2	80%	0.804	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	-33.9	-175.1	-81.6	178.3	155.6	0	0	114.7
963	K	59.7	Low	63.8	Low	127 Å²	127	85.4 Å²	85.4	55%	0.552	44%	0.437	S	S	*	.	S	Bend	trans	-84.6	-24.8	-167.1	-73.1	179.1	-179.7	172.2	0	115.7	E959	E959-K963 IonicContact OE1-NZ 3.25Å; E959-K963 PolarHBondContact OE1-NZ 3.21Å
964	Y	63.8	Low	64.3	Low	58 Å²	58	93.2 Å²	93.2	23%	0.227	47%	0.465	C	S	.	.	S	Bend	trans	-121.3	3.1	-166.9	-63.9	-74.6	0	0	0	115.6	L224 L967	L224-Y964 HydrophobicContact CD2-CD1 3.57Å; L224-Y964 HydrophobicContact CD2-CD2 4.19Å; L224-Y964 HydrophobicContact CD2-CE1 3.92Å; L224-Y964 HydrophobicContact CD2-CE2 4.48Å; L224-Y964 HydrophobicContact CD2-CG 3.73Å; Y964-L967 HydrophobicContact CD1-CD1 3.69Å; Y964-L967 HydrophobicContact CG-CD1 4.47Å
965	Q	65	Low	64.7	Low	96 Å²	96	96.5 Å²	96.5	45%	0.449	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-27.8	-172.9	-170.8	64.1	13.1	0	0	114.3	L967	Q965-L967 VanDerWaalsContact C-N 3.31Å; Q965-L967 PolarHBondContact O-N 3.26Å
966	T	61.9	Low	65.6	Low	141 Å²	141	91.8 Å²	91.8	87%	0.865	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	1.9	-175.6	-14.5	0	0	0	0	114
967	L	71.4	Confident	66.4	Low	52 Å²	52	94.6 Å²	94.6	27%	0.272	45%	0.448	S	S	.	.	S	Bend	trans	-89.3	144.4	-177.2	-69.7	155.4	0	0	0	111.3	Y964 Q965 Q971 L972	Y964-L967 HydrophobicContact CD1-CD1 3.69Å; Y964-L967 HydrophobicContact CG-CD1 4.47Å; Q965-L967 VanDerWaalsContact C-N 3.31Å; Q965-L967 PolarHBondContact O-N 3.26Å; L967-Q971 HydrophobicContact CB-CB 4.48Å; L967-Q971 HydrophobicContact CD2-CB 4.17Å; L967-L972 HydrophobicContact CB-CD1 4.46Å; L967-L972 HydrophobicContact CB-CD2 3.9Å; L967-L972 HydrophobicContact CB-CG 3.78Å; L967-L972 HydrophobicContact CD1-CD2 3.93Å
968	T	73	Confident	67.3	Low	80 Å²	80	97.1 Å²	97.1	49%	0.491	45%	0.454	S	S	.	.			trans	-70.5	152.5	174.7	54.7	0	0	0	0	111.5	K970 Q971 L972	T968-K970 PolarHBondContact O-N 3.08Å; T968-K970 VanDerWaalsContact O-N 3.09Å; T968-Q971 PolarHBondContact O-N 3.38Å; T968-Q971 VanDerWaalsContact OG1-CD 3.25Å; T968-Q971 WeakPolarHBondContact OG1-CG 3.37Å; T968-Q971 PolarHBondContact OG1-OE1 3.26Å; T968-L972 PolarHBondContact O-N 2.96Å
969	L	68.5	Low	68.1	Low	56 Å²	56	89.3 Å²	89.3	29%	0.293	42%	0.419	S	S	.	.	H	α-helix	trans	-48.9	-40.9	179.2	-156.5	99.9	0	0	0	112.1	Q231 Q971 L972 F973	Q231-L969 HydrophobicContact CB-CD1 3.63Å; Q231-L969 HydrophobicContact CG-CD1 4.44Å; L969-Q971 PolarHBondContact O-N 2.87Å; L969-L972 PolarHBondContact O-N 3.33Å; L969-F973 HydrophobicContact CD2-CD2 4.07Å; L969-F973 HydrophobicContact CD2-CE2 3.48Å; L969-F973 VanDerWaalsContact CD2-CE2 3.48Å; L969-F973 HydrophobicContact CG-CD2 3.97Å; L969-F973 HydrophobicContact CG-CE2 3.61Å; L969-F973 WeakPolarHBondContact O-CB 3.33Å; L969-F973 WeakPolarHBondContact O-CD2 3.26Å; L969-F973 WeakPolarHBondContact O-CG 3.22Å; L969-F973 PolarHBondContact O-N 3.47Å
970	K	71.8	Confident	68.9	Low	176 Å²	176	86.1 Å²	86.1	77%	0.765	41%	0.406	S	S	*	.	H	α-helix	trans	-65.7	-36.1	176.4	-82.4	-177.9	176.3	176.5	0	114.2	T968 R974	T968-K970 PolarHBondContact O-N 3.08Å; T968-K970 VanDerWaalsContact O-N 3.09Å; K970-R974 PolarHBondContact O-N 2.86Å; K970-R974 VanDerWaalsContact O-N 3.09Å
971	Q	74.9	Confident	70	Confident	98 Å²	98	89.2 Å²	89.2	46%	0.458	43%	0.425	S	S	.	.	H	α-helix	trans	-77.2	-36.8	178.3	-71.5	168.3	-23.9	0	0	111.5	L967 T968 L969 F973 R974 K975	L967-Q971 HydrophobicContact CB-CB 4.48Å; L967-Q971 HydrophobicContact CD2-CB 4.17Å; T968-Q971 PolarHBondContact O-N 3.38Å; T968-Q971 VanDerWaalsContact OG1-CD 3.25Å; T968-Q971 WeakPolarHBondContact OG1-CG 3.37Å; T968-Q971 PolarHBondContact OG1-OE1 3.26Å; L969-Q971 PolarHBondContact O-N 2.87Å; Q971-F973 VanDerWaalsContact C-N 3.33Å; Q971-R974 PolarHBondContact O-N 2.81Å; Q971-K975 PolarHBondContact O-N 3.35Å; Q971-K975 VanDerWaalsContact O-N 3.08Å
972	L	72.8	Confident	70.5	Confident	0 Å²	0	86.8 Å²	86.8	0%	0	42%	0.415	C	S	.	.	H	α-helix	trans	-62	-42.6	170.6	-74.4	173.6	0	0	0	111	L224 I228 L967 T968 L969 K975 L976	L224-L972 HydrophobicContact CD2-CD2 4.09Å; I228-L972 HydrophobicContact CD1-CB 4.01Å; I228-L972 HydrophobicContact CG1-CB 3.83Å; I228-L972 HydrophobicContact CG1-CD1 4.29Å; L967-L972 HydrophobicContact CB-CD1 4.46Å; L967-L972 HydrophobicContact CB-CD2 3.9Å; L967-L972 HydrophobicContact CB-CG 3.78Å; L967-L972 HydrophobicContact CD1-CD2 3.93Å; T968-L972 PolarHBondContact O-N 2.96Å; L969-L972 PolarHBondContact O-N 3.33Å; L972-K975 PolarHBondContact O-N 3.3Å; L972-L976 WeakPolarHBondContact O-CB 3.36Å; L972-L976 PolarHBondContact O-N 3.28Å
973	F	71.7	Confident	70.8	Confident	67 Å²	67	78.9 Å²	78.9	29%	0.294	38%	0.378	S	S	.	.	H	α-helix	trans	-61.6	-42.5	172.7	-82.6	-57.1	0	0	0	112.7	I228 L969 Q971 K975 L976 E977	I228-F973 HydrophobicContact CD1-CD1 4.14Å; I228-F973 HydrophobicContact CD1-CE1 4.19Å; I228-F973 HydrophobicContact CG2-CE1 3.97Å; I228-F973 HydrophobicContact CG2-CZ 3.76Å; L969-F973 HydrophobicContact CD2-CD2 4.07Å; L969-F973 HydrophobicContact CD2-CE2 3.48Å; L969-F973 VanDerWaalsContact CD2-CE2 3.48Å; L969-F973 HydrophobicContact CG-CD2 3.97Å; L969-F973 HydrophobicContact CG-CE2 3.61Å; L969-F973 WeakPolarHBondContact O-CB 3.33Å; L969-F973 WeakPolarHBondContact O-CD2 3.26Å; L969-F973 WeakPolarHBondContact O-CG 3.22Å; L969-F973 PolarHBondContact O-N 3.47Å; Q971-F973 VanDerWaalsContact C-N 3.33Å; F973-K975 PolarHBondContact O-N 2.97Å; F973-L976 HydrophobicContact CD1-CD2 4.28Å; F973-L976 HydrophobicContact CE1-CD2 4.44Å; F973-L976 CarbonylContact O-C 3.16Å; F973-L976 PolarHBondContact O-N 2.96Å; F973-E977 WeakPolarHBondContact O-CA 3.47Å; F973-E977 WeakPolarHBondContact O-CB 3.2Å; F973-E977 WeakPolarHBondContact O-CG 3.39Å; F973-E977 PolarHBondContact O-N 2.87Å
974	R	77.1	Confident	71.3	Confident	178 Å²	178	78.7 Å²	78.7	67%	0.672	38%	0.377	S	S	*	.	H	α-helix	trans	-62.1	-38.5	175.7	-83.9	-175.9	176	175.8	-0.9	113.8	K970 Q971 E977 Q978	K970-R974 PolarHBondContact O-N 2.86Å; K970-R974 VanDerWaalsContact O-N 3.09Å; Q971-R974 PolarHBondContact O-N 2.81Å; R974-E977 WeakPolarHBondContact O-CB 3.46Å; R974-E977 PolarHBondContact O-N 3.43Å; R974-Q978 WeakPolarHBondContact O-CG 3.45Å; R974-Q978 PolarHBondContact O-N 2.9Å
975	K	72.2	Confident	71.5	Confident	104 Å²	104	82 Å²	82	45%	0.452	39%	0.393	S	S	.	.	H	α-helix	trans	-74.1	-40.2	177.8	-77.2	-76.9	-176.7	179.8	0	111.7	L224 Q971 L972 F973 E977 Q978 C979	L224-K975 HydrophobicContact CD1-CB 4.13Å; L224-K975 HydrophobicContact CD2-CB 4.47Å; Q971-K975 PolarHBondContact O-N 3.35Å; Q971-K975 VanDerWaalsContact O-N 3.08Å; L972-K975 PolarHBondContact O-N 3.3Å; F973-K975 PolarHBondContact O-N 2.97Å; K975-E977 VanDerWaalsContact C-N 3.27Å; K975-E977 PolarHBondContact O-N 2.8Å; K975-Q978 PolarHBondContact O-N 3.26Å; K975-C979 PolarHBondContact O-N 3.19Å; K975-C979 PolarHBondContact O-SG 3.46Å; K975-C979 VanDerWaalsContact O-SG 3.34Å
976	L	75.7	Confident	71.5	Confident	15 Å²	15	81.4 Å²	81.4	8%	0.079	39%	0.387	C	S	.	.	H	α-helix	trans	-62.3	-37.3	169.8	-178.1	68.6	0	0	0	110.1	R221 L224 I228 L972 F973 C979 N980	R221-L976 HydrophobicContact CG-CD1 3.85Å; L224-L976 HydrophobicContact CB-CB 4.49Å; L224-L976 HydrophobicContact CB-CD1 4.1Å; I228-L976 HydrophobicContact CD1-CB 3.96Å; I228-L976 HydrophobicContact CD1-CD2 3.46Å; I228-L976 VanDerWaalsContact CD1-CD2 3.46Å; I228-L976 HydrophobicContact CD1-CG 4.22Å; L972-L976 WeakPolarHBondContact O-CB 3.36Å; L972-L976 PolarHBondContact O-N 3.28Å; F973-L976 HydrophobicContact CD1-CD2 4.28Å; F973-L976 HydrophobicContact CE1-CD2 4.44Å; F973-L976 CarbonylContact O-C 3.16Å; F973-L976 PolarHBondContact O-N 2.96Å; L976-C979 PolarHBondContact O-N 3.45Å; L976-N980 WeakPolarHBondContact O-CA 3.37Å; L976-N980 WeakPolarHBondContact O-CB 3.47Å; L976-N980 PolarHBondContact O-N 3.49Å; L976-N980 PolarHBondContact O-ND2 2.85Å
977	E	76.5	Confident	71.4	Confident	104 Å²	104	77.1 Å²	77.1	49%	0.486	36%	0.363	S	S	.	.	H	α-helix	trans	-64.9	-40.5	174.9	-83.7	168.1	-176.3	0	0	111.6	F973 R974 K975 N980 T981	F973-E977 WeakPolarHBondContact O-CA 3.47Å; F973-E977 WeakPolarHBondContact O-CB 3.2Å; F973-E977 WeakPolarHBondContact O-CG 3.39Å; F973-E977 PolarHBondContact O-N 2.87Å; R974-E977 WeakPolarHBondContact O-CB 3.46Å; R974-E977 PolarHBondContact O-N 3.43Å; K975-E977 VanDerWaalsContact C-N 3.27Å; K975-E977 PolarHBondContact O-N 2.8Å; E977-N980 CarbonylContact O-C 3.58Å; E977-N980 PolarHBondContact O-N 3.17Å; E977-T981 WeakPolarHBondContact O-CA 3.43Å; E977-T981 VanDerWaalsContact O-CB 3.29Å; E977-T981 WeakPolarHBondContact O-CB 3.49Å; E977-T981 PolarHBondContact O-N 2.82Å; E977-T981 PolarHBondContact O-OG1 3.49Å
978	Q	76.9	Confident	70.8	Confident	111 Å²	111	81.1 Å²	81.1	52%	0.519	38%	0.38	S	S	.	.	H	α-helix	trans	-63.9	-47.8	174	-73.7	169.8	-0.9	0	0	111.2	R974 K975 N980 T981 E982	R974-Q978 WeakPolarHBondContact O-CG 3.45Å; R974-Q978 PolarHBondContact O-N 2.9Å; K975-Q978 PolarHBondContact O-N 3.26Å; Q978-N980 VanDerWaalsContact C-N 3.3Å; Q978-N980 PolarHBondContact O-N 3.29Å; Q978-T981 WeakPolarHBondContact O-CB 3.47Å; Q978-T981 PolarHBondContact O-N 3.04Å; Q978-E982 PolarHBondContact O-N 3.09Å
979	C	72.6	Confident	70.3	Confident	15 Å²	15	77.9 Å²	77.9	10%	0.101	36%	0.36	C	S	.	.	H	α-helix	trans	-64.7	-37.8	176.2	-63	0	0	0	0	111.7	K975 L976 T981 L983	K975-C979 PolarHBondContact O-N 3.19Å; K975-C979 PolarHBondContact O-SG 3.46Å; K975-C979 VanDerWaalsContact O-SG 3.34Å; L976-C979 PolarHBondContact O-N 3.45Å; C979-T981 VanDerWaalsContact C-N 3.3Å; C979-L983 VanDerWaalsContact O-CB 3.27Å; C979-L983 WeakPolarHBondContact O-CB 3.46Å; C979-L983 WeakPolarHBondContact O-CG 3.36Å; C979-L983 PolarHBondContact O-N 2.94Å
980	N	69.3	Low	70.2	Confident	47 Å²	47	76.1 Å²	76.1	25%	0.251	35%	0.351	S	S	.	.	H	α-helix	trans	-69.8	-25.7	172.1	-75.9	-15.2	0	0	0	111.4	R221 L976 E977 Q978 L983 K984	R221-N980 WeakPolarHBondContact CD-OD1 3.24Å; L976-N980 WeakPolarHBondContact O-CA 3.37Å; L976-N980 WeakPolarHBondContact O-CB 3.47Å; L976-N980 PolarHBondContact O-N 3.49Å; L976-N980 PolarHBondContact O-ND2 2.85Å; E977-N980 CarbonylContact O-C 3.58Å; E977-N980 PolarHBondContact O-N 3.17Å; Q978-N980 VanDerWaalsContact C-N 3.3Å; Q978-N980 PolarHBondContact O-N 3.29Å; N980-L983 CarbonylContact O-C 3.55Å; N980-K984 WeakPolarHBondContact O-CA 3.34Å; N980-K984 WeakPolarHBondContact O-CB 3.23Å; N980-K984 VanDerWaalsContact O-CD 3.3Å; N980-K984 WeakPolarHBondContact O-CD 3.45Å; N980-K984 WeakPolarHBondContact O-CG 3.46Å; N980-K984 PolarHBondContact O-N 3.07Å
981	T	77.4	Confident	69.9	Low	66 Å²	66	73.4 Å²	73.4	41%	0.405	34%	0.339	S	S	.	.	H	α-helix	trans	-73.7	-41.5	176.3	-58.6	0	0	0	0	110.4	E977 Q978 C979 K984 K985	E977-T981 WeakPolarHBondContact O-CA 3.43Å; E977-T981 VanDerWaalsContact O-CB 3.29Å; E977-T981 WeakPolarHBondContact O-CB 3.49Å; E977-T981 PolarHBondContact O-N 2.82Å; E977-T981 PolarHBondContact O-OG1 3.49Å; Q978-T981 WeakPolarHBondContact O-CB 3.47Å; Q978-T981 PolarHBondContact O-N 3.04Å; C979-T981 VanDerWaalsContact C-N 3.3Å; T981-K984 WeakPolarHBondContact O-CB 3.31Å; T981-K984 PolarHBondContact O-N 3.48Å; T981-K985 PolarHBondContact O-N 2.98Å; T981-K985 VanDerWaalsContact O-N 3.15Å
982	E	68.4	Low	69.4	Low	59 Å²	59	74.9 Å²	74.9	28%	0.276	34%	0.344	S	S	.	.	H	α-helix	trans	-72.6	-36.5	173.5	-61.9	-57.3	148.2	0	0	111.9	W217 Q978 K984 K985 Y986	W217-E982 HydrophobicContact CD2-CB 3.83Å; W217-E982 HydrophobicContact CE3-CB 4.06Å; W217-E982 HydrophobicContact CG-CB 4.43Å; W217-E982 HydrophobicContact CH2-CB 3.99Å; W217-E982 HydrophobicContact CH2-CG 3.84Å; W217-E982 HydrophobicContact CZ2-CB 3.74Å; W217-E982 HydrophobicContact CZ2-CG 3.85Å; W217-E982 HydrophobicContact CZ3-CB 4.13Å; W217-E982 HydrophobicContact CZ3-CG 4.28Å; Q978-E982 PolarHBondContact O-N 3.09Å; E982-K984 PolarHBondContact O-N 3.02Å; E982-K985 VanDerWaalsContact CD-NZ 3.25Å; E982-K985 PolarHBondContact O-N 3.35Å; E982-K985 IonicContact OE1-NZ 3.76Å; E982-K985 PolarHBondContact OE1-NZ 2.89Å; E982-K985 WeakPolarHBondContact OE2-CD 3.47Å; E982-K985 WeakPolarHBondContact OE2-CE 3.47Å; E982-K985 IonicContact OE2-NZ 2.74Å; E982-K985 PolarHBondContact OE2-NZ 3.38Å; E982-Y986 WeakPolarHBondContact O-CD2 3.4Å
983	L	66.8	Low	68.9	Low	7 Å²	7	75 Å²	75	4%	0.037	35%	0.345	C	S	.	.	H	α-helix	trans	-69	-20.4	166.4	-78.8	165	0	0	0	113.2	Y214 W217 R221 C979 N980 Y986 S987	Y214-L983 HydrophobicContact CD2-CD2 3.37Å; Y214-L983 HydrophobicContact CE2-CD2 3.68Å; Y214-L983 HydrophobicContact CG-CD2 4.05Å; W217-L983 HydrophobicContact CB-CD1 4.13Å; W217-L983 HydrophobicContact CB-CD2 3.42Å; W217-L983 VanDerWaalsContact CB-CD2 3.42Å; W217-L983 HydrophobicContact CB-CG 3.44Å; W217-L983 VanDerWaalsContact CB-CG 3.44Å; W217-L983 HydrophobicContact CG-CG 4.45Å; R221-L983 HydrophobicContact CB-CD1 3.59Å; R221-L983 HydrophobicContact CG-CD1 4.04Å; C979-L983 VanDerWaalsContact O-CB 3.27Å; C979-L983 WeakPolarHBondContact O-CB 3.46Å; C979-L983 WeakPolarHBondContact O-CG 3.36Å; C979-L983 PolarHBondContact O-N 2.94Å; N980-L983 CarbonylContact O-C 3.55Å; L983-Y986 CarbonylContact O-C 3.59Å; L983-Y986 PolarHBondContact O-N 3.34Å; L983-S987 WeakPolarHBondContact O-CA 3.48Å; L983-S987 WeakPolarHBondContact O-CB 3.27Å; L983-S987 PolarHBondContact O-N 2.92Å
984	K	68.8	Low	68.3	Low	123 Å²	123	76.6 Å²	76.6	54%	0.535	36%	0.356	S	S	.	.	H	α-helix	trans	-72.5	-40.2	175.4	-89.3	162.3	-171.6	179.8	0	110	N980 T981 E982 Y986 S987	N980-K984 WeakPolarHBondContact O-CA 3.34Å; N980-K984 WeakPolarHBondContact O-CB 3.23Å; N980-K984 VanDerWaalsContact O-CD 3.3Å; N980-K984 WeakPolarHBondContact O-CD 3.45Å; N980-K984 WeakPolarHBondContact O-CG 3.46Å; N980-K984 PolarHBondContact O-N 3.07Å; T981-K984 WeakPolarHBondContact O-CB 3.31Å; T981-K984 PolarHBondContact O-N 3.48Å; E982-K984 PolarHBondContact O-N 3.02Å; K984-Y986 PolarHBondContact O-N 2.67Å; K984-S987 WeakPolarHBondContact O-CB 3.01Å; K984-S987 PolarHBondContact O-N 3.2Å; K984-S987 VanDerWaalsContact O-N 3.08Å; K984-S987 PolarHBondContact O-OG 2.92Å
985	K	69.7	Low	67.7	Low	127 Å²	127	73 Å²	73	55%	0.552	35%	0.35	S	S	*	.	H	α-helix	trans	-57.1	-34.5	172.8	-67.5	-179.5	-171	159	0	112	T981 E982	T981-K985 PolarHBondContact O-N 2.98Å; T981-K985 VanDerWaalsContact O-N 3.15Å; E982-K985 VanDerWaalsContact CD-NZ 3.25Å; E982-K985 PolarHBondContact O-N 3.35Å; E982-K985 IonicContact OE1-NZ 3.76Å; E982-K985 PolarHBondContact OE1-NZ 2.89Å; E982-K985 WeakPolarHBondContact OE2-CD 3.47Å; E982-K985 WeakPolarHBondContact OE2-CE 3.47Å; E982-K985 IonicContact OE2-NZ 2.74Å; E982-K985 PolarHBondContact OE2-NZ 3.38Å
986	Y	64.8	Low	67.5	Low	84 Å²	84	71 Å²	71	33%	0.329	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	50.3	172.9	-50.5	-69.8	0	0	0	109.1	Q213 Y214 E982 L983 K984 V989	Q213-Y986 HydrophobicContact CB-CD1 4.14Å; Q213-Y986 HydrophobicContact CB-CD2 4.31Å; Q213-Y986 HydrophobicContact CB-CE1 4.21Å; Q213-Y986 HydrophobicContact CB-CE2 4.37Å; Q213-Y986 HydrophobicContact CB-CG 4.19Å; Q213-Y986 HydrophobicContact CG-CD2 4.48Å; Q213-Y986 HydrophobicContact CG-CE1 4.32Å; Q213-Y986 HydrophobicContact CG-CE2 4.09Å; Y214-Y986 WeakPolarHBondContact CD2-O 3.2Å; E982-Y986 WeakPolarHBondContact O-CD2 3.4Å; L983-Y986 CarbonylContact O-C 3.59Å; L983-Y986 PolarHBondContact O-N 3.34Å; K984-Y986 PolarHBondContact O-N 2.67Å; Y986-V989 VanDerWaalsContact C-CG2 3.47Å; Y986-V989 WeakPolarHBondContact O-CG2 3.41Å
987	S	60	Low	67.2	Low	50 Å²	50	73.7 Å²	73.7	35%	0.35	35%	0.354	S	S	.	.			trans	-94.8	-19.9	-178	52	0	0	0	0	113.4	L983 K984 V989	L983-S987 WeakPolarHBondContact O-CA 3.48Å; L983-S987 WeakPolarHBondContact O-CB 3.27Å; L983-S987 PolarHBondContact O-N 2.92Å; K984-S987 WeakPolarHBondContact O-CB 3.01Å; K984-S987 PolarHBondContact O-N 3.2Å; K984-S987 VanDerWaalsContact O-N 3.08Å; K984-S987 PolarHBondContact O-OG 2.92Å; S987-V989 VanDerWaalsContact C-CG2 3.46Å; S987-V989 PolarHBondContact O-N 3.23Å
988	H	58.4	Low	67	Low	136 Å²	136	73 Å²	73	63%	0.63	36%	0.356	S	S	*	.	S	Bend	trans	-93.1	32.1	-171.7	-48.8	-50.6	0	0	0	112.5
989	V	62.3	Low	66.8	Low	12 Å²	12	71.7 Å²	71.7	7%	0.073	35%	0.353	C	S	.	.			trans	-99.4	110.3	-162.5	-102.7	0	0	0	0	109	E210 L211 Y214 Y986 S987 K991	E210-V989 HydrophobicContact CB-CB 4.44Å; E210-V989 HydrophobicContact CB-CG1 3.05Å; E210-V989 HydrophobicContact CG-CG1 4.35Å; E210-V989 WeakPolarHBondContact O-CG1 3.49Å; L211-V989 HydrophobicContact CD1-CB 4.07Å; L211-V989 VanDerWaalsContact N-CG1 3.26Å; Y214-V989 HydrophobicContact CD1-CG2 4.4Å; Y214-V989 HydrophobicContact CD2-CG2 3.37Å; Y214-V989 HydrophobicContact CE2-CG2 4.07Å; Y214-V989 HydrophobicContact CG-CB 4.3Å; Y214-V989 HydrophobicContact CG-CG2 3.51Å; Y986-V989 VanDerWaalsContact C-CG2 3.47Å; Y986-V989 WeakPolarHBondContact O-CG2 3.41Å; S987-V989 VanDerWaalsContact C-CG2 3.46Å; S987-V989 PolarHBondContact O-N 3.23Å; V989-K991 PolarHBondContact O-N 3.47Å
990	N	65.6	Low	66.7	Low	20 Å²	20	74.1 Å²	74.1	11%	0.107	36%	0.362	C	S	.	.			trans	-84.2	97.4	-166.4	-176.7	-8.9	0	0	0	110.6	L204 E207 L211 K992 A993 Q996	L204-N990 WeakPolarHBondContact CD2-ND2 3.47Å; E207-N990 HydrophobicContact CB-CB 3.47Å; E207-N990 VanDerWaalsContact CB-CB 3.47Å; E207-N990 HydrophobicContact CG-CB 4.21Å; E207-N990 PolarHBondContact O-N 3.38Å; E207-N990 WeakPolarHBondContact OE2-CB 3.43Å; E207-N990 PolarHBondContact OE2-ND2 3.38Å; L211-N990 WeakPolarHBondContact CD1-O 3.41Å; N990-K992 PolarHBondContact O-N 3.39Å; N990-K992 VanDerWaalsContact O-N 3.12Å; N990-K992 PolarHBondContact OD1-N 3.05Å; N990-A993 HydrophobicContact CB-CB 3.82Å; N990-A993 WeakPolarHBondContact O-CA 3.47Å; N990-A993 WeakPolarHBondContact O-CB 3.41Å; N990-A993 PolarHBondContact O-N 3.39Å; N990-A993 PolarHBondContact OD1-N 2.94Å; N990-Q996 PolarHBondContact ND2-OE1 3.17Å; N990-Q996 VanDerWaalsContact ND2-OE1 3.12Å; N990-Q996 PolarHBondContact OD1-OE1 3.42Å
991	K	66.8	Low	66.8	Low	119 Å²	119	74.2 Å²	74.2	52%	0.517	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-24.5	-177.8	-65.3	176.5	-174.6	-167	0	114.9	L211 Y214 V989	L211-K991 HydrophobicContact CD1-CB 3.95Å; L211-K991 HydrophobicContact CD1-CG 3.62Å; Y214-K991 HydrophobicContact CE1-CD 4.35Å; Y214-K991 VanDerWaalsContact CZ-NZ 3.33Å; Y214-K991 VanDerWaalsContact OH-CE 3.25Å; Y214-K991 WeakPolarHBondContact OH-CE 3.36Å; Y214-K991 PolarHBondContact OH-NZ 3.16Å; V989-K991 PolarHBondContact O-N 3.47Å
992	K	63.2	Low	66.7	Low	128 Å²	128	75.7 Å²	75.7	56%	0.557	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	15.7	176.3	-68.6	-172.3	173.8	-172.3	0	110.7	N990 L994 D995 Q996	N990-K992 PolarHBondContact O-N 3.39Å; N990-K992 VanDerWaalsContact O-N 3.12Å; N990-K992 PolarHBondContact OD1-N 3.05Å; K992-L994 PolarHBondContact O-N 3.15Å; K992-D995 HydrophobicContact CB-CB 4.49Å; K992-D995 PolarHBondContact O-N 2.9Å; K992-Q996 HydrophobicContact CB-CG 3.95Å; K992-Q996 WeakPolarHBondContact O-CB 3.41Å; K992-Q996 PolarHBondContact O-N 3.12Å
