A0A077ZJ79_TRITR Loading...

ACCA and HHH 6 and tRNA anti-codon and DNA pol3 a lpha domain containing protein

Component of the acetyl coenzyme A carboxylase (ACC) complex. First, biotin carboxylase catalyzes the carboxylation of biotin on its carrier protein (BCCP) and then the CO(2) group is transferred by the carboxyltransferase to acetyl-CoA to form malonyl-CoA.

AlphaFold DB , UniProt , Accession A0A077ZJ79, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 893 aa.

						>A0A077ZJ79_TRITR|A0A077ZJ79
MINKRRSKNGEPPLDIAAIPLDDKKSFDMLQRSETTAVFQLESRGMKDLIKRLQPDCFEDMIALVALFRPGPLQSGMVDNFIDRKHGREEISYPDVQWQHESLKPVLEPTYGIILYQEQVMQIAQVLSGYTLGGADMLRRAMGKKKPEEMAKQRSVFAEGAEKNGINAELAMKIFDLVEKFAGYGFNKSHSAAYALVSYQTLWLKAHYPAEFMAAVMTADMDNTEKVVGLVDECWRMGLKILPPDINSGLYHFHVNDDGEIVYGIGAIKGVGEGPIEAIIEARNKGGYFRELFDLCARTDTKKLNRRVLEKLIMSGAFDRLGPHRAALMNSLGDALKAADQHAKAEAIGQADMFGVLAEEPEQIEQSYASCQPWPEQVVLDGERETLGLYLTGHPINQYLKEIERYVGGVRLKDMHPTERGKVITAAGLVVAARVMVTKRGNRIGICTLDDRSGRLEVMLFTDALDKYQQLLEKDRILIVSGQVSFDDFSGGLKMTAREVMDIDEAREKYARGLAISLTDRQIDDQLLNRLRQSLEPHRSGTIPVHLYYQRADARARLRFGATWRVSPSDRLLNDLRGLIGSEQPIAELEAKIDSLTAVSRQDEKLDINIDEEVHRLREKSVELTRKIFADLGAWQIAQLARHPQRPYTLDYVRLAFDEFDELAGDRAYADDKAIVGGIARLDGRPVMIIGHQKGRETKEKIRRNFGMPAPEGYRKALRLMQMAERFKMPIITFIDTPGAYPGVGAEERGQSEAIARNLREMSRLSVPTICTVIGEGGSGGALAIGVGDKVNMLQYSTYSVISPEGCASILWKSADKAPLAAEAMGIIAPRLKELKLIDSIIPEPLGGAHRNPEAMAASLKAQLLADLADLDVLSTEDLKNRRYQRLMSYGYA
					

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(Predicted Aligned Error values between residue pairs)

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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	80.4	Confident	85.2	Confident	87 Å²	87	90 Å²	90	43%	0.429	47%	0.469	S	S	.	.				0	-57.3	0	-69.1	176.8	-85.1	0	0	111.1	N3 K4 R5 E211 A214 A215 V255	M1-N3 PolarHBondContact O-N 3.38Å; M1-K4 WeakPolarHBondContact O-CB 3.39Å; M1-K4 PolarHBondContact O-N 3.11Å; M1-R5 PolarHBondContact O-N 2.63Å; M1-E211 HydrophobicContact CB-CB 4.02Å; M1-E211 HydrophobicContact CB-CG 3.9Å; M1-A214 HydrophobicContact CE-CB 3.93Å; M1-A214 HydrophobicContact SD-CB 3.92Å; M1-A215 HydrophobicContact CE-CB 3.9Å; M1-V255 HydrophobicContact SD-CG2 4.27Å
2	I	85.5	Confident	85.6	Confident	25 Å²	25	90.5 Å²	90.5	13%	0.128	48%	0.482	C	S	.	.	H	α-helix	trans	-49.5	-52.5	179.7	-59.3	170.3	0	0	0	113.4	K4 R5 R6 L14 L204 Y208 E211	I2-K4 PolarHBondContact O-N 3.16Å; I2-R5 WeakPolarHBondContact O-CB 3.36Å; I2-R5 PolarHBondContact O-N 3.3Å; I2-R5 VanDerWaalsContact O-N 3.08Å; I2-R6 HydrophobicContact CG2-CG 4.3Å; I2-R6 PolarHBondContact O-N 3.5Å; I2-L14 HydrophobicContact CG2-CB 4.36Å; I2-L14 HydrophobicContact CG2-CD2 4.18Å; I2-L204 HydrophobicContact CD1-CD2 3.59Å; I2-Y208 HydrophobicContact CD1-CD2 4Å; I2-Y208 HydrophobicContact CD1-CG 3.96Å; I2-Y208 HydrophobicContact CG1-CD1 4.43Å; I2-Y208 HydrophobicContact CG1-CD2 4.41Å; I2-Y208 HydrophobicContact CG1-CG 4.01Å; I2-Y208 HydrophobicContact CG2-CD1 4.1Å; I2-Y208 HydrophobicContact CG2-CD2 3.98Å; I2-Y208 HydrophobicContact CG2-CE1 4.1Å; I2-Y208 HydrophobicContact CG2-CE2 3.96Å; I2-Y208 HydrophobicContact CG2-CG 4.05Å; I2-E211 HydrophobicContact CD1-CB 4.39Å; I2-E211 HydrophobicContact CG1-CB 3.59Å; I2-E211 HydrophobicContact CG1-CG 4.04Å
3	N	88.4	Confident	86	Confident	76 Å²	76	91.2 Å²	91.2	41%	0.406	49%	0.494	S	S	.	.	H	α-helix	trans	-63.8	-26.3	-179.1	-70.7	-15.7	0	0	0	113.8	M1 S7 L14	M1-N3 PolarHBondContact O-N 3.38Å; N3-S7 VanDerWaalsContact O-CB 3.26Å; N3-S7 WeakPolarHBondContact O-CB 3.37Å; N3-S7 PolarHBondContact O-N 3.19Å; N3-L14 PolarHBondContact OD1-N 2.95Å
4	K	84.2	Confident	86.5	Confident	161 Å²	161	86.9 Å²	86.9	70%	0.7	47%	0.47	S	S	*	.	H	α-helix	trans	-69.4	-43.3	173.6	-67.3	-174.3	175.9	-177.4	0	110.7	M1 I2 S7 K8	M1-K4 WeakPolarHBondContact O-CB 3.39Å; M1-K4 PolarHBondContact O-N 3.11Å; I2-K4 PolarHBondContact O-N 3.16Å; K4-S7 PolarHBondContact O-N 2.89Å; K4-K8 WeakPolarHBondContact O-CG 3.36Å; K4-K8 PolarHBondContact O-N 3.44Å; K4-K8 VanDerWaalsContact O-N 3.09Å
5	R	84.2	Confident	86.9	Confident	113 Å²	113	87.5 Å²	87.5	43%	0.426	47%	0.474	S	S	.	.	H	α-helix	trans	-64.3	-46.5	175.3	-178.2	177	177.8	-172.4	1.1	111.8	M1 I2 S7 K8 N9 E211	M1-R5 PolarHBondContact O-N 2.63Å; I2-R5 WeakPolarHBondContact O-CB 3.36Å; I2-R5 PolarHBondContact O-N 3.3Å; I2-R5 VanDerWaalsContact O-N 3.08Å; R5-S7 VanDerWaalsContact C-N 3.34Å; R5-S7 PolarHBondContact O-N 2.79Å; R5-K8 WeakPolarHBondContact O-CB 3.35Å; R5-K8 PolarHBondContact O-N 3.4Å; R5-K8 VanDerWaalsContact O-N 3.13Å; R5-N9 PolarHBondContact O-N 3.41Å; R5-E211 WeakPolarHBondContact CD-OE1 3.44Å; R5-E211 IonicContact CZ-OE1 3.38Å; R5-E211 IonicContact NE-OE1 2.96Å; R5-E211 IonicContact NH1-OE1 3.68Å; R5-E211 PolarHBondContact NH1-OE1 2.81Å; R5-E211 IonicContact NH1-OE2 2.94Å
6	R	86.2	Confident	87.2	Confident	41 Å²	41	85.3 Å²	85.3	16%	0.155	46%	0.46	C	S	.	.	H	α-helix	trans	-57.6	-46.2	174.9	-72.8	-161.3	161.4	-155.3	-6.8	112.1	I2 K8 N9 G10 E11 P12 Y208	I2-R6 HydrophobicContact CG2-CG 4.3Å; I2-R6 PolarHBondContact O-N 3.5Å; R6-K8 VanDerWaalsContact C-N 3.29Å; R6-K8 PolarHBondContact O-N 2.87Å; R6-N9 CarbonylContact O-C 3.54Å; R6-N9 WeakPolarHBondContact O-CA 3.31Å; R6-N9 PolarHBondContact O-N 3.45Å; R6-G10 PolarHBondContact O-N 3.19Å; R6-E11 CarbonylContact C-O 3.59Å; R6-E11 HydrophobicContact CB-CB 3.89Å; R6-E11 HydrophobicContact CG-CB 4.2Å; R6-E11 WeakPolarHBondContact CG-OE2 3.48Å; R6-E11 IonicContact NE-OE2 2.73Å; R6-E11 PolarHBondContact O-N 3.05Å; R6-P12 VanDerWaalsContact CD-O 3.25Å; R6-P12 WeakPolarHBondContact CD-O 3.19Å; R6-P12 PolarHBondContact NH1-O 3.34Å; R6-P12 VanDerWaalsContact NH1-O 3.1Å; R6-Y208 VanDerWaalsContact CZ-OH 3.31Å; R6-Y208 PolarHBondContact NE-OH 3.17Å; R6-Y208 PolarHBondContact NH2-OH 2.91Å
7	S	86.6	Confident	87.6	Confident	91 Å²	91	85.1 Å²	85.1	64%	0.636	47%	0.473	S	S	*	.	H	α-helix	trans	-60.9	-35.5	176.3	-175.6	0	0	0	0	113.1	N3 K4 R5 N9 G10	N3-S7 VanDerWaalsContact O-CB 3.26Å; N3-S7 WeakPolarHBondContact O-CB 3.37Å; N3-S7 PolarHBondContact O-N 3.19Å; K4-S7 PolarHBondContact O-N 2.89Å; R5-S7 VanDerWaalsContact C-N 3.34Å; R5-S7 PolarHBondContact O-N 2.79Å; S7-N9 VanDerWaalsContact C-N 3.33Å; S7-G10 PolarHBondContact O-N 3.26Å