993	A	62.7	Low	66.7	Low	2 Å²	2	76.9 Å²	76.9	2%	0.017	37%	0.374	C	S	.	.	H	α-helix	trans	-47.6	-44.7	-177.6	0	0	0	0	0	110	L204 K208 N990 F997	L204-A993 VanDerWaalsContact CD2-CA 3.42Å; L204-A993 HydrophobicContact CD2-CB 3.99Å; L204-A993 WeakPolarHBondContact CD2-O 3.48Å; K208-A993 HydrophobicContact CB-CB 3.79Å; K208-A993 HydrophobicContact CG-CB 4.46Å; N990-A993 HydrophobicContact CB-CB 3.82Å; N990-A993 WeakPolarHBondContact O-CA 3.47Å; N990-A993 WeakPolarHBondContact O-CB 3.41Å; N990-A993 PolarHBondContact O-N 3.39Å; N990-A993 PolarHBondContact OD1-N 2.94Å; A993-F997 WeakPolarHBondContact O-CB 3.38Å; A993-F997 PolarHBondContact O-N 3.44Å
994	L	59.2	Low	67.3	Low	102 Å²	102	79 Å²	79	53%	0.534	38%	0.383	S	S	.	.	H	α-helix	trans	-59.3	-49.7	176.9	-162.3	120.5	0	0	0	113.6	K208 K992 V998	K208-L994 HydrophobicContact CD-CD1 4.43Å; K992-L994 PolarHBondContact O-N 3.15Å; L994-V998 WeakPolarHBondContact O-CG2 3.46Å
995	D	65.3	Low	67.7	Low	103 Å²	103	78.4 Å²	78.4	55%	0.551	38%	0.382	S	S	*	.	H	α-helix	trans	-76.9	-34.5	-177.6	-61.5	-23.3	0	0	0	112.8	K992 V998 N999	K992-D995 HydrophobicContact CB-CB 4.49Å; K992-D995 PolarHBondContact O-N 2.9Å; D995-V998 PolarHBondContact O-N 3.43Å; D995-N999 WeakPolarHBondContact O-CB 3.36Å; D995-N999 PolarHBondContact O-N 3.03Å
996	Q	67.3	Low	68	Low	62 Å²	62	77.9 Å²	77.9	29%	0.29	38%	0.38	S	S	.	.	H	α-helix	trans	-75.5	-37.7	-178.9	-78.1	-175.3	-16	0	0	112	L204 N990 K992 V998 N999 F1000	L204-Q996 HydrophobicContact CD1-CB 4.26Å; L204-Q996 HydrophobicContact CD2-CB 3.88Å; N990-Q996 PolarHBondContact ND2-OE1 3.17Å; N990-Q996 VanDerWaalsContact ND2-OE1 3.12Å; N990-Q996 PolarHBondContact OD1-OE1 3.42Å; K992-Q996 HydrophobicContact CB-CG 3.95Å; K992-Q996 WeakPolarHBondContact O-CB 3.41Å; K992-Q996 PolarHBondContact O-N 3.12Å; Q996-V998 PolarHBondContact O-N 3.45Å; Q996-N999 PolarHBondContact O-N 2.83Å; Q996-F1000 HydrophobicContact CB-CD2 4Å; Q996-F1000 HydrophobicContact CB-CE2 3.99Å; Q996-F1000 HydrophobicContact CG-CE2 4.16Å; Q996-F1000 VanDerWaalsContact O-CB 3.31Å; Q996-F1000 WeakPolarHBondContact O-CB 3.03Å; Q996-F1000 VanDerWaalsContact O-CD2 3.3Å; Q996-F1000 WeakPolarHBondContact O-CD2 3.28Å; Q996-F1000 WeakPolarHBondContact O-CG 3.44Å; Q996-F1000 PolarHBondContact O-N 2.87Å
997	F	69.7	Low	68.4	Low	71 Å²	71	76.7 Å²	76.7	31%	0.311	38%	0.379	S	S	.	.	H	α-helix	trans	-56.9	-42.6	172.1	-176.5	-93.8	0	0	0	110.9	L201 L204 E205 A993 S1001	L201-F997 HydrophobicContact CD2-CD2 3.69Å; L201-F997 HydrophobicContact CD2-CE2 3.72Å; L201-F997 HydrophobicContact CD2-CG 4.35Å; L201-F997 HydrophobicContact CD2-CZ 4.41Å; L204-F997 HydrophobicContact CB-CD2 4.47Å; E205-F997 WeakPolarHBondContact OE2-CE2 3.49Å; E205-F997 WeakPolarHBondContact OE2-CZ 3.35Å; A993-F997 WeakPolarHBondContact O-CB 3.38Å; A993-F997 PolarHBondContact O-N 3.44Å; F997-S1001 WeakPolarHBondContact O-CB 3.46Å; F997-S1001 PolarHBondContact O-N 2.73Å; F997-S1001 PolarHBondContact O-OG 3.39Å
998	V	72.8	Confident	69.4	Low	90 Å²	90	77.1 Å²	77.1	55%	0.545	38%	0.377	S	S	.	.	H	α-helix	trans	-69.5	-41.3	177.2	176.7	0	0	0	0	112.3	L994 D995 Q996 S1001 E1002	L994-V998 WeakPolarHBondContact O-CG2 3.46Å; D995-V998 PolarHBondContact O-N 3.43Å; Q996-V998 PolarHBondContact O-N 3.45Å; V998-S1001 PolarHBondContact O-OG 3.25Å; V998-E1002 PolarHBondContact O-N 3.14Å
999	N	71.4	Confident	70.4	Confident	83 Å²	83	76.5 Å²	76.5	44%	0.444	37%	0.372	S	S	.	.	H	α-helix	trans	-74.7	-44.2	-178.3	-167.7	-24	0	0	0	112.9	D995 Q996 S1001 E1002 Q1003	D995-N999 WeakPolarHBondContact O-CB 3.36Å; D995-N999 PolarHBondContact O-N 3.03Å; Q996-N999 PolarHBondContact O-N 2.83Å; N999-S1001 VanDerWaalsContact C-N 3.32Å; N999-S1001 PolarHBondContact O-N 3.16Å; N999-E1002 PolarHBondContact O-N 3.41Å; N999-Q1003 PolarHBondContact O-N 3.21Å; N999-Q1003 PolarHBondContact OD1-NE2 3.3Å
1000	F	70.1	Confident	71	Confident	65 Å²	65	83.9 Å²	83.9	29%	0.285	40%	0.399	S	S	.	.	H	α-helix	trans	-69.5	-30.2	-179.3	-71	-44.5	0	0	0	112.8	L201 L204 Q996 K1004	L201-F1000 HydrophobicContact CD1-CB 4.35Å; L201-F1000 HydrophobicContact CG-CB 4.41Å; L204-F1000 HydrophobicContact CD1-CD2 3.77Å; L204-F1000 HydrophobicContact CD1-CE2 4.19Å; Q996-F1000 HydrophobicContact CB-CD2 4Å; Q996-F1000 HydrophobicContact CB-CE2 3.99Å; Q996-F1000 HydrophobicContact CG-CE2 4.16Å; Q996-F1000 VanDerWaalsContact O-CB 3.31Å; Q996-F1000 WeakPolarHBondContact O-CB 3.03Å; Q996-F1000 VanDerWaalsContact O-CD2 3.3Å; Q996-F1000 WeakPolarHBondContact O-CD2 3.28Å; Q996-F1000 WeakPolarHBondContact O-CG 3.44Å; Q996-F1000 PolarHBondContact O-N 2.87Å; F1000-K1004 VanDerWaalsContact O-CB 3.23Å; F1000-K1004 WeakPolarHBondContact O-CB 3.42Å; F1000-K1004 PolarHBondContact O-N 2.63Å
1001	S	72.5	Confident	71.6	Confident	50 Å²	50	84.9 Å²	84.9	35%	0.35	40%	0.403	S	S	.	.	H	α-helix	trans	-64.2	-42.9	170.5	51	0	0	0	0	111.7	F997 V998 N999 E1005	F997-S1001 WeakPolarHBondContact O-CB 3.46Å; F997-S1001 PolarHBondContact O-N 2.73Å; F997-S1001 PolarHBondContact O-OG 3.39Å; V998-S1001 PolarHBondContact O-OG 3.25Å; N999-S1001 VanDerWaalsContact C-N 3.32Å; N999-S1001 PolarHBondContact O-N 3.16Å; S1001-E1005 PolarHBondContact O-N 3.39Å
1002	E	75	Confident	72.3	Confident	96 Å²	96	82.9 Å²	82.9	45%	0.449	40%	0.398	S	S	.	.	H	α-helix	trans	-68.9	-37.8	176.9	-156	-168.2	147.4	0	0	112.8	V998 N999 E1005 K1006	V998-E1002 PolarHBondContact O-N 3.14Å; N999-E1002 PolarHBondContact O-N 3.41Å; E1002-E1005 PolarHBondContact O-N 3.04Å; E1002-K1006 PolarHBondContact O-N 3.44Å; E1002-K1006 WeakPolarHBondContact OE1-CE 3.08Å; E1002-K1006 IonicContact OE1-NZ 3.39Å; E1002-K1006 PolarHBondContact OE1-NZ 3.24Å
1003	Q	69.4	Low	73.1	Confident	85 Å²	85	82.9 Å²	82.9	40%	0.397	40%	0.4	S	S	.	.	H	α-helix	trans	-69	-40.6	176.2	-77	-173.9	-8.1	0	0	112.8	N999 E1005 K1006 L1007	N999-Q1003 PolarHBondContact O-N 3.21Å; N999-Q1003 PolarHBondContact OD1-NE2 3.3Å; Q1003-E1005 VanDerWaalsContact C-N 3.26Å; Q1003-E1005 PolarHBondContact O-N 3.15Å; Q1003-K1006 PolarHBondContact O-N 3.49Å; Q1003-L1007 WeakPolarHBondContact O-CG 3.3Å; Q1003-L1007 PolarHBondContact O-N 3.07Å
1004	K	77.4	Confident	73.8	Confident	52 Å²	52	87.2 Å²	87.2	23%	0.226	42%	0.422	C	S	.	.	H	α-helix	trans	-55	-46.9	173.7	-179.9	-173.1	172.3	-177.2	0	110.2	L194 I197 E198 L201 F1000 K1006 L1007 I1008	L194-K1004 HydrophobicContact CD2-CG 4.23Å; I197-K1004 HydrophobicContact CG2-CB 4.08Å; I197-K1004 HydrophobicContact CG2-CG 4.44Å; E198-K1004 HydrophobicContact CG-CD 4.22Å; E198-K1004 WeakPolarHBondContact OE1-CE 3.11Å; E198-K1004 IonicContact OE1-NZ 3.42Å; E198-K1004 PolarHBondContact OE1-NZ 3.42Å; L201-K1004 HydrophobicContact CD1-CD 4.16Å; F1000-K1004 VanDerWaalsContact O-CB 3.23Å; F1000-K1004 WeakPolarHBondContact O-CB 3.42Å; F1000-K1004 PolarHBondContact O-N 2.63Å; K1004-K1006 VanDerWaalsContact C-N 3.34Å; K1004-K1006 PolarHBondContact O-N 3.25Å; K1004-L1007 PolarHBondContact O-N 3.37Å; K1004-I1008 HydrophobicContact CG-CD1 3.93Å; K1004-I1008 WeakPolarHBondContact O-CG1 3.48Å; K1004-I1008 PolarHBondContact O-N 3.16Å
1005	E	78.4	Confident	74.9	Confident	109 Å²	109	84.6 Å²	84.6	51%	0.509	41%	0.409	S	S	.	.	H	α-helix	trans	-62	-39.5	179.8	-153.8	-161.2	144.7	0	0	112.6	S1001 E1002 Q1003 K1009	S1001-E1005 PolarHBondContact O-N 3.39Å; E1002-E1005 PolarHBondContact O-N 3.04Å; Q1003-E1005 VanDerWaalsContact C-N 3.26Å; Q1003-E1005 PolarHBondContact O-N 3.15Å; E1005-K1009 WeakPolarHBondContact O-CG 3.43Å; E1005-K1009 PolarHBondContact O-N 2.98Å; E1005-K1009 WeakPolarHBondContact OE1-CE 3.38Å; E1005-K1009 IonicContact OE1-NZ 2.87Å; E1005-K1009 PolarHBondContact OE1-NZ 3.23Å
1006	K	75.3	Confident	75.7	Confident	116 Å²	116	87.7 Å²	87.7	50%	0.504	41%	0.413	S	S	.	.	H	α-helix	trans	-69.2	-37.2	176.3	-71.7	174.8	-172.7	162.5	0	113	E1002 Q1003 K1004 R1010	E1002-K1006 PolarHBondContact O-N 3.44Å; E1002-K1006 WeakPolarHBondContact OE1-CE 3.08Å; E1002-K1006 IonicContact OE1-NZ 3.39Å; E1002-K1006 PolarHBondContact OE1-NZ 3.24Å; Q1003-K1006 PolarHBondContact O-N 3.49Å; K1004-K1006 VanDerWaalsContact C-N 3.34Å; K1004-K1006 PolarHBondContact O-N 3.25Å; K1006-R1010 PolarHBondContact O-N 3.24Å
1007	L	73.8	Confident	76.4	Confident	60 Å²	60	86 Å²	86	31%	0.314	41%	0.412	S	S	.	.	H	α-helix	trans	-72.6	-40.3	-179.6	-74	172.2	0	0	0	112.3	L194 I197 Q1003 K1004 K1009 R1010 Q1011	L194-L1007 HydrophobicContact CD2-CB 4.2Å; I197-L1007 HydrophobicContact CD1-CD1 3.89Å; Q1003-L1007 WeakPolarHBondContact O-CG 3.3Å; Q1003-L1007 PolarHBondContact O-N 3.07Å; K1004-L1007 PolarHBondContact O-N 3.37Å; L1007-K1009 VanDerWaalsContact C-N 3.34Å; L1007-K1009 PolarHBondContact O-N 3.14Å; L1007-R1010 PolarHBondContact O-N 2.98Å; L1007-Q1011 PolarHBondContact O-N 3.04Å
1008	I	80.5	Confident	77	Confident	59 Å²	59	86.3 Å²	86.3	30%	0.303	41%	0.411	S	S	.	.	H	α-helix	trans	-58.9	-47.5	173.3	-69.2	174.3	0	0	0	110.1	L194 K1004 R1010 Q1011 D1012	L194-I1008 HydrophobicContact CD1-CG1 4.15Å; L194-I1008 HydrophobicContact CD2-CD1 4.37Å; L194-I1008 HydrophobicContact CD2-CG1 3.72Å; K1004-I1008 HydrophobicContact CG-CD1 3.93Å; K1004-I1008 WeakPolarHBondContact O-CG1 3.48Å; K1004-I1008 PolarHBondContact O-N 3.16Å; I1008-R1010 VanDerWaalsContact C-N 3.28Å; I1008-R1010 PolarHBondContact O-N 3.37Å; I1008-Q1011 PolarHBondContact O-N 3.13Å; I1008-D1012 PolarHBondContact O-N 3.37Å
1009	K	79.8	Confident	77.5	Confident	122 Å²	122	89.1 Å²	89.1	53%	0.53	42%	0.416	S	S	.	.	H	α-helix	trans	-57.7	-37.2	176.7	-73.7	174.9	-172.4	166.7	0	113.4	E1005 L1007 E1013	E1005-K1009 WeakPolarHBondContact O-CG 3.43Å; E1005-K1009 PolarHBondContact O-N 2.98Å; E1005-K1009 WeakPolarHBondContact OE1-CE 3.38Å; E1005-K1009 IonicContact OE1-NZ 2.87Å; E1005-K1009 PolarHBondContact OE1-NZ 3.23Å; L1007-K1009 VanDerWaalsContact C-N 3.34Å; L1007-K1009 PolarHBondContact O-N 3.14Å; K1009-E1013 PolarHBondContact O-N 2.85Å; K1009-E1013 VanDerWaalsContact O-N 3.14Å
1010	R	74	Confident	78.2	Confident	167 Å²	167	88.2 Å²	88.2	63%	0.63	42%	0.416	S	S	*	.	H	α-helix	trans	-75	-37.7	177.2	-78.9	-176.8	176.5	170.6	-0.2	113.2	K1006 L1007 I1008 D1012 E1013 L1014	K1006-R1010 PolarHBondContact O-N 3.24Å; L1007-R1010 PolarHBondContact O-N 2.98Å; I1008-R1010 VanDerWaalsContact C-N 3.28Å; I1008-R1010 PolarHBondContact O-N 3.37Å; R1010-D1012 VanDerWaalsContact C-N 3.32Å; R1010-E1013 PolarHBondContact O-N 3.29Å; R1010-L1014 PolarHBondContact O-N 3.19Å
1011	Q	78.8	Confident	78.9	Confident	41 Å²	41	89.3 Å²	89.3	19%	0.192	42%	0.424	C	S	.	.	H	α-helix	trans	-59.9	-47.4	173	-176.6	-163.9	-9.5	0	0	109.7	N191 L1007 I1008 E1013 L1014 D1015	N191-Q1011 VanDerWaalsContact OD1-CD 3.32Å; N191-Q1011 PolarHBondContact OD1-NE2 3.46Å; L1007-Q1011 PolarHBondContact O-N 3.04Å; I1008-Q1011 PolarHBondContact O-N 3.13Å; Q1011-E1013 VanDerWaalsContact C-N 3.26Å; Q1011-E1013 PolarHBondContact O-N 3.49Å; Q1011-L1014 PolarHBondContact O-N 3.08Å; Q1011-D1015 WeakPolarHBondContact O-CB 3.46Å; Q1011-D1015 PolarHBondContact O-N 3.37Å
1012	D	80.9	Confident	79.3	Confident	78 Å²	78	90 Å²	90	42%	0.417	42%	0.423	S	S	.	.	H	α-helix	trans	-62.5	-32.2	177.4	-68.6	-26.3	0	0	0	112.6	I1008 R1010 R1016	I1008-D1012 PolarHBondContact O-N 3.37Å; R1010-D1012 VanDerWaalsContact C-N 3.32Å; D1012-R1016 WeakPolarHBondContact O-CB 3.22Å; D1012-R1016 WeakPolarHBondContact O-CG 3.32Å; D1012-R1016 PolarHBondContact O-N 2.82Å; D1012-R1016 VanDerWaalsContact O-N 3.16Å; D1012-R1016 PolarHBondContact O-NE 3.49Å
1013	E	80.5	Confident	79.8	Confident	128 Å²	128	91.3 Å²	91.3	60%	0.598	43%	0.429	S	S	*	.	H	α-helix	trans	-71.1	-43.7	173.8	-171.8	175.7	-170.2	0	0	112.3	K1009 R1010 Q1011 R1016 G1017	K1009-E1013 PolarHBondContact O-N 2.85Å; K1009-E1013 VanDerWaalsContact O-N 3.14Å; R1010-E1013 PolarHBondContact O-N 3.29Å; Q1011-E1013 VanDerWaalsContact C-N 3.26Å; Q1011-E1013 PolarHBondContact O-N 3.49Å; E1013-R1016 PolarHBondContact O-N 3.07Å; E1013-G1017 PolarHBondContact O-N 3.29Å
1014	L	78.5	Confident	80.4	Confident	92 Å²	92	92.1 Å²	92.1	48%	0.482	44%	0.435	S	S	.	.	H	α-helix	trans	-64.5	-42	176.1	-78.9	169.3	0	0	0	112.1	I190 R1010 Q1011 R1016 G1017 Y1018	I190-L1014 HydrophobicContact CD1-CD1 4.19Å; R1010-L1014 PolarHBondContact O-N 3.19Å; Q1011-L1014 PolarHBondContact O-N 3.08Å; L1014-R1016 VanDerWaalsContact C-N 3.34Å; L1014-G1017 PolarHBondContact O-N 3.35Å; L1014-Y1018 WeakPolarHBondContact O-CB 3.4Å; L1014-Y1018 PolarHBondContact O-N 3.23Å
1015	D	81.3	Confident	80.7	Confident	48 Å²	48	90.8 Å²	90.8	26%	0.257	43%	0.43	S	S	.	.	H	α-helix	trans	-66	-39	177.9	-77.9	2.9	0	0	0	111.2	R187 Q1011 K1019	R187-D1015 IonicContact CZ-OD1 2.68Å; R187-D1015 IonicContact NE-OD1 3.4Å; R187-D1015 PolarHBondContact NE-OD1 2.96Å; R187-D1015 VanDerWaalsContact NH2-CG 3.26Å; R187-D1015 IonicContact NH2-OD1 3.21Å; R187-D1015 PolarHBondContact NH2-OD1 3.46Å; R187-D1015 IonicContact NH2-OD2 2.89Å; Q1011-D1015 WeakPolarHBondContact O-CB 3.46Å; Q1011-D1015 PolarHBondContact O-N 3.37Å; D1015-K1019 WeakPolarHBondContact O-CB 3.45Å; D1015-K1019 PolarHBondContact O-N 3.41Å
1016	R	82.9	Confident	80.9	Confident	167 Å²	167	88.9 Å²	88.9	63%	0.63	42%	0.424	S	S	*	.	H	α-helix	trans	-63.5	-42.7	170.3	-77.7	-179	-68.9	155.4	-1.2	111.8	D1012 E1013 L1014 K1019 S1020	D1012-R1016 WeakPolarHBondContact O-CB 3.22Å; D1012-R1016 WeakPolarHBondContact O-CG 3.32Å; D1012-R1016 PolarHBondContact O-N 2.82Å; D1012-R1016 VanDerWaalsContact O-N 3.16Å; D1012-R1016 PolarHBondContact O-NE 3.49Å; E1013-R1016 PolarHBondContact O-N 3.07Å; L1014-R1016 VanDerWaalsContact C-N 3.34Å; R1016-K1019 PolarHBondContact O-N 2.89Å; R1016-S1020 WeakPolarHBondContact O-CB 3.45Å; R1016-S1020 PolarHBondContact O-N 3.26Å; R1016-S1020 PolarHBondContact O-OG 2.96Å
1017	G	81.4	Confident	81.4	Confident	26 Å²	26	87.2 Å²	87.2	27%	0.268	42%	0.423	S	S	.	.	H	α-helix	trans	-59.9	-50.4	176.2	0	0	0	0	0	112.3	E1013 L1014 K1019 S1020 I1021	E1013-G1017 PolarHBondContact O-N 3.29Å; L1014-G1017 PolarHBondContact O-N 3.35Å; G1017-K1019 PolarHBondContact O-N 3.46Å; G1017-S1020 PolarHBondContact O-N 2.87Å; G1017-S1020 PolarHBondContact O-OG 3.27Å; G1017-I1021 WeakPolarHBondContact O-CG1 3.34Å; G1017-I1021 PolarHBondContact O-N 3.44Å
1018	Y	82.8	Confident	81.8	Confident	78 Å²	78	87.4 Å²	87.4	31%	0.306	42%	0.424	S	S	.	.	H	α-helix	trans	-58.1	-47.7	176.2	176	-101.5	0	0	0	111.8	L1014 S1020 I1021 M1022	L1014-Y1018 WeakPolarHBondContact O-CB 3.4Å; L1014-Y1018 PolarHBondContact O-N 3.23Å; Y1018-S1020 VanDerWaalsContact C-N 3.3Å; Y1018-S1020 PolarHBondContact O-N 3.21Å; Y1018-I1021 PolarHBondContact O-N 3.04Å; Y1018-M1022 HydrophobicContact CD1-CG 4.42Å; Y1018-M1022 HydrophobicContact CD2-CG 4.47Å; Y1018-M1022 HydrophobicContact CE1-CG 3.96Å; Y1018-M1022 HydrophobicContact CE2-CG 4Å; Y1018-M1022 PolarHBondContact O-N 3.13Å
1019	K	83.2	Confident	81.9	Confident	150 Å²	150	85.8 Å²	85.8	65%	0.652	42%	0.415	S	S	*	.	H	α-helix	trans	-60.2	-41	177.3	-168.3	175.9	-179	-180	0	111.7	D1015 R1016 G1017 M1022 E1023	D1015-K1019 WeakPolarHBondContact O-CB 3.45Å; D1015-K1019 PolarHBondContact O-N 3.41Å; R1016-K1019 PolarHBondContact O-N 2.89Å; G1017-K1019 PolarHBondContact O-N 3.46Å; K1019-M1022 PolarHBondContact O-N 3.47Å; K1019-E1023 VanDerWaalsContact O-CB 3.29Å; K1019-E1023 WeakPolarHBondContact O-CB 3.25Å; K1019-E1023 PolarHBondContact O-N 2.96Å
1020	S	86.4	Confident	82.1	Confident	63 Å²	63	83.3 Å²	83.3	44%	0.441	41%	0.407	S	S	.	.	H	α-helix	trans	-66.4	-36.2	177.2	74.7	0	0	0	0	113.3	R1016 G1017 Y1018 L1024	R1016-S1020 WeakPolarHBondContact O-CB 3.45Å; R1016-S1020 PolarHBondContact O-N 3.26Å; R1016-S1020 PolarHBondContact O-OG 2.96Å; G1017-S1020 PolarHBondContact O-N 2.87Å; G1017-S1020 PolarHBondContact O-OG 3.27Å; Y1018-S1020 VanDerWaalsContact C-N 3.3Å; Y1018-S1020 PolarHBondContact O-N 3.21Å; S1020-L1024 VanDerWaalsContact O-CB 3.26Å; S1020-L1024 WeakPolarHBondContact O-CB 3.32Å; S1020-L1024 PolarHBondContact O-N 3.5Å
1021	I	83.4	Confident	82.4	Confident	88 Å²	88	83.9 Å²	83.9	45%	0.451	41%	0.409	S	S	.	.	H	α-helix	trans	-70.5	-43.2	176.8	-67.6	166.2	0	0	0	110.4	M179 G1017 Y1018 L1024 M1025	M179-I1021 HydrophobicContact SD-CG2 3.82Å; G1017-I1021 WeakPolarHBondContact O-CG1 3.34Å; G1017-I1021 PolarHBondContact O-N 3.44Å; Y1018-I1021 PolarHBondContact O-N 3.04Å; I1021-L1024 PolarHBondContact O-N 2.88Å; I1021-M1025 WeakPolarHBondContact O-CB 3.43Å; I1021-M1025 PolarHBondContact O-N 2.92Å
1022	M	82.1	Confident	82.6	Confident	65 Å²	65	82.7 Å²	82.7	32%	0.32	40%	0.404	S	S	.	.	H	α-helix	trans	-64.7	-41.4	175.8	-75.6	-66.4	-78.6	0	0	111.9	Y1018 K1019 M1025 N1026	Y1018-M1022 HydrophobicContact CD1-CG 4.42Å; Y1018-M1022 HydrophobicContact CD2-CG 4.47Å; Y1018-M1022 HydrophobicContact CE1-CG 3.96Å; Y1018-M1022 HydrophobicContact CE2-CG 4Å; Y1018-M1022 PolarHBondContact O-N 3.13Å; K1019-M1022 PolarHBondContact O-N 3.47Å; M1022-M1025 PolarHBondContact O-N 3.42Å; M1022-M1025 HydrophobicContact SD-CE 3.63Å; M1022-N1026 WeakPolarHBondContact O-CB 3.13Å; M1022-N1026 VanDerWaalsContact O-CG 3.31Å; M1022-N1026 PolarHBondContact O-N 3.43Å; M1022-N1026 PolarHBondContact O-ND2 3.47Å
1023	E	84.8	Confident	82.6	Confident	124 Å²	124	81.3 Å²	81.3	58%	0.579	39%	0.393	S	S	*	.	H	α-helix	trans	-62.1	-47.4	173.7	-174.2	174.6	-172.4	0	0	111.1	K1019 M1025 N1026 V1027	K1019-E1023 VanDerWaalsContact O-CB 3.29Å; K1019-E1023 WeakPolarHBondContact O-CB 3.25Å; K1019-E1023 PolarHBondContact O-N 2.96Å; E1023-M1025 VanDerWaalsContact C-N 3.32Å; E1023-M1025 PolarHBondContact O-N 3.03Å; E1023-N1026 PolarHBondContact O-N 3.04Å; E1023-V1027 VanDerWaalsContact O-CG2 3.3Å; E1023-V1027 WeakPolarHBondContact O-CG2 3.49Å; E1023-V1027 PolarHBondContact O-N 3.49Å
1024	L	82.8	Confident	82.8	Confident	102 Å²	102	81.5 Å²	81.5	53%	0.534	39%	0.394	S	S	.	.	H	α-helix	trans	-59.2	-42.3	175.7	-179	63.9	0	0	0	111.8	S1020 I1021 V1027 L1028	S1020-L1024 VanDerWaalsContact O-CB 3.26Å; S1020-L1024 WeakPolarHBondContact O-CB 3.32Å; S1020-L1024 PolarHBondContact O-N 3.5Å; I1021-L1024 PolarHBondContact O-N 2.88Å; L1024-V1027 PolarHBondContact O-N 2.76Å; L1024-L1028 HydrophobicContact CD1-CD1 4.43Å; L1024-L1028 HydrophobicContact CD1-CG 4.36Å; L1024-L1028 HydrophobicContact CG-CD1 4.13Å; L1024-L1028 HydrophobicContact CG-CG 4.46Å; L1024-L1028 WeakPolarHBondContact O-CB 3.39Å; L1024-L1028 VanDerWaalsContact O-CG 3.26Å; L1024-L1028 WeakPolarHBondContact O-CG 3.36Å; L1024-L1028 PolarHBondContact O-N 3.34Å
1025	M	82.5	Confident	82.9	Confident	24 Å²	24	78.9 Å²	78.9	12%	0.118	39%	0.385	C	S	.	.	H	α-helix	trans	-63.8	-42.2	178	-167	-167.6	-36	0	0	112	Y168 K172 I176 M179 I1021 M1022 E1023 L1028 E1029	Y168-M1025 PolarHBondContact OH-O 3.34Å; K172-M1025 HydrophobicContact CG-SD 4.39Å; I176-M1025 HydrophobicContact CD1-SD 4.38Å; I176-M1025 HydrophobicContact CG1-SD 4.34Å; M179-M1025 HydrophobicContact CE-CE 3.25Å; M179-M1025 HydrophobicContact CE-SD 4.5Å; M179-M1025 HydrophobicContact SD-CE 3.91Å; I1021-M1025 WeakPolarHBondContact O-CB 3.43Å; I1021-M1025 PolarHBondContact O-N 2.92Å; M1022-M1025 PolarHBondContact O-N 3.42Å; M1022-M1025 HydrophobicContact SD-CE 3.63Å; E1023-M1025 VanDerWaalsContact C-N 3.32Å; E1023-M1025 PolarHBondContact O-N 3.03Å; M1025-L1028 PolarHBondContact O-N 3.1Å; M1025-E1029 WeakPolarHBondContact O-CB 3.26Å; M1025-E1029 PolarHBondContact O-N 3.38Å
1026	N	83.4	Confident	82.9	Confident	69 Å²	69	76.6 Å²	76.6	37%	0.369	37%	0.373	S	S	.	.	H	α-helix	trans	-64.8	-40.8	175.4	-74	-30.1	0	0	0	111.6	M1022 E1023 E1029 L1030	M1022-N1026 WeakPolarHBondContact O-CB 3.13Å; M1022-N1026 VanDerWaalsContact O-CG 3.31Å; M1022-N1026 PolarHBondContact O-N 3.43Å; M1022-N1026 PolarHBondContact O-ND2 3.47Å; E1023-N1026 PolarHBondContact O-N 3.04Å; N1026-E1029 PolarHBondContact O-N 3.25Å; N1026-L1030 PolarHBondContact O-N 3.02Å
1027	V	86.1	Confident	82.9	Confident	80 Å²	80	71.5 Å²	71.5	49%	0.485	36%	0.357	S	S	.	.	H	α-helix	trans	-62.9	-42.7	174.2	170.6	0	0	0	0	110.9	E1023 L1024 E1029 L1030 R1031	E1023-V1027 VanDerWaalsContact O-CG2 3.3Å; E1023-V1027 WeakPolarHBondContact O-CG2 3.49Å; E1023-V1027 PolarHBondContact O-N 3.49Å; L1024-V1027 PolarHBondContact O-N 2.76Å; V1027-E1029 VanDerWaalsContact C-N 3.32Å; V1027-E1029 PolarHBondContact O-N 3.06Å; V1027-L1030 PolarHBondContact O-N 3.18Å; V1027-R1031 WeakPolarHBondContact O-CB 3.43Å; V1027-R1031 PolarHBondContact O-N 2.78Å
1028	L	82.6	Confident	83.1	Confident	65 Å²	65	75.4 Å²	75.4	34%	0.34	37%	0.371	S	S	.	.	H	α-helix	trans	-67.5	-32.7	176.4	-71.1	176.3	0	0	0	112.2	Y168 L1024 M1025 R1031 K1032	Y168-L1028 HydrophobicContact CE2-CB 3.76Å; Y168-L1028 HydrophobicContact CE2-CD1 3.82Å; Y168-L1028 HydrophobicContact CE2-CG 4.35Å; Y168-L1028 WeakPolarHBondContact OH-CB 3.35Å; L1024-L1028 HydrophobicContact CD1-CD1 4.43Å; L1024-L1028 HydrophobicContact CD1-CG 4.36Å; L1024-L1028 HydrophobicContact CG-CD1 4.13Å; L1024-L1028 HydrophobicContact CG-CG 4.46Å; L1024-L1028 WeakPolarHBondContact O-CB 3.39Å; L1024-L1028 VanDerWaalsContact O-CG 3.26Å; L1024-L1028 WeakPolarHBondContact O-CG 3.36Å; L1024-L1028 PolarHBondContact O-N 3.34Å; M1025-L1028 PolarHBondContact O-N 3.1Å; L1028-R1031 PolarHBondContact O-N 3.24Å; L1028-K1032 WeakPolarHBondContact O-CB 3.44Å; L1028-K1032 PolarHBondContact O-N 3.18Å
1029	E	81.1	Confident	83.1	Confident	25 Å²	25	72.8 Å²	72.8	12%	0.117	36%	0.363	C	S	.	.	H	α-helix	trans	-71.1	-40.7	174.9	-176.5	150.6	-137.7	0	0	112.9	K172 M1025 N1026 V1027 R1031 K1032 Y1033	K172-E1029 IonicContact NZ-OE1 3.85Å; K172-E1029 PolarHBondContact NZ-OE1 3.2Å; K172-E1029 IonicContact NZ-OE2 3.73Å; K172-E1029 PolarHBondContact NZ-OE2 3.38Å; M1025-E1029 WeakPolarHBondContact O-CB 3.26Å; M1025-E1029 PolarHBondContact O-N 3.38Å; N1026-E1029 PolarHBondContact O-N 3.25Å; V1027-E1029 VanDerWaalsContact C-N 3.32Å; V1027-E1029 PolarHBondContact O-N 3.06Å; E1029-R1031 VanDerWaalsContact C-N 3.35Å; E1029-K1032 WeakPolarHBondContact O-CB 3.41Å; E1029-K1032 PolarHBondContact O-N 3.19Å; E1029-Y1033 PolarHBondContact O-N 3.39Å
1030	L	83.6	Confident	83.3	Confident	70 Å²	70	66.7 Å²	66.7	37%	0.366	34%	0.336	S	S	.	.	H	α-helix	trans	-60.4	-45.7	169.2	-80.2	163.5	0	0	0	111	N1026 V1027 K1032 Y1033 E1034 V1094	N1026-L1030 PolarHBondContact O-N 3.02Å; V1027-L1030 PolarHBondContact O-N 3.18Å; L1030-K1032 VanDerWaalsContact C-N 3.29Å; L1030-K1032 PolarHBondContact O-N 3.15Å; L1030-Y1033 WeakPolarHBondContact O-CB 3.39Å; L1030-Y1033 PolarHBondContact O-N 3.14Å; L1030-Y1033 VanDerWaalsContact O-N 3.17Å; L1030-E1034 WeakPolarHBondContact O-CG 3.18Å; L1030-E1034 PolarHBondContact O-N 3.14Å; L1030-V1094 HydrophobicContact CD2-CG1 4.08Å; L1030-V1094 HydrophobicContact CG-CG1 4.14Å
1031	R	81.7	Confident	83.3	Confident	179 Å²	179	71.3 Å²	71.3	68%	0.675	35%	0.348	S	S	*	.	H	α-helix	trans	-62.7	-36.2	176.6	-167.9	173.4	-176.2	170	1	112.1	V1027 L1028 E1029 A1035	V1027-R1031 WeakPolarHBondContact O-CB 3.43Å; V1027-R1031 PolarHBondContact O-N 2.78Å; L1028-R1031 PolarHBondContact O-N 3.24Å; E1029-R1031 VanDerWaalsContact C-N 3.35Å; R1031-A1035 WeakPolarHBondContact O-CB 3.4Å; R1031-A1035 PolarHBondContact O-N 3.03Å
1032	K	81.8	Confident	83.4	Confident	16 Å²	16	70.9 Å²	70.9	7%	0.07	35%	0.345	C	S	.	.	H	α-helix	trans	-62.6	-48.5	172.5	-171.7	-174.5	86.6	178	0	111	T165 Y168 D169 L1028 E1029 L1030 A1035 I1036	T165-K1032 HydrophobicContact CG2-CG 3.71Å; Y168-K1032 HydrophobicContact CD1-CD 3.85Å; Y168-K1032 HydrophobicContact CE1-CD 4.06Å; D169-K1032 WeakPolarHBondContact OD1-CD 3.42Å; D169-K1032 IonicContact OD1-NZ 3.53Å; D169-K1032 PolarHBondContact OD1-NZ 3.37Å; D169-K1032 IonicContact OD2-NZ 2.78Å; L1028-K1032 WeakPolarHBondContact O-CB 3.44Å; L1028-K1032 PolarHBondContact O-N 3.18Å; E1029-K1032 WeakPolarHBondContact O-CB 3.41Å; E1029-K1032 PolarHBondContact O-N 3.19Å; L1030-K1032 VanDerWaalsContact C-N 3.29Å; L1030-K1032 PolarHBondContact O-N 3.15Å; K1032-A1035 PolarHBondContact O-N 3.36Å; K1032-I1036 HydrophobicContact CG-CD1 4.07Å; K1032-I1036 WeakPolarHBondContact O-CG1 3.43Å; K1032-I1036 PolarHBondContact O-N 3.31Å
1033	Y	82.6	Confident	83.6	Confident	48 Å²	48	67.9 Å²	67.9	19%	0.188	33%	0.33	C	S	.	.	H	α-helix	trans	-60.3	-46.2	178.2	178.6	-90.5	0	0	0	111.6	E1029 L1030 I1036 Q1037 P1095 V1097 F1100	E1029-Y1033 PolarHBondContact O-N 3.39Å; L1030-Y1033 WeakPolarHBondContact O-CB 3.39Å; L1030-Y1033 PolarHBondContact O-N 3.14Å; L1030-Y1033 VanDerWaalsContact O-N 3.17Å; Y1033-I1036 PolarHBondContact O-N 3.41Å; Y1033-Q1037 HydrophobicContact CD1-CG 4.33Å; Y1033-Q1037 HydrophobicContact CE1-CG 3.87Å; Y1033-Q1037 WeakPolarHBondContact O-CB 3.05Å; Y1033-Q1037 WeakPolarHBondContact O-CG 3.46Å; Y1033-Q1037 PolarHBondContact O-N 2.74Å; Y1033-P1095 HydrophobicContact CD1-CB 4.48Å; Y1033-P1095 HydrophobicContact CD2-CB 4.24Å; Y1033-P1095 HydrophobicContact CE1-CB 4.23Å; Y1033-P1095 HydrophobicContact CE2-CB 3.97Å; Y1033-P1095 HydrophobicContact CG-CB 4.5Å; Y1033-V1097 HydrophobicContact CD2-CG2 3.82Å; Y1033-V1097 HydrophobicContact CG-CG2 4.32Å; Y1033-F1100 HydrophobicContact CD2-CE2 4.15Å; Y1033-F1100 AromaticContact CE2-CE2 3.61Å; Y1033-F1100 HydrophobicContact CE2-CE2 3.61Å; Y1033-F1100 AromaticContact CE2-CZ 3.68Å; Y1033-F1100 HydrophobicContact CE2-CZ 3.68Å
1034	E	83.4	Confident	83.8	Confident	132 Å²	132	62.8 Å²	62.8	62%	0.617	31%	0.308	S	S	*	.	H	α-helix	trans	-62.5	-44.4	175.5	-74.2	-175	169.8	0	0	112.2	L1030 I1036 Q1037 L1038	L1030-E1034 WeakPolarHBondContact O-CG 3.18Å; L1030-E1034 PolarHBondContact O-N 3.14Å; E1034-I1036 VanDerWaalsContact C-N 3.34Å; E1034-I1036 PolarHBondContact O-N 3.39Å; E1034-Q1037 PolarHBondContact O-N 2.98Å; E1034-L1038 WeakPolarHBondContact O-CB 3.01Å; E1034-L1038 PolarHBondContact O-N 2.8Å
1035	A	80.6	Confident	84.1	Confident	37 Å²	37	64.7 Å²	64.7	31%	0.306	31%	0.312	S	S	.	.	H	α-helix	trans	-60.9	-42.3	177.1	0	0	0	0	0	111.6	R1031 K1032 L1038 T1039	R1031-A1035 WeakPolarHBondContact O-CB 3.4Å; R1031-A1035 PolarHBondContact O-N 3.03Å; K1032-A1035 PolarHBondContact O-N 3.36Å; A1035-L1038 PolarHBondContact O-N 2.85Å; A1035-T1039 VanDerWaalsContact O-CB 3.32Å; A1035-T1039 WeakPolarHBondContact O-CB 3.15Å; A1035-T1039 VanDerWaalsContact O-CG2 3.26Å; A1035-T1039 WeakPolarHBondContact O-CG2 3.46Å; A1035-T1039 PolarHBondContact O-N 2.9Å; A1035-T1039 PolarHBondContact O-OG1 3.23Å
1036	I	82.2	Confident	84.3	Confident	1 Å²	1	64.6 Å²	64.6	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-67	-42.3	177.2	-69.8	171.1	0	0	0	111.1	L159 R160 A163 T165 K1032 Y1033 E1034 T1039 F1040 M1064 V1097	L159-I1036 HydrophobicContact CD2-CG2 4.43Å; R160-I1036 HydrophobicContact CG-CD1 4.32Å; A163-I1036 HydrophobicContact CB-CG1 4.2Å; T165-I1036 HydrophobicContact CG2-CD1 4.09Å; T165-I1036 HydrophobicContact CG2-CG1 3.93Å; K1032-I1036 HydrophobicContact CG-CD1 4.07Å; K1032-I1036 WeakPolarHBondContact O-CG1 3.43Å; K1032-I1036 PolarHBondContact O-N 3.31Å; Y1033-I1036 PolarHBondContact O-N 3.41Å; E1034-I1036 VanDerWaalsContact C-N 3.34Å; E1034-I1036 PolarHBondContact O-N 3.39Å; I1036-T1039 WeakPolarHBondContact CA-OG1 3.27Å; I1036-T1039 PolarHBondContact O-OG1 2.93Å; I1036-F1040 WeakPolarHBondContact O-CB 3.41Å; I1036-F1040 PolarHBondContact O-N 3.26Å; I1036-M1064 HydrophobicContact CG2-CE 4.11Å; I1036-V1097 HydrophobicContact CD1-CB 4.48Å; I1036-V1097 HydrophobicContact CD1-CG1 3.5Å; I1036-V1097 HydrophobicContact CD1-CG2 4.11Å
1037	Q	83.3	Confident	84.6	Confident	60 Å²	60	61.3 Å²	61.3	28%	0.28	29%	0.294	S	S	.	.	H	α-helix	trans	-65.8	-42.4	176.7	-80.2	-67	-18.7	0	0	112.4	Y1033 E1034 F1040 K1041	Y1033-Q1037 HydrophobicContact CD1-CG 4.33Å; Y1033-Q1037 HydrophobicContact CE1-CG 3.87Å; Y1033-Q1037 WeakPolarHBondContact O-CB 3.05Å; Y1033-Q1037 WeakPolarHBondContact O-CG 3.46Å; Y1033-Q1037 PolarHBondContact O-N 2.74Å; E1034-Q1037 PolarHBondContact O-N 2.98Å; Q1037-F1040 PolarHBondContact O-N 2.87Å; Q1037-K1041 VanDerWaalsContact O-CB 3.3Å; Q1037-K1041 WeakPolarHBondContact O-CB 3.26Å; Q1037-K1041 PolarHBondContact O-N 3.02Å
1038	L	84.1	Confident	84.7	Confident	108 Å²	108	59.4 Å²	59.4	57%	0.565	29%	0.285	S	S	*	.	H	α-helix	trans	-65.4	-49.2	179	-171.7	152.7	0	0	0	110.8	E1034 A1035 K1041 Q1042	E1034-L1038 WeakPolarHBondContact O-CB 3.01Å; E1034-L1038 PolarHBondContact O-N 2.8Å; A1035-L1038 PolarHBondContact O-N 2.85Å; L1038-K1041 PolarHBondContact O-N 2.83Å; L1038-Q1042 WeakPolarHBondContact O-CB 3.46Å; L1038-Q1042 PolarHBondContact O-N 3.29Å
1039	T	83.8	Confident	84.8	Confident	22 Å²	22	61.1 Å²	61.1	14%	0.135	29%	0.291	C	S	.	.	H	α-helix	trans	-62.6	-42.1	175.9	51.4	0	0	0	0	111.4	A163 A1035 I1036 K1041 Q1042 V1043	A163-T1039 HydrophobicContact CB-CG2 4.18Å; A1035-T1039 VanDerWaalsContact O-CB 3.32Å; A1035-T1039 WeakPolarHBondContact O-CB 3.15Å; A1035-T1039 VanDerWaalsContact O-CG2 3.26Å; A1035-T1039 WeakPolarHBondContact O-CG2 3.46Å; A1035-T1039 PolarHBondContact O-N 2.9Å; A1035-T1039 PolarHBondContact O-OG1 3.23Å; I1036-T1039 WeakPolarHBondContact CA-OG1 3.27Å; I1036-T1039 PolarHBondContact O-OG1 2.93Å; T1039-K1041 PolarHBondContact O-N 3.38Å; T1039-Q1042 PolarHBondContact O-N 2.82Å; T1039-V1043 WeakPolarHBondContact O-CB 3.39Å; T1039-V1043 VanDerWaalsContact O-CG2 3.22Å; T1039-V1043 WeakPolarHBondContact O-CG2 3.36Å; T1039-V1043 PolarHBondContact O-N 3.12Å
1040	F	86.3	Confident	85.1	Confident	23 Å²	23	60 Å²	60	10%	0.101	29%	0.286	C	S	.	.	H	α-helix	trans	-58.4	-47.6	173.5	177.8	-104.9	0	0	0	112.2	L159 I1036 Q1037 Q1042 S1044 L1062 M1064 V1103	L159-F1040 HydrophobicContact CD1-CD2 4.24Å; L159-F1040 HydrophobicContact CD2-CB 3.84Å; L159-F1040 HydrophobicContact CD2-CD2 4.06Å; L159-F1040 HydrophobicContact CD2-CG 4.44Å; I1036-F1040 WeakPolarHBondContact O-CB 3.41Å; I1036-F1040 PolarHBondContact O-N 3.26Å; Q1037-F1040 PolarHBondContact O-N 2.87Å; F1040-Q1042 VanDerWaalsContact C-N 3.34Å; F1040-Q1042 PolarHBondContact O-N 2.86Å; F1040-S1044 WeakPolarHBondContact O-CB 3.29Å; F1040-S1044 PolarHBondContact O-N 3.36Å; F1040-L1062 HydrophobicContact CE2-CB 3.93Å; F1040-L1062 HydrophobicContact CZ-CB 4.11Å; F1040-M1064 HydrophobicContact CD1-SD 4.39Å; F1040-M1064 HydrophobicContact CE1-CB 4.03Å; F1040-M1064 HydrophobicContact CE2-CB 4.28Å; F1040-M1064 HydrophobicContact CG-SD 4.41Å; F1040-M1064 HydrophobicContact CZ-CB 3.84Å; F1040-V1103 HydrophobicContact CD2-CG2 4.48Å; F1040-V1103 HydrophobicContact CE2-CG1 3.85Å; F1040-V1103 HydrophobicContact CE2-CG2 4.24Å
1041	K	86.9	Confident	85.2	Confident	159 Å²	159	56.7 Å²	56.7	69%	0.691	27%	0.268	S	S	*	.	H	α-helix	trans	-63.5	-40.9	179.5	-173.4	177.2	-179.4	179.1	0	111.4	Q1037 L1038 T1039 K1045	Q1037-K1041 VanDerWaalsContact O-CB 3.3Å; Q1037-K1041 WeakPolarHBondContact O-CB 3.26Å; Q1037-K1041 PolarHBondContact O-N 3.02Å; L1038-K1041 PolarHBondContact O-N 2.83Å; T1039-K1041 PolarHBondContact O-N 3.38Å; K1041-K1045 WeakPolarHBondContact O-CB 3.46Å; K1041-K1045 PolarHBondContact O-N 2.97Å
1042	Q	85.8	Confident	85.4	Confident	80 Å²	80	54.4 Å²	54.4	37%	0.374	27%	0.266	S	S	.	.	H	α-helix	trans	-69	-46.8	179	-169.1	171.5	4.3	0	0	111.7	L1038 T1039 F1040 S1044 K1045 N1046 C1141	L1038-Q1042 WeakPolarHBondContact O-CB 3.46Å; L1038-Q1042 PolarHBondContact O-N 3.29Å; T1039-Q1042 PolarHBondContact O-N 2.82Å; F1040-Q1042 VanDerWaalsContact C-N 3.34Å; F1040-Q1042 PolarHBondContact O-N 2.86Å; Q1042-S1044 PolarHBondContact O-N 2.8Å; Q1042-K1045 PolarHBondContact O-N 3Å; Q1042-N1046 WeakPolarHBondContact O-CB 3.32Å; Q1042-N1046 VanDerWaalsContact O-CG 3.29Å; Q1042-N1046 PolarHBondContact O-N 3.04Å; Q1042-C1141 HydrophobicContact CG-CB 4.46Å; Q1042-C1141 VanDerWaalsContact CG-SG 3.57Å
1043	V	86.8	Confident	85.4	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.006	28%	0.281	C	S	.	.	H	α-helix	trans	-63	-41.9	175.3	174.2	0	0	0	0	110.9	L159 T1039 N1046 F1047 L1062 L1134 I1138 C1141	L159-V1043 HydrophobicContact CD1-CB 4.3Å; L159-V1043 HydrophobicContact CD1-CG1 4.26Å; L159-V1043 HydrophobicContact CD1-CG2 4.43Å; T1039-V1043 WeakPolarHBondContact O-CB 3.39Å; T1039-V1043 VanDerWaalsContact O-CG2 3.22Å; T1039-V1043 WeakPolarHBondContact O-CG2 3.36Å; T1039-V1043 PolarHBondContact O-N 3.12Å; V1043-N1046 PolarHBondContact O-N 3.24Å; V1043-F1047 WeakPolarHBondContact O-CB 3.29Å; V1043-F1047 PolarHBondContact O-N 3.14Å; V1043-L1062 HydrophobicContact CG1-CD1 3.9Å; V1043-L1134 HydrophobicContact CG1-CD1 4.5Å; V1043-I1138 HydrophobicContact CG1-CG1 4Å; V1043-C1141 HydrophobicContact CG2-CB 3.87Å
1044	S	88.1	Confident	85.3	Confident	18 Å²	18	55.8 Å²	55.8	13%	0.126	27%	0.273	C	S	.	.	H	α-helix	trans	-63.6	-42.4	177.7	-172.5	0	0	0	0	112.1	F1040 Q1042 F1047 S1048	F1040-S1044 WeakPolarHBondContact O-CB 3.29Å; F1040-S1044 PolarHBondContact O-N 3.36Å; Q1042-S1044 PolarHBondContact O-N 2.8Å; S1044-F1047 PolarHBondContact O-N 3.37Å; S1044-S1048 PolarHBondContact O-N 3.12Å; S1044-S1048 PolarHBondContact O-OG 3.36Å
1045	K	88.6	Confident	85.3	Confident	141 Å²	141	50 Å²	50	61%	0.613	25%	0.246	S	C	*	.	H	α-helix	trans	-62.5	-53.1	174.1	-174.7	-178.4	176.4	-172.6	0	111.2	K1041 Q1042 F1047 S1048 E1049	K1041-K1045 WeakPolarHBondContact O-CB 3.46Å; K1041-K1045 PolarHBondContact O-N 2.97Å; Q1042-K1045 PolarHBondContact O-N 3Å; K1045-F1047 PolarHBondContact O-N 3.19Å; K1045-S1048 PolarHBondContact O-N 2.84Å; K1045-S1048 PolarHBondContact O-OG 3.49Å; K1045-E1049 PolarHBondContact O-N 3.39Å
1046	N	88.3	Confident	84.9	Confident	22 Å²	22	53.1 Å²	53.1	12%	0.118	26%	0.263	C	S	.	.	H	α-helix	trans	-59.5	-37.3	179.1	-71.8	-4.1	0	0	0	111.5	Q1042 V1043 E1049 V1050 A1137	Q1042-N1046 WeakPolarHBondContact O-CB 3.32Å; Q1042-N1046 VanDerWaalsContact O-CG 3.29Å; Q1042-N1046 PolarHBondContact O-N 3.04Å; V1043-N1046 PolarHBondContact O-N 3.24Å; N1046-E1049 PolarHBondContact O-N 2.91Å; N1046-V1050 VanDerWaalsContact O-CB 3.28Å; N1046-V1050 WeakPolarHBondContact O-CB 3.42Å; N1046-V1050 WeakPolarHBondContact O-CG2 3.34Å; N1046-V1050 PolarHBondContact O-N 2.89Å; N1046-A1137 HydrophobicContact CB-CB 4.01Å
1047	F	88.9	Confident	84.6	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-64.7	-44.7	177	178.3	-112.5	0	0	0	112.3	V1043 S1044 K1045 E1049 F1051 A1060 L1062 I1105 V1130 A1133 L1134 A1137	V1043-F1047 WeakPolarHBondContact O-CB 3.29Å; V1043-F1047 PolarHBondContact O-N 3.14Å; S1044-F1047 PolarHBondContact O-N 3.37Å; K1045-F1047 PolarHBondContact O-N 3.19Å; F1047-E1049 VanDerWaalsContact C-N 3.32Å; F1047-E1049 PolarHBondContact O-N 3.41Å; F1047-F1051 WeakPolarHBondContact O-CB 3.37Å; F1047-F1051 PolarHBondContact O-N 3.35Å; F1047-A1060 HydrophobicContact CD1-CB 4.23Å; F1047-A1060 HydrophobicContact CE1-CB 3.49Å; F1047-A1060 VanDerWaalsContact CE1-CB 3.49Å; F1047-A1060 HydrophobicContact CZ-CB 3.83Å; F1047-L1062 HydrophobicContact CB-CD1 4.39Å; F1047-L1062 HydrophobicContact CD1-CD1 4.42Å; F1047-L1062 HydrophobicContact CD1-CD2 4Å; F1047-L1062 HydrophobicContact CD1-CG 3.74Å; F1047-L1062 HydrophobicContact CE1-CD2 3.96Å; F1047-L1062 HydrophobicContact CE1-CG 4.19Å; F1047-L1062 HydrophobicContact CG-CD1 4.47Å; F1047-L1062 HydrophobicContact CG-CG 4.25Å; F1047-I1105 HydrophobicContact CE1-CG2 3.76Å; F1047-I1105 HydrophobicContact CZ-CG2 3.78Å; F1047-V1130 HydrophobicContact CE2-CG1 4.31Å; F1047-V1130 HydrophobicContact CZ-CG1 3.91Å; F1047-A1133 HydrophobicContact CD2-CB 4.19Å; F1047-A1133 HydrophobicContact CE2-CB 3.89Å; F1047-L1134 HydrophobicContact CD2-CB 4.01Å; F1047-L1134 HydrophobicContact CD2-CD1 4.02Å; F1047-L1134 HydrophobicContact CE2-CB 3.79Å; F1047-L1134 HydrophobicContact CE2-CD1 4.31Å; F1047-L1134 HydrophobicContact CG-CD1 4.46Å; F1047-A1137 VanDerWaalsContact CA-CB 3.41Å; F1047-A1137 HydrophobicContact CB-CB 3.7Å; F1047-A1137 HydrophobicContact CD2-CB 4.32Å
1048	S	87.6	Confident	84.4	Confident	41 Å²	41	52.8 Å²	52.8	29%	0.287	28%	0.277	S	S	.	.	H	α-helix	trans	-63	-39.5	176.2	67.8	0	0	0	0	112.4	S1044 K1045 Q1052 A1060	S1044-S1048 PolarHBondContact O-N 3.12Å; S1044-S1048 PolarHBondContact O-OG 3.36Å; K1045-S1048 PolarHBondContact O-N 2.84Å; K1045-S1048 PolarHBondContact O-OG 3.49Å; S1048-Q1052 VanDerWaalsContact O-CB 3.28Å; S1048-Q1052 WeakPolarHBondContact O-CB 3.39Å; S1048-Q1052 PolarHBondContact O-N 3.29Å; S1048-A1060 WeakPolarHBondContact CA-O 3.37Å; S1048-A1060 WeakPolarHBondContact CB-O 3.37Å
1049	E	86.2	Confident	84.4	Confident	100 Å²	100	54 Å²	54	47%	0.467	28%	0.277	S	S	.	.	H	α-helix	trans	-69.8	-48.7	179.3	-173.7	178.5	163.4	0	0	112.1	K1045 N1046 F1047 F1051 Q1052 K1053	K1045-E1049 PolarHBondContact O-N 3.39Å; N1046-E1049 PolarHBondContact O-N 2.91Å; F1047-E1049 VanDerWaalsContact C-N 3.32Å; F1047-E1049 PolarHBondContact O-N 3.41Å; E1049-F1051 PolarHBondContact O-N 2.95Å; E1049-Q1052 PolarHBondContact O-N 3.36Å; E1049-K1053 WeakPolarHBondContact O-CB 3.46Å; E1049-K1053 PolarHBondContact O-N 3.38Å
1050	V	86.4	Confident	84.5	Confident	2 Å²	2	53 Å²	53	1%	0.012	27%	0.271	C	S	.	.	H	α-helix	trans	-62.2	-44	178.1	169.2	0	0	0	0	110.7	N1046 K1053 L1054 A1133 F1136 K1140 M1168	N1046-V1050 VanDerWaalsContact O-CB 3.28Å; N1046-V1050 WeakPolarHBondContact O-CB 3.42Å; N1046-V1050 WeakPolarHBondContact O-CG2 3.34Å; N1046-V1050 PolarHBondContact O-N 2.89Å; V1050-K1053 PolarHBondContact O-N 3.41Å; V1050-L1054 HydrophobicContact CG1-CD1 3.98Å; V1050-L1054 WeakPolarHBondContact O-CG 3.38Å; V1050-L1054 PolarHBondContact O-N 3.21Å; V1050-A1133 HydrophobicContact CG1-CB 4.07Å; V1050-F1136 HydrophobicContact CG1-CB 3.83Å; V1050-K1140 HydrophobicContact CG2-CD 4.18Å; V1050-M1168 HydrophobicContact CB-CE 4.29Å; V1050-M1168 HydrophobicContact CG1-CE 3.92Å; V1050-M1168 HydrophobicContact CG2-CE 4.47Å; V1050-M1168 WeakPolarHBondContact O-CE 3.14Å