8	K	82.5	Confident	87.9	Confident	138 Å²	138	84.6 Å²	84.6	60%	0.6	48%	0.482	S	S	*	.	H	α-helix	trans	-66.9	-35.1	173.6	-74.8	-175.2	175.6	-172.3	0	112.1	K4 R5 R6 G10 D257	K4-K8 WeakPolarHBondContact O-CG 3.36Å; K4-K8 PolarHBondContact O-N 3.44Å; K4-K8 VanDerWaalsContact O-N 3.09Å; R5-K8 WeakPolarHBondContact O-CB 3.35Å; R5-K8 PolarHBondContact O-N 3.4Å; R5-K8 VanDerWaalsContact O-N 3.13Å; R6-K8 VanDerWaalsContact C-N 3.29Å; R6-K8 PolarHBondContact O-N 2.87Å; K8-G10 VanDerWaalsContact C-N 3.29Å; K8-G10 PolarHBondContact O-N 3.26Å; K8-D257 IonicContact NZ-OD1 3.09Å; K8-D257 PolarHBondContact NZ-OD1 3.21Å; K8-D257 IonicContact NZ-OD2 2.93Å; K8-D257 PolarHBondContact NZ-OD2 2.91Å
9	N	84.6	Confident	88.2	Confident	102 Å²	102	81 Å²	81	55%	0.545	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	0.4	177.7	-66.9	-6.9	0	0	0	113.7	R5 R6 S7 E11	R5-N9 PolarHBondContact O-N 3.41Å; R6-N9 CarbonylContact O-C 3.54Å; R6-N9 WeakPolarHBondContact O-CA 3.31Å; R6-N9 PolarHBondContact O-N 3.45Å; S7-N9 VanDerWaalsContact C-N 3.33Å; N9-E11 VanDerWaalsContact C-N 3.26Å; N9-E11 HydrophobicContact CB-CG 4.08Å; N9-E11 PolarHBondContact O-N 2.63Å
10	G	86.3	Confident	88.5	Confident	71 Å²	71	80.1 Å²	80.1	73%	0.732	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	17.3	-175.1	0	0	0	0	0	114.4	R6 S7 K8	R6-G10 PolarHBondContact O-N 3.19Å; S7-G10 PolarHBondContact O-N 3.26Å; K8-G10 VanDerWaalsContact C-N 3.29Å; K8-G10 PolarHBondContact O-N 3.26Å
11	E	88.7	Confident	88.7	Confident	85 Å²	85	80.3 Å²	80.3	40%	0.397	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-89.4	145.4	178.7	-63.5	175.1	165	0	0	111.2	R6 N9	R6-E11 CarbonylContact C-O 3.59Å; R6-E11 HydrophobicContact CB-CB 3.89Å; R6-E11 HydrophobicContact CG-CB 4.2Å; R6-E11 WeakPolarHBondContact CG-OE2 3.48Å; R6-E11 IonicContact NE-OE2 2.73Å; R6-E11 PolarHBondContact O-N 3.05Å; N9-E11 VanDerWaalsContact C-N 3.26Å; N9-E11 HydrophobicContact CB-CG 4.08Å; N9-E11 PolarHBondContact O-N 2.63Å
12	P	89.7	Confident	89.3	Confident	96 Å²	96	82.5 Å²	82.5	62%	0.623	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-64	148.7	177.2	26.1	-33.7	0	0	0	111.7	R6 L14	R6-P12 VanDerWaalsContact CD-O 3.25Å; R6-P12 WeakPolarHBondContact CD-O 3.19Å; R6-P12 PolarHBondContact NH1-O 3.34Å; R6-P12 VanDerWaalsContact NH1-O 3.1Å; P12-L14 PolarHBondContact O-N 3.31Å
13	P	91.3	Very high	89.7	Confident	99 Å²	99	82.5 Å²	82.5	64%	0.643	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-50.9	139.1	174.4	-24.9	33.7	0	0	0	111.3	D15	P13-D15 PolarHBondContact O-N 3.03Å
14	L	91.9	Very high	90	Very high	31 Å²	31	86.1 Å²	86.1	16%	0.162	48%	0.483	C	S	.	.	P	Polyproline II helix	trans	-72.8	124.6	177.8	-178.8	71.7	0	0	0	109.7	I2 N3 P12 W203 L204 Y208	I2-L14 HydrophobicContact CG2-CB 4.36Å; I2-L14 HydrophobicContact CG2-CD2 4.18Å; N3-L14 PolarHBondContact OD1-N 2.95Å; P12-L14 PolarHBondContact O-N 3.31Å; L14-W203 HydrophobicContact CD1-CH2 3.58Å; L14-W203 HydrophobicContact CD1-CZ3 3.88Å; L14-W203 HydrophobicContact CD2-CH2 4.13Å; L14-W203 HydrophobicContact CD2-CZ3 3.57Å; L14-W203 HydrophobicContact CG-CZ3 4.35Å; L14-L204 HydrophobicContact CD2-CD2 3.89Å; L14-Y208 HydrophobicContact CD2-CD2 4.45Å; L14-Y208 HydrophobicContact CD2-CE2 4.19Å
15	D	92.7	Very high	90.5	Very high	97 Å²	97	84.3 Å²	84.3	52%	0.519	48%	0.475	S	S	.	.			trans	-99.8	113.7	165.8	-174.4	-3.9	0	0	0	109.5	P13 A17 A18	P13-D15 PolarHBondContact O-N 3.03Å; D15-A17 PolarHBondContact O-N 3Å; D15-A17 WeakPolarHBondContact OD1-CB 3.44Å; D15-A17 PolarHBondContact OD1-N 2.89Å; D15-A18 HydrophobicContact CB-CB 4.17Å; D15-A18 PolarHBondContact O-N 3.34Å
16	I	92.8	Very high	90.9	Very high	51 Å²	51	78.9 Å²	78.9	26%	0.262	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-70.9	-19.5	-178.4	-163.3	61.1	0	0	0	112.7	A18 I19 Q200 W203 L204	I16-A18 VanDerWaalsContact C-N 3.31Å; I16-I19 HydrophobicContact CD1-CD1 4.08Å; I16-I19 HydrophobicContact CD1-CG2 4.09Å; I16-I19 WeakPolarHBondContact O-CG1 3.19Å; I16-Q200 HydrophobicContact CD1-CB 4.1Å; I16-Q200 HydrophobicContact CD1-CG 4.22Å; I16-Q200 HydrophobicContact CG1-CB 3.86Å; I16-Q200 HydrophobicContact CG1-CG 3.73Å; I16-W203 HydrophobicContact CD1-CE3 4.26Å; I16-L204 HydrophobicContact CD1-CD1 4.02Å; I16-L204 HydrophobicContact CD1-CD2 3.98Å; I16-L204 HydrophobicContact CD1-CG 3.78Å
17	A	93.4	Very high	91.3	Very high	82 Å²	82	77.4 Å²	77.4	68%	0.678	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-77.9	-19.1	176.3	0	0	0	0	0	112.5	D15	D15-A17 PolarHBondContact O-N 3Å; D15-A17 WeakPolarHBondContact OD1-CB 3.44Å; D15-A17 PolarHBondContact OD1-N 2.89Å
18	A	92.7	Very high	91.7	Very high	76 Å²	76	75.9 Å²	75.9	63%	0.628	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-97.5	9.3	-177.1	0	0	0	0	0	113.8	D15 I16	D15-A18 HydrophobicContact CB-CB 4.17Å; D15-A18 PolarHBondContact O-N 3.34Å; I16-A18 VanDerWaalsContact C-N 3.31Å
19	I	93.6	Very high	92.1	Very high	17 Å²	17	69.8 Å²	69.8	9%	0.087	41%	0.408	C	S	.	.			trans	-70.5	144.3	179.3	66.5	178	0	0	0	111.3	I16 Y199 Q200 W203	I16-I19 HydrophobicContact CD1-CD1 4.08Å; I16-I19 HydrophobicContact CD1-CG2 4.09Å; I16-I19 WeakPolarHBondContact O-CG1 3.19Å; I19-Y199 HydrophobicContact CD1-CD1 3.88Å; I19-Y199 HydrophobicContact CD1-CE1 3.85Å; I19-Y199 HydrophobicContact CG1-CE1 4.28Å; I19-Q200 HydrophobicContact CD1-CG 3.94Å; I19-W203 HydrophobicContact CB-CD2 4.36Å; I19-W203 HydrophobicContact CB-CG 4.48Å; I19-W203 HydrophobicContact CD1-CB 3.95Å; I19-W203 HydrophobicContact CD1-CD2 4.35Å; I19-W203 HydrophobicContact CD1-CG 3.91Å; I19-W203 HydrophobicContact CG2-CD2 3.9Å; I19-W203 HydrophobicContact CG2-CE3 4.1Å; I19-W203 HydrophobicContact CG2-CG 4.47Å; I19-W203 HydrophobicContact CG2-CH2 4.31Å; I19-W203 HydrophobicContact CG2-CZ2 4.08Å; I19-W203 HydrophobicContact CG2-CZ3 4.32Å
20	P	94.4	Very high	92.6	Very high	63 Å²	63	65 Å²	65	41%	0.409	38%	0.382	S	S	.	.			trans	-64.2	143.7	172.5	26.9	-33	0	0	0	110.4	D22 D23 Y199	P20-D22 VanDerWaalsContact C-N 3.33Å; P20-D22 WeakPolarHBondContact CB-OD1 3.45Å; P20-D23 HydrophobicContact CG-CB 4.28Å; P20-Y199 WeakPolarHBondContact O-CE1 3.39Å; P20-Y199 PolarHBondContact O-OH 3.37Å
21	L	93	Very high	92.8	Very high	85 Å²	85	64.1 Å²	64.1	45%	0.445	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-0.1	179.5	-62.2	178.8	0	0	0	113.5	L196 Y199	L21-L196 HydrophobicContact CD2-CD1 4.13Å; L21-Y199 VanDerWaalsContact C-OH 3.25Å; L21-Y199 HydrophobicContact CD2-CD1 4.04Å; L21-Y199 HydrophobicContact CD2-CE1 4.01Å
22	D	93.1	Very high	92.8	Very high	132 Å²	132	66.8 Å²	66.8	71%	0.706	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.6	22.4	-177	60.4	-19.4	0	0	0	112.3	P20 K24	P20-D22 VanDerWaalsContact C-N 3.33Å; P20-D22 WeakPolarHBondContact CB-OD1 3.45Å; D22-K24 PolarHBondContact O-N 3.26Å; D22-K24 VanDerWaalsContact O-N 3.1Å