1051	F	87	Confident	84.5	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-65.6	-41.6	179.2	-172.4	-93.5	0	0	0	112.3	F1047 E1049 K1053 L1054 V1055 A1060 F1109 V1130 A1133	F1047-F1051 WeakPolarHBondContact O-CB 3.37Å; F1047-F1051 PolarHBondContact O-N 3.35Å; E1049-F1051 PolarHBondContact O-N 2.95Å; F1051-K1053 VanDerWaalsContact C-N 3.26Å; F1051-K1053 PolarHBondContact O-N 3.37Å; F1051-L1054 PolarHBondContact O-N 3.14Å; F1051-V1055 HydrophobicContact CE1-CB 4.41Å; F1051-V1055 HydrophobicContact CE1-CG2 4.39Å; F1051-V1055 HydrophobicContact CE2-CG2 4.27Å; F1051-V1055 HydrophobicContact CZ-CG2 4.08Å; F1051-V1055 PolarHBondContact O-N 3.3Å; F1051-A1060 HydrophobicContact CB-CB 3.84Å; F1051-A1060 HydrophobicContact CD1-CB 3.39Å; F1051-A1060 HydrophobicContact CD2-CB 3.87Å; F1051-A1060 HydrophobicContact CE1-CB 3.83Å; F1051-A1060 HydrophobicContact CE2-CB 4.27Å; F1051-A1060 HydrophobicContact CG-CB 3.4Å; F1051-A1060 HydrophobicContact CZ-CB 4.24Å; F1051-F1109 HydrophobicContact CE2-CE1 4.1Å; F1051-F1109 HydrophobicContact CE2-CZ 4.03Å; F1051-F1109 HydrophobicContact CZ-CD1 4.15Å; F1051-F1109 AromaticContact CZ-CE1 3.7Å; F1051-F1109 HydrophobicContact CZ-CE1 3.7Å; F1051-F1109 HydrophobicContact CZ-CE2 4.25Å; F1051-F1109 AromaticContact CZ-CZ 3.75Å; F1051-F1109 HydrophobicContact CZ-CZ 3.75Å; F1051-V1130 HydrophobicContact CD2-CG2 4.49Å; F1051-V1130 HydrophobicContact CE2-CG2 3.73Å; F1051-V1130 HydrophobicContact CZ-CG2 4.48Å; F1051-A1133 HydrophobicContact CB-CB 4.15Å; F1051-A1133 HydrophobicContact CD2-CB 3.95Å
1052	Q	84.9	Confident	84.6	Confident	132 Å²	132	46.8 Å²	46.8	62%	0.617	25%	0.248	S	C	*	.	H	α-helix	trans	-63.7	-34	176.7	-175.6	178.5	-6.3	0	0	112	S1048 E1049	S1048-Q1052 VanDerWaalsContact O-CB 3.28Å; S1048-Q1052 WeakPolarHBondContact O-CB 3.39Å; S1048-Q1052 PolarHBondContact O-N 3.29Å; E1049-Q1052 PolarHBondContact O-N 3.36Å
1053	K	82.2	Confident	84.6	Confident	89 Å²	89	45.3 Å²	45.3	39%	0.387	24%	0.244	S	C	.	.	H	α-helix	trans	-74.6	-32.8	176.4	-174.4	171.4	163.8	173.2	0	112.4	E1049 V1050 F1051 D1167 M1168 E1171	E1049-K1053 WeakPolarHBondContact O-CB 3.46Å; E1049-K1053 PolarHBondContact O-N 3.38Å; V1050-K1053 PolarHBondContact O-N 3.41Å; F1051-K1053 VanDerWaalsContact C-N 3.26Å; F1051-K1053 PolarHBondContact O-N 3.37Å; K1053-D1167 VanDerWaalsContact CE-O 3.29Å; K1053-D1167 WeakPolarHBondContact CE-O 3.49Å; K1053-D1167 PolarHBondContact NZ-O 2.86Å; K1053-M1168 HydrophobicContact CB-CE 3.5Å; K1053-M1168 VanDerWaalsContact CB-CE 3.5Å; K1053-M1168 HydrophobicContact CD-CE 3.49Å; K1053-M1168 VanDerWaalsContact CD-CE 3.49Å; K1053-M1168 HydrophobicContact CD-SD 4.24Å; K1053-M1168 HydrophobicContact CG-CE 3.5Å; K1053-E1171 IonicContact NZ-OE2 2.7Å; K1053-E1171 PolarHBondContact NZ-OE2 2.77Å
1054	L	80.8	Confident	84.5	Confident	3 Å²	3	46.7 Å²	46.7	2%	0.016	25%	0.251	C	S	.	.	H	α-helix	trans	-78.7	-31	176.4	-73.4	173.8	0	0	0	114.4	V1050 F1051 L1129 A1133 H1160 V1164 M1168	V1050-L1054 HydrophobicContact CG1-CD1 3.98Å; V1050-L1054 WeakPolarHBondContact O-CG 3.38Å; V1050-L1054 PolarHBondContact O-N 3.21Å; F1051-L1054 PolarHBondContact O-N 3.14Å; L1054-L1129 HydrophobicContact CB-CD1 4.45Å; L1054-L1129 HydrophobicContact CD1-CD1 4.4Å; L1054-A1133 HydrophobicContact CD1-CB 4.05Å; L1054-H1160 PolarHBondContact O-ND1 3.28Å; L1054-V1164 HydrophobicContact CD2-CG2 3.66Å; L1054-M1168 HydrophobicContact CD2-CE 4.33Å; L1054-M1168 HydrophobicContact CD2-CG 3.82Å; L1054-M1168 HydrophobicContact CG-CE 4Å; L1054-M1168 HydrophobicContact CG-CG 4.37Å
1055	V	82.6	Confident	84.2	Confident	10 Å²	10	50.6 Å²	50.6	6%	0.061	27%	0.266	C	S	.	.	S	Bend	trans	-122.3	101.5	179.8	-175.5	0	0	0	0	109.8	F1051 G1057 G1058 F1109 L1129	F1051-V1055 HydrophobicContact CE1-CB 4.41Å; F1051-V1055 HydrophobicContact CE1-CG2 4.39Å; F1051-V1055 HydrophobicContact CE2-CG2 4.27Å; F1051-V1055 HydrophobicContact CZ-CG2 4.08Å; F1051-V1055 PolarHBondContact O-N 3.3Å; V1055-G1057 PolarHBondContact O-N 3.09Å; V1055-G1058 PolarHBondContact O-N 3.03Å; V1055-G1058 VanDerWaalsContact O-N 3.1Å; V1055-F1109 HydrophobicContact CG1-CD1 4.17Å; V1055-F1109 HydrophobicContact CG2-CD1 4.27Å; V1055-F1109 HydrophobicContact CG2-CE1 4.14Å; V1055-L1129 HydrophobicContact CG2-CD2 3.21Å; V1055-L1129 HydrophobicContact CG2-CG 4.36Å
1056	P	73.2	Confident	83.8	Confident	103 Å²	103	50.2 Å²	50.2	67%	0.669	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	105.7	177.6	23.6	-30.5	0	0	0	110.3
1057	G	74.4	Confident	82.4	Confident	47 Å²	47	51 Å²	51	49%	0.485	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.7	0.9	180	0	0	0	0	0	116.2	V1055 G1111	V1055-G1057 PolarHBondContact O-N 3.09Å; G1057-G1111 PolarHBondContact O-N 2.74Å
1058	G	80.5	Confident	80.4	Confident	8 Å²	8	58.7 Å²	58.7	8%	0.082	32%	0.319	C	S	.	.			trans	-91.5	161.1	174.1	0	0	0	0	0	113.8	V1055 S1108	V1055-G1058 PolarHBondContact O-N 3.03Å; V1055-G1058 VanDerWaalsContact O-N 3.1Å; G1058-S1108 CarbonylContact C-O 3.52Å; G1058-S1108 WeakPolarHBondContact CA-O 3.29Å
1059	K	83.4	Confident	78.2	Confident	132 Å²	132	61.4 Å²	61.4	57%	0.574	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.6	133.5	172.4	-168.9	178.3	-176.9	-178.9	0	110.5	V1107 S1108	K1059-V1107 CarbonylContact O-C 3.57Å; K1059-S1108 PolarHBondContact N-O 2.75Å; K1059-S1108 PolarHBondContact O-N 3.24Å
1060	A	85.6	Confident	75.7	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.008	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	145.1	174.1	0	0	0	0	0	110.7	F1047 S1048 F1051 R1106 V1107	F1047-A1060 HydrophobicContact CD1-CB 4.23Å; F1047-A1060 HydrophobicContact CE1-CB 3.49Å; F1047-A1060 VanDerWaalsContact CE1-CB 3.49Å; F1047-A1060 HydrophobicContact CZ-CB 3.83Å; S1048-A1060 WeakPolarHBondContact CA-O 3.37Å; S1048-A1060 WeakPolarHBondContact CB-O 3.37Å; F1051-A1060 HydrophobicContact CB-CB 3.84Å; F1051-A1060 HydrophobicContact CD1-CB 3.39Å; F1051-A1060 HydrophobicContact CD2-CB 3.87Å; F1051-A1060 HydrophobicContact CE1-CB 3.83Å; F1051-A1060 HydrophobicContact CE2-CB 4.27Å; F1051-A1060 HydrophobicContact CG-CB 3.4Å; F1051-A1060 HydrophobicContact CZ-CB 4.24Å; A1060-R1106 WeakPolarHBondContact CA-O 3.34Å; A1060-V1107 HydrophobicContact CB-CB 4.31Å; A1060-V1107 HydrophobicContact CB-CG1 3.79Å
1061	T	87.5	Confident	73.2	Confident	42 Å²	42	69.5 Å²	69.5	26%	0.258	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	149.5	177.1	-171.4	0	0	0	0	111.6	V1063 R1106	T1061-V1063 HydrophobicContact CG2-CG2 4.33Å; T1061-R1106 HydrophobicContact CG2-CB 4.14Å; T1061-R1106 PolarHBondContact N-O 2.71Å; T1061-R1106 PolarHBondContact O-N 3.15Å
1062	L	87.6	Confident	70.6	Confident	10 Å²	10	75.4 Å²	75.4	5%	0.052	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	135.2	172.5	-60.6	178.1	0	0	0	109.8	F1040 V1043 F1047 V1103 I1105 L1134	F1040-L1062 HydrophobicContact CE2-CB 3.93Å; F1040-L1062 HydrophobicContact CZ-CB 4.11Å; V1043-L1062 HydrophobicContact CG1-CD1 3.9Å; F1047-L1062 HydrophobicContact CB-CD1 4.39Å; F1047-L1062 HydrophobicContact CD1-CD1 4.42Å; F1047-L1062 HydrophobicContact CD1-CD2 4Å; F1047-L1062 HydrophobicContact CD1-CG 3.74Å; F1047-L1062 HydrophobicContact CE1-CD2 3.96Å; F1047-L1062 HydrophobicContact CE1-CG 4.19Å; F1047-L1062 HydrophobicContact CG-CD1 4.47Å; F1047-L1062 HydrophobicContact CG-CG 4.25Å; L1062-V1103 HydrophobicContact CB-CG1 4.24Å; L1062-V1103 HydrophobicContact CD2-CG1 4.39Å; L1062-I1105 HydrophobicContact CD2-CB 4.23Å; L1062-I1105 HydrophobicContact CD2-CD1 4.19Å; L1062-I1105 HydrophobicContact CD2-CG1 3.65Å; L1062-I1105 HydrophobicContact CD2-CG2 4.04Å; L1062-L1134 HydrophobicContact CD1-CD1 3.96Å; L1062-L1134 HydrophobicContact CD2-CD1 4.25Å
1063	V	86.3	Confident	68.1	Low	49 Å²	49	78.6 Å²	78.6	30%	0.297	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	125.8	179.4	-176.2	0	0	0	0	109.5	T1061 G1104 R1106	T1061-V1063 HydrophobicContact CG2-CG2 4.33Å; V1063-G1104 PolarHBondContact N-O 3.4Å; V1063-G1104 PolarHBondContact O-N 2.96Å; V1063-R1106 HydrophobicContact CG2-CG 4.38Å
1064	M	84.6	Confident	65.7	Low	31 Å²	31	80 Å²	80	15%	0.153	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	122.7	176.7	-155.5	167.4	-145	0	0	109.6	L156 I1036 F1040 F1100	L156-M1064 HydrophobicContact CD1-CE 3.87Å; I1036-M1064 HydrophobicContact CG2-CE 4.11Å; F1040-M1064 HydrophobicContact CD1-SD 4.39Å; F1040-M1064 HydrophobicContact CE1-CB 4.03Å; F1040-M1064 HydrophobicContact CE2-CB 4.28Å; F1040-M1064 HydrophobicContact CG-SD 4.41Å; F1040-M1064 HydrophobicContact CZ-CB 3.84Å; M1064-F1100 HydrophobicContact CE-CB 4.22Å; M1064-F1100 HydrophobicContact CE-CD1 4Å; M1064-F1100 HydrophobicContact CE-CD2 3.86Å; M1064-F1100 HydrophobicContact CE-CE1 4.36Å; M1064-F1100 HydrophobicContact CE-CE2 4.23Å; M1064-F1100 HydrophobicContact CE-CG 3.75Å; M1064-F1100 HydrophobicContact CE-CZ 4.49Å; M1064-F1100 HydrophobicContact CG-CD1 3.63Å; M1064-F1100 HydrophobicContact CG-CE1 4.09Å; M1064-F1100 HydrophobicContact CG-CG 4.19Å; M1064-F1100 HydrophobicContact SD-CD1 3.52Å; M1064-F1100 VanDerWaalsContact SD-CD1 3.52Å; M1064-F1100 HydrophobicContact SD-CD2 4.27Å; M1064-F1100 HydrophobicContact SD-CE1 3.51Å; M1064-F1100 VanDerWaalsContact SD-CE1 3.51Å; M1064-F1100 HydrophobicContact SD-CE2 4.28Å; M1064-F1100 HydrophobicContact SD-CG 3.92Å; M1064-F1100 HydrophobicContact SD-CZ 3.94Å
1065	K	82.6	Confident	63.4	Low	100 Å²	100	88.7 Å²	88.7	44%	0.435	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	129.7	174.1	-69.6	-175.5	173.5	170.8	0	109.4	D152 T1101 G1102	D152-K1065 WeakPolarHBondContact OD2-CD 3.35Å; D152-K1065 VanDerWaalsContact OD2-CE 3.3Å; D152-K1065 WeakPolarHBondContact OD2-CE 3.17Å; D152-K1065 IonicContact OD2-NZ 3.06Å; D152-K1065 PolarHBondContact OD2-NZ 3.43Å; K1065-T1101 PolarHBondContact O-N 2.71Å; K1065-T1101 PolarHBondContact O-OG1 2.73Å; K1065-G1102 PolarHBondContact N-O 3.15Å
1066	K	79.1	Confident	61	Low	132 Å²	132	94.5 Å²	94.5	57%	0.574	55%	0.549	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	147.6	167.8	-64.4	-177.1	178.1	-175	0	108.1	Q1099 F1100	K1066-Q1099 WeakPolarHBondContact CA-O 2.79Å; K1066-F1100 HydrophobicContact CG-CD1 4.02Å; K1066-F1100 HydrophobicContact CG-CE1 4.08Å
1067	G	59.1	Low	59.2	Low	39 Å²	39	98.6 Å²	98.6	40%	0.402	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-68.5	134	171.5	0	0	0	0	0	110.2	A1069 Q1099	G1067-A1069 PolarHBondContact O-N 3.44Å; G1067-Q1099 PolarHBondContact N-O 3.32Å
1068	D	46.7	Very low	57	Low	162 Å²	162	100.1 Å²	100.1	87%	0.866	57%	0.574	S	S	*	*			trans	-69.8	113.8	164.5	-73.1	-31.6	0	0	0	107.3	E1070	D1068-E1070 PolarHBondContact O-N 2.71Å
1069	A	40.9	Very low	54.7	Low	98 Å²	98	109.4 Å²	109.4	81%	0.81	62%	0.616	S	S	*	*			trans	-67.3	113.2	160.1	0	0	0	0	0	106.5	G1067 G1071	G1067-A1069 PolarHBondContact O-N 3.44Å; A1069-G1071 PolarHBondContact O-N 3.22Å
1070	E	34.2	Very low	52	Low	203 Å²	203	106.9 Å²	106.9	95%	0.949	63%	0.627	S	S	*	*	S	Bend	trans	-54.7	124.6	174.9	-78.7	-175.1	154.9	0	0	110.5	D1068	D1068-E1070 PolarHBondContact O-N 2.71Å
1071	G	35.4	Very low	49.3	Very low	69 Å²	69	110.6 Å²	110.6	71%	0.711	67%	0.665	S	S	*	*			trans	116.8	72.6	160.5	0	0	0	0	0	115.2	A1069	A1069-G1071 PolarHBondContact O-N 3.22Å
1072	S	30.5	Very low	46.7	Very low	124 Å²	124	113.1 Å²	113.1	87%	0.867	69%	0.69	S	S	*	*			trans	-169.7	123.7	142	-74.5	0	0	0	0	109.6
1073	Q	33.9	Very low	44.3	Very low	198 Å²	198	120.1 Å²	120.1	93%	0.925	73%	0.728	S	S	*	*			trans	-57.9	144.4	-178.6	-66.7	161.9	-32.5	0	0	112.5
1074	S	30.5	Very low	41.7	Very low	118 Å²	118	123.7 Å²	123.7	83%	0.825	76%	0.755	S	S	*	*			trans	-105	116.2	151.3	55.6	0	0	0	0	108.9
1075	Q	33.5	Very low	39.4	Very low	186 Å²	186	130.4 Å²	130.4	87%	0.869	79%	0.786	S	S	*	*			trans	-116.4	123.3	143.9	-102	-175.2	-13	0	0	107.8
1076	D	31.7	Very low	37.2	Very low	133 Å²	133	136.9 Å²	136.9	71%	0.711	81%	0.808	S	S	*	*			trans	53	122.7	151.5	-72.3	-13.3	0	0	0	123.5
1077	E	36.1	Very low	34.8	Very low	188 Å²	188	134.4 Å²	134.4	88%	0.879	82%	0.82	S	S	*	*				46.2	128.6	123.6	-56.6	-167.1	161.4	0	0	120.5
1078	G	27.3	Very low	33.9	Very low	79 Å²	79	138.8 Å²	138.8	81%	0.814	84%	0.844	S	S	*	*			trans	169.4	111.6	161.7	0	0	0	0	0	114
1079	E	32.1	Very low	33.3	Very low	204 Å²	204	134.9 Å²	134.9	95%	0.953	84%	0.842	S	S	*	*			trans	-59	160.5	174.7	-61.7	176.3	133.2	0	0	114.8
1080	G	26.9	Very low	33	Very low	79 Å²	79	135.6 Å²	135.6	81%	0.814	84%	0.841	S	S	*	*			trans	111.1	109	139.2	0	0	0	0	0	118.3
1081	G	28.9	Very low	33.1	Very low	78 Å²	78	135.2 Å²	135.2	80%	0.804	84%	0.839	S	S	*	*				65.6	110.4	122.8	0	0	0	0	0	121.9
1082	A	33.3	Very low	33.2	Very low	95 Å²	95	137 Å²	137	79%	0.785	84%	0.841	S	S	*	*			trans	67	125.5	133.5	0	0	0	0	0	122.5
1083	D	37.5	Very low	33.9	Very low	158 Å²	158	136.5 Å²	136.5	85%	0.845	84%	0.838	S	S	*	*			trans	56.2	115	146.2	-64.6	-16.2	0	0	0	121.5
1084	S	30.5	Very low	34.8	Very low	124 Å²	124	130.1 Å²	130.1	87%	0.867	81%	0.812	S	S	*	*				-177	135.6	111.6	36.1	0	0	0	0	112.5
1085	E	37.1	Very low	36.2	Very low	171 Å²	171	127 Å²	127	80%	0.799	79%	0.788	S	S	*	*			trans	-70.9	140.6	171.8	-65.1	-179.1	146.4	0	0	112.8
1086	R	36.4	Very low	37.4	Very low	236 Å²	236	119.8 Å²	119.8	89%	0.891	76%	0.759	S	S	*	*				139.3	125.1	125.5	-83.6	-179.7	-178	-164.7	-0.4	113.2
1087	G	27.8	Very low	38.8	Very low	80 Å²	80	113.5 Å²	113.5	83%	0.825	73%	0.725	S	S	*	*			trans	165.9	74.9	166.4	0	0	0	0	0	111.8	G1089	G1087-G1089 PolarHBondContact O-N 2.75Å
1088	S	40.6	Very low	40.1	Very low	132 Å²	132	110.1 Å²	110.1	92%	0.923	71%	0.713	S	S	*	*			trans	-62.9	121.2	175.5	54.4	0	0	0	0	111.5
1089	G	34.5	Very low	42	Very low	79 Å²	79	111 Å²	111	81%	0.814	70%	0.696	S	S	*	*			trans	161.6	56.9	171	0	0	0	0	0	114.4	G1087	G1087-G1089 PolarHBondContact O-N 2.75Å
1090	S	34.5	Very low	44.3	Very low	113 Å²	113	101.7 Å²	101.7	79%	0.79	65%	0.653	S	S	*	*			trans	-134.7	116.3	163.4	54.6	0	0	0	0	110	S1092	S1090-S1092 PolarHBondContact O-N 3.45Å
1091	Q	36.3	Very low	46.7	Very low	196 Å²	196	101.6 Å²	101.6	92%	0.916	64%	0.636	S	S	*	*			trans	-56.9	121.6	168.7	-79.8	173.7	-34.7	0	0	108.4	S1093	Q1091-S1093 PolarHBondContact O-N 3.34Å
1092	S	36.9	Very low	49.3	Very low	107 Å²	107	97.9 Å²	97.9	75%	0.748	60%	0.598	S	S	*	*			trans	-54.4	110.8	177.4	49.5	0	0	0	0	111.7	S1090 V1094	S1090-S1092 PolarHBondContact O-N 3.45Å; S1092-V1094 PolarHBondContact O-N 3.44Å
1093	S	46.1	Very low	51.8	Low	113 Å²	113	93.6 Å²	93.6	79%	0.79	56%	0.562	S	S	*	*			trans	-69.8	113.6	159.8	48.9	0	0	0	0	108.2	Q1091	Q1091-S1093 PolarHBondContact O-N 3.34Å
1094	V	52.5	Low	54	Low	64 Å²	64	86.4 Å²	86.4	39%	0.388	53%	0.526	S	S	.	.			trans	-62.6	129.6	173.4	-177.2	0	0	0	0	107.9	L1030 S1092 S1096	L1030-V1094 HydrophobicContact CD2-CG1 4.08Å; L1030-V1094 HydrophobicContact CG-CG1 4.14Å; S1092-V1094 PolarHBondContact O-N 3.44Å; V1094-S1096 PolarHBondContact O-N 2.78Å; V1094-S1096 VanDerWaalsContact O-N 3.1Å
1095	P	59.1	Low	56.7	Low	51 Å²	51	81 Å²	81	33%	0.331	49%	0.487	S	S	.	.			trans	-62.7	113.6	177.2	-13.9	25	0	0	0	109.9	Y1033	Y1033-P1095 HydrophobicContact CD1-CB 4.48Å; Y1033-P1095 HydrophobicContact CD2-CB 4.24Å; Y1033-P1095 HydrophobicContact CE1-CB 4.23Å; Y1033-P1095 HydrophobicContact CE2-CB 3.97Å; Y1033-P1095 HydrophobicContact CG-CB 4.5Å
1096	S	60.2	Low	59	Low	35 Å²	35	79.5 Å²	79.5	25%	0.245	47%	0.474	C	S	.	.			trans	-90.6	137.8	177	174.9	0	0	0	0	111.3	V1094 D1098 Q1099	V1094-S1096 PolarHBondContact O-N 2.78Å; V1094-S1096 VanDerWaalsContact O-N 3.1Å; S1096-D1098 PolarHBondContact O-N 2.88Å; S1096-D1098 PolarHBondContact OG-N 3.44Å; S1096-Q1099 WeakPolarHBondContact O-CG 3.01Å; S1096-Q1099 PolarHBondContact O-N 3.22Å
1097	V	59.9	Low	61.3	Low	1 Å²	1	68.2 Å²	68.2	1%	0.006	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-63.7	-17.7	175.7	176.5	0	0	0	0	112.3	R160 Y1033 I1036 Q1099 F1100	R160-V1097 PolarHBondContact NH2-O 2.79Å; Y1033-V1097 HydrophobicContact CD2-CG2 3.82Å; Y1033-V1097 HydrophobicContact CG-CG2 4.32Å; I1036-V1097 HydrophobicContact CD1-CB 4.48Å; I1036-V1097 HydrophobicContact CD1-CG1 3.5Å; I1036-V1097 HydrophobicContact CD1-CG2 4.11Å; V1097-Q1099 PolarHBondContact O-N 3.27Å; V1097-F1100 HydrophobicContact CG1-CD2 4.47Å; V1097-F1100 WeakPolarHBondContact O-CD2 3.37Å; V1097-F1100 PolarHBondContact O-N 3.24Å
1098	D	63.5	Low	64	Low	117 Å²	117	64.8 Å²	64.8	63%	0.626	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-74.2	-7.1	180	-62.4	-34.2	0	0	0	113.7	S1096 F1100	S1096-D1098 PolarHBondContact O-N 2.88Å; S1096-D1098 PolarHBondContact OG-N 3.44Å; D1098-F1100 PolarHBondContact O-N 2.67Å
1099	Q	67.6	Low	65.8	Low	98 Å²	98	60.5 Å²	60.5	46%	0.458	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-71.9	-16.4	174.2	-64.5	176.3	3.7	0	0	113.3	K1066 G1067 S1096 V1097	K1066-Q1099 WeakPolarHBondContact CA-O 2.79Å; G1067-Q1099 PolarHBondContact N-O 3.32Å; S1096-Q1099 WeakPolarHBondContact O-CG 3.01Å; S1096-Q1099 PolarHBondContact O-N 3.22Å; V1097-Q1099 PolarHBondContact O-N 3.27Å
1100	F	79.4	Confident	67.3	Low	9 Å²	9	62 Å²	62	4%	0.039	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	121.3	-179.2	-55.7	-61.8	0	0	0	111.4	L156 Y1033 M1064 K1066 V1097 D1098	L156-F1100 HydrophobicContact CD1-CB 4.48Å; L156-F1100 HydrophobicContact CD2-CB 3.98Å; L156-F1100 VanDerWaalsContact CD2-O 3.25Å; L156-F1100 WeakPolarHBondContact CD2-O 3.35Å; Y1033-F1100 HydrophobicContact CD2-CE2 4.15Å; Y1033-F1100 AromaticContact CE2-CE2 3.61Å; Y1033-F1100 HydrophobicContact CE2-CE2 3.61Å; Y1033-F1100 AromaticContact CE2-CZ 3.68Å; Y1033-F1100 HydrophobicContact CE2-CZ 3.68Å; M1064-F1100 HydrophobicContact CE-CB 4.22Å; M1064-F1100 HydrophobicContact CE-CD1 4Å; M1064-F1100 HydrophobicContact CE-CD2 3.86Å; M1064-F1100 HydrophobicContact CE-CE1 4.36Å; M1064-F1100 HydrophobicContact CE-CE2 4.23Å; M1064-F1100 HydrophobicContact CE-CG 3.75Å; M1064-F1100 HydrophobicContact CE-CZ 4.49Å; M1064-F1100 HydrophobicContact CG-CD1 3.63Å; M1064-F1100 HydrophobicContact CG-CE1 4.09Å; M1064-F1100 HydrophobicContact CG-CG 4.19Å; M1064-F1100 HydrophobicContact SD-CD1 3.52Å; M1064-F1100 VanDerWaalsContact SD-CD1 3.52Å; M1064-F1100 HydrophobicContact SD-CD2 4.27Å; M1064-F1100 HydrophobicContact SD-CE1 3.51Å; M1064-F1100 VanDerWaalsContact SD-CE1 3.51Å; M1064-F1100 HydrophobicContact SD-CE2 4.28Å; M1064-F1100 HydrophobicContact SD-CG 3.92Å; M1064-F1100 HydrophobicContact SD-CZ 3.94Å; K1066-F1100 HydrophobicContact CG-CD1 4.02Å; K1066-F1100 HydrophobicContact CG-CE1 4.08Å; V1097-F1100 HydrophobicContact CG1-CD2 4.47Å; V1097-F1100 WeakPolarHBondContact O-CD2 3.37Å; V1097-F1100 PolarHBondContact O-N 3.24Å; D1098-F1100 PolarHBondContact O-N 2.67Å
1101	T	78.9	Confident	68.5	Low	76 Å²	76	58.5 Å²	58.5	47%	0.466	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-23.9	-177.9	51.4	0	0	0	0	113	K1065	K1065-T1101 PolarHBondContact O-N 2.71Å; K1065-T1101 PolarHBondContact O-OG1 2.73Å
1102	G	82.6	Confident	69.5	Low	1 Å²	1	59.5 Å²	59.5	1%	0.01	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.6	173	177.9	0	0	0	0	0	114.8	D152 K1065	D152-G1102 WeakPolarHBondContact O-CA 3.36Å; K1065-G1102 PolarHBondContact N-O 3.15Å
1103	V	85.2	Confident	70.3	Confident	4 Å²	4	64 Å²	64	2%	0.024	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	113.7	172.1	177.9	0	0	0	0	109.3	D152 R155 L156 F1040 L1062	D152-V1103 PolarHBondContact O-N 3.22Å; R155-V1103 HydrophobicContact CB-CB 4.42Å; R155-V1103 PolarHBondContact NH1-O 3.39Å; L156-V1103 HydrophobicContact CB-CG2 4.15Å; L156-V1103 HydrophobicContact CD1-CG2 3.96Å; F1040-V1103 HydrophobicContact CD2-CG2 4.48Å; F1040-V1103 HydrophobicContact CE2-CG1 3.85Å; F1040-V1103 HydrophobicContact CE2-CG2 4.24Å; L1062-V1103 HydrophobicContact CB-CG1 4.24Å; L1062-V1103 HydrophobicContact CD2-CG1 4.39Å
1104	G	84.1	Confident	70.8	Confident	8 Å²	8	59.8 Å²	59.8	8%	0.082	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	153.1	175.2	0	0	0	0	0	112.3	V1063	V1063-G1104 PolarHBondContact N-O 3.4Å; V1063-G1104 PolarHBondContact O-N 2.96Å
1105	I	86.8	Confident	71.3	Confident	11 Å²	11	64.7 Å²	64.7	6%	0.056	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	128.1	176.6	-44	-177.5	0	0	0	109	F1047 L1062 V1107 M1119 V1130 L1134	F1047-I1105 HydrophobicContact CE1-CG2 3.76Å; F1047-I1105 HydrophobicContact CZ-CG2 3.78Å; L1062-I1105 HydrophobicContact CD2-CB 4.23Å; L1062-I1105 HydrophobicContact CD2-CD1 4.19Å; L1062-I1105 HydrophobicContact CD2-CG1 3.65Å; L1062-I1105 HydrophobicContact CD2-CG2 4.04Å; I1105-V1107 HydrophobicContact CG2-CG1 3.81Å; I1105-M1119 HydrophobicContact CB-CE 3.51Å; I1105-M1119 HydrophobicContact CB-CG 4.33Å; I1105-M1119 HydrophobicContact CD1-CE 4.14Å; I1105-M1119 HydrophobicContact CG1-CE 4.38Å; I1105-M1119 HydrophobicContact CG2-CE 3.31Å; I1105-V1130 HydrophobicContact CG2-CG1 4.26Å; I1105-L1134 HydrophobicContact CD1-CD2 4.09Å
1106	R	84.9	Confident	71.7	Confident	138 Å²	138	66.6 Å²	66.6	52%	0.521	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	126.9	174.4	-66.6	-175.3	-179	168.5	0.2	109.6	A1060 T1061 V1063 M1116	A1060-R1106 WeakPolarHBondContact CA-O 3.34Å; T1061-R1106 HydrophobicContact CG2-CB 4.14Å; T1061-R1106 PolarHBondContact N-O 2.71Å; T1061-R1106 PolarHBondContact O-N 3.15Å; V1063-R1106 HydrophobicContact CG2-CG 4.38Å; R1106-M1116 HydrophobicContact CB-CB 4.32Å; R1106-M1116 HydrophobicContact CB-SD 3.86Å
1107	V	86	Confident	72.3	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	149.3	-176.6	-50.1	0	0	0	0	112.4	K1059 A1060 I1105 F1109 M1116 R1117 M1119 L1122 V1130	K1059-V1107 CarbonylContact O-C 3.57Å; A1060-V1107 HydrophobicContact CB-CB 4.31Å; A1060-V1107 HydrophobicContact CB-CG1 3.79Å; I1105-V1107 HydrophobicContact CG2-CG1 3.81Å; V1107-F1109 HydrophobicContact CB-CE2 4.39Å; V1107-F1109 HydrophobicContact CG2-CD2 4.31Å; V1107-F1109 HydrophobicContact CG2-CE2 3.74Å; V1107-M1116 WeakPolarHBondContact O-CA 3.37Å; V1107-R1117 PolarHBondContact O-N 3.42Å; V1107-M1119 HydrophobicContact CG1-CE 3.47Å; V1107-M1119 VanDerWaalsContact CG1-CE 3.47Å; V1107-M1119 HydrophobicContact CG2-CE 4.23Å; V1107-L1122 HydrophobicContact CG2-CD1 3.49Å; V1107-L1122 VanDerWaalsContact CG2-CD1 3.49Å; V1107-L1122 HydrophobicContact CG2-CD2 3.95Å; V1107-L1122 HydrophobicContact CG2-CG 4.28Å; V1107-V1130 HydrophobicContact CG1-CG1 4.25Å; V1107-V1130 HydrophobicContact CG1-CG2 3.98Å; V1107-V1130 HydrophobicContact CG2-CG2 4.46Å
1108	S	83.8	Confident	72.9	Confident	8 Å²	8	77.5 Å²	77.5	6%	0.056	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	129.6	172.4	-178.7	0	0	0	0	109.7	G1058 K1059 G1114	G1058-S1108 CarbonylContact C-O 3.52Å; G1058-S1108 WeakPolarHBondContact CA-O 3.29Å; K1059-S1108 PolarHBondContact N-O 2.75Å; K1059-S1108 PolarHBondContact O-N 3.24Å; S1108-G1114 PolarHBondContact OG-O 2.62Å
1109	F	78.1	Confident	73.4	Confident	42 Å²	42	72.5 Å²	72.5	18%	0.184	36%	0.359	C	S	.	.	S	Bend	trans	-102.8	-12.7	-179	-71.2	-94.1	0	0	0	112.9	F1051 V1055 V1107 L1122 Q1126 L1129 V1130	F1051-F1109 HydrophobicContact CE2-CE1 4.1Å; F1051-F1109 HydrophobicContact CE2-CZ 4.03Å; F1051-F1109 HydrophobicContact CZ-CD1 4.15Å; F1051-F1109 AromaticContact CZ-CE1 3.7Å; F1051-F1109 HydrophobicContact CZ-CE1 3.7Å; F1051-F1109 HydrophobicContact CZ-CE2 4.25Å; F1051-F1109 AromaticContact CZ-CZ 3.75Å; F1051-F1109 HydrophobicContact CZ-CZ 3.75Å; V1055-F1109 HydrophobicContact CG1-CD1 4.17Å; V1055-F1109 HydrophobicContact CG2-CD1 4.27Å; V1055-F1109 HydrophobicContact CG2-CE1 4.14Å; V1107-F1109 HydrophobicContact CB-CE2 4.39Å; V1107-F1109 HydrophobicContact CG2-CD2 4.31Å; V1107-F1109 HydrophobicContact CG2-CE2 3.74Å; F1109-L1122 HydrophobicContact CD2-CD2 4.1Å; F1109-L1122 HydrophobicContact CE2-CD1 4.27Å; F1109-L1122 HydrophobicContact CE2-CD2 3.74Å; F1109-Q1126 HydrophobicContact CD1-CG 4.22Å; F1109-Q1126 HydrophobicContact CD2-CG 4.36Å; F1109-Q1126 HydrophobicContact CE1-CB 4.14Å; F1109-Q1126 HydrophobicContact CE1-CG 3.85Å; F1109-Q1126 HydrophobicContact CE2-CB 3.91Å; F1109-Q1126 HydrophobicContact CE2-CG 4.01Å; F1109-Q1126 HydrophobicContact CG-CG 4.46Å; F1109-Q1126 HydrophobicContact CZ-CB 3.58Å; F1109-Q1126 HydrophobicContact CZ-CG 3.74Å; F1109-L1129 HydrophobicContact CE1-CD2 4.25Å; F1109-V1130 HydrophobicContact CE2-CG2 4.4Å; F1109-V1130 HydrophobicContact CZ-CG2 3.9Å
1110	T	67.7	Low	73.8	Confident	110 Å²	110	74.5 Å²	74.5	68%	0.675	37%	0.368	S	S	*	.	S	Bend	trans	-121.1	81.7	-173	55.6	0	0	0	0	111.3
1111	G	59.6	Low	73.6	Confident	39 Å²	39	80.2 Å²	80.2	40%	0.402	40%	0.395	S	S	.	.			trans	75.9	163.3	167.3	0	0	0	0	0	116.8	G1057 Q1113 G1114	G1057-G1111 PolarHBondContact O-N 2.74Å; G1111-Q1113 PolarHBondContact O-N 3.43Å; G1111-Q1113 VanDerWaalsContact O-N 3.08Å; G1111-G1114 PolarHBondContact O-N 2.63Å
1112	K	56.2	Low	73.6	Confident	217 Å²	217	77.1 Å²	77.1	94%	0.943	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-13.6	-172	-66	-179.7	-179.6	177.5	0	115.3
1113	Q	54.2	Low	73.4	Confident	201 Å²	201	80 Å²	80	94%	0.939	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.6	6.1	-179.8	-87.1	-174.5	-25.4	0	0	114.2	G1111	G1111-Q1113 PolarHBondContact O-N 3.43Å; G1111-Q1113 VanDerWaalsContact O-N 3.08Å
1114	G	56.9	Low	72.8	Confident	26 Å²	26	81.9 Å²	81.9	27%	0.268	42%	0.415	S	S	.	.	S	Bend	trans	-69.8	145.1	-179.7	0	0	0	0	0	113.3	S1108 G1111 M1116	S1108-G1114 PolarHBondContact OG-O 2.62Å; G1111-G1114 PolarHBondContact O-N 2.63Å; G1114-M1116 PolarHBondContact O-N 3.33Å
1115	E	62.1	Low	72.4	Confident	166 Å²	166	82.8 Å²	82.8	78%	0.776	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-52.5	126.4	176.4	-73.1	179.6	160.1	0	0	111.6	R1117	E1115-R1117 PolarHBondContact O-N 3.49Å
1116	M	67.6	Low	72.1	Confident	91 Å²	91	85.1 Å²	85.1	45%	0.448	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-72.8	117.3	175.3	-68.6	-172.8	178.1	0	0	109.4	R1106 V1107 G1114	R1106-M1116 HydrophobicContact CB-CB 4.32Å; R1106-M1116 HydrophobicContact CB-SD 3.86Å; V1107-M1116 WeakPolarHBondContact O-CA 3.37Å; G1114-M1116 PolarHBondContact O-N 3.33Å
1117	R	72.7	Confident	72	Confident	131 Å²	131	80.3 Å²	80.3	49%	0.494	42%	0.419	S	S	.	.	B	Isolated β-bridge	trans	-92.5	150.3	-179	-64.3	-174.9	-178.6	-179.9	-0.1	111.3	V1107 E1115 L1122	V1107-R1117 PolarHBondContact O-N 3.42Å; E1115-R1117 PolarHBondContact O-N 3.49Å; R1117-L1122 HydrophobicContact CB-CD2 4.43Å
1118	E	72.8	Confident	71.7	Confident	134 Å²	134	80.4 Å²	80.4	63%	0.626	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-76.8	155.2	170.4	-65.1	-161.6	154.4	0	0	111.5	Q1120 Q1121	E1118-Q1120 PolarHBondContact O-N 3.37Å; E1118-Q1120 VanDerWaalsContact O-N 3.08Å; E1118-Q1121 PolarHBondContact O-N 2.7Å; E1118-Q1121 VanDerWaalsContact O-N 3.13Å
1119	M	74.3	Confident	71.7	Confident	12 Å²	12	80.2 Å²	80.2	6%	0.059	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-54.2	-33.3	-175.2	-80.6	-62.6	150.4	0	0	114.5	I1105 V1107 Q1121 L1122 K1127 V1130	I1105-M1119 HydrophobicContact CB-CE 3.51Å; I1105-M1119 HydrophobicContact CB-CG 4.33Å; I1105-M1119 HydrophobicContact CD1-CE 4.14Å; I1105-M1119 HydrophobicContact CG1-CE 4.38Å; I1105-M1119 HydrophobicContact CG2-CE 3.31Å; V1107-M1119 HydrophobicContact CG1-CE 3.47Å; V1107-M1119 VanDerWaalsContact CG1-CE 3.47Å; V1107-M1119 HydrophobicContact CG2-CE 4.23Å; M1119-Q1121 PolarHBondContact O-N 2.76Å; M1119-L1122 HydrophobicContact CE-CD1 4.15Å; M1119-L1122 PolarHBondContact O-N 2.79Å; M1119-L1122 HydrophobicContact SD-CD1 3.65Å; M1119-K1127 WeakPolarHBondContact O-CE 3.15Å; M1119-V1130 HydrophobicContact CE-CB 4.08Å; M1119-V1130 HydrophobicContact CE-CG1 3.21Å; M1119-V1130 HydrophobicContact CE-CG2 4.1Å; M1119-V1130 HydrophobicContact SD-CG1 4.06Å
1120	Q	75.1	Confident	72	Confident	141 Å²	141	78.2 Å²	78.2	66%	0.659	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-65.3	-29.7	-175.6	-144.5	67.7	-3.9	0	0	112.5	E1118 L1122 K1127	E1118-Q1120 PolarHBondContact O-N 3.37Å; E1118-Q1120 VanDerWaalsContact O-N 3.08Å; Q1120-L1122 PolarHBondContact O-N 2.68Å; Q1120-K1127 PolarHBondContact O-NZ 3.41Å; Q1120-K1127 VanDerWaalsContact O-NZ 3.14Å
1121	Q	75.6	Confident	72.7	Confident	128 Å²	128	73.1 Å²	73.1	60%	0.598	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-87.6	2.6	-172.5	-60	174.6	-8.6	0	0	114.2	E1118 M1119	E1118-Q1121 PolarHBondContact O-N 2.7Å; E1118-Q1121 VanDerWaalsContact O-N 3.13Å; M1119-Q1121 PolarHBondContact O-N 2.76Å
1122	L	78.5	Confident	73.8	Confident	12 Å²	12	71.2 Å²	71.2	6%	0.063	36%	0.358	C	S	.	.	S	Bend	trans	-92.5	154.2	-177.7	-60.8	173.1	0	0	0	112.9	V1107 F1109 R1117 M1119 Q1120 Q1126 K1127 V1130	V1107-L1122 HydrophobicContact CG2-CD1 3.49Å; V1107-L1122 VanDerWaalsContact CG2-CD1 3.49Å; V1107-L1122 HydrophobicContact CG2-CD2 3.95Å; V1107-L1122 HydrophobicContact CG2-CG 4.28Å; F1109-L1122 HydrophobicContact CD2-CD2 4.1Å; F1109-L1122 HydrophobicContact CE2-CD1 4.27Å; F1109-L1122 HydrophobicContact CE2-CD2 3.74Å; R1117-L1122 HydrophobicContact CB-CD2 4.43Å; M1119-L1122 HydrophobicContact CE-CD1 4.15Å; M1119-L1122 PolarHBondContact O-N 2.79Å; M1119-L1122 HydrophobicContact SD-CD1 3.65Å; Q1120-L1122 PolarHBondContact O-N 2.68Å; L1122-Q1126 HydrophobicContact CB-CB 4.15Å; L1122-K1127 HydrophobicContact CB-CG 3.85Å; L1122-K1127 WeakPolarHBondContact O-CE 3.49Å; L1122-K1127 PolarHBondContact O-NZ 3.28Å; L1122-V1130 HydrophobicContact CD1-CG2 4.47Å
1123	S	78.1	Confident	75.2	Confident	61 Å²	61	60.9 Å²	60.9	43%	0.427	31%	0.313	S	S	.	.			trans	-70.7	161.3	173.5	78.8	0	0	0	0	112	G1125 Q1126 K1127	S1123-G1125 VanDerWaalsContact C-N 3.34Å; S1123-G1125 PolarHBondContact O-N 2.85Å; S1123-Q1126 PolarHBondContact O-N 3.05Å; S1123-Q1126 VanDerWaalsContact OG-CG 3.31Å; S1123-Q1126 WeakPolarHBondContact OG-CG 3.07Å; S1123-Q1126 PolarHBondContact OG-N 3.38Å; S1123-K1127 WeakPolarHBondContact O-CG 3.11Å; S1123-K1127 PolarHBondContact O-N 3.48Å
1124	G	73.1	Confident	76.6	Confident	43 Å²	43	52.2 Å²	52.2	44%	0.443	27%	0.273	S	S	.	.	H	α-helix	trans	-58.7	-40.1	-179.8	0	0	0	0	0	114	K1127 S1128	G1124-K1127 PolarHBondContact O-N 3.17Å; G1124-S1128 PolarHBondContact O-N 3.38Å; G1124-S1128 PolarHBondContact O-OG 3.2Å
1125	G	75.5	Confident	77.8	Confident	28 Å²	28	51.3 Å²	51.3	29%	0.289	26%	0.262	S	S	.	.	H	α-helix	trans	-68	-39.5	175	0	0	0	0	0	112.8	S1123 S1128 L1129 A1155	S1123-G1125 VanDerWaalsContact C-N 3.34Å; S1123-G1125 PolarHBondContact O-N 2.85Å; G1125-S1128 PolarHBondContact O-N 2.97Å; G1125-L1129 PolarHBondContact O-N 2.8Å; G1125-A1155 WeakPolarHBondContact CA-O 3.38Å
1126	Q	81.6	Confident	78.9	Confident	60 Å²	60	43.4 Å²	43.4	28%	0.28	23%	0.225	S	C	.	.	H	α-helix	trans	-65.2	-41.5	174.8	-74.2	173.2	-14	0	0	112.1	F1109 L1122 S1123 S1128 L1129 V1130	F1109-Q1126 HydrophobicContact CD1-CG 4.22Å; F1109-Q1126 HydrophobicContact CD2-CG 4.36Å; F1109-Q1126 HydrophobicContact CE1-CB 4.14Å; F1109-Q1126 HydrophobicContact CE1-CG 3.85Å; F1109-Q1126 HydrophobicContact CE2-CB 3.91Å; F1109-Q1126 HydrophobicContact CE2-CG 4.01Å; F1109-Q1126 HydrophobicContact CG-CG 4.46Å; F1109-Q1126 HydrophobicContact CZ-CB 3.58Å; F1109-Q1126 HydrophobicContact CZ-CG 3.74Å; L1122-Q1126 HydrophobicContact CB-CB 4.15Å; S1123-Q1126 PolarHBondContact O-N 3.05Å; S1123-Q1126 VanDerWaalsContact OG-CG 3.31Å; S1123-Q1126 WeakPolarHBondContact OG-CG 3.07Å; S1123-Q1126 PolarHBondContact OG-N 3.38Å; Q1126-S1128 VanDerWaalsContact C-N 3.35Å; Q1126-L1129 PolarHBondContact O-N 3.11Å; Q1126-V1130 WeakPolarHBondContact O-CG2 3.13Å; Q1126-V1130 PolarHBondContact O-N 3.44Å
1127	K	82.1	Confident	79.7	Confident	37 Å²	37	39 Å²	39	16%	0.161	20%	0.204	C	C	.	.	H	α-helix	trans	-61.2	-43.6	174.3	-74	169.2	171.8	155.3	0	111.5	A148 T149 M1119 Q1120 L1122 S1123 G1124 L1129 V1130 A1131	A148-K1127 HydrophobicContact CB-CB 4.28Å; T149-K1127 HydrophobicContact CG2-CD 4.43Å; M1119-K1127 WeakPolarHBondContact O-CE 3.15Å; Q1120-K1127 PolarHBondContact O-NZ 3.41Å; Q1120-K1127 VanDerWaalsContact O-NZ 3.14Å; L1122-K1127 HydrophobicContact CB-CG 3.85Å; L1122-K1127 WeakPolarHBondContact O-CE 3.49Å; L1122-K1127 PolarHBondContact O-NZ 3.28Å; S1123-K1127 WeakPolarHBondContact O-CG 3.11Å; S1123-K1127 PolarHBondContact O-N 3.48Å; G1124-K1127 PolarHBondContact O-N 3.17Å; K1127-L1129 VanDerWaalsContact C-N 3.33Å; K1127-L1129 PolarHBondContact O-N 3.29Å; K1127-V1130 PolarHBondContact O-N 3.31Å; K1127-A1131 WeakPolarHBondContact O-CB 3.46Å; K1127-A1131 PolarHBondContact O-N 3.35Å
1128	S	80.1	Confident	80.1	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.007	18%	0.183	C	C	.	.	H	α-helix	trans	-62	-41.2	176.7	-61	0	0	0	0	111.6	N145 G1124 G1125 Q1126 A1131 L1132	N145-S1128 PolarHBondContact OD1-OG 3.46Å; G1124-S1128 PolarHBondContact O-N 3.38Å; G1124-S1128 PolarHBondContact O-OG 3.2Å; G1125-S1128 PolarHBondContact O-N 2.97Å; Q1126-S1128 VanDerWaalsContact C-N 3.35Å; S1128-A1131 PolarHBondContact O-N 3.47Å; S1128-L1132 WeakPolarHBondContact O-CG 3.06Å; S1128-L1132 PolarHBondContact O-N 3.14Å
1129	L	83.2	Confident	80.4	Confident	4 Å²	4	27.1 Å²	27.1	2%	0.021	15%	0.154	C	C	.	.	H	α-helix	trans	-68.3	-39.9	178.7	-163.9	70.3	0	0	0	112.9	L1054 V1055 F1109 G1125 Q1126 K1127 L1132 A1133 L1156 H1160	L1054-L1129 HydrophobicContact CB-CD1 4.45Å; L1054-L1129 HydrophobicContact CD1-CD1 4.4Å; V1055-L1129 HydrophobicContact CG2-CD2 3.21Å; V1055-L1129 HydrophobicContact CG2-CG 4.36Å; F1109-L1129 HydrophobicContact CE1-CD2 4.25Å; G1125-L1129 PolarHBondContact O-N 2.8Å; Q1126-L1129 PolarHBondContact O-N 3.11Å; K1127-L1129 VanDerWaalsContact C-N 3.33Å; K1127-L1129 PolarHBondContact O-N 3.29Å; L1129-L1132 PolarHBondContact O-N 3.2Å; L1129-A1133 WeakPolarHBondContact O-CB 3.47Å; L1129-A1133 PolarHBondContact O-N 3.48Å; L1129-L1156 HydrophobicContact CB-CD2 4.41Å; L1129-L1156 HydrophobicContact CD1-CD2 4.11Å; L1129-H1160 HydrophobicContact CD1-CB 4.26Å
1130	V	85.3	Confident	80.7	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.006	16%	0.164	C	C	.	.	H	α-helix	trans	-64.5	-43.3	173.5	174.6	0	0	0	0	110.6	F1047 F1051 I1105 V1107 F1109 M1119 L1122 Q1126 K1127 L1132 A1133 L1134	F1047-V1130 HydrophobicContact CE2-CG1 4.31Å; F1047-V1130 HydrophobicContact CZ-CG1 3.91Å; F1051-V1130 HydrophobicContact CD2-CG2 4.49Å; F1051-V1130 HydrophobicContact CE2-CG2 3.73Å; F1051-V1130 HydrophobicContact CZ-CG2 4.48Å; I1105-V1130 HydrophobicContact CG2-CG1 4.26Å; V1107-V1130 HydrophobicContact CG1-CG1 4.25Å; V1107-V1130 HydrophobicContact CG1-CG2 3.98Å; V1107-V1130 HydrophobicContact CG2-CG2 4.46Å; F1109-V1130 HydrophobicContact CE2-CG2 4.4Å; F1109-V1130 HydrophobicContact CZ-CG2 3.9Å; M1119-V1130 HydrophobicContact CE-CB 4.08Å; M1119-V1130 HydrophobicContact CE-CG1 3.21Å; M1119-V1130 HydrophobicContact CE-CG2 4.1Å; M1119-V1130 HydrophobicContact SD-CG1 4.06Å; L1122-V1130 HydrophobicContact CD1-CG2 4.47Å; Q1126-V1130 WeakPolarHBondContact O-CG2 3.13Å; Q1126-V1130 PolarHBondContact O-N 3.44Å; K1127-V1130 PolarHBondContact O-N 3.31Å; V1130-L1132 PolarHBondContact O-N 3.37Å; V1130-A1133 PolarHBondContact O-N 3.31Å; V1130-L1134 WeakPolarHBondContact O-CB 3.23Å; V1130-L1134 PolarHBondContact O-N 2.75Å
1131	A	81.9	Confident	80.8	Confident	2 Å²	2	23.8 Å²	23.8	2%	0.017	14%	0.14	C	C	.	.	H	α-helix	trans	-59.9	-46.1	176.2	0	0	0	0	0	111.6	I144 A148 K1127 S1128 A1133 L1134 I1135	I144-A1131 HydrophobicContact CG1-CB 3.76Å; I144-A1131 VanDerWaalsContact O-CB 3.25Å; I144-A1131 WeakPolarHBondContact O-CB 3.11Å; A148-A1131 HydrophobicContact CB-CB 4.14Å; K1127-A1131 WeakPolarHBondContact O-CB 3.46Å; K1127-A1131 PolarHBondContact O-N 3.35Å; S1128-A1131 PolarHBondContact O-N 3.47Å; A1131-A1133 PolarHBondContact O-N 3.42Å; A1131-L1134 PolarHBondContact O-N 3.26Å; A1131-I1135 VanDerWaalsContact O-CG1 3.24Å; A1131-I1135 WeakPolarHBondContact O-CG1 3.44Å; A1131-I1135 PolarHBondContact O-N 3.38Å
1132	L	82.6	Confident	80.8	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60.3	-45.2	175.3	-76.2	168.4	0	0	0	112	I144 S1128 L1129 V1130 L1134 I1135 F1136 I1152 L1156	I144-L1132 HydrophobicContact CD1-CD1 4.24Å; I144-L1132 HydrophobicContact CD1-CD2 3.52Å; I144-L1132 HydrophobicContact CD1-CG 3.55Å; S1128-L1132 WeakPolarHBondContact O-CG 3.06Å; S1128-L1132 PolarHBondContact O-N 3.14Å; L1129-L1132 PolarHBondContact O-N 3.2Å; V1130-L1132 PolarHBondContact O-N 3.37Å; L1132-L1134 VanDerWaalsContact C-N 3.27Å; L1132-L1134 PolarHBondContact O-N 3.35Å; L1132-I1135 PolarHBondContact O-N 2.87Å; L1132-F1136 HydrophobicContact CB-CD2 4.41Å; L1132-F1136 HydrophobicContact CB-CE2 4.26Å; L1132-F1136 HydrophobicContact CD2-CE2 4.29Å; L1132-F1136 WeakPolarHBondContact O-CD2 3.49Å; L1132-F1136 WeakPolarHBondContact O-CG 3.45Å; L1132-F1136 PolarHBondContact O-N 2.89Å; L1132-I1152 HydrophobicContact CD2-CB 4.38Å; L1132-I1152 HydrophobicContact CD2-CD1 4.02Å; L1132-L1156 HydrophobicContact CD1-CD1 3.68Å; L1132-L1156 HydrophobicContact CD1-CD2 4.39Å; L1132-L1156 HydrophobicContact CD1-CG 4.46Å
1133	A	85.8	Confident	80.7	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.1	-38.9	176.9	0	0	0	0	0	112	F1047 V1050 F1051 L1054 L1129 V1130 A1131 A1137	F1047-A1133 HydrophobicContact CD2-CB 4.19Å; F1047-A1133 HydrophobicContact CE2-CB 3.89Å; V1050-A1133 HydrophobicContact CG1-CB 4.07Å; F1051-A1133 HydrophobicContact CB-CB 4.15Å; F1051-A1133 HydrophobicContact CD2-CB 3.95Å; L1054-A1133 HydrophobicContact CD1-CB 4.05Å; L1129-A1133 WeakPolarHBondContact O-CB 3.47Å; L1129-A1133 PolarHBondContact O-N 3.48Å; V1130-A1133 PolarHBondContact O-N 3.31Å; A1131-A1133 PolarHBondContact O-N 3.42Å; A1133-A1137 WeakPolarHBondContact O-CB 3.25Å; A1133-A1137 PolarHBondContact O-N 3.13Å
1134	L	84.3	Confident	80.6	Confident	18 Å²	18	20 Å²	20	9%	0.094	12%	0.122	C	C	.	.	H	α-helix	trans	-68.3	-42	176.7	-175.2	61.5	0	0	0	112.1	V1043 F1047 L1062 I1105 V1130 A1131 L1132 A1137 I1138	V1043-L1134 HydrophobicContact CG1-CD1 4.5Å; F1047-L1134 HydrophobicContact CD2-CB 4.01Å; F1047-L1134 HydrophobicContact CD2-CD1 4.02Å; F1047-L1134 HydrophobicContact CE2-CB 3.79Å; F1047-L1134 HydrophobicContact CE2-CD1 4.31Å; F1047-L1134 HydrophobicContact CG-CD1 4.46Å; L1062-L1134 HydrophobicContact CD1-CD1 3.96Å; L1062-L1134 HydrophobicContact CD2-CD1 4.25Å; I1105-L1134 HydrophobicContact CD1-CD2 4.09Å; V1130-L1134 WeakPolarHBondContact O-CB 3.23Å; V1130-L1134 PolarHBondContact O-N 2.75Å; A1131-L1134 PolarHBondContact O-N 3.26Å; L1132-L1134 VanDerWaalsContact C-N 3.27Å; L1132-L1134 PolarHBondContact O-N 3.35Å; L1134-A1137 PolarHBondContact O-N 3.3Å; L1134-I1138 HydrophobicContact CD1-CD1 4.45Å; L1134-I1138 HydrophobicContact CG-CD1 4.25Å; L1134-I1138 WeakPolarHBondContact O-CG1 3.12Å; L1134-I1138 PolarHBondContact O-N 2.66Å