23	D	94	Very high	92.8	Very high	26 Å²	26	63.3 Å²	63.3	14%	0.139	34%	0.344	C	S	.	.			trans	-61.8	112.9	179.1	-179.6	68.9	0	0	0	112.7	P20 K25 S26 F27 Y199 H207	P20-D23 HydrophobicContact CG-CB 4.28Å; D23-K25 PolarHBondContact O-N 3.04Å; D23-K25 PolarHBondContact OD2-N 2.7Å; D23-S26 WeakPolarHBondContact O-CB 2.97Å; D23-S26 PolarHBondContact O-N 2.98Å; D23-S26 WeakPolarHBondContact OD2-CB 3.4Å; D23-S26 PolarHBondContact OD2-N 3.35Å; D23-S26 PolarHBondContact OD2-OG 2.98Å; D23-F27 VanDerWaalsContact O-CD2 3.27Å; D23-F27 WeakPolarHBondContact O-CD2 3.28Å; D23-F27 PolarHBondContact O-N 2.91Å; D23-Y199 VanDerWaalsContact CB-OH 3.28Å; D23-Y199 WeakPolarHBondContact CB-OH 3.32Å; D23-Y199 PolarHBondContact N-OH 3.41Å; D23-H207 VanDerWaalsContact CG-NE2 3.25Å; D23-H207 IonicContact OD1-CE1 3.79Å; D23-H207 PolarHBondContact OD1-CE1 2.96Å; D23-H207 IonicContact OD1-NE2 2.91Å; D23-H207 PolarHBondContact OD1-NE2 3.19Å; D23-H207 VanDerWaalsContact OD1-NE2 3.12Å; D23-H207 IonicContact OD2-CD2 3.48Å; D23-H207 IonicContact OD2-CE1 3.41Å; D23-H207 IonicContact OD2-NE2 3.08Å; D23-H207 PolarHBondContact OD2-NE2 3.17Å
24	K	93.8	Very high	92.6	Very high	151 Å²	151	61.5 Å²	61.5	66%	0.657	33%	0.327	S	S	*	.	H	α-helix	trans	-57.1	-43.4	-178.8	-180	170.2	-179.5	169.7	0	113.4	D22 S26 F27 D28	D22-K24 PolarHBondContact O-N 3.26Å; D22-K24 VanDerWaalsContact O-N 3.1Å; K24-S26 VanDerWaalsContact C-N 3.26Å; K24-S26 PolarHBondContact O-N 2.65Å; K24-F27 PolarHBondContact O-N 3.42Å; K24-D28 WeakPolarHBondContact O-CB 3.37Å; K24-D28 PolarHBondContact O-N 3.14Å
25	K	94.1	Very high	92.5	Very high	123 Å²	123	60 Å²	60	54%	0.535	32%	0.319	S	S	.	.	H	α-helix	trans	-61.7	-37	-177.9	-73.9	-173.4	-179.6	177.9	0	112.1	D23 M29 A206	D23-K25 PolarHBondContact O-N 3.04Å; D23-K25 PolarHBondContact OD2-N 2.7Å; K25-M29 PolarHBondContact O-N 3.41Å; K25-A206 HydrophobicContact CB-CB 4.42Å
26	S	94.2	Very high	92.1	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-63.7	-49.8	176.9	-59.7	0	0	0	0	110.9	D23 K24 M29 L30 L202 W203	D23-S26 WeakPolarHBondContact O-CB 2.97Å; D23-S26 PolarHBondContact O-N 2.98Å; D23-S26 WeakPolarHBondContact OD2-CB 3.4Å; D23-S26 PolarHBondContact OD2-N 3.35Å; D23-S26 PolarHBondContact OD2-OG 2.98Å; K24-S26 VanDerWaalsContact C-N 3.26Å; K24-S26 PolarHBondContact O-N 2.65Å; S26-M29 PolarHBondContact O-N 3.44Å; S26-L30 PolarHBondContact O-N 3.12Å; S26-L202 WeakPolarHBondContact O-CD2 3.47Å; S26-W203 WeakPolarHBondContact OG-CA 3.45Å
27	F	94.1	Very high	91.9	Very high	9 Å²	9	55.4 Å²	55.4	4%	0.039	30%	0.298	C	S	.	.	H	α-helix	trans	-67	-37.6	177.4	-69.3	-69.7	0	0	0	112.7	D23 K24 M29 L30 Q31 C57 F58 M61 Y199	D23-F27 VanDerWaalsContact O-CD2 3.27Å; D23-F27 WeakPolarHBondContact O-CD2 3.28Å; D23-F27 PolarHBondContact O-N 2.91Å; K24-F27 PolarHBondContact O-N 3.42Å; F27-M29 VanDerWaalsContact C-N 3.28Å; F27-M29 PolarHBondContact O-N 2.64Å; F27-L30 HydrophobicContact CD1-CD2 4.26Å; F27-L30 WeakPolarHBondContact O-CB 3.46Å; F27-L30 PolarHBondContact O-N 2.98Å; F27-L30 VanDerWaalsContact O-N 3.13Å; F27-Q31 WeakPolarHBondContact O-CB 3.44Å; F27-Q31 VanDerWaalsContact O-CG 3.28Å; F27-Q31 WeakPolarHBondContact O-CG 3.43Å; F27-Q31 PolarHBondContact O-N 3.39Å; F27-C57 VanDerWaalsContact CE1-O 3.3Å; F27-C57 WeakPolarHBondContact CE1-O 3.29Å; F27-F58 HydrophobicContact CZ-CB 4.49Å; F27-M61 HydrophobicContact CE1-CG 4.35Å; F27-M61 HydrophobicContact CE1-SD 4.16Å; F27-Y199 HydrophobicContact CE1-CE2 4.48Å; F27-Y199 AromaticContact CE2-CE2 3.81Å; F27-Y199 HydrophobicContact CE2-CE2 3.81Å; F27-Y199 HydrophobicContact CZ-CD2 4.3Å; F27-Y199 AromaticContact CZ-CE2 3.72Å; F27-Y199 HydrophobicContact CZ-CE2 3.72Å
28	D	94	Very high	91.8	Very high	59 Å²	59	51.5 Å²	51.5	32%	0.316	27%	0.265	S	S	.	.	H	α-helix	trans	-60.1	-37.7	174	-69.2	-14.5	0	0	0	111.6	K24 R32	K24-D28 WeakPolarHBondContact O-CB 3.37Å; K24-D28 PolarHBondContact O-N 3.14Å; D28-R32 WeakPolarHBondContact O-CG 3.42Å; D28-R32 PolarHBondContact O-N 3.44Å; D28-R32 PolarHBondContact O-NE 3.27Å; D28-R32 VanDerWaalsContact O-NE 3.09Å
29	M	92.7	Very high	91.9	Very high	11 Å²	11	51.4 Å²	51.4	5%	0.054	25%	0.251	C	S	.	.	H	α-helix	trans	-69.8	-40.6	174.2	-179.5	176.1	-81.7	0	0	111.9	K25 S26 F27 R32 S33 E34 L202 K205 A206 M237	K25-M29 PolarHBondContact O-N 3.41Å; S26-M29 PolarHBondContact O-N 3.44Å; F27-M29 VanDerWaalsContact C-N 3.28Å; F27-M29 PolarHBondContact O-N 2.64Å; M29-R32 PolarHBondContact O-N 2.96Å; M29-S33 PolarHBondContact O-N 3.41Å; M29-E34 HydrophobicContact CG-CB 3.89Å; M29-E34 PolarHBondContact O-N 2.84Å; M29-L202 HydrophobicContact CB-CD1 4.16Å; M29-L202 HydrophobicContact CG-CD1 4.02Å; M29-L202 HydrophobicContact SD-CD1 4.06Å; M29-K205 HydrophobicContact CE-CG 4.23Å; M29-K205 HydrophobicContact SD-CB 4.05Å; M29-K205 HydrophobicContact SD-CD 3.86Å; M29-K205 HydrophobicContact SD-CG 3.77Å; M29-A206 HydrophobicContact CE-CB 4.22Å; M29-A206 HydrophobicContact SD-CB 4.19Å; M29-M237 HydrophobicContact CE-CE 4.36Å
30	L	93.2	Very high	91.7	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.3	-44.4	177.3	-175.6	60.1	0	0	0	111.6	S26 F27 R32 S33 T35 L41 I50 P55 M61 L202	S26-L30 PolarHBondContact O-N 3.12Å; F27-L30 HydrophobicContact CD1-CD2 4.26Å; F27-L30 WeakPolarHBondContact O-CB 3.46Å; F27-L30 PolarHBondContact O-N 2.98Å; F27-L30 VanDerWaalsContact O-N 3.13Å; L30-R32 VanDerWaalsContact C-N 3.28Å; L30-R32 PolarHBondContact O-N 3.09Å; L30-S33 WeakPolarHBondContact O-CA 3.3Å; L30-S33 PolarHBondContact O-N 2.94Å; L30-T35 HydrophobicContact CD1-CG2 3.43Å; L30-T35 VanDerWaalsContact CD1-CG2 3.43Å; L30-L41 HydrophobicContact CD1-CD1 4.1Å; L30-I50 HydrophobicContact CD1-CD1 3.9Å; L30-I50 HydrophobicContact CD1-CG1 4.38Å; L30-I50 HydrophobicContact CD1-CG2 3.9Å; L30-I50 HydrophobicContact CG-CG2 4.11Å; L30-I50 WeakPolarHBondContact O-CG2 3.48Å; L30-P55 HydrophobicContact CD1-CG 4.44Å; L30-P55 HydrophobicContact CD2-CB 3.91Å; L30-P55 HydrophobicContact CD2-CG 3.34Å; L30-P55 HydrophobicContact CG-CG 3.49Å; L30-P55 VanDerWaalsContact CG-CG 3.49Å; L30-M61 HydrophobicContact CD2-CG 3.93Å; L30-M61 HydrophobicContact CD2-SD 4.09Å; L30-L202 HydrophobicContact CB-CD1 4.31Å; L30-L202 HydrophobicContact CB-CD2 3.88Å; L30-L202 HydrophobicContact CD2-CD2 4.16Å; L30-L202 HydrophobicContact CG-CD2 4.42Å
31	Q	91.9	Very high	91.4	Very high	54 Å²	54	51 Å²	51	25%	0.252	24%	0.243	S	C	.	.	H	α-helix	trans	-61	-35.4	176.7	-76.3	176.4	-13.2	0	0	112.6	F27 S33 Q54 P55	F27-Q31 WeakPolarHBondContact O-CB 3.44Å; F27-Q31 VanDerWaalsContact O-CG 3.28Å; F27-Q31 WeakPolarHBondContact O-CG 3.43Å; F27-Q31 PolarHBondContact O-N 3.39Å; Q31-S33 PolarHBondContact O-N 2.8Å; Q31-Q54 PolarHBondContact O-NE2 2.67Å; Q31-Q54 VanDerWaalsContact O-NE2 3.09Å; Q31-P55 WeakPolarHBondContact CG-O 3.32Å; Q31-P55 PolarHBondContact NE2-O 3.08Å
32	R	88.8	Confident	91	Very high	141 Å²	141	51.4 Å²	51.4	53%	0.532	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-3.5	170.8	-72.2	-178.8	-70.5	146.1	-6.2	114	D28 M29 L30 E34	D28-R32 WeakPolarHBondContact O-CG 3.42Å; D28-R32 PolarHBondContact O-N 3.44Å; D28-R32 PolarHBondContact O-NE 3.27Å; D28-R32 VanDerWaalsContact O-NE 3.09Å; M29-R32 PolarHBondContact O-N 2.96Å; L30-R32 VanDerWaalsContact C-N 3.28Å; L30-R32 PolarHBondContact O-N 3.09Å; R32-E34 HydrophobicContact CB-CG 4.01Å; R32-E34 IonicContact CZ-OE1 2.72Å; R32-E34 IonicContact CZ-OE2 2.66Å; R32-E34 IonicContact NE-OE1 3.43Å; R32-E34 IonicContact NH1-OE1 3.57Å; R32-E34 PolarHBondContact NH1-OE1 3.44Å; R32-E34 IonicContact NH1-OE2 3.87Å; R32-E34 PolarHBondContact NH1-OE2 3.42Å; R32-E34 IonicContact NH2-OE2 2.95Å; R32-E34 PolarHBondContact O-N 2.8Å
33	S	88.6	Confident	90.4	Very high	22 Å²	22	47.7 Å²	47.7	15%	0.154	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	27	-179.6	-50.8	0	0	0	0	113.8	M29 L30 Q31 T35 K51	M29-S33 PolarHBondContact O-N 3.41Å; L30-S33 WeakPolarHBondContact O-CA 3.3Å; L30-S33 PolarHBondContact O-N 2.94Å; Q31-S33 PolarHBondContact O-N 2.8Å; S33-T35 PolarHBondContact O-N 2.81Å; S33-K51 WeakPolarHBondContact OG-CB 3.48Å
34	E	87.6	Confident	89.5	Confident	61 Å²	61	51.9 Å²	51.9	29%	0.285	24%	0.241	S	C	.	.			trans	-81.7	47.1	178.9	-67.3	173.4	-169.4	0	0	111.5	M29 R32 K205	M29-E34 HydrophobicContact CG-CB 3.89Å; M29-E34 PolarHBondContact O-N 2.84Å; R32-E34 HydrophobicContact CB-CG 4.01Å; R32-E34 IonicContact CZ-OE1 2.72Å; R32-E34 IonicContact CZ-OE2 2.66Å; R32-E34 IonicContact NE-OE1 3.43Å; R32-E34 IonicContact NH1-OE1 3.57Å; R32-E34 PolarHBondContact NH1-OE1 3.44Å; R32-E34 IonicContact NH1-OE2 3.87Å; R32-E34 PolarHBondContact NH1-OE2 3.42Å; R32-E34 IonicContact NH2-OE2 2.95Å; R32-E34 PolarHBondContact O-N 2.8Å; E34-K205 PolarHBondContact O-NZ 3.1Å
35	T	89.6	Confident	88.9	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.226	C	C	.	.			trans	-98.8	14.9	-169.6	62	0	0	0	0	115.5	L30 S33 A37 V38 L41 E42 K47 I50	L30-T35 HydrophobicContact CD1-CG2 3.43Å; L30-T35 VanDerWaalsContact CD1-CG2 3.43Å; S33-T35 PolarHBondContact O-N 2.81Å; T35-A37 PolarHBondContact O-N 2.82Å; T35-V38 WeakPolarHBondContact O-CB 3.25Å; T35-V38 PolarHBondContact O-N 2.83Å; T35-V38 VanDerWaalsContact O-N 3.13Å; T35-L41 VanDerWaalsContact CB-O 3.29Å; T35-L41 WeakPolarHBondContact CB-O 3.49Å; T35-L41 HydrophobicContact CG2-CB 4.37Å; T35-L41 PolarHBondContact OG1-O 2.9Å; T35-E42 WeakPolarHBondContact O-CA 3.3Å; T35-K47 WeakPolarHBondContact OG1-CE 3.31Å; T35-K47 VanDerWaalsContact OG1-CG 3.25Å; T35-K47 WeakPolarHBondContact OG1-CG 3.2Å; T35-I50 HydrophobicContact CG2-CD1 3.87Å
36	T	85.2	Confident	88.6	Confident	41 Å²	41	40.6 Å²	40.6	25%	0.252	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	142.4	168.3	-25.4	0	0	0	0	108.5	V38 K47 K205 E233	T36-V38 PolarHBondContact O-N 3.33Å; T36-K47 PolarHBondContact OG1-NZ 2.83Å; T36-K205 PolarHBondContact O-NZ 2.91Å; T36-E233 WeakPolarHBondContact CB-OE1 3.37Å; T36-E233 VanDerWaalsContact CB-OE2 3.28Å; T36-E233 WeakPolarHBondContact CB-OE2 3.39Å; T36-E233 PolarHBondContact OG1-OE1 3.47Å
37	A	87.5	Confident	88.2	Confident	10 Å²	10	42.8 Å²	42.8	8%	0.083	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	62	2.2	-172.7	0	0	0	0	0	116.2	T35 E42 F212 V216 L230	T35-A37 PolarHBondContact O-N 2.82Å; A37-E42 WeakPolarHBondContact CA-OE2 3.45Å; A37-E42 PolarHBondContact N-OE2 3.26Å; A37-F212 HydrophobicContact CB-CE1 4.27Å; A37-V216 HydrophobicContact CB-CB 4.4Å; A37-V216 HydrophobicContact CB-CG1 3.72Å; A37-V216 HydrophobicContact CB-CG2 4.08Å; A37-L230 HydrophobicContact CB-CD2 3.89Å
38	V	92.7	Very high	87.8	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	-87.2	116.8	172.3	179	0	0	0	0	108	T35 T36 Q40 L41 E42 L202 K205	T35-V38 WeakPolarHBondContact O-CB 3.25Å; T35-V38 PolarHBondContact O-N 2.83Å; T35-V38 VanDerWaalsContact O-N 3.13Å; T36-V38 PolarHBondContact O-N 3.33Å; V38-Q40 PolarHBondContact O-N 3.19Å; V38-L41 HydrophobicContact CB-CB 4.43Å; V38-L41 HydrophobicContact CG1-CB 4.17Å; V38-L41 HydrophobicContact CG1-CD1 4.09Å; V38-L41 HydrophobicContact CG1-CG 4.41Å; V38-L41 PolarHBondContact O-N 3.07Å; V38-E42 WeakPolarHBondContact O-CG 3.33Å; V38-L202 HydrophobicContact CG1-CB 4.11Å; V38-L202 HydrophobicContact CG2-CD1 4.28Å; V38-K205 HydrophobicContact CG2-CD 4.05Å
39	F	93.1	Very high	87.6	Confident	74 Å²	74	42.1 Å²	42.1	33%	0.325	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50	131.3	-169.1	177.4	-112.6	0	0	0	112.7	L41 Y194 V197 S198 T201	F39-L41 PolarHBondContact O-N 2.84Å; F39-Y194 AromaticContact CE1-CD1 3.5Å; F39-Y194 HydrophobicContact CE1-CD1 3.5Å; F39-Y194 VanDerWaalsContact CE1-CD1 3.5Å; F39-Y194 HydrophobicContact CE1-CE1 4.16Å; F39-Y194 HydrophobicContact CE1-CG 4.38Å; F39-Y194 AromaticContact CZ-CD1 3.7Å; F39-Y194 HydrophobicContact CZ-CD1 3.7Å; F39-Y194 AromaticContact CZ-CE1 3.92Å; F39-Y194 HydrophobicContact CZ-CE1 3.92Å; F39-V197 HydrophobicContact CB-CG1 4.38Å; F39-V197 HydrophobicContact CD1-CB 3.83Å; F39-V197 HydrophobicContact CD1-CG1 3.58Å; F39-V197 HydrophobicContact CE1-CB 4.08Å; F39-V197 HydrophobicContact CE1-CG1 3.98Å; F39-V197 HydrophobicContact CG-CG1 4.07Å; F39-S198 WeakPolarHBondContact O-CB 3.45Å; F39-S198 PolarHBondContact O-OG 3.3Å; F39-T201 HydrophobicContact CB-CG2 4.12Å; F39-T201 PolarHBondContact N-OG1 3.46Å
40	Q	89.2	Confident	87.6	Confident	71 Å²	71	41.6 Å²	41.6	33%	0.332	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	-14.2	-173.6	-66.1	-166.2	-23	0	0	117.2	V38 V65 Y194	V38-Q40 PolarHBondContact O-N 3.19Å; Q40-V65 VanDerWaalsContact OE1-CG1 3.27Å; Q40-Y194 VanDerWaalsContact NE2-CD1 3.26Å