1135	I	82.8	Confident	80.8	Confident	7 Å²	7	18.3 Å²	18.3	4%	0.036	10%	0.104	C	C	.	.	H	α-helix	trans	-61	-54.2	175.6	-65.8	162.6	0	0	0	109.5	V139 M147 A1131 L1132 A1137 I1138 Q1139 F1149	V139-I1135 HydrophobicContact CG2-CD1 3.9Å; M147-I1135 HydrophobicContact CE-CD1 3.31Å; M147-I1135 HydrophobicContact CE-CG1 3.6Å; A1131-I1135 VanDerWaalsContact O-CG1 3.24Å; A1131-I1135 WeakPolarHBondContact O-CG1 3.44Å; A1131-I1135 PolarHBondContact O-N 3.38Å; L1132-I1135 PolarHBondContact O-N 2.87Å; I1135-A1137 PolarHBondContact O-N 2.84Å; I1135-I1138 PolarHBondContact O-N 3.39Å; I1135-I1138 VanDerWaalsContact O-N 3.11Å; I1135-Q1139 HydrophobicContact CG2-CG 4.22Å; I1135-Q1139 VanDerWaalsContact O-CG 3.23Å; I1135-Q1139 WeakPolarHBondContact O-CG 3.15Å; I1135-Q1139 PolarHBondContact O-N 3.27Å; I1135-F1149 HydrophobicContact CG2-CE1 4.43Å; I1135-F1149 HydrophobicContact CG2-CZ 4.46Å
1136	F	83.4	Confident	81.4	Confident	0 Å²	0	17 Å²	17	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-60.5	-32.7	179.4	-71.1	-50.3	0	0	0	112.8	V1050 L1132 Q1139 K1140 F1149 V1164 I1169 L1172 F1178	V1050-F1136 HydrophobicContact CG1-CB 3.83Å; L1132-F1136 HydrophobicContact CB-CD2 4.41Å; L1132-F1136 HydrophobicContact CB-CE2 4.26Å; L1132-F1136 HydrophobicContact CD2-CE2 4.29Å; L1132-F1136 WeakPolarHBondContact O-CD2 3.49Å; L1132-F1136 WeakPolarHBondContact O-CG 3.45Å; L1132-F1136 PolarHBondContact O-N 2.89Å; F1136-Q1139 VanDerWaalsContact CD1-OE1 3.23Å; F1136-Q1139 PolarHBondContact O-N 2.88Å; F1136-K1140 PolarHBondContact O-N 3.11Å; F1136-F1149 AromaticContact CE1-CE2 3.84Å; F1136-F1149 HydrophobicContact CE1-CE2 3.84Å; F1136-F1149 AromaticContact CE1-CZ 3.95Å; F1136-F1149 HydrophobicContact CE1-CZ 3.95Å; F1136-F1149 AromaticContact CZ-CE2 4Å; F1136-F1149 HydrophobicContact CZ-CE2 4Å; F1136-F1149 HydrophobicContact CZ-CZ 4.34Å; F1136-V1164 HydrophobicContact CE2-CG1 4.28Å; F1136-V1164 HydrophobicContact CZ-CG1 4.39Å; F1136-I1169 HydrophobicContact CE1-CG1 4.46Å; F1136-I1169 HydrophobicContact CZ-CG1 4.13Å; F1136-L1172 HydrophobicContact CB-CD1 4.5Å; F1136-L1172 HydrophobicContact CD1-CD1 3.44Å; F1136-L1172 VanDerWaalsContact CD1-CD1 3.44Å; F1136-L1172 HydrophobicContact CE1-CD1 3.93Å; F1136-L1172 HydrophobicContact CG-CD1 4.21Å; F1136-F1178 HydrophobicContact CE1-CE1 4.41Å
1137	A	85.3	Confident	81.6	Confident	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-67.3	-41.2	174.9	0	0	0	0	0	113.4	N1046 F1047 A1133 L1134 I1135 C1141	N1046-A1137 HydrophobicContact CB-CB 4.01Å; F1047-A1137 VanDerWaalsContact CA-CB 3.41Å; F1047-A1137 HydrophobicContact CB-CB 3.7Å; F1047-A1137 HydrophobicContact CD2-CB 4.32Å; A1133-A1137 WeakPolarHBondContact O-CB 3.25Å; A1133-A1137 PolarHBondContact O-N 3.13Å; L1134-A1137 PolarHBondContact O-N 3.3Å; I1135-A1137 PolarHBondContact O-N 2.84Å; A1137-C1141 PolarHBondContact O-N 2.76Å
1138	I	81.7	Confident	81.9	Confident	10 Å²	10	12.6 Å²	12.6	5%	0.051	7%	0.07	C	C	.	.	H	α-helix	trans	-64.5	-44.7	172.6	-69	168.4	0	0	0	109.4	Y136 L158 V162 V1043 L1134 I1135 K1140 C1141 D1142	Y136-I1138 HydrophobicContact CD2-CG2 4.12Å; Y136-I1138 HydrophobicContact CE2-CG2 4.31Å; Y136-I1138 HydrophobicContact CG-CG2 4.34Å; L158-I1138 HydrophobicContact CD2-CD1 4.15Å; V162-I1138 HydrophobicContact CG1-CG2 4.1Å; V162-I1138 HydrophobicContact CG2-CG2 3.7Å; V1043-I1138 HydrophobicContact CG1-CG1 4Å; L1134-I1138 HydrophobicContact CD1-CD1 4.45Å; L1134-I1138 HydrophobicContact CG-CD1 4.25Å; L1134-I1138 WeakPolarHBondContact O-CG1 3.12Å; L1134-I1138 PolarHBondContact O-N 2.66Å; I1135-I1138 PolarHBondContact O-N 3.39Å; I1135-I1138 VanDerWaalsContact O-N 3.11Å; I1138-K1140 PolarHBondContact O-N 2.71Å; I1138-C1141 WeakPolarHBondContact O-CA 3.19Å; I1138-C1141 WeakPolarHBondContact O-CB 3.43Å; I1138-C1141 PolarHBondContact O-N 2.69Å; I1138-D1142 PolarHBondContact O-N 3.27Å
1139	Q	78.9	Confident	82.3	Confident	4 Å²	4	12.6 Å²	12.6	2%	0.019	7%	0.07	C	C	.	.	H	α-helix	trans	-61.4	-39.6	178.2	-68.1	-178.1	-8.4	0	0	113.2	I1135 F1136 C1141 D1142 P1143 Y1147	I1135-Q1139 HydrophobicContact CG2-CG 4.22Å; I1135-Q1139 VanDerWaalsContact O-CG 3.23Å; I1135-Q1139 WeakPolarHBondContact O-CG 3.15Å; I1135-Q1139 PolarHBondContact O-N 3.27Å; F1136-Q1139 VanDerWaalsContact CD1-OE1 3.23Å; F1136-Q1139 PolarHBondContact O-N 2.88Å; Q1139-C1141 PolarHBondContact O-N 2.7Å; Q1139-D1142 CarbonylContact O-C 3.55Å; Q1139-P1143 WeakPolarHBondContact O-CA 3.46Å; Q1139-Y1147 HydrophobicContact CB-CE1 4.33Å; Q1139-Y1147 HydrophobicContact CB-CE2 4.44Å; Q1139-Y1147 VanDerWaalsContact CB-OH 3.29Å; Q1139-Y1147 WeakPolarHBondContact CB-OH 3.28Å; Q1139-Y1147 VanDerWaalsContact CD-CZ 3.43Å; Q1139-Y1147 HydrophobicContact CG-CD1 4.23Å; Q1139-Y1147 HydrophobicContact CG-CE1 3.42Å; Q1139-Y1147 VanDerWaalsContact CG-CE1 3.42Å; Q1139-Y1147 HydrophobicContact CG-CE2 4.21Å; Q1139-Y1147 VanDerWaalsContact CG-OH 3.3Å; Q1139-Y1147 WeakPolarHBondContact CG-OH 3.35Å
1140	K	79.6	Confident	82.5	Confident	61 Å²	61	12.8 Å²	12.8	27%	0.265	7%	0.071	S	C	.	.	H	α-helix	trans	-67.9	-23.5	173.3	-79.5	-163.7	169.2	-162.1	0	113	V1050 F1136 I1138 E1171 L1172	V1050-K1140 HydrophobicContact CG2-CD 4.18Å; F1136-K1140 PolarHBondContact O-N 3.11Å; I1138-K1140 PolarHBondContact O-N 2.71Å; K1140-E1171 IonicContact NZ-OE1 3.83Å; K1140-E1171 PolarHBondContact NZ-OE1 3.22Å; K1140-L1172 HydrophobicContact CD-CD2 4.42Å; K1140-L1172 HydrophobicContact CG-CD2 3.79Å
1141	C	78.8	Confident	82.4	Confident	23 Å²	23	13.7 Å²	13.7	16%	0.155	8%	0.075	C	C	.	.	H	α-helix	trans	-85.3	-42.7	178.3	-169.1	0	0	0	0	111.8	Q1042 V1043 A1137 I1138 Q1139	Q1042-C1141 HydrophobicContact CG-CB 4.46Å; Q1042-C1141 VanDerWaalsContact CG-SG 3.57Å; V1043-C1141 HydrophobicContact CG2-CB 3.87Å; A1137-C1141 PolarHBondContact O-N 2.76Å; I1138-C1141 WeakPolarHBondContact O-CA 3.19Å; I1138-C1141 WeakPolarHBondContact O-CB 3.43Å; I1138-C1141 PolarHBondContact O-N 2.69Å; Q1139-C1141 PolarHBondContact O-N 2.7Å
1142	D	75.1	Confident	82.3	Confident	50 Å²	50	14 Å²	14	27%	0.267	8%	0.077	S	C	.	.	S	Bend	trans	-133	94.2	179.9	-178.3	31.3	0	0	0	109.2	Y136 V162 I1138 Q1139 A1144	Y136-D1142 PolarHBondContact OH-OD2 2.76Å; V162-D1142 HydrophobicContact CG1-CB 4.18Å; I1138-D1142 PolarHBondContact O-N 3.27Å; Q1139-D1142 CarbonylContact O-C 3.55Å; D1142-A1144 PolarHBondContact O-N 2.83Å
1143	P	75.3	Confident	82	Confident	68 Å²	68	14.5 Å²	14.5	44%	0.442	8%	0.079	S	C	.	.			trans	-73.4	120	-176.2	27.8	-32.7	0	0	0	111	R88 Q1139	R88-P1143 PolarHBondContact NH1-O 2.86Å; R88-P1143 PolarHBondContact NH2-O 2.94Å; Q1139-P1143 WeakPolarHBondContact O-CA 3.46Å
1144	A	76.9	Confident	81.5	Confident	2 Å²	2	20.4 Å²	20.4	2%	0.017	11%	0.107	C	C	.	.			trans	-83.6	149.5	171.9	0	0	0	0	0	109.8	Y136 D1142 F1146 Y1147 A1176	Y136-A1144 HydrophobicContact CE2-CB 4.33Å; D1142-A1144 PolarHBondContact O-N 2.83Å; A1144-F1146 VanDerWaalsContact C-N 3.27Å; A1144-F1146 PolarHBondContact O-N 3.36Å; A1144-Y1147 HydrophobicContact CB-CD1 4.35Å; A1144-Y1147 HydrophobicContact CB-CE1 3.51Å; A1144-Y1147 PolarHBondContact N-OH 2.76Å; A1144-A1176 WeakPolarHBondContact O-CB 3.1Å
1145	P	77.8	Confident	80.9	Confident	8 Å²	8	21.9 Å²	21.9	5%	0.052	12%	0.122	C	C	.	.	S	Bend	trans	-58.9	-33.6	-178.8	-24.6	33.5	0	0	0	114.4	M1 F130 Q1177	M1-P1145 HydrophobicContact CB-CB 4.5Å; M1-P1145 HydrophobicContact CE-CB 3.65Å; M1-P1145 HydrophobicContact CE-CG 3.27Å; M1-P1145 WeakPolarHBondContact O-CB 3.39Å; F130-P1145 HydrophobicContact CE1-CG 4.26Å; F130-P1145 HydrophobicContact CZ-CB 4.47Å; F130-P1145 HydrophobicContact CZ-CG 3.98Å; P1145-Q1177 PolarHBondContact O-N 3.2Å
1146	F	87.1	Confident	80.7	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	160.2	176.9	60.3	-94.5	0	0	0	111.6	I3 L49 F82 F130 Y137 A1144 L1148 Q1177	I3-F1146 HydrophobicContact CD1-CD1 3.96Å; I3-F1146 HydrophobicContact CD1-CD2 3.77Å; I3-F1146 HydrophobicContact CD1-CE1 3.9Å; I3-F1146 HydrophobicContact CD1-CE2 3.74Å; I3-F1146 HydrophobicContact CD1-CG 3.91Å; I3-F1146 HydrophobicContact CD1-CZ 3.82Å; I3-F1146 HydrophobicContact CG1-CD1 3.77Å; I3-F1146 HydrophobicContact CG1-CD2 4.47Å; I3-F1146 HydrophobicContact CG1-CE1 3.85Å; I3-F1146 HydrophobicContact CG1-CG 4.11Å; I3-F1146 HydrophobicContact CG1-CZ 4.29Å; L49-F1146 HydrophobicContact CD1-CE2 3.92Å; L49-F1146 HydrophobicContact CD1-CZ 3.49Å; L49-F1146 VanDerWaalsContact CD1-CZ 3.49Å; F82-F1146 AromaticContact CE1-CE1 3.95Å; F82-F1146 HydrophobicContact CE1-CE1 3.95Å; F82-F1146 HydrophobicContact CE1-CZ 4.49Å; F130-F1146 HydrophobicContact CE1-CD1 4.38Å; F130-F1146 AromaticContact CE1-CE1 3.52Å; F130-F1146 HydrophobicContact CE1-CE1 3.52Å; F130-F1146 AromaticContact CE1-CZ 3.59Å; F130-F1146 HydrophobicContact CE1-CZ 3.59Å; F130-F1146 HydrophobicContact CZ-CD1 4.43Å; F130-F1146 AromaticContact CZ-CE1 3.53Å; F130-F1146 HydrophobicContact CZ-CE1 3.53Å; F130-F1146 AromaticContact CZ-CZ 3.99Å; F130-F1146 HydrophobicContact CZ-CZ 3.99Å; Y137-F1146 HydrophobicContact CD2-CE2 4.26Å; A1144-F1146 VanDerWaalsContact C-N 3.27Å; A1144-F1146 PolarHBondContact O-N 3.36Å; F1146-L1148 HydrophobicContact CD2-CD1 4.03Å; F1146-L1148 HydrophobicContact CD2-CG 4.3Å; F1146-L1148 HydrophobicContact CE2-CD1 3.76Å; F1146-Q1177 CarbonylContact C-O 3.58Å; F1146-Q1177 WeakPolarHBondContact CA-O 3.43Å; F1146-Q1177 HydrophobicContact CB-CB 3.86Å; F1146-Q1177 HydrophobicContact CB-CG 4.46Å
1147	Y	87.1	Confident	80.5	Confident	4 Å²	4	26 Å²	26	2%	0.016	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	133.4	-179.5	-62.9	-63.6	0	0	0	111.3	Q1139 A1144 A1176 Q1177 F1178 I1179	Q1139-Y1147 HydrophobicContact CB-CE1 4.33Å; Q1139-Y1147 HydrophobicContact CB-CE2 4.44Å; Q1139-Y1147 VanDerWaalsContact CB-OH 3.29Å; Q1139-Y1147 WeakPolarHBondContact CB-OH 3.28Å; Q1139-Y1147 VanDerWaalsContact CD-CZ 3.43Å; Q1139-Y1147 HydrophobicContact CG-CD1 4.23Å; Q1139-Y1147 HydrophobicContact CG-CE1 3.42Å; Q1139-Y1147 VanDerWaalsContact CG-CE1 3.42Å; Q1139-Y1147 HydrophobicContact CG-CE2 4.21Å; Q1139-Y1147 VanDerWaalsContact CG-OH 3.3Å; Q1139-Y1147 WeakPolarHBondContact CG-OH 3.35Å; A1144-Y1147 HydrophobicContact CB-CD1 4.35Å; A1144-Y1147 HydrophobicContact CB-CE1 3.51Å; A1144-Y1147 PolarHBondContact N-OH 2.76Å; Y1147-A1176 HydrophobicContact CD2-CB 3.76Å; Y1147-A1176 HydrophobicContact CE2-CB 3.46Å; Y1147-A1176 VanDerWaalsContact CE2-CB 3.46Å; Y1147-Q1177 PolarHBondContact N-O 3.02Å; Y1147-F1178 HydrophobicContact CD2-CD1 4.21Å; Y1147-F1178 AromaticContact CD2-CE1 3.6Å; Y1147-F1178 HydrophobicContact CD2-CE1 3.6Å; Y1147-F1178 AromaticContact CD2-CE2 3.94Å; Y1147-F1178 HydrophobicContact CD2-CE2 3.94Å; Y1147-F1178 AromaticContact CD2-CZ 3.45Å; Y1147-F1178 HydrophobicContact CD2-CZ 3.45Å; Y1147-F1178 VanDerWaalsContact CD2-CZ 3.45Å; Y1147-F1178 HydrophobicContact CE2-CZ 4.04Å; Y1147-F1178 HydrophobicContact CG-CD1 4.41Å; Y1147-F1178 AromaticContact CG-CE1 3.98Å; Y1147-F1178 HydrophobicContact CG-CE1 3.98Å; Y1147-F1178 HydrophobicContact CG-CZ 4.29Å; Y1147-I1179 PolarHBondContact O-N 3Å
1148	L	87.8	Confident	80.1	Confident	2 Å²	2	28.5 Å²	28.5	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	111.2	180	-70.8	148.8	0	0	0	108.9	F42 I45 Y137 I138 V139 F1146 I1179	F42-L1148 HydrophobicContact CD1-CB 4.04Å; F42-L1148 HydrophobicContact CD1-CD2 3.83Å; F42-L1148 HydrophobicContact CE1-CB 3.97Å; F42-L1148 HydrophobicContact CE1-CD2 3.71Å; F42-L1148 HydrophobicContact CE1-CG 4.48Å; I45-L1148 HydrophobicContact CD1-CD2 3.98Å; I45-L1148 HydrophobicContact CG2-CD1 3.68Å; I45-L1148 HydrophobicContact CG2-CD2 4.25Å; Y137-L1148 PolarHBondContact O-N 2.65Å; I138-L1148 HydrophobicContact CD1-CD1 4.22Å; I138-L1148 HydrophobicContact CG1-CB 4.45Å; I138-L1148 HydrophobicContact CG1-CD1 3.93Å; I138-L1148 HydrophobicContact CG2-CB 4.47Å; V139-L1148 PolarHBondContact N-O 3.1Å; F1146-L1148 HydrophobicContact CD2-CD1 4.03Å; F1146-L1148 HydrophobicContact CD2-CG 4.3Å; F1146-L1148 HydrophobicContact CE2-CD1 3.76Å; L1148-I1179 WeakPolarHBondContact CA-O 3.44Å; L1148-I1179 HydrophobicContact CD2-CB 3.94Å; L1148-I1179 HydrophobicContact CD2-CD1 4.19Å; L1148-I1179 HydrophobicContact CD2-CG2 4.1Å
1149	F	87.4	Confident	79.9	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	115.4	-179.9	-66.4	-24.7	0	0	0	111.4	V139 I1135 F1136 I1152 F1178 I1179 T1180 T1181	V139-F1149 HydrophobicContact CB-CD1 3.79Å; V139-F1149 HydrophobicContact CB-CE1 4.27Å; V139-F1149 HydrophobicContact CG2-CD1 3.58Å; V139-F1149 HydrophobicContact CG2-CE1 3.54Å; I1135-F1149 HydrophobicContact CG2-CE1 4.43Å; I1135-F1149 HydrophobicContact CG2-CZ 4.46Å; F1136-F1149 AromaticContact CE1-CE2 3.84Å; F1136-F1149 HydrophobicContact CE1-CE2 3.84Å; F1136-F1149 AromaticContact CE1-CZ 3.95Å; F1136-F1149 HydrophobicContact CE1-CZ 3.95Å; F1136-F1149 AromaticContact CZ-CE2 4Å; F1136-F1149 HydrophobicContact CZ-CE2 4Å; F1136-F1149 HydrophobicContact CZ-CZ 4.34Å; F1149-I1152 HydrophobicContact CB-CD1 3.91Å; F1149-I1152 HydrophobicContact CB-CG1 4.06Å; F1149-I1152 HydrophobicContact CB-CG2 3.75Å; F1149-I1152 HydrophobicContact CD1-CG2 4.42Å; F1149-I1152 HydrophobicContact CD2-CD1 3.5Å; F1149-I1152 HydrophobicContact CE2-CD1 4.12Å; F1149-I1152 HydrophobicContact CG-CD1 3.84Å; F1149-I1152 HydrophobicContact CG-CG1 4.5Å; F1149-I1152 HydrophobicContact CG-CG2 4.16Å; F1149-F1178 HydrophobicContact CD2-CD1 4.17Å; F1149-F1178 HydrophobicContact CD2-CE1 4.45Å; F1149-F1178 AromaticContact CE2-CD1 3.83Å; F1149-F1178 HydrophobicContact CE2-CD1 3.83Å; F1149-F1178 AromaticContact CE2-CE1 3.66Å; F1149-F1178 HydrophobicContact CE2-CE1 3.66Å; F1149-F1178 HydrophobicContact CZ-CE1 4.11Å; F1149-I1179 PolarHBondContact N-O 3.47Å; F1149-T1180 HydrophobicContact CB-CG2 3.98Å; F1149-T1180 HydrophobicContact CD2-CG2 4.07Å; F1149-T1180 HydrophobicContact CG-CG2 4.46Å; F1149-T1180 CarbonylContact O-C 3.53Å; F1149-T1180 VanDerWaalsContact O-CA 3.28Å; F1149-T1180 WeakPolarHBondContact O-CA 3.18Å; F1149-T1181 PolarHBondContact O-N 3.21Å
1150	D	87.2	Confident	79.8	Confident	9 Å²	9	36.2 Å²	36.2	5%	0.048	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	107.2	179.7	-162.9	20.2	0	0	0	110.9	F42 V139 I1152 T1181	F42-D1150 HydrophobicContact CD1-CB 4.43Å; V139-D1150 PolarHBondContact O-N 3.48Å; D1150-I1152 VanDerWaalsContact C-N 3.28Å; D1150-I1152 PolarHBondContact O-N 3.4Å; D1150-T1181 VanDerWaalsContact CA-OG1 3.25Å; D1150-T1181 WeakPolarHBondContact CA-OG1 3.39Å; D1150-T1181 PolarHBondContact OD1-OG1 3.22Å
1151	E	83.8	Confident	79.8	Confident	19 Å²	19	35 Å²	35	9%	0.089	19%	0.194	C	C	.	.	S	Bend	trans	51.1	40.5	174.4	-60.7	179.9	-166.8	0	0	114.5	Q141 D1153 Q1154 T1181 F1183	Q141-E1151 VanDerWaalsContact CD-OE2 3.24Å; Q141-E1151 HydrophobicContact CG-CB 4.39Å; Q141-E1151 PolarHBondContact NE2-OE2 3.13Å; E1151-D1153 PolarHBondContact O-N 3.39Å; E1151-D1153 VanDerWaalsContact O-N 3.14Å; E1151-Q1154 PolarHBondContact O-N 3.2Å; E1151-T1181 PolarHBondContact N-O 2.92Å; E1151-T1181 PolarHBondContact N-OG1 3.44Å; E1151-F1183 HydrophobicContact CG-CD2 4.44Å; E1151-F1183 HydrophobicContact CG-CE2 4.2Å; E1151-F1183 WeakPolarHBondContact OE1-CE2 3.28Å
1152	I	80	Confident	79.7	Confident	9 Å²	9	39.4 Å²	39.4	5%	0.046	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-13.8	-176	58.1	161.2	0	0	0	114.2	V139 I144 L1132 F1149 D1150	V139-I1152 HydrophobicContact CB-CG2 4.22Å; V139-I1152 HydrophobicContact CG1-CG2 3.85Å; I144-I1152 HydrophobicContact CD1-CB 4.31Å; I144-I1152 HydrophobicContact CD1-CG2 4.27Å; L1132-I1152 HydrophobicContact CD2-CB 4.38Å; L1132-I1152 HydrophobicContact CD2-CD1 4.02Å; F1149-I1152 HydrophobicContact CB-CD1 3.91Å; F1149-I1152 HydrophobicContact CB-CG1 4.06Å; F1149-I1152 HydrophobicContact CB-CG2 3.75Å; F1149-I1152 HydrophobicContact CD1-CG2 4.42Å; F1149-I1152 HydrophobicContact CD2-CD1 3.5Å; F1149-I1152 HydrophobicContact CE2-CD1 4.12Å; F1149-I1152 HydrophobicContact CG-CD1 3.84Å; F1149-I1152 HydrophobicContact CG-CG1 4.5Å; F1149-I1152 HydrophobicContact CG-CG2 4.16Å; D1150-I1152 VanDerWaalsContact C-N 3.28Å; D1150-I1152 PolarHBondContact O-N 3.4Å
1153	D	76.1	Confident	79.6	Confident	10 Å²	10	37.9 Å²	37.9	5%	0.053	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-0.1	-173.6	64.6	-23.4	0	0	0	113.7	E1151 A1155 L1156 R1161 T1182 R1184	E1151-D1153 PolarHBondContact O-N 3.39Å; E1151-D1153 VanDerWaalsContact O-N 3.14Å; D1153-A1155 VanDerWaalsContact C-N 3.26Å; D1153-A1155 PolarHBondContact O-N 3.16Å; D1153-L1156 PolarHBondContact O-N 3.35Å; D1153-R1161 HydrophobicContact CB-CG 4Å; D1153-T1182 WeakPolarHBondContact OD2-CB 3.34Å; D1153-T1182 PolarHBondContact OD2-OG1 3.18Å; D1153-R1184 WeakPolarHBondContact OD2-CB 3.45Å
1154	Q	76.3	Confident	79.6	Confident	125 Å²	125	34.9 Å²	34.9	58%	0.584	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-34.8	-179.4	-171.5	179	16.4	0	0	113.4	Q141 E1151	Q141-Q1154 VanDerWaalsContact NE2-OE1 3.17Å; E1151-Q1154 PolarHBondContact O-N 3.2Å
1155	A	71.6	Confident	79.1	Confident	49 Å²	49	34.9 Å²	34.9	41%	0.405	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	7.8	-175.9	0	0	0	0	0	114.1	G1125 D1153	G1125-A1155 WeakPolarHBondContact CA-O 3.38Å; D1153-A1155 VanDerWaalsContact C-N 3.26Å; D1153-A1155 PolarHBondContact O-N 3.16Å
1156	L	77.9	Confident	78.3	Confident	15 Å²	15	36.7 Å²	36.7	8%	0.079	20%	0.2	C	C	.	.			trans	-104.2	142.6	-177.4	-62.2	179.9	0	0	0	111.9	L1129 L1132 D1153 R1161 V1164	L1129-L1156 HydrophobicContact CB-CD2 4.41Å; L1129-L1156 HydrophobicContact CD1-CD2 4.11Å; L1132-L1156 HydrophobicContact CD1-CD1 3.68Å; L1132-L1156 HydrophobicContact CD1-CD2 4.39Å; L1132-L1156 HydrophobicContact CD1-CG 4.46Å; D1153-L1156 PolarHBondContact O-N 3.35Å; L1156-R1161 HydrophobicContact CB-CG 3.74Å; L1156-R1161 PolarHBondContact O-NE 3.15Å; L1156-V1164 HydrophobicContact CD1-CG2 4.23Å
1157	D	78.9	Confident	77.3	Confident	79 Å²	79	40.6 Å²	40.6	42%	0.422	22%	0.221	S	C	.	.			trans	-72.5	169	172	68.5	8.9	0	0	0	111.6	Q1159 H1160 R1161	D1157-Q1159 VanDerWaalsContact C-N 3.27Å; D1157-Q1159 PolarHBondContact O-N 3.23Å; D1157-Q1159 PolarHBondContact OD1-N 3.08Å; D1157-H1160 VanDerWaalsContact CG-CD2 3.43Å; D1157-H1160 PolarHBondContact O-N 3.13Å; D1157-H1160 WeakPolarHBondContact OD1-CA 3.48Å; D1157-H1160 WeakPolarHBondContact OD1-CB 3.24Å; D1157-H1160 IonicContact OD1-CD2 3.81Å; D1157-H1160 PolarHBondContact OD1-CD2 3.48Å; D1157-H1160 IonicContact OD1-CG 3.92Å; D1157-H1160 PolarHBondContact OD1-N 2.63Å; D1157-H1160 IonicContact OD2-CD2 3.86Å; D1157-H1160 PolarHBondContact OD2-CD2 3.29Å; D1157-H1160 IonicContact OD2-NE2 2.77Å; D1157-R1161 WeakPolarHBondContact O-CB 3.34Å; D1157-R1161 VanDerWaalsContact O-CG 3.31Å; D1157-R1161 WeakPolarHBondContact O-CG 3.07Å; D1157-R1161 PolarHBondContact O-N 3.25Å; D1157-R1161 PolarHBondContact O-NE 3.37Å