41	L	89.2	Confident	87.4	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	23%	0.229	C	C	.	.			trans	-101.7	14.2	-173.2	-56.4	-175.7	0	0	0	113.8	L30 T35 V38 F39 M46 I50 M61 V65	L30-L41 HydrophobicContact CD1-CD1 4.1Å; T35-L41 VanDerWaalsContact CB-O 3.29Å; T35-L41 WeakPolarHBondContact CB-O 3.49Å; T35-L41 HydrophobicContact CG2-CB 4.37Å; T35-L41 PolarHBondContact OG1-O 2.9Å; V38-L41 HydrophobicContact CB-CB 4.43Å; V38-L41 HydrophobicContact CG1-CB 4.17Å; V38-L41 HydrophobicContact CG1-CD1 4.09Å; V38-L41 HydrophobicContact CG1-CG 4.41Å; V38-L41 PolarHBondContact O-N 3.07Å; F39-L41 PolarHBondContact O-N 2.84Å; L41-M46 HydrophobicContact CB-CG 4.36Å; L41-M46 HydrophobicContact CD2-CE 3.87Å; L41-M46 HydrophobicContact CD2-CG 3.93Å; L41-M46 HydrophobicContact CD2-SD 4.06Å; L41-I50 HydrophobicContact CB-CD1 4.12Å; L41-I50 HydrophobicContact CD1-CD1 4.43Å; L41-I50 HydrophobicContact CD2-CD1 4.49Å; L41-M61 HydrophobicContact CD1-CE 3.91Å; L41-V65 HydrophobicContact CD2-CG2 4.49Å
42	E	84.1	Confident	87.3	Confident	94 Å²	94	50.4 Å²	50.4	44%	0.439	24%	0.239	S	C	.	.			trans	-86	-27	-167.7	-47.3	-178.7	-113.6	0	0	113.6	T35 A37 V38 K47	T35-E42 WeakPolarHBondContact O-CA 3.3Å; A37-E42 WeakPolarHBondContact CA-OE2 3.45Å; A37-E42 PolarHBondContact N-OE2 3.26Å; V38-E42 WeakPolarHBondContact O-CG 3.33Å; E42-K47 WeakPolarHBondContact O-CE 3.43Å
43	S	80.9	Confident	87.4	Confident	53 Å²	53	43.8 Å²	43.8	37%	0.371	21%	0.214	S	C	.	.	S	Bend	trans	-64.7	145.5	-172.6	79.7	0	0	0	0	111.3	G45 M46 K47 F68	S43-G45 VanDerWaalsContact C-N 3.34Å; S43-G45 PolarHBondContact O-N 3.32Å; S43-M46 WeakPolarHBondContact O-CA 3.5Å; S43-M46 WeakPolarHBondContact O-CB 3.45Å; S43-M46 PolarHBondContact O-N 3.03Å; S43-M46 WeakPolarHBondContact OG-CB 3.48Å; S43-M46 PolarHBondContact OG-N 3.16Å; S43-K47 PolarHBondContact O-N 3.5Å; S43-F68 VanDerWaalsContact OG-CE1 3.23Å; S43-F68 WeakPolarHBondContact OG-CE1 3.49Å; S43-F68 WeakPolarHBondContact OG-CZ 3.46Å
44	R	75.8	Confident	87.6	Confident	115 Å²	115	45.7 Å²	45.7	43%	0.434	22%	0.221	S	C	.	.	H	α-helix	trans	-56.4	-46.7	-179.5	177.6	172.6	160	-172.8	-12.5	112.7	M46 K47 D48 F489	R44-M46 PolarHBondContact O-N 3.01Å; R44-K47 WeakPolarHBondContact O-CB 3.39Å; R44-K47 PolarHBondContact O-N 3.45Å; R44-K47 VanDerWaalsContact O-N 3.11Å; R44-D48 PolarHBondContact O-N 3.37Å; R44-F489 VanDerWaalsContact NH2-C 3.33Å; R44-F489 PolarHBondContact NH2-O 2.78Å
45	G	80.7	Confident	87.8	Confident	32 Å²	32	42.8 Å²	42.8	33%	0.33	21%	0.207	S	C	.	.	H	α-helix	trans	-61.9	-32.1	177.8	0	0	0	0	0	112.8	S43 L49 F68	S43-G45 VanDerWaalsContact C-N 3.34Å; S43-G45 PolarHBondContact O-N 3.32Å; G45-L49 WeakPolarHBondContact O-CB 3.33Å; G45-L49 PolarHBondContact O-N 2.92Å; G45-F68 WeakPolarHBondContact O-CE2 3.27Å
46	M	87.3	Confident	88	Confident	4 Å²	4	47.2 Å²	47.2	2%	0.02	23%	0.231	C	C	.	.	H	α-helix	trans	-71.7	-40.3	174.6	-178.4	63.1	88.3	0	0	111.4	L41 S43 R44 D48 L49 I50 L64 F68	L41-M46 HydrophobicContact CB-CG 4.36Å; L41-M46 HydrophobicContact CD2-CE 3.87Å; L41-M46 HydrophobicContact CD2-CG 3.93Å; L41-M46 HydrophobicContact CD2-SD 4.06Å; S43-M46 WeakPolarHBondContact O-CA 3.5Å; S43-M46 WeakPolarHBondContact O-CB 3.45Å; S43-M46 PolarHBondContact O-N 3.03Å; S43-M46 WeakPolarHBondContact OG-CB 3.48Å; S43-M46 PolarHBondContact OG-N 3.16Å; R44-M46 PolarHBondContact O-N 3.01Å; M46-D48 VanDerWaalsContact C-N 3.31Å; M46-D48 PolarHBondContact O-N 2.86Å; M46-L49 WeakPolarHBondContact O-CB 3.35Å; M46-L49 PolarHBondContact O-N 2.97Å; M46-L49 VanDerWaalsContact O-N 3.15Å; M46-L49 HydrophobicContact SD-CD2 4.12Å; M46-I50 HydrophobicContact CG-CD1 3.84Å; M46-I50 HydrophobicContact CG-CG1 4.36Å; M46-I50 VanDerWaalsContact O-CG1 3.27Å; M46-I50 WeakPolarHBondContact O-CG1 3.41Å; M46-I50 PolarHBondContact O-N 2.88Å; M46-I50 HydrophobicContact SD-CD1 4.42Å; M46-I50 HydrophobicContact SD-CG1 4.41Å; M46-L64 HydrophobicContact SD-CB 4.34Å; M46-L64 HydrophobicContact SD-CD2 4.1Å; M46-F68 HydrophobicContact CB-CD1 4.23Å; M46-F68 HydrophobicContact CB-CD2 4.34Å; M46-F68 HydrophobicContact CB-CE1 4.14Å; M46-F68 HydrophobicContact CB-CE2 4.28Å; M46-F68 HydrophobicContact CB-CG 4.33Å; M46-F68 HydrophobicContact CB-CZ 4.17Å; M46-F68 HydrophobicContact CE-CB 3.18Å; M46-F68 HydrophobicContact CE-CD1 3.67Å; M46-F68 HydrophobicContact CE-CD2 4.36Å; M46-F68 HydrophobicContact CE-CG 3.48Å; M46-F68 VanDerWaalsContact CE-CG 3.48Å; M46-F68 VanDerWaalsContact N-CE2 3.29Å; M46-F68 VanDerWaalsContact N-CZ 3.35Å; M46-F68 HydrophobicContact SD-CB 3.9Å; M46-F68 HydrophobicContact SD-CD2 4.3Å; M46-F68 HydrophobicContact SD-CG 3.98Å
47	K	86.9	Confident	88.4	Confident	47 Å²	47	47.4 Å²	47.4	20%	0.204	23%	0.233	C	C	.	.	H	α-helix	trans	-59.5	-42.8	173.1	-71.9	-178.3	178.8	-172.9	0	112	T35 T36 E42 S43 R44 L49 I50 K51	T35-K47 WeakPolarHBondContact OG1-CE 3.31Å; T35-K47 VanDerWaalsContact OG1-CG 3.25Å; T35-K47 WeakPolarHBondContact OG1-CG 3.2Å; T36-K47 PolarHBondContact OG1-NZ 2.83Å; E42-K47 WeakPolarHBondContact O-CE 3.43Å; S43-K47 PolarHBondContact O-N 3.5Å; R44-K47 WeakPolarHBondContact O-CB 3.39Å; R44-K47 PolarHBondContact O-N 3.45Å; R44-K47 VanDerWaalsContact O-N 3.11Å; K47-L49 VanDerWaalsContact C-N 3.29Å; K47-L49 PolarHBondContact O-N 2.96Å; K47-I50 PolarHBondContact O-N 3.28Å; K47-K51 WeakPolarHBondContact O-CB 3.36Å; K47-K51 PolarHBondContact O-N 3.21Å
48	D	84.9	Confident	88.7	Confident	49 Å²	49	48.7 Å²	48.7	26%	0.262	24%	0.237	S	C	.	.	H	α-helix	trans	-62	-40.9	175.5	-63.6	-28.1	0	0	0	110.9	R44 M46 K51 R52	R44-D48 PolarHBondContact O-N 3.37Å; M46-D48 VanDerWaalsContact C-N 3.31Å; M46-D48 PolarHBondContact O-N 2.86Å; D48-K51 PolarHBondContact O-N 2.99Å; D48-R52 WeakPolarHBondContact O-CD 2.98Å; D48-R52 VanDerWaalsContact O-CG 3.26Å; D48-R52 WeakPolarHBondContact O-CG 3.5Å; D48-R52 PolarHBondContact O-N 3.21Å; D48-R52 VanDerWaalsContact O-N 3.14Å
49	L	89.8	Confident	88.7	Confident	5 Å²	5	51.8 Å²	51.8	3%	0.026	25%	0.251	C	S	.	.	H	α-helix	trans	-63.5	-47.4	174.9	179.6	58.7	0	0	0	112.1	G45 M46 K47 K51 R52 L53 L64 F68 V78 I82	G45-L49 WeakPolarHBondContact O-CB 3.33Å; G45-L49 PolarHBondContact O-N 2.92Å; M46-L49 WeakPolarHBondContact O-CB 3.35Å; M46-L49 PolarHBondContact O-N 2.97Å; M46-L49 VanDerWaalsContact O-N 3.15Å; M46-L49 HydrophobicContact SD-CD2 4.12Å; K47-L49 VanDerWaalsContact C-N 3.29Å; K47-L49 PolarHBondContact O-N 2.96Å; L49-K51 VanDerWaalsContact C-N 3.31Å; L49-K51 PolarHBondContact O-N 2.76Å; L49-R52 PolarHBondContact O-N 3.09Å; L49-L53 VanDerWaalsContact O-CB 3.3Å; L49-L53 WeakPolarHBondContact O-CB 3.38Å; L49-L53 PolarHBondContact O-N 3.42Å; L49-L64 HydrophobicContact CD2-CD2 3.78Å; L49-L64 HydrophobicContact CG-CD2 3.75Å; L49-F68 HydrophobicContact CD2-CB 4.12Å; L49-F68 HydrophobicContact CD2-CD2 4.08Å; L49-V78 HydrophobicContact CD1-CG1 3.31Å; L49-I82 HydrophobicContact CD1-CD1 3.85Å
50	I	92.1	Very high	88.7	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.5	-43.8	177.4	-71.1	164	0	0	0	110.6	L30 T35 L41 M46 K47 R52 L53 Q54 P55 L64	L30-I50 HydrophobicContact CD1-CD1 3.9Å; L30-I50 HydrophobicContact CD1-CG1 4.38Å; L30-I50 HydrophobicContact CD1-CG2 3.9Å; L30-I50 HydrophobicContact CG-CG2 4.11Å; L30-I50 WeakPolarHBondContact O-CG2 3.48Å; T35-I50 HydrophobicContact CG2-CD1 3.87Å; L41-I50 HydrophobicContact CB-CD1 4.12Å; L41-I50 HydrophobicContact CD1-CD1 4.43Å; L41-I50 HydrophobicContact CD2-CD1 4.49Å; M46-I50 HydrophobicContact CG-CD1 3.84Å; M46-I50 HydrophobicContact CG-CG1 4.36Å; M46-I50 VanDerWaalsContact O-CG1 3.27Å; M46-I50 WeakPolarHBondContact O-CG1 3.41Å; M46-I50 PolarHBondContact O-N 2.88Å; M46-I50 HydrophobicContact SD-CD1 4.42Å; M46-I50 HydrophobicContact SD-CG1 4.41Å; K47-I50 PolarHBondContact O-N 3.28Å; I50-R52 VanDerWaalsContact C-N 3.27Å; I50-R52 PolarHBondContact O-N 3.49Å; I50-L53 PolarHBondContact O-N 3.02Å; I50-Q54 PolarHBondContact O-N 3.33Å; I50-P55 HydrophobicContact CG2-CG 4.12Å; I50-P55 WeakPolarHBondContact O-CD 3.4Å; I50-L64 HydrophobicContact CG1-CD1 3.83Å; I50-L64 HydrophobicContact CG1-CD2 4.03Å
51	K	89.1	Confident	88.8	Confident	116 Å²	116	45 Å²	45	50%	0.504	22%	0.221	S	C	.	.	H	α-helix	trans	-59.4	-39.6	177.8	-168.4	174.5	-177.2	178	0	111.9	S33 K47 D48 L49 Q54	S33-K51 WeakPolarHBondContact OG-CB 3.48Å; K47-K51 WeakPolarHBondContact O-CB 3.36Å; K47-K51 PolarHBondContact O-N 3.21Å; D48-K51 PolarHBondContact O-N 2.99Å; L49-K51 VanDerWaalsContact C-N 3.31Å; L49-K51 PolarHBondContact O-N 2.76Å; K51-Q54 PolarHBondContact O-NE2 3.44Å
52	R	89.9	Confident	89.1	Confident	123 Å²	123	45.1 Å²	45.1	46%	0.464	22%	0.222	S	C	.	.	H	α-helix	trans	-77.2	-35.1	178.1	-67.1	167.4	62	-156.3	-4.3	113	D48 L49 I50 D79 I82 H86	D48-R52 WeakPolarHBondContact O-CD 2.98Å; D48-R52 VanDerWaalsContact O-CG 3.26Å; D48-R52 WeakPolarHBondContact O-CG 3.5Å; D48-R52 PolarHBondContact O-N 3.21Å; D48-R52 VanDerWaalsContact O-N 3.14Å; L49-R52 PolarHBondContact O-N 3.09Å; I50-R52 VanDerWaalsContact C-N 3.27Å; I50-R52 PolarHBondContact O-N 3.49Å; R52-D79 IonicContact CZ-OD1 3.67Å; R52-D79 IonicContact NH1-OD1 2.81Å; R52-D79 IonicContact NH2-OD1 2.73Å; R52-D79 PolarHBondContact NH2-OD1 3.33Å; R52-I82 HydrophobicContact CB-CD1 4.03Å; R52-I82 WeakPolarHBondContact O-CG2 3.35Å; R52-H86 PolarHBondContact O-CE1 3.48Å; R52-H86 VanDerWaalsContact O-CE1 3.27Å
53	L	91.9	Very high	89.5	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-80.1	-31.9	-177.3	-178.2	65.4	0	0	0	113.2	L49 I50 P55 D60 L64 F81 I82 K85 H86	L49-L53 VanDerWaalsContact O-CB 3.3Å; L49-L53 WeakPolarHBondContact O-CB 3.38Å; L49-L53 PolarHBondContact O-N 3.42Å; I50-L53 PolarHBondContact O-N 3.02Å; L53-P55 HydrophobicContact CD2-CB 4.45Å; L53-D60 HydrophobicContact CD2-CB 4.47Å; L53-L64 HydrophobicContact CD2-CD1 4.17Å; L53-L64 HydrophobicContact CD2-CD2 3.43Å; L53-L64 VanDerWaalsContact CD2-CD2 3.43Å; L53-L64 HydrophobicContact CD2-CG 3.6Å; L53-F81 HydrophobicContact CD1-CD1 3.71Å; L53-F81 HydrophobicContact CD1-CE1 3.89Å; L53-I82 HydrophobicContact CB-CG1 4.15Å; L53-I82 HydrophobicContact CD1-CG1 3.67Å; L53-K85 HydrophobicContact CD1-CD 3.64Å; L53-K85 HydrophobicContact CG-CD 4.28Å; L53-K85 WeakPolarHBondContact O-CD 3.37Å; L53-K85 WeakPolarHBondContact O-CE 3.19Å; L53-H86 PolarHBondContact O-NE2 3.21Å
54	Q	92.1	Very high	90	Very high	63 Å²	63	38.2 Å²	38.2	29%	0.294	18%	0.183	S	C	.	.			trans	47	61.7	-173.2	-66.2	-64.7	-60.9	0	0	112.3	Q31 I50 K51 D56	Q31-Q54 PolarHBondContact O-NE2 2.67Å; Q31-Q54 VanDerWaalsContact O-NE2 3.09Å; I50-Q54 PolarHBondContact O-N 3.33Å; K51-Q54 PolarHBondContact O-NE2 3.44Å; Q54-D56 PolarHBondContact O-N 3.3Å
55	P	92.3	Very high	90.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.167	C	C	.	.			trans	-60.9	131.8	-176.9	29.2	-38.2	0	0	0	111.3	L30 Q31 I50 L53 D60 L64	L30-P55 HydrophobicContact CD1-CG 4.44Å; L30-P55 HydrophobicContact CD2-CB 3.91Å; L30-P55 HydrophobicContact CD2-CG 3.34Å; L30-P55 HydrophobicContact CG-CG 3.49Å; L30-P55 VanDerWaalsContact CG-CG 3.49Å; Q31-P55 WeakPolarHBondContact CG-O 3.32Å; Q31-P55 PolarHBondContact NE2-O 3.08Å; I50-P55 HydrophobicContact CG2-CG 4.12Å; I50-P55 WeakPolarHBondContact O-CD 3.4Å; L53-P55 HydrophobicContact CD2-CB 4.45Å; P55-D60 WeakPolarHBondContact CA-OD2 3.5Å; P55-D60 HydrophobicContact CB-CB 3.57Å; P55-L64 HydrophobicContact CB-CD1 4.19Å; P55-L64 HydrophobicContact CG-CD1 4.11Å
56	D	93	Very high	91.1	Very high	93 Å²	93	31.9 Å²	31.9	50%	0.497	15%	0.151	S	C	.	.			trans	-124.7	-2.3	-175.1	58	2.8	0	0	0	113.1	Q54 D60 K85	Q54-D56 PolarHBondContact O-N 3.3Å; D56-D60 PolarHBondContact N-OD2 3.03Å; D56-K85 IonicContact OD1-NZ 2.8Å; D56-K85 PolarHBondContact OD1-NZ 3Å; D56-K85 IonicContact OD2-NZ 3.54Å
57	C	93	Very high	91.2	Very high	45 Å²	45	31.8 Å²	31.8	30%	0.304	15%	0.151	S	C	.	.	S	Bend	trans	-144.2	165.8	177.3	69.4	0	0	0	0	113.1	F27 E59 D60	F27-C57 VanDerWaalsContact CE1-O 3.3Å; F27-C57 WeakPolarHBondContact CE1-O 3.29Å; C57-E59 VanDerWaalsContact C-N 3.32Å; C57-E59 PolarHBondContact O-N 2.83Å; C57-D60 PolarHBondContact N-OD2 3.41Å; C57-D60 WeakPolarHBondContact O-CB 3.39Å; C57-D60 PolarHBondContact O-N 3.23Å; C57-D60 VanDerWaalsContact SG-CG 3.55Å; C57-D60 PolarHBondContact SG-OD2 3.15Å
58	F	94	Very high	91.3	Very high	36 Å²	36	32.8 Å²	32.8	16%	0.158	16%	0.155	C	C	.	.	H	α-helix	trans	-64.2	-34.5	-178.5	-175.2	-108.6	0	0	0	112.8	F27 D60 M61 I62 A195 L196 Y199	F27-F58 HydrophobicContact CZ-CB 4.49Å; F58-D60 VanDerWaalsContact C-N 3.26Å; F58-D60 PolarHBondContact O-N 2.94Å; F58-M61 HydrophobicContact CD2-SD 4.47Å; F58-M61 WeakPolarHBondContact O-CB 3.23Å; F58-M61 PolarHBondContact O-N 2.85Å; F58-I62 HydrophobicContact CD1-CD1 3.92Å; F58-I62 HydrophobicContact CD1-CG1 4.24Å; F58-I62 HydrophobicContact CE1-CD1 3.74Å; F58-I62 HydrophobicContact CE1-CG1 4Å; F58-I62 HydrophobicContact CZ-CG1 4.45Å; F58-I62 WeakPolarHBondContact O-CG1 3.49Å; F58-I62 PolarHBondContact O-N 2.93Å; F58-A195 HydrophobicContact CE2-CB 4.47Å; F58-A195 HydrophobicContact CZ-CB 4.34Å; F58-L196 HydrophobicContact CE2-CD1 4.47Å; F58-L196 HydrophobicContact CZ-CB 4.04Å; F58-L196 HydrophobicContact CZ-CD1 4.32Å; F58-Y199 HydrophobicContact CD2-CD2 4.25Å; F58-Y199 HydrophobicContact CD2-CG 4.02Å; F58-Y199 HydrophobicContact CE2-CG 4.15Å