1158	A	76.1	Confident	76.7	Confident	51 Å²	51	40.5 Å²	40.5	42%	0.421	22%	0.221	S	C	.	.	H	α-helix	trans	-63.4	-33	-175.9	0	0	0	0	0	112.8	K1162	A1158-K1162 WeakPolarHBondContact O-CB 3.26Å; A1158-K1162 PolarHBondContact O-N 3.36Å; A1158-K1162 VanDerWaalsContact O-N 3.08Å
1159	Q	77.3	Confident	76.3	Confident	134 Å²	134	40.4 Å²	40.4	63%	0.626	22%	0.22	S	C	*	.	H	α-helix	trans	-70.6	-47	-180	-174.6	176.6	-8.9	0	0	111.6	D1157 K1162 A1163	D1157-Q1159 VanDerWaalsContact C-N 3.27Å; D1157-Q1159 PolarHBondContact O-N 3.23Å; D1157-Q1159 PolarHBondContact OD1-N 3.08Å; Q1159-K1162 PolarHBondContact O-N 3.29Å; Q1159-A1163 PolarHBondContact O-N 3.22Å
1160	H	77.1	Confident	76	Confident	42 Å²	42	44 Å²	44	19%	0.194	24%	0.242	C	C	.	.	H	α-helix	trans	-70.8	-32.4	176.3	-65.9	-54.2	0	0	0	111.9	L1054 L1129 D1157 A1163 V1164	L1054-H1160 PolarHBondContact O-ND1 3.28Å; L1129-H1160 HydrophobicContact CD1-CB 4.26Å; D1157-H1160 VanDerWaalsContact CG-CD2 3.43Å; D1157-H1160 PolarHBondContact O-N 3.13Å; D1157-H1160 WeakPolarHBondContact OD1-CA 3.48Å; D1157-H1160 WeakPolarHBondContact OD1-CB 3.24Å; D1157-H1160 IonicContact OD1-CD2 3.81Å; D1157-H1160 PolarHBondContact OD1-CD2 3.48Å; D1157-H1160 IonicContact OD1-CG 3.92Å; D1157-H1160 PolarHBondContact OD1-N 2.63Å; D1157-H1160 IonicContact OD2-CD2 3.86Å; D1157-H1160 PolarHBondContact OD2-CD2 3.29Å; D1157-H1160 IonicContact OD2-NE2 2.77Å; H1160-A1163 PolarHBondContact O-N 3.48Å; H1160-V1164 WeakPolarHBondContact O-CB 3.12Å; H1160-V1164 VanDerWaalsContact O-CG2 3.22Å; H1160-V1164 WeakPolarHBondContact O-CG2 3.45Å; H1160-V1164 PolarHBondContact O-N 3.5Å
1161	R	79.8	Confident	75.7	Confident	37 Å²	37	47.7 Å²	47.7	14%	0.14	26%	0.259	C	S	.	.	H	α-helix	trans	-58.8	-46.7	170.6	-81.8	-174.7	-85.9	139.2	1.3	111.7	D1153 L1156 D1157 V1164 S1165 E1186	D1153-R1161 HydrophobicContact CB-CG 4Å; L1156-R1161 HydrophobicContact CB-CG 3.74Å; L1156-R1161 PolarHBondContact O-NE 3.15Å; D1157-R1161 WeakPolarHBondContact O-CB 3.34Å; D1157-R1161 VanDerWaalsContact O-CG 3.31Å; D1157-R1161 WeakPolarHBondContact O-CG 3.07Å; D1157-R1161 PolarHBondContact O-N 3.25Å; D1157-R1161 PolarHBondContact O-NE 3.37Å; R1161-V1164 PolarHBondContact O-N 3.36Å; R1161-S1165 WeakPolarHBondContact O-CB 3.23Å; R1161-S1165 PolarHBondContact O-N 2.99Å; R1161-S1165 PolarHBondContact O-OG 3.42Å; R1161-E1186 HydrophobicContact CB-CB 4.34Å; R1161-E1186 IonicContact CZ-OE1 3.45Å; R1161-E1186 IonicContact CZ-OE2 2.68Å; R1161-E1186 IonicContact NH1-OE1 2.75Å; R1161-E1186 PolarHBondContact NH1-OE1 2.78Å; R1161-E1186 IonicContact NH1-OE2 3.22Å; R1161-E1186 PolarHBondContact NH1-OE2 3.26Å; R1161-E1186 IonicContact NH2-OE1 3.83Å
1162	K	77.4	Confident	75.4	Confident	115 Å²	115	47.9 Å²	47.9	50%	0.5	26%	0.261	S	S	.	.	H	α-helix	trans	-65.5	-39.4	178.1	-166.2	162.7	-171.4	161	0	112.8	A1158 Q1159 S1165 A1166	A1158-K1162 WeakPolarHBondContact O-CB 3.26Å; A1158-K1162 PolarHBondContact O-N 3.36Å; A1158-K1162 VanDerWaalsContact O-N 3.08Å; Q1159-K1162 PolarHBondContact O-N 3.29Å; K1162-S1165 PolarHBondContact O-N 3.13Å; K1162-S1165 PolarHBondContact O-OG 3.22Å; K1162-A1166 VanDerWaalsContact O-CB 3.24Å; K1162-A1166 WeakPolarHBondContact O-CB 3.18Å; K1162-A1166 PolarHBondContact O-N 3.43Å
1163	A	73.3	Confident	75.4	Confident	17 Å²	17	47.7 Å²	47.7	14%	0.14	26%	0.261	C	S	.	.	I	π-helix	trans	-65.3	-40.7	174.6	0	0	0	0	0	112.2	Q1159 H1160 D1167	Q1159-A1163 PolarHBondContact O-N 3.22Å; H1160-A1163 PolarHBondContact O-N 3.48Å; A1163-D1167 WeakPolarHBondContact O-CB 3.11Å; A1163-D1167 PolarHBondContact O-N 3.49Å; A1163-D1167 VanDerWaalsContact O-N 3.13Å
1164	V	74.1	Confident	75.5	Confident	5 Å²	5	49.8 Å²	49.8	3%	0.03	29%	0.285	C	S	.	.	I	π-helix	trans	-66.8	-43.8	175.6	171.2	0	0	0	0	111	L1054 F1136 L1156 H1160 R1161 I1169	L1054-V1164 HydrophobicContact CD2-CG2 3.66Å; F1136-V1164 HydrophobicContact CE2-CG1 4.28Å; F1136-V1164 HydrophobicContact CZ-CG1 4.39Å; L1156-V1164 HydrophobicContact CD1-CG2 4.23Å; H1160-V1164 WeakPolarHBondContact O-CB 3.12Å; H1160-V1164 VanDerWaalsContact O-CG2 3.22Å; H1160-V1164 WeakPolarHBondContact O-CG2 3.45Å; H1160-V1164 PolarHBondContact O-N 3.5Å; R1161-V1164 PolarHBondContact O-N 3.36Å; V1164-I1169 HydrophobicContact CG1-CD1 3.97Å; V1164-I1169 HydrophobicContact CG1-CG1 4.44Å; V1164-I1169 WeakPolarHBondContact O-CG1 3.47Å; V1164-I1169 PolarHBondContact O-N 3.12Å; V1164-I1169 VanDerWaalsContact O-N 3.09Å
1165	S	67.9	Low	75.7	Confident	2 Å²	2	52 Å²	52	1%	0.014	30%	0.295	C	S	.	.	I	π-helix	trans	-73.5	-47.6	-176.3	68.7	0	0	0	0	113.2	R1161 K1162 V1170 E1186	R1161-S1165 WeakPolarHBondContact O-CB 3.23Å; R1161-S1165 PolarHBondContact O-N 2.99Å; R1161-S1165 PolarHBondContact O-OG 3.42Å; K1162-S1165 PolarHBondContact O-N 3.13Å; K1162-S1165 PolarHBondContact O-OG 3.22Å; S1165-V1170 WeakPolarHBondContact O-CG2 3.21Å; S1165-E1186 VanDerWaalsContact CB-O 3.25Å; S1165-E1186 WeakPolarHBondContact CB-O 3.19Å; S1165-E1186 PolarHBondContact OG-O 3.43Å
1166	A	61.1	Low	76.3	Confident	47 Å²	47	50.1 Å²	50.1	39%	0.388	28%	0.279	S	S	.	.	I	π-helix	trans	-85.1	-39.6	-174.1	0	0	0	0	0	113.6	K1162	K1162-A1166 VanDerWaalsContact O-CB 3.24Å; K1162-A1166 WeakPolarHBondContact O-CB 3.18Å; K1162-A1166 PolarHBondContact O-N 3.43Å
1167	D	65.6	Low	76.8	Confident	82 Å²	82	49.5 Å²	49.5	44%	0.439	28%	0.276	S	S	.	.	I	π-helix	trans	-98.1	-19.9	-169.4	-61.9	-39.9	0	0	0	114.3	K1053 A1163	K1053-D1167 VanDerWaalsContact CE-O 3.29Å; K1053-D1167 WeakPolarHBondContact CE-O 3.49Å; K1053-D1167 PolarHBondContact NZ-O 2.86Å; A1163-D1167 WeakPolarHBondContact O-CB 3.11Å; A1163-D1167 PolarHBondContact O-N 3.49Å; A1163-D1167 VanDerWaalsContact O-N 3.13Å
1168	M	74.4	Confident	77.3	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.005	26%	0.255	C	S	.	.	I	π-helix	trans	-114.7	-56.3	-176.9	-68.6	-63.5	-176.4	0	0	113	V1050 K1053 L1054 V1170 E1171 L1172	V1050-M1168 HydrophobicContact CB-CE 4.29Å; V1050-M1168 HydrophobicContact CG1-CE 3.92Å; V1050-M1168 HydrophobicContact CG2-CE 4.47Å; V1050-M1168 WeakPolarHBondContact O-CE 3.14Å; K1053-M1168 HydrophobicContact CB-CE 3.5Å; K1053-M1168 VanDerWaalsContact CB-CE 3.5Å; K1053-M1168 HydrophobicContact CD-CE 3.49Å; K1053-M1168 VanDerWaalsContact CD-CE 3.49Å; K1053-M1168 HydrophobicContact CD-SD 4.24Å; K1053-M1168 HydrophobicContact CG-CE 3.5Å; L1054-M1168 HydrophobicContact CD2-CE 4.33Å; L1054-M1168 HydrophobicContact CD2-CG 3.82Å; L1054-M1168 HydrophobicContact CG-CE 4Å; L1054-M1168 HydrophobicContact CG-CG 4.37Å; M1168-V1170 PolarHBondContact O-N 2.93Å; M1168-E1171 PolarHBondContact O-N 3.43Å; M1168-L1172 WeakPolarHBondContact O-CB 3.34Å; M1168-L1172 VanDerWaalsContact O-CG 3.29Å; M1168-L1172 WeakPolarHBondContact O-CG 2.78Å; M1168-L1172 PolarHBondContact O-N 3.32Å
1169	I	79.8	Confident	78	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.235	C	C	.	.	I	π-helix	trans	-65.5	-41.5	-175.7	-69	173.3	0	0	0	111.1	F1136 V1164 E1171 L1172 A1173 F1178 L1187	F1136-I1169 HydrophobicContact CE1-CG1 4.46Å; F1136-I1169 HydrophobicContact CZ-CG1 4.13Å; V1164-I1169 HydrophobicContact CG1-CD1 3.97Å; V1164-I1169 HydrophobicContact CG1-CG1 4.44Å; V1164-I1169 WeakPolarHBondContact O-CG1 3.47Å; V1164-I1169 PolarHBondContact O-N 3.12Å; V1164-I1169 VanDerWaalsContact O-N 3.09Å; I1169-E1171 PolarHBondContact O-N 3.49Å; I1169-L1172 PolarHBondContact O-N 3.09Å; I1169-A1173 WeakPolarHBondContact O-CB 2.99Å; I1169-A1173 PolarHBondContact O-N 3.11Å; I1169-F1178 HydrophobicContact CG2-CD1 4.45Å; I1169-F1178 HydrophobicContact CG2-CG 4.28Å; I1169-L1187 HydrophobicContact CD1-CD1 3.62Å
1170	V	80	Confident	78.6	Confident	77 Å²	77	36.9 Å²	36.9	47%	0.467	21%	0.206	S	C	.	.	H	α-helix	trans	-62.2	-43	176.1	174.8	0	0	0	0	112.1	S1165 M1168	S1165-V1170 WeakPolarHBondContact O-CG2 3.21Å; M1168-V1170 PolarHBondContact O-N 2.93Å
1171	E	80.1	Confident	79.1	Confident	86 Å²	86	34.9 Å²	34.9	40%	0.402	20%	0.196	S	C	.	.	H	α-helix	trans	-64.7	-46.4	178.8	-175.2	-171.3	135	0	0	111	K1053 K1140 M1168 I1169 G1174	K1053-E1171 IonicContact NZ-OE2 2.7Å; K1053-E1171 PolarHBondContact NZ-OE2 2.77Å; K1140-E1171 IonicContact NZ-OE1 3.83Å; K1140-E1171 PolarHBondContact NZ-OE1 3.22Å; M1168-E1171 PolarHBondContact O-N 3.43Å; I1169-E1171 PolarHBondContact O-N 3.49Å; E1171-G1174 PolarHBondContact O-N 3.43Å
1172	L	78.2	Confident	79.4	Confident	22 Å²	22	33.2 Å²	33.2	12%	0.115	19%	0.19	C	C	.	.	H	α-helix	trans	-74.1	-28.7	-178	-67.6	172.5	0	0	0	112.8	F1136 K1140 M1168 I1169 G1174 H1175 A1176 F1178	F1136-L1172 HydrophobicContact CB-CD1 4.5Å; F1136-L1172 HydrophobicContact CD1-CD1 3.44Å; F1136-L1172 VanDerWaalsContact CD1-CD1 3.44Å; F1136-L1172 HydrophobicContact CE1-CD1 3.93Å; F1136-L1172 HydrophobicContact CG-CD1 4.21Å; K1140-L1172 HydrophobicContact CD-CD2 4.42Å; K1140-L1172 HydrophobicContact CG-CD2 3.79Å; M1168-L1172 WeakPolarHBondContact O-CB 3.34Å; M1168-L1172 VanDerWaalsContact O-CG 3.29Å; M1168-L1172 WeakPolarHBondContact O-CG 2.78Å; M1168-L1172 PolarHBondContact O-N 3.32Å; I1169-L1172 PolarHBondContact O-N 3.09Å; L1172-G1174 PolarHBondContact O-N 2.89Å; L1172-G1174 VanDerWaalsContact O-N 3.1Å; L1172-H1175 PolarHBondContact O-N 2.57Å; L1172-A1176 PolarHBondContact O-N 3.4Å; L1172-F1178 HydrophobicContact CB-CE2 3.75Å; L1172-F1178 HydrophobicContact CB-CZ 3.68Å; L1172-F1178 HydrophobicContact CD1-CZ 4.43Å
1173	A	80.1	Confident	79.6	Confident	6 Å²	6	29.8 Å²	29.8	5%	0.05	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-12.9	177.2	0	0	0	0	0	113.2	K26 H27 I1169 H1175 A1176 F1178	K26-A1173 HydrophobicContact CB-CB 4.43Å; K26-A1173 WeakPolarHBondContact CG-O 3.14Å; H27-A1173 HydrophobicContact CB-CB 4.31Å; I1169-A1173 WeakPolarHBondContact O-CB 2.99Å; I1169-A1173 PolarHBondContact O-N 3.11Å; A1173-H1175 VanDerWaalsContact C-N 3.25Å; A1173-H1175 PolarHBondContact O-N 3.35Å; A1173-A1176 WeakPolarHBondContact CA-O 3.46Å; A1173-F1178 HydrophobicContact CB-CD2 3.94Å; A1173-F1178 HydrophobicContact CB-CE2 4.35Å
1174	G	79.3	Confident	80.1	Confident	54 Å²	54	34.5 Å²	34.5	56%	0.557	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-22.5	170.3	0	0	0	0	0	114.2	E1171 L1172	E1171-G1174 PolarHBondContact O-N 3.43Å; L1172-G1174 PolarHBondContact O-N 2.89Å; L1172-G1174 VanDerWaalsContact O-N 3.1Å
1175	H	78.8	Confident	80.4	Confident	172 Å²	172	36.6 Å²	36.6	80%	0.796	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.2	-13.4	-174.1	-64.3	-62.4	0	0	0	114.4	L1172 A1173	L1172-H1175 PolarHBondContact O-N 2.57Å; A1173-H1175 VanDerWaalsContact C-N 3.25Å; A1173-H1175 PolarHBondContact O-N 3.35Å
1176	A	84.7	Confident	81.1	Confident	9 Å²	9	38.1 Å²	38.1	7%	0.074	21%	0.21	C	C	.	.	S	Bend	trans	-143.9	151.6	179.7	0	0	0	0	0	111.4	A1144 Y1147 L1172 A1173 F1178	A1144-A1176 WeakPolarHBondContact O-CB 3.1Å; Y1147-A1176 HydrophobicContact CD2-CB 3.76Å; Y1147-A1176 HydrophobicContact CE2-CB 3.46Å; Y1147-A1176 VanDerWaalsContact CE2-CB 3.46Å; L1172-A1176 PolarHBondContact O-N 3.4Å; A1173-A1176 WeakPolarHBondContact CA-O 3.46Å; A1176-F1178 HydrophobicContact CB-CE2 4.24Å; A1176-F1178 WeakPolarHBondContact O-CD2 3.12Å
1177	Q	89.8	Confident	82	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	131.5	175.7	-177.1	-176.8	45.4	0	0	110.7	I3 S24 P25 K26 P1145 F1146 Y1147 I1179	I3-Q1177 PolarHBondContact O-NE2 3.44Å; I3-Q1177 PolarHBondContact O-OE1 3.39Å; S24-Q1177 PolarHBondContact O-NE2 3.47Å; P25-Q1177 VanDerWaalsContact O-CA 3.28Å; P25-Q1177 WeakPolarHBondContact O-CA 3.4Å; P25-Q1177 WeakPolarHBondContact O-CB 3.39Å; K26-Q1177 CarbonylContact O-C 3.43Å; K26-Q1177 WeakPolarHBondContact O-CA 3.19Å; P1145-Q1177 PolarHBondContact O-N 3.2Å; F1146-Q1177 CarbonylContact C-O 3.58Å; F1146-Q1177 WeakPolarHBondContact CA-O 3.43Å; F1146-Q1177 HydrophobicContact CB-CB 3.86Å; F1146-Q1177 HydrophobicContact CB-CG 4.46Å; Y1147-Q1177 PolarHBondContact N-O 3.02Å; Q1177-I1179 HydrophobicContact CG-CG1 4.43Å
1178	F	89.4	Confident	82.8	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	131.4	173.7	-73.4	-94.5	0	0	0	110.3	K26 H27 N28 F1136 Y1147 F1149 I1169 L1172 A1173 A1176 T1180	K26-F1178 PolarHBondContact O-N 3.4Å; H27-F1178 HydrophobicContact CB-CB 4.46Å; N28-F1178 PolarHBondContact N-O 2.76Å; N28-F1178 PolarHBondContact ND2-O 3.05Å; F1136-F1178 HydrophobicContact CE1-CE1 4.41Å; Y1147-F1178 HydrophobicContact CD2-CD1 4.21Å; Y1147-F1178 AromaticContact CD2-CE1 3.6Å; Y1147-F1178 HydrophobicContact CD2-CE1 3.6Å; Y1147-F1178 AromaticContact CD2-CE2 3.94Å; Y1147-F1178 HydrophobicContact CD2-CE2 3.94Å; Y1147-F1178 AromaticContact CD2-CZ 3.45Å; Y1147-F1178 HydrophobicContact CD2-CZ 3.45Å; Y1147-F1178 VanDerWaalsContact CD2-CZ 3.45Å; Y1147-F1178 HydrophobicContact CE2-CZ 4.04Å; Y1147-F1178 HydrophobicContact CG-CD1 4.41Å; Y1147-F1178 AromaticContact CG-CE1 3.98Å; Y1147-F1178 HydrophobicContact CG-CE1 3.98Å; Y1147-F1178 HydrophobicContact CG-CZ 4.29Å; F1149-F1178 HydrophobicContact CD2-CD1 4.17Å; F1149-F1178 HydrophobicContact CD2-CE1 4.45Å; F1149-F1178 AromaticContact CE2-CD1 3.83Å; F1149-F1178 HydrophobicContact CE2-CD1 3.83Å; F1149-F1178 AromaticContact CE2-CE1 3.66Å; F1149-F1178 HydrophobicContact CE2-CE1 3.66Å; F1149-F1178 HydrophobicContact CZ-CE1 4.11Å; I1169-F1178 HydrophobicContact CG2-CD1 4.45Å; I1169-F1178 HydrophobicContact CG2-CG 4.28Å; L1172-F1178 HydrophobicContact CB-CE2 3.75Å; L1172-F1178 HydrophobicContact CB-CZ 3.68Å; L1172-F1178 HydrophobicContact CD1-CZ 4.43Å; A1173-F1178 HydrophobicContact CB-CD2 3.94Å; A1173-F1178 HydrophobicContact CB-CE2 4.35Å; A1176-F1178 HydrophobicContact CB-CE2 4.24Å; A1176-F1178 WeakPolarHBondContact O-CD2 3.12Å; F1178-T1180 HydrophobicContact CB-CG2 4.34Å
1179	I	90.7	Very high	83.1	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	111	172	-57.6	172.8	0	0	0	107	I3 F23 N28 I30 F42 Y1147 L1148 F1149 Q1177	I3-I1179 HydrophobicContact CD1-CD1 4.44Å; F23-I1179 HydrophobicContact CE1-CD1 4.49Å; N28-I1179 HydrophobicContact CB-CG1 4.44Å; N28-I1179 WeakPolarHBondContact O-CA 3.45Å; I30-I1179 HydrophobicContact CD1-CG2 3.7Å; I30-I1179 HydrophobicContact CG1-CG2 4.41Å; F42-I1179 HydrophobicContact CE1-CG2 4.37Å; F42-I1179 HydrophobicContact CZ-CG2 3.91Å; Y1147-I1179 PolarHBondContact O-N 3Å; L1148-I1179 WeakPolarHBondContact CA-O 3.44Å; L1148-I1179 HydrophobicContact CD2-CB 3.94Å; L1148-I1179 HydrophobicContact CD2-CD1 4.19Å; L1148-I1179 HydrophobicContact CD2-CG2 4.1Å; F1149-I1179 PolarHBondContact N-O 3.47Å; Q1177-I1179 HydrophobicContact CG-CG1 4.43Å
1180	T	89.3	Confident	83	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	149.5	-170.3	70.5	0	0	0	0	112.3	H27 N28 V29 I30 F1149 F1178	H27-T1180 PolarHBondContact NE2-OG1 3.35Å; N28-T1180 PolarHBondContact O-N 3.46Å; V29-T1180 CarbonylContact C-O 3.5Å; V29-T1180 WeakPolarHBondContact CA-O 3.22Å; V29-T1180 WeakPolarHBondContact CG2-OG1 3.5Å; I30-T1180 PolarHBondContact N-O 3.16Å; F1149-T1180 HydrophobicContact CB-CG2 3.98Å; F1149-T1180 HydrophobicContact CD2-CG2 4.07Å; F1149-T1180 HydrophobicContact CG-CG2 4.46Å; F1149-T1180 CarbonylContact O-C 3.53Å; F1149-T1180 VanDerWaalsContact O-CA 3.28Å; F1149-T1180 WeakPolarHBondContact O-CA 3.18Å; F1178-T1180 HydrophobicContact CB-CG2 4.34Å
1181	T	88.4	Confident	83.3	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	143	167.5	52.7	0	0	0	0	110	I30 K38 F42 F1149 D1150 E1151	I30-T1181 HydrophobicContact CB-CG2 3.99Å; I30-T1181 HydrophobicContact CG2-CG2 4.39Å; I30-T1181 WeakPolarHBondContact O-CA 3.46Å; K38-T1181 HydrophobicContact CB-CG2 4.36Å; F42-T1181 HydrophobicContact CD2-CG2 3.99Å; F42-T1181 HydrophobicContact CE2-CG2 3.17Å; F42-T1181 HydrophobicContact CZ-CG2 3.64Å; F1149-T1181 PolarHBondContact O-N 3.21Å; D1150-T1181 VanDerWaalsContact CA-OG1 3.25Å; D1150-T1181 WeakPolarHBondContact CA-OG1 3.39Å; D1150-T1181 PolarHBondContact OD1-OG1 3.22Å; E1151-T1181 PolarHBondContact N-O 2.92Å; E1151-T1181 PolarHBondContact N-OG1 3.44Å
1182	T	84.4	Confident	83.6	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.006	19%	0.194	C	C	.	.			trans	-154.4	156.3	178.6	178.2	0	0	0	0	110.9	V29 D1153 R1184 L1187	V29-T1182 HydrophobicContact CG1-CG2 3.77Å; D1153-T1182 WeakPolarHBondContact OD2-CB 3.34Å; D1153-T1182 PolarHBondContact OD2-OG1 3.18Å; T1182-R1184 PolarHBondContact OG1-N 2.69Å; T1182-R1184 PolarHBondContact OG1-O 3.45Å; T1182-L1187 HydrophobicContact CG2-CB 4.06Å; T1182-L1187 HydrophobicContact CG2-CD2 4.04Å; T1182-L1187 HydrophobicContact CG2-CG 4.44Å
1183	F	82.1	Confident	84.1	Confident	44 Å²	44	39 Å²	39	19%	0.193	20%	0.204	C	C	.	.	S	Bend	trans	-111.5	14.4	165.2	-63.3	-75.5	0	0	0	112	G32 N34 E1151 V1218	G32-F1183 WeakPolarHBondContact O-CE1 3.43Å; N34-F1183 VanDerWaalsContact OD1-CE1 3.31Å; N34-F1183 WeakPolarHBondContact OD1-CE1 3.41Å; N34-F1183 WeakPolarHBondContact OD1-CZ 3.35Å; E1151-F1183 HydrophobicContact CG-CD2 4.44Å; E1151-F1183 HydrophobicContact CG-CE2 4.2Å; E1151-F1183 WeakPolarHBondContact OE1-CE2 3.28Å; F1183-V1218 VanDerWaalsContact O-CG1 3.32Å; F1183-V1218 WeakPolarHBondContact O-CG1 3.42Å
1184	R	83.4	Confident	84.6	Confident	115 Å²	115	39.8 Å²	39.8	43%	0.434	21%	0.207	S	C	.	.	S	Bend	trans	-123.1	136.8	-170.7	-60	-56.8	-171.6	-158.8	0.5	110.4	D1153 T1182 E1186	D1153-R1184 WeakPolarHBondContact OD2-CB 3.45Å; T1182-R1184 PolarHBondContact OG1-N 2.69Å; T1182-R1184 PolarHBondContact OG1-O 3.45Å; R1184-E1186 VanDerWaalsContact C-N 3.31Å; R1184-E1186 WeakPolarHBondContact CB-OE2 2.95Å; R1184-E1186 PolarHBondContact O-N 2.81Å
1185	P	81.4	Confident	85.2	Confident	49 Å²	49	37.2 Å²	37.2	32%	0.318	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-71	-24.2	-169.9	27.3	-34.5	0	0	0	113.7	L1187 L1188 V1218	P1185-L1187 VanDerWaalsContact C-N 3.28Å; P1185-L1187 PolarHBondContact O-N 3.44Å; P1185-L1188 WeakPolarHBondContact O-CB 3.36Å; P1185-L1188 PolarHBondContact O-N 3.22Å; P1185-L1188 VanDerWaalsContact O-N 3.13Å; P1185-V1218 HydrophobicContact CB-CG1 4.27Å; P1185-V1218 HydrophobicContact CG-CG1 4.49Å
1186	E	82.6	Confident	85.7	Confident	35 Å²	35	29 Å²	29	16%	0.164	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-70.9	-20.8	-171.9	-52.1	84.6	166.6	0	0	113.4	R1161 S1165 R1184	R1161-E1186 HydrophobicContact CB-CB 4.34Å; R1161-E1186 IonicContact CZ-OE1 3.45Å; R1161-E1186 IonicContact CZ-OE2 2.68Å; R1161-E1186 IonicContact NH1-OE1 2.75Å; R1161-E1186 PolarHBondContact NH1-OE1 2.78Å; R1161-E1186 IonicContact NH1-OE2 3.22Å; R1161-E1186 PolarHBondContact NH1-OE2 3.26Å; R1161-E1186 IonicContact NH2-OE1 3.83Å; S1165-E1186 VanDerWaalsContact CB-O 3.25Å; S1165-E1186 WeakPolarHBondContact CB-O 3.19Å; S1165-E1186 PolarHBondContact OG-O 3.43Å; R1184-E1186 VanDerWaalsContact C-N 3.31Å; R1184-E1186 WeakPolarHBondContact CB-OE2 2.95Å; R1184-E1186 PolarHBondContact O-N 2.81Å