59	E	93.2	Very high	91.3	Very high	65 Å²	65	35 Å²	35	30%	0.304	16%	0.16	S	C	.	.	H	α-helix	trans	-61.6	-32.6	177	-74.9	-77.3	-179.6	0	0	112.3	C57 M61 I62 A63 K188	C57-E59 VanDerWaalsContact C-N 3.32Å; C57-E59 PolarHBondContact O-N 2.83Å; E59-M61 VanDerWaalsContact C-N 3.3Å; E59-M61 PolarHBondContact O-N 3.41Å; E59-I62 WeakPolarHBondContact O-CB 3.44Å; E59-I62 PolarHBondContact O-N 2.96Å; E59-A63 PolarHBondContact O-N 3.19Å; E59-K188 IonicContact OE1-NZ 2.68Å; E59-K188 PolarHBondContact OE1-NZ 2.95Å; E59-K188 WeakPolarHBondContact OE2-CE 3.37Å; E59-K188 IonicContact OE2-NZ 2.97Å; E59-K188 PolarHBondContact OE2-NZ 3.24Å
60	D	92.9	Very high	90.9	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-64.2	-35.8	172.7	-64.9	-50	0	0	0	112	L53 P55 D56 C57 F58 I62 A63 L64 K85 Y111	L53-D60 HydrophobicContact CD2-CB 4.47Å; P55-D60 WeakPolarHBondContact CA-OD2 3.5Å; P55-D60 HydrophobicContact CB-CB 3.57Å; D56-D60 PolarHBondContact N-OD2 3.03Å; C57-D60 PolarHBondContact N-OD2 3.41Å; C57-D60 WeakPolarHBondContact O-CB 3.39Å; C57-D60 PolarHBondContact O-N 3.23Å; C57-D60 VanDerWaalsContact SG-CG 3.55Å; C57-D60 PolarHBondContact SG-OD2 3.15Å; F58-D60 VanDerWaalsContact C-N 3.26Å; F58-D60 PolarHBondContact O-N 2.94Å; D60-I62 VanDerWaalsContact C-N 3.33Å; D60-A63 PolarHBondContact O-N 3.31Å; D60-L64 WeakPolarHBondContact O-CB 3.49Å; D60-L64 VanDerWaalsContact O-CG 3.28Å; D60-L64 WeakPolarHBondContact O-CG 3.42Å; D60-L64 PolarHBondContact O-N 2.72Å; D60-K85 IonicContact OD1-NZ 3.66Å; D60-K85 PolarHBondContact OD1-NZ 3.29Å; D60-K85 IonicContact OD2-NZ 2.73Å; D60-K85 PolarHBondContact OD2-NZ 3.21Å; D60-Y111 PolarHBondContact OD1-OH 2.85Å
61	M	92.8	Very high	90.5	Very high	1 Å²	1	40 Å²	40	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-66.2	-39.3	176.8	-64	-172	64.9	0	0	111.4	F27 L30 L41 F58 E59 A63 L64 V65 A195 Y199 L202	F27-M61 HydrophobicContact CE1-CG 4.35Å; F27-M61 HydrophobicContact CE1-SD 4.16Å; L30-M61 HydrophobicContact CD2-CG 3.93Å; L30-M61 HydrophobicContact CD2-SD 4.09Å; L41-M61 HydrophobicContact CD1-CE 3.91Å; F58-M61 HydrophobicContact CD2-SD 4.47Å; F58-M61 WeakPolarHBondContact O-CB 3.23Å; F58-M61 PolarHBondContact O-N 2.85Å; E59-M61 VanDerWaalsContact C-N 3.3Å; E59-M61 PolarHBondContact O-N 3.41Å; M61-A63 VanDerWaalsContact C-N 3.28Å; M61-A63 PolarHBondContact O-N 2.95Å; M61-L64 PolarHBondContact O-N 2.78Å; M61-V65 PolarHBondContact O-N 2.7Å; M61-A195 HydrophobicContact CB-CB 4.3Å; M61-Y199 HydrophobicContact CE-CD2 4.43Å; M61-Y199 HydrophobicContact SD-CD2 3.59Å; M61-Y199 VanDerWaalsContact SD-CD2 3.59Å; M61-Y199 HydrophobicContact SD-CG 4.28Å; M61-L202 HydrophobicContact CE-CD2 4.32Å; M61-L202 HydrophobicContact SD-CD2 4.33Å
62	I	94.4	Very high	90.2	Very high	5 Å²	5	34.7 Å²	34.7	3%	0.026	17%	0.173	C	C	.	.	H	α-helix	trans	-61.7	-42.1	173.6	-52.2	177.2	0	0	0	109.8	F58 E59 D60 Y116 K188 S191 A192 A195	F58-I62 HydrophobicContact CD1-CD1 3.92Å; F58-I62 HydrophobicContact CD1-CG1 4.24Å; F58-I62 HydrophobicContact CE1-CD1 3.74Å; F58-I62 HydrophobicContact CE1-CG1 4Å; F58-I62 HydrophobicContact CZ-CG1 4.45Å; F58-I62 WeakPolarHBondContact O-CG1 3.49Å; F58-I62 PolarHBondContact O-N 2.93Å; E59-I62 WeakPolarHBondContact O-CB 3.44Å; E59-I62 PolarHBondContact O-N 2.96Å; D60-I62 VanDerWaalsContact C-N 3.33Å; I62-Y116 VanDerWaalsContact C-OH 3.29Å; I62-Y116 HydrophobicContact CG2-CE1 4.08Å; I62-Y116 VanDerWaalsContact CG2-OH 3.24Å; I62-Y116 WeakPolarHBondContact CG2-OH 3.38Å; I62-K188 HydrophobicContact CG2-CG 4.23Å; I62-S191 PolarHBondContact O-OG 3.26Å; I62-A192 HydrophobicContact CD1-CB 3.94Å; I62-A192 HydrophobicContact CG1-CB 4.33Å; I62-A192 HydrophobicContact CG2-CB 4.21Å; I62-A195 HydrophobicContact CB-CB 4.46Å; I62-A195 HydrophobicContact CG1-CB 3.97Å
63	A	92.9	Very high	90	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.008	17%	0.169	C	C	.	.	H	α-helix	trans	-69.1	-39.7	-179.9	0	0	0	0	0	112.5	E59 D60 M61 V65 A66 L67 F81 L115 Y116	E59-A63 PolarHBondContact O-N 3.19Å; D60-A63 PolarHBondContact O-N 3.31Å; M61-A63 VanDerWaalsContact C-N 3.28Å; M61-A63 PolarHBondContact O-N 2.95Å; A63-V65 VanDerWaalsContact C-N 3.35Å; A63-V65 PolarHBondContact O-N 2.82Å; A63-A66 WeakPolarHBondContact O-CB 3.22Å; A63-A66 PolarHBondContact O-N 3.43Å; A63-A66 VanDerWaalsContact O-N 3.08Å; A63-L67 HydrophobicContact CB-CD1 4.25Å; A63-L67 WeakPolarHBondContact O-CB 3.29Å; A63-L67 VanDerWaalsContact O-CG 3.24Å; A63-L67 WeakPolarHBondContact O-CG 3.27Å; A63-L67 PolarHBondContact O-N 2.8Å; A63-F81 HydrophobicContact CB-CE1 4.31Å; A63-F81 HydrophobicContact CB-CE2 4.14Å; A63-F81 HydrophobicContact CB-CZ 3.67Å; A63-L115 HydrophobicContact CB-CD2 3.75Å; A63-Y116 VanDerWaalsContact CA-OH 3.3Å; A63-Y116 WeakPolarHBondContact CA-OH 3.32Å; A63-Y116 PolarHBondContact N-OH 3.11Å; A63-Y116 VanDerWaalsContact N-OH 3.13Å
64	L	91.1	Very high	89.4	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-55.1	-47.4	178.7	-82.6	168.6	0	0	0	112.3	M46 L49 I50 L53 P55 D60 M61 A66 L67 F68	M46-L64 HydrophobicContact SD-CB 4.34Å; M46-L64 HydrophobicContact SD-CD2 4.1Å; L49-L64 HydrophobicContact CD2-CD2 3.78Å; L49-L64 HydrophobicContact CG-CD2 3.75Å; I50-L64 HydrophobicContact CG1-CD1 3.83Å; I50-L64 HydrophobicContact CG1-CD2 4.03Å; L53-L64 HydrophobicContact CD2-CD1 4.17Å; L53-L64 HydrophobicContact CD2-CD2 3.43Å; L53-L64 VanDerWaalsContact CD2-CD2 3.43Å; L53-L64 HydrophobicContact CD2-CG 3.6Å; P55-L64 HydrophobicContact CB-CD1 4.19Å; P55-L64 HydrophobicContact CG-CD1 4.11Å; D60-L64 WeakPolarHBondContact O-CB 3.49Å; D60-L64 VanDerWaalsContact O-CG 3.28Å; D60-L64 WeakPolarHBondContact O-CG 3.42Å; D60-L64 PolarHBondContact O-N 2.72Å; M61-L64 PolarHBondContact O-N 2.78Å; L64-A66 VanDerWaalsContact C-N 3.26Å; L64-A66 PolarHBondContact O-N 3.45Å; L64-L67 PolarHBondContact O-N 2.81Å; L64-F68 WeakPolarHBondContact O-CB 3.31Å; L64-F68 PolarHBondContact O-N 2.88Å
65	V	88.8	Confident	89	Confident	15 Å²	15	39.6 Å²	39.6	9%	0.091	21%	0.209	C	C	.	.	H	α-helix	trans	-64.6	-32.5	179.3	176.8	0	0	0	0	111.8	Q40 L41 M61 A63	Q40-V65 VanDerWaalsContact OE1-CG1 3.27Å; L41-V65 HydrophobicContact CD2-CG2 4.49Å; M61-V65 PolarHBondContact O-N 2.7Å; A63-V65 VanDerWaalsContact C-N 3.35Å; A63-V65 PolarHBondContact O-N 2.82Å
66	A	91	Very high	88.6	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-75.7	-42.4	176.3	0	0	0	0	0	112.4	A63 L64 R69 L115 Y116 F186	A63-A66 WeakPolarHBondContact O-CB 3.22Å; A63-A66 PolarHBondContact O-N 3.43Å; A63-A66 VanDerWaalsContact O-N 3.08Å; L64-A66 VanDerWaalsContact C-N 3.26Å; L64-A66 PolarHBondContact O-N 3.45Å; A66-R69 WeakPolarHBondContact O-CD 3.17Å; A66-L115 HydrophobicContact CB-CD1 4.03Å; A66-L115 HydrophobicContact CB-CD2 4.1Å; A66-L115 HydrophobicContact CB-CG 4.03Å; A66-Y116 HydrophobicContact CB-CE1 4.04Å; A66-F186 HydrophobicContact CB-CB 3.8Å; A66-F186 HydrophobicContact CB-CD1 3.72Å; A66-F186 HydrophobicContact CB-CG 4.12Å