1187	L	80.1	Confident	85.9	Confident	9 Å²	9	28.7 Å²	28.7	5%	0.047	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-88.4	-14.9	175.7	-167.8	67.8	0	0	0	112.4	I1169 T1182 P1185 E1189 S1190	I1169-L1187 HydrophobicContact CD1-CD1 3.62Å; T1182-L1187 HydrophobicContact CG2-CB 4.06Å; T1182-L1187 HydrophobicContact CG2-CD2 4.04Å; T1182-L1187 HydrophobicContact CG2-CG 4.44Å; P1185-L1187 VanDerWaalsContact C-N 3.28Å; P1185-L1187 PolarHBondContact O-N 3.44Å; L1187-E1189 VanDerWaalsContact C-N 3.35Å; L1187-S1190 PolarHBondContact O-OG 3.22Å
1188	L	82.6	Confident	85.8	Confident	4 Å²	4	32 Å²	32	2%	0.021	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-27.1	174.6	-65	171.6	0	0	0	112.4	V29 V31 P1185 S1190 A1191 F1194 A1214 K1215 V1218	V29-L1188 HydrophobicContact CB-CD2 4.27Å; V29-L1188 HydrophobicContact CG1-CD2 3.65Å; V31-L1188 HydrophobicContact CG1-CD2 3.67Å; P1185-L1188 WeakPolarHBondContact O-CB 3.36Å; P1185-L1188 PolarHBondContact O-N 3.22Å; P1185-L1188 VanDerWaalsContact O-N 3.13Å; L1188-S1190 PolarHBondContact O-N 3.29Å; L1188-A1191 PolarHBondContact O-N 3.2Å; L1188-F1194 HydrophobicContact CB-CE1 4.06Å; L1188-F1194 HydrophobicContact CD2-CD1 3.84Å; L1188-F1194 HydrophobicContact CD2-CE1 3.83Å; L1188-F1194 WeakPolarHBondContact O-CE1 3.38Å; L1188-F1194 WeakPolarHBondContact O-CZ 3.5Å; L1188-A1214 HydrophobicContact CD2-CB 4.24Å; L1188-K1215 HydrophobicContact CD1-CG 4.26Å; L1188-V1218 HydrophobicContact CD1-CB 4.41Å; L1188-V1218 HydrophobicContact CD1-CG2 3.87Å
1189	E	80.2	Confident	85.7	Confident	122 Å²	122	36.9 Å²	36.9	57%	0.57	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-24.5	-176.9	-64.6	-174.3	169.3	0	0	113.2	L1187	L1187-E1189 VanDerWaalsContact C-N 3.35Å
1190	S	78.3	Confident	85.3	Confident	20 Å²	20	45.3 Å²	45.3	14%	0.14	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	9.7	-175.5	57.6	0	0	0	0	114.6	H27 L1187 L1188	H27-S1190 PolarHBondContact CE1-OG 3.45Å; H27-S1190 VanDerWaalsContact ND1-C 3.34Å; H27-S1190 PolarHBondContact ND1-O 3.41Å; H27-S1190 PolarHBondContact ND1-OG 3.3Å; L1187-S1190 PolarHBondContact O-OG 3.22Å; L1188-S1190 PolarHBondContact O-N 3.29Å
1191	A	85.4	Confident	85	Confident	17 Å²	17	52.2 Å²	52.2	14%	0.14	24%	0.244	C	C	.	.			trans	-93.5	139.5	-175	0	0	0	0	0	112.8	V29 L1188 F1194	V29-A1191 HydrophobicContact CB-CB 4Å; V29-A1191 HydrophobicContact CG2-CB 3.36Å; L1188-A1191 PolarHBondContact O-N 3.2Å; A1191-F1194 HydrophobicContact CB-CD1 4.18Å; A1191-F1194 HydrophobicContact CB-CE1 3.58Å; A1191-F1194 HydrophobicContact CB-CE2 4.46Å; A1191-F1194 HydrophobicContact CB-CZ 3.73Å
1192	D	85.9	Confident	84.7	Confident	82 Å²	82	58.3 Å²	58.3	44%	0.439	27%	0.271	S	S	.	.	S	Bend	trans	-86.2	-32.4	174.7	-60.6	-74.2	0	0	0	112.2	K26 H27	K26-D1192 WeakPolarHBondContact CB-OD2 3.48Å; H27-D1192 PolarHBondContact N-OD2 3.49Å; H27-D1192 PolarHBondContact O-N 3.32Å
1193	K	89.9	Confident	84.8	Confident	78 Å²	78	58.4 Å²	58.4	34%	0.339	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	144.8	177.1	-72.1	-168.1	-177.1	-172.7	0	111.7	P22 H27 N28 V29 Y1195	P22-K1193 PolarHBondContact O-NZ 2.95Å; H27-K1193 PolarHBondContact O-N 3.26Å; N28-K1193 WeakPolarHBondContact CA-O 3.07Å; V29-K1193 PolarHBondContact N-O 3.4Å; K1193-Y1195 HydrophobicContact CB-CE2 4.03Å
1194	F	90.6	Very high	85.1	Confident	23 Å²	23	56.3 Å²	56.3	10%	0.101	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	135.5	-179	-53.6	-90.9	0	0	0	110.5	V29 L1188 A1191 V1208 I1209 A1211 A1214	V29-F1194 HydrophobicContact CB-CD1 4.47Å; V29-F1194 WeakPolarHBondContact O-CA 3.21Å; L1188-F1194 HydrophobicContact CB-CE1 4.06Å; L1188-F1194 HydrophobicContact CD2-CD1 3.84Å; L1188-F1194 HydrophobicContact CD2-CE1 3.83Å; L1188-F1194 WeakPolarHBondContact O-CE1 3.38Å; L1188-F1194 WeakPolarHBondContact O-CZ 3.5Å; A1191-F1194 HydrophobicContact CB-CD1 4.18Å; A1191-F1194 HydrophobicContact CB-CE1 3.58Å; A1191-F1194 HydrophobicContact CB-CE2 4.46Å; A1191-F1194 HydrophobicContact CB-CZ 3.73Å; F1194-V1208 WeakPolarHBondContact O-CA 3.45Å; F1194-I1209 HydrophobicContact CB-CG1 3.86Å; F1194-I1209 PolarHBondContact O-N 3.5Å; F1194-A1211 HydrophobicContact CD2-CB 4Å; F1194-A1211 HydrophobicContact CE2-CB 3.47Å; F1194-A1211 VanDerWaalsContact CE2-CB 3.47Å; F1194-A1211 HydrophobicContact CZ-CB 3.8Å; F1194-A1214 HydrophobicContact CB-CB 4.16Å; F1194-A1214 HydrophobicContact CD1-CB 3.78Å; F1194-A1214 HydrophobicContact CE1-CB 4.49Å; F1194-A1214 HydrophobicContact CG-CB 4.11Å
1195	Y	90.7	Very high	85.3	Confident	1 Å²	1	54.3 Å²	54.3	0%	0.004	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	132.3	176.8	-66.9	-94.2	0	0	0	109.5	V20 D21 P22 F23 N28 V29 I30 V31 K1193 I1206 D1207 V1208	V20-Y1195 HydrophobicContact CG1-CD1 3.84Å; V20-Y1195 HydrophobicContact CG1-CE1 3.45Å; V20-Y1195 VanDerWaalsContact CG1-CE1 3.45Å; D21-Y1195 HydrophobicContact CB-CE1 4.49Å; D21-Y1195 PolarHBondContact O-OH 3.18Å; P22-Y1195 PolarHBondContact O-OH 3.02Å; F23-Y1195 WeakPolarHBondContact CA-OH 3.2Å; F23-Y1195 HydrophobicContact CD1-CD2 4.38Å; F23-Y1195 AromaticContact CD1-CE2 3.55Å; F23-Y1195 HydrophobicContact CD1-CE2 3.55Å; F23-Y1195 AromaticContact CD1-CZ 3.69Å; F23-Y1195 HydrophobicContact CE1-CD2 4.06Å; F23-Y1195 HydrophobicContact CE1-CE1 4.37Å; F23-Y1195 AromaticContact CE1-CE2 3.63Å; F23-Y1195 HydrophobicContact CE1-CE2 3.63Å; F23-Y1195 AromaticContact CE1-CZ 3.79Å; F23-Y1195 PolarHBondContact N-OH 3.01Å; N28-Y1195 HydrophobicContact CB-CE2 4.27Å; V29-Y1195 PolarHBondContact O-N 3.02Å; I30-Y1195 CarbonylContact C-O 2.8Å; I30-Y1195 WeakPolarHBondContact CA-O 3.44Å; V31-Y1195 PolarHBondContact N-O 2.62Å; K1193-Y1195 HydrophobicContact CB-CE2 4.03Å; Y1195-I1206 HydrophobicContact CD1-CD1 4.41Å; Y1195-I1206 HydrophobicContact CD1-CG1 4.34Å; Y1195-D1207 CarbonylContact C-O 3.31Å; Y1195-D1207 WeakPolarHBondContact CA-O 3.49Å; Y1195-V1208 HydrophobicContact CD1-CG2 3.91Å; Y1195-V1208 HydrophobicContact CE1-CG2 3.52Å
1196	G	89.1	Confident	85.7	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	122.8	178.5	0	0	0	0	0	111.2	V31 D1207	V31-G1196 CarbonylContact O-C 3.6Å; V31-G1196 WeakPolarHBondContact O-CA 3.42Å; G1196-D1207 PolarHBondContact N-O 2.67Å; G1196-D1207 PolarHBondContact O-N 2.57Å
1197	V	89.4	Confident	86	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.012	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	120.8	173.9	-172.8	0	0	0	0	110	I30 V31 S36 K38 H1205 I1206	I30-V1197 HydrophobicContact CG2-CG2 3.62Å; V31-V1197 PolarHBondContact O-N 3.13Å; S36-V1197 WeakPolarHBondContact O-CG1 3.27Å; K38-V1197 HydrophobicContact CG-CB 4.08Å; K38-V1197 HydrophobicContact CG-CG2 4.04Å; V1197-H1205 CarbonylContact C-O 3.42Å; V1197-H1205 WeakPolarHBondContact CA-O 3.3Å; V1197-I1206 HydrophobicContact CG2-CB 4.26Å; V1197-I1206 HydrophobicContact CG2-CD1 4.12Å; V1197-I1206 HydrophobicContact CG2-CG1 4.09Å
1198	K	87.6	Confident	86.4	Confident	71 Å²	71	57 Å²	57	31%	0.309	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	137	178.3	-64.8	171.1	-171.3	155.8	0	109.8	S1204 H1205 D1207	K1198-S1204 WeakPolarHBondContact O-CA 3.05Å; K1198-H1205 PolarHBondContact N-O 3.04Å; K1198-H1205 PolarHBondContact O-N 3.41Å; K1198-D1207 IonicContact NZ-OD2 3.23Å
1199	F	87	Confident	86.8	Confident	101 Å²	101	57.4 Å²	57.4	44%	0.443	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	115.7	174.3	-173.4	-110.4	0	0	0	109.7	K1202	F1199-K1202 VanDerWaalsContact CE2-C 3.44Å; F1199-K1202 VanDerWaalsContact CZ-CA 3.45Å; F1199-K1202 HydrophobicContact CZ-CB 4.35Å
1200	R	83.3	Confident	87.2	Confident	177 Å²	177	55.2 Å²	55.2	67%	0.668	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.2	141.4	178.8	-69.2	-172.3	176.6	-176.2	-1.1	109.4	K1202 V1203	R1200-K1202 PolarHBondContact O-N 2.9Å; R1200-V1203 PolarHBondContact N-O 3.34Å; R1200-V1203 PolarHBondContact O-N 2.69Å
1201	N	82.4	Confident	87.5	Confident	146 Å²	146	56.4 Å²	56.4	78%	0.781	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	38.9	176.6	-56.8	-23.2	0	0	0	114.1	V1203	N1201-V1203 PolarHBondContact O-N 3.01Å
1202	K	83.1	Confident	87.5	Confident	128 Å²	128	62.5 Å²	62.5	56%	0.557	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	16.9	-174.9	-59.3	-175.7	175.8	-176.9	0	115.7	H66 T69 F1199 R1200	H66-K1202 PolarHBondContact CE1-O 3.34Å; T69-K1202 HydrophobicContact CG2-CD 4.34Å; F1199-K1202 VanDerWaalsContact CE2-C 3.44Å; F1199-K1202 VanDerWaalsContact CZ-CA 3.45Å; F1199-K1202 HydrophobicContact CZ-CB 4.35Å; R1200-K1202 PolarHBondContact O-N 2.9Å
1203	V	86.8	Confident	87.4	Confident	3 Å²	3	63 Å²	63	2%	0.018	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	133	177.7	-177.4	0	0	0	0	110.4	S13 R15 R1200 N1201 H1205	S13-V1203 WeakPolarHBondContact O-CA 3.29Å; R15-V1203 HydrophobicContact CB-CG1 3.98Å; R15-V1203 HydrophobicContact CB-CG2 3.87Å; R1200-V1203 PolarHBondContact N-O 3.34Å; R1200-V1203 PolarHBondContact O-N 2.69Å; N1201-V1203 PolarHBondContact O-N 3.01Å; V1203-H1205 PolarHBondContact O-ND1 3.39Å
1204	S	88.6	Confident	87	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	136.4	173.5	-65.3	0	0	0	0	110.6	S13 Y14 S36 K1198	S13-S1204 VanDerWaalsContact CB-OG 3.23Å; S13-S1204 WeakPolarHBondContact CB-OG 3.41Å; S13-S1204 PolarHBondContact O-N 3.43Å; S13-S1204 PolarHBondContact OG-OG 3.41Å; Y14-S1204 VanDerWaalsContact CD1-O 3.26Å; Y14-S1204 WeakPolarHBondContact CD1-O 3.48Å; S36-S1204 PolarHBondContact O-OG 2.83Å; K1198-S1204 WeakPolarHBondContact O-CA 3.05Å
1205	H	87.3	Confident	86.6	Confident	73 Å²	73	62.7 Å²	62.7	34%	0.338	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	145.6	172.9	-59.1	72.8	0	0	0	108.6	V1197 K1198 V1203	V1197-H1205 CarbonylContact C-O 3.42Å; V1197-H1205 WeakPolarHBondContact CA-O 3.3Å; K1198-H1205 PolarHBondContact N-O 3.04Å; K1198-H1205 PolarHBondContact O-N 3.41Å; V1203-H1205 PolarHBondContact O-ND1 3.39Å
1206	I	89.6	Confident	86.1	Confident	6 Å²	6	67 Å²	67	3%	0.031	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	124.1	177.9	-178.8	171.5	0	0	0	108.7	Y14 T18 V20 I30 F41 Y1195 V1197	Y14-I1206 HydrophobicContact CE1-CG2 4.36Å; T18-I1206 HydrophobicContact CG2-CG2 3.61Å; V20-I1206 HydrophobicContact CG1-CD1 4.43Å; V20-I1206 HydrophobicContact CG2-CD1 4.47Å; V20-I1206 HydrophobicContact CG2-CG2 3.63Å; I30-I1206 HydrophobicContact CG2-CD1 4.39Å; F41-I1206 HydrophobicContact CD2-CD1 4.23Å; F41-I1206 HydrophobicContact CE2-CD1 4.18Å; F41-I1206 HydrophobicContact CG-CD1 4.46Å; F41-I1206 HydrophobicContact CZ-CD1 4.32Å; Y1195-I1206 HydrophobicContact CD1-CD1 4.41Å; Y1195-I1206 HydrophobicContact CD1-CG1 4.34Å; V1197-I1206 HydrophobicContact CG2-CB 4.26Å; V1197-I1206 HydrophobicContact CG2-CD1 4.12Å; V1197-I1206 HydrophobicContact CG2-CG1 4.09Å
1207	D	88.4	Confident	85.5	Confident	78 Å²	78	69.7 Å²	69.7	42%	0.417	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	155.6	-179.4	-54.8	-44.5	0	0	0	109.8	Y1195 G1196 K1198	Y1195-D1207 CarbonylContact C-O 3.31Å; Y1195-D1207 WeakPolarHBondContact CA-O 3.49Å; G1196-D1207 PolarHBondContact N-O 2.67Å; G1196-D1207 PolarHBondContact O-N 2.57Å; K1198-D1207 IonicContact NZ-OD2 3.23Å
1208	V	88.9	Confident	84.8	Confident	66 Å²	66	70.6 Å²	70.6	40%	0.4	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	133.5	167.8	179	0	0	0	0	109.1	D21 F1194 Y1195	D21-V1208 HydrophobicContact CB-CG2 3.58Å; D21-V1208 WeakPolarHBondContact OD2-CG2 3.49Å; F1194-V1208 WeakPolarHBondContact O-CA 3.45Å; Y1195-V1208 HydrophobicContact CD1-CG2 3.91Å; Y1195-V1208 HydrophobicContact CE1-CG2 3.52Å
1209	I	90.1	Very high	83.8	Confident	11 Å²	11	73 Å²	73	6%	0.056	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	161.8	176.9	62.1	171.6	0	0	0	110.6	V31 F1194 Q1213 A1214 F1217	V31-I1209 HydrophobicContact CG2-CD1 3.49Å; V31-I1209 VanDerWaalsContact CG2-CD1 3.49Å; F1194-I1209 HydrophobicContact CB-CG1 3.86Å; F1194-I1209 PolarHBondContact O-N 3.5Å; I1209-Q1213 HydrophobicContact CB-CB 4.32Å; I1209-A1214 HydrophobicContact CD1-CB 3.74Å; I1209-A1214 HydrophobicContact CG1-CB 4.33Å; I1209-F1217 HydrophobicContact CD1-CD2 4.08Å; I1209-F1217 HydrophobicContact CD1-CE2 4.44Å
1210	T	88.9	Confident	82.4	Confident	76 Å²	76	72.3 Å²	72.3	47%	0.466	36%	0.358	S	S	.	.			trans	-77	156.6	173.9	59.4	0	0	0	0	111.2	E1212 Q1213 A1214	T1210-E1212 PolarHBondContact O-N 3.44Å; T1210-Q1213 PolarHBondContact O-N 3.03Å; T1210-Q1213 WeakPolarHBondContact OG1-CB 3.42Å; T1210-Q1213 VanDerWaalsContact OG1-CG 3.25Å; T1210-Q1213 WeakPolarHBondContact OG1-CG 3.05Å; T1210-Q1213 PolarHBondContact OG1-N 3.01Å; T1210-Q1213 PolarHBondContact OG1-OE1 2.8Å; T1210-A1214 PolarHBondContact O-N 3.15Å
1211	A	85.5	Confident	80.9	Confident	45 Å²	45	67.2 Å²	67.2	37%	0.372	34%	0.344	S	S	.	.	H	α-helix	trans	-55.8	-36.5	176	0	0	0	0	0	113.4	F1194 A1214 K1215	F1194-A1211 HydrophobicContact CD2-CB 4Å; F1194-A1211 HydrophobicContact CE2-CB 3.47Å; F1194-A1211 VanDerWaalsContact CE2-CB 3.47Å; F1194-A1211 HydrophobicContact CZ-CB 3.8Å; A1211-A1214 PolarHBondContact O-N 2.91Å; A1211-K1215 WeakPolarHBondContact O-CG 3.16Å; A1211-K1215 PolarHBondContact O-N 3.44Å
1212	E	83.9	Confident	79.4	Confident	145 Å²	145	66 Å²	66	68%	0.678	34%	0.342	S	S	*	.	H	α-helix	trans	-64.7	-52	178.3	-168.8	169.7	-162.7	0	0	111	T1210 A1214 K1215 D1216	T1210-E1212 PolarHBondContact O-N 3.44Å; E1212-A1214 PolarHBondContact O-N 2.95Å; E1212-K1215 WeakPolarHBondContact O-CB 3.2Å; E1212-K1215 PolarHBondContact O-N 3.5Å; E1212-D1216 PolarHBondContact O-N 3.33Å
1213	Q	83.7	Confident	77.7	Confident	92 Å²	92	64.5 Å²	64.5	43%	0.43	34%	0.344	S	S	.	.	H	α-helix	trans	-56.5	-36.7	172.4	-70	172.5	-10.6	0	0	113	I1209 T1210 D1216 F1217	I1209-Q1213 HydrophobicContact CB-CB 4.32Å; T1210-Q1213 PolarHBondContact O-N 3.03Å; T1210-Q1213 WeakPolarHBondContact OG1-CB 3.42Å; T1210-Q1213 VanDerWaalsContact OG1-CG 3.25Å; T1210-Q1213 WeakPolarHBondContact OG1-CG 3.05Å; T1210-Q1213 PolarHBondContact OG1-N 3.01Å; T1210-Q1213 PolarHBondContact OG1-OE1 2.8Å; Q1213-D1216 PolarHBondContact O-N 2.74Å; Q1213-F1217 WeakPolarHBondContact O-CD2 3.47Å; Q1213-F1217 PolarHBondContact O-N 3.47Å
1214	A	82.1	Confident	75.9	Confident	0 Å²	0	72 Å²	72	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-67.8	-36.4	177.7	0	0	0	0	0	112.4	V31 L1188 F1194 I1209 T1210 A1211 E1212 V1218	V31-A1214 HydrophobicContact CG2-CB 4.03Å; L1188-A1214 HydrophobicContact CD2-CB 4.24Å; F1194-A1214 HydrophobicContact CB-CB 4.16Å; F1194-A1214 HydrophobicContact CD1-CB 3.78Å; F1194-A1214 HydrophobicContact CE1-CB 4.49Å; F1194-A1214 HydrophobicContact CG-CB 4.11Å; I1209-A1214 HydrophobicContact CD1-CB 3.74Å; I1209-A1214 HydrophobicContact CG1-CB 4.33Å; T1210-A1214 PolarHBondContact O-N 3.15Å; A1211-A1214 PolarHBondContact O-N 2.91Å; E1212-A1214 PolarHBondContact O-N 2.95Å; A1214-V1218 PolarHBondContact O-N 3.09Å
1215	K	82.6	Confident	73.5	Confident	96 Å²	96	79 Å²	79	42%	0.417	45%	0.45	S	S	.	.	H	α-helix	trans	-68.3	-44.2	172.5	-72.9	-178.2	177.7	-171.9	0	111.3	L1188 A1211 E1212 F1217 V1218 E1219	L1188-K1215 HydrophobicContact CD1-CG 4.26Å; A1211-K1215 WeakPolarHBondContact O-CG 3.16Å; A1211-K1215 PolarHBondContact O-N 3.44Å; E1212-K1215 WeakPolarHBondContact O-CB 3.2Å; E1212-K1215 PolarHBondContact O-N 3.5Å; K1215-F1217 VanDerWaalsContact C-N 3.3Å; K1215-F1217 PolarHBondContact O-N 2.88Å; K1215-V1218 PolarHBondContact O-N 2.81Å; K1215-E1219 PolarHBondContact O-N 3.37Å
1216	D	80.8	Confident	72.8	Confident	91 Å²	91	79.3 Å²	79.3	49%	0.487	46%	0.456	S	S	.	.	H	α-helix	trans	-57	-44.1	174.6	-70.2	-7.2	0	0	0	111.2	E1212 Q1213 V1218 E1219 D1220	E1212-D1216 PolarHBondContact O-N 3.33Å; Q1213-D1216 PolarHBondContact O-N 2.74Å; D1216-V1218 PolarHBondContact O-N 3.08Å; D1216-V1218 VanDerWaalsContact O-N 3.14Å; D1216-E1219 PolarHBondContact O-N 3.4Å; D1216-D1220 WeakPolarHBondContact O-CB 3.36Å; D1216-D1220 PolarHBondContact O-N 2.68Å
1217	F	75.1	Confident	71.9	Confident	57 Å²	57	83.2 Å²	83.2	25%	0.25	48%	0.478	C	S	.	.	H	α-helix	trans	-58.5	-27.3	176.7	-96.2	-68.1	0	0	0	113.9	V31 I1209 Q1213 K1215	V31-F1217 HydrophobicContact CG2-CB 4.49Å; I1209-F1217 HydrophobicContact CD1-CD2 4.08Å; I1209-F1217 HydrophobicContact CD1-CE2 4.44Å; Q1213-F1217 WeakPolarHBondContact O-CD2 3.47Å; Q1213-F1217 PolarHBondContact O-N 3.47Å; K1215-F1217 VanDerWaalsContact C-N 3.3Å; K1215-F1217 PolarHBondContact O-N 2.88Å
1218	V	74.5	Confident	71	Confident	20 Å²	20	83.4 Å²	83.4	12%	0.121	48%	0.481	C	S	.	.	H	α-helix	trans	-91	-34.5	-179.8	170.6	0	0	0	0	111.8	V31 F1183 P1185 L1188 A1214 K1215 D1216	V31-V1218 HydrophobicContact CG1-CG2 4.42Å; F1183-V1218 VanDerWaalsContact O-CG1 3.32Å; F1183-V1218 WeakPolarHBondContact O-CG1 3.42Å; P1185-V1218 HydrophobicContact CB-CG1 4.27Å; P1185-V1218 HydrophobicContact CG-CG1 4.49Å; L1188-V1218 HydrophobicContact CD1-CB 4.41Å; L1188-V1218 HydrophobicContact CD1-CG2 3.87Å; A1214-V1218 PolarHBondContact O-N 3.09Å; K1215-V1218 PolarHBondContact O-N 2.81Å; D1216-V1218 PolarHBondContact O-N 3.08Å; D1216-V1218 VanDerWaalsContact O-N 3.14Å
1219	E	68	Low	69.9	Low	123 Å²	123	84.5 Å²	84.5	58%	0.575	49%	0.486	S	S	*	.	H	α-helix	trans	-81	-34	178.7	-69.6	-172.2	177.9	0	0	113.4	K1215 D1216 D1221 T1222	K1215-E1219 PolarHBondContact O-N 3.37Å; D1216-E1219 PolarHBondContact O-N 3.4Å; E1219-D1221 VanDerWaalsContact C-N 3.31Å; E1219-D1221 PolarHBondContact O-N 2.98Å; E1219-T1222 WeakPolarHBondContact O-CB 3.36Å; E1219-T1222 PolarHBondContact O-N 3.29Å; E1219-T1222 VanDerWaalsContact O-N 3.16Å; E1219-T1222 PolarHBondContact O-OG1 3.09Å
1220	D	57.3	Low	68.7	Low	86 Å²	86	89.1 Å²	89.1	46%	0.46	51%	0.513	S	S	.	.	G	3₁₀ helix	trans	-72.9	-21.4	-176.9	-157.9	31.4	0	0	0	112.8	D1216 T1222 T1223	D1216-D1220 WeakPolarHBondContact O-CB 3.36Å; D1216-D1220 PolarHBondContact O-N 2.68Å; D1220-T1222 PolarHBondContact O-N 3.31Å; D1220-T1223 PolarHBondContact O-N 3.02Å; D1220-T1223 PolarHBondContact O-OG1 2.88Å; D1220-T1223 VanDerWaalsContact O-OG1 3.14Å
1221	D	52.1	Low	67.3	Low	70 Å²	70	89.9 Å²	89.9	37%	0.374	52%	0.516	S	S	.	.	G	3₁₀ helix	trans	-70.1	-11.2	172.5	-142	26.6	0	0	0	112	E1219	E1219-D1221 VanDerWaalsContact C-N 3.31Å; E1219-D1221 PolarHBondContact O-N 2.98Å
1222	T	49.3	Very low	66	Low	120 Å²	120	93.1 Å²	93.1	74%	0.736	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-89.9	-16.3	176.9	-1.8	0	0	0	0	113.9	E1219 D1220	E1219-T1222 WeakPolarHBondContact O-CB 3.36Å; E1219-T1222 PolarHBondContact O-N 3.29Å; E1219-T1222 VanDerWaalsContact O-N 3.16Å; E1219-T1222 PolarHBondContact O-OG1 3.09Å; D1220-T1222 PolarHBondContact O-N 3.31Å
1223	T	47.4	Very low	64.6	Low	96 Å²	96	89.2 Å²	89.2	59%	0.589	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	-22	-171.6	36.9	0	0	0	0	114.7	D1220	D1220-T1223 PolarHBondContact O-N 3.02Å; D1220-T1223 PolarHBondContact O-OG1 2.88Å; D1220-T1223 VanDerWaalsContact O-OG1 3.14Å
1224	H	48.9	Very low	63.1	Low	162 Å²	162	88.9 Å²	88.9	75%	0.75	52%	0.522	S	S	*	.			trans	-137.6	79.7	176.4	-73.5	-58	0	0	0	111.2
1225	G	38.6	Very low	61.3	Low	146 Å²	146	97 Å²	97	100%	1.505	57%	0.57	S	S	*	*			trans	-90.1	0	164.1	0	0	0	0	0	111.9

Retrieved 1,225 of 1,225 residues in 581.9 ms (Link to these results)

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