67	L	89.7	Confident	88.3	Confident	2 Å²	2	36.4 Å²	36.4	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-75.8	-30.5	-174.5	-73.3	171.1	0	0	0	113.3	A63 L64 R69 P72 M77 V78 F81 L115	A63-L67 HydrophobicContact CB-CD1 4.25Å; A63-L67 WeakPolarHBondContact O-CB 3.29Å; A63-L67 VanDerWaalsContact O-CG 3.24Å; A63-L67 WeakPolarHBondContact O-CG 3.27Å; A63-L67 PolarHBondContact O-N 2.8Å; L64-L67 PolarHBondContact O-N 2.81Å; L67-R69 PolarHBondContact O-N 3.23Å; L67-P72 HydrophobicContact CD2-CB 4.48Å; L67-P72 WeakPolarHBondContact O-CB 3.25Å; L67-M77 HydrophobicContact CD2-CG 4.26Å; L67-M77 HydrophobicContact CD2-SD 3.91Å; L67-V78 HydrophobicContact CB-CG2 4.16Å; L67-V78 HydrophobicContact CD2-CG2 4.05Å; L67-F81 HydrophobicContact CD1-CB 4.35Å; L67-F81 HydrophobicContact CD1-CD1 4.05Å; L67-F81 HydrophobicContact CD1-CD2 4.14Å; L67-F81 HydrophobicContact CD1-CE1 4.39Å; L67-F81 HydrophobicContact CD1-CE2 4.46Å; L67-F81 HydrophobicContact CD1-CG 3.92Å; L67-L115 HydrophobicContact CD1-CD2 4.48Å; L67-L115 HydrophobicContact CD2-CD1 3.51Å; L67-L115 HydrophobicContact CD2-CD2 4.26Å; L67-L115 HydrophobicContact CG-CD1 3.96Å; L67-L115 HydrophobicContact CG-CD2 4.04Å
68	F	87.9	Confident	88.1	Confident	67 Å²	67	34.3 Å²	34.3	29%	0.294	18%	0.182	S	C	.	.	S	Bend	trans	-78.5	65.8	-176.6	-168.9	-110.1	0	0	0	113	S43 G45 M46 L49 L64 L73	S43-F68 VanDerWaalsContact OG-CE1 3.23Å; S43-F68 WeakPolarHBondContact OG-CE1 3.49Å; S43-F68 WeakPolarHBondContact OG-CZ 3.46Å; G45-F68 WeakPolarHBondContact O-CE2 3.27Å; M46-F68 HydrophobicContact CB-CD1 4.23Å; M46-F68 HydrophobicContact CB-CD2 4.34Å; M46-F68 HydrophobicContact CB-CE1 4.14Å; M46-F68 HydrophobicContact CB-CE2 4.28Å; M46-F68 HydrophobicContact CB-CG 4.33Å; M46-F68 HydrophobicContact CB-CZ 4.17Å; M46-F68 HydrophobicContact CE-CB 3.18Å; M46-F68 HydrophobicContact CE-CD1 3.67Å; M46-F68 HydrophobicContact CE-CD2 4.36Å; M46-F68 HydrophobicContact CE-CG 3.48Å; M46-F68 VanDerWaalsContact CE-CG 3.48Å; M46-F68 VanDerWaalsContact N-CE2 3.29Å; M46-F68 VanDerWaalsContact N-CZ 3.35Å; M46-F68 HydrophobicContact SD-CB 3.9Å; M46-F68 HydrophobicContact SD-CD2 4.3Å; M46-F68 HydrophobicContact SD-CG 3.98Å; L49-F68 HydrophobicContact CD2-CB 4.12Å; L49-F68 HydrophobicContact CD2-CD2 4.08Å; L64-F68 WeakPolarHBondContact O-CB 3.31Å; L64-F68 PolarHBondContact O-N 2.88Å; F68-L73 HydrophobicContact CD2-CD1 4.15Å; F68-L73 HydrophobicContact CE2-CD1 4.32Å
69	R	86.1	Confident	87.9	Confident	96 Å²	96	35.6 Å²	35.6	36%	0.362	19%	0.191	S	C	.	.	S	Bend	trans	-142.4	151.1	-179.2	-65.6	175.5	-178.1	-140.1	-14.8	110.1	A66 L67 G71 P72 L73	A66-R69 WeakPolarHBondContact O-CD 3.17Å; L67-R69 PolarHBondContact O-N 3.23Å; R69-G71 VanDerWaalsContact C-N 3.26Å; R69-G71 PolarHBondContact O-N 3.41Å; R69-G71 VanDerWaalsContact O-N 3.15Å; R69-P72 HydrophobicContact CB-CG 4.17Å; R69-P72 WeakPolarHBondContact O-CD 3.31Å; R69-L73 WeakPolarHBondContact O-CB 3.13Å; R69-L73 WeakPolarHBondContact O-CD1 3.25Å; R69-L73 WeakPolarHBondContact O-CG 3.34Å; R69-L73 PolarHBondContact O-N 2.89Å; R69-L73 VanDerWaalsContact O-N 3.1Å
70	P	81.3	Confident	87.8	Confident	95 Å²	95	35.5 Å²	35.5	62%	0.617	19%	0.192	S	C	*	.	H	α-helix	trans	-53.4	-39.5	-176.6	-28.3	34.9	0	0	0	114.4	Q74	P70-Q74 WeakPolarHBondContact O-CB 3.41Å; P70-Q74 WeakPolarHBondContact O-CG 3.48Å; P70-Q74 PolarHBondContact O-N 2.7Å; P70-Q74 VanDerWaalsContact O-N 3.13Å
71	G	83.5	Confident	87.7	Confident	16 Å²	16	35.5 Å²	35.5	17%	0.165	19%	0.192	C	C	.	.	H	α-helix	trans	-63.3	-63.4	179.6	0	0	0	0	0	113.4	R69 L73 Q74 S75	R69-G71 VanDerWaalsContact C-N 3.26Å; R69-G71 PolarHBondContact O-N 3.41Å; R69-G71 VanDerWaalsContact O-N 3.15Å; G71-L73 VanDerWaalsContact C-N 3.32Å; G71-L73 PolarHBondContact O-N 3.25Å; G71-Q74 PolarHBondContact O-N 3.08Å; G71-S75 WeakPolarHBondContact O-CB 3.39Å; G71-S75 PolarHBondContact O-N 3.18Å; G71-S75 VanDerWaalsContact O-N 3.08Å
72	P	83.5	Confident	87.6	Confident	4 Å²	4	35.6 Å²	35.6	3%	0.026	19%	0.193	C	C	.	.	H	α-helix	trans	-53.2	-44.3	176.3	-27.2	32.5	0	0	0	113.8	L67 R69 Q74 S75 M77 V78	L67-P72 HydrophobicContact CD2-CB 4.48Å; L67-P72 WeakPolarHBondContact O-CB 3.25Å; R69-P72 HydrophobicContact CB-CG 4.17Å; R69-P72 WeakPolarHBondContact O-CD 3.31Å; P72-Q74 VanDerWaalsContact C-N 3.32Å; P72-Q74 PolarHBondContact O-N 2.85Å; P72-S75 PolarHBondContact O-N 3.44Å; P72-S75 PolarHBondContact O-OG 2.85Å; P72-M77 HydrophobicContact CB-SD 4.35Å; P72-V78 HydrophobicContact CB-CG2 4.18Å
73	L	84.1	Confident	87.6	Confident	72 Å²	72	37.6 Å²	37.6	38%	0.377	20%	0.204	S	C	.	.	H	α-helix	trans	-60.1	-38.1	178.8	-77.8	160.4	0	0	0	112.9	F68 R69 G71 V78	F68-L73 HydrophobicContact CD2-CD1 4.15Å; F68-L73 HydrophobicContact CE2-CD1 4.32Å; R69-L73 WeakPolarHBondContact O-CB 3.13Å; R69-L73 WeakPolarHBondContact O-CD1 3.25Å; R69-L73 WeakPolarHBondContact O-CG 3.34Å; R69-L73 PolarHBondContact O-N 2.89Å; R69-L73 VanDerWaalsContact O-N 3.1Å; G71-L73 VanDerWaalsContact C-N 3.32Å; G71-L73 PolarHBondContact O-N 3.25Å; L73-V78 HydrophobicContact CD2-CG2 4.21Å; L73-V78 HydrophobicContact CG-CG2 4.35Å
74	Q	80.7	Confident	87.5	Confident	167 Å²	167	38.1 Å²	38.1	78%	0.78	21%	0.205	S	C	*	.	H	α-helix	trans	-83.1	-18	-179.8	-70.3	171.9	2.4	0	0	113.4	P70 G71 P72 G76	P70-Q74 WeakPolarHBondContact O-CB 3.41Å; P70-Q74 WeakPolarHBondContact O-CG 3.48Å; P70-Q74 PolarHBondContact O-N 2.7Å; P70-Q74 VanDerWaalsContact O-N 3.13Å; G71-Q74 PolarHBondContact O-N 3.08Å; P72-Q74 VanDerWaalsContact C-N 3.32Å; P72-Q74 PolarHBondContact O-N 2.85Å; Q74-G76 VanDerWaalsContact C-N 3.34Å
75	S	83.2	Confident	87.5	Confident	51 Å²	51	39.4 Å²	39.4	36%	0.357	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-9	-175.8	71.8	0	0	0	0	114.6	G71 P72 M77	G71-S75 WeakPolarHBondContact O-CB 3.39Å; G71-S75 PolarHBondContact O-N 3.18Å; G71-S75 VanDerWaalsContact O-N 3.08Å; P72-S75 PolarHBondContact O-N 3.44Å; P72-S75 PolarHBondContact O-OG 2.85Å; S75-M77 PolarHBondContact O-N 3.23Å; S75-M77 WeakPolarHBondContact OG-CB 3.43Å; S75-M77 PolarHBondContact OG-N 3.11Å
76	G	84.7	Confident	87.7	Confident	21 Å²	21	42.5 Å²	42.5	22%	0.216	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	-5.5	-170.1	0	0	0	0	0	114.2	Q74 V78 D79 N80	Q74-G76 VanDerWaalsContact C-N 3.34Å; G76-V78 PolarHBondContact O-N 3.41Å; G76-D79 PolarHBondContact O-N 2.94Å; G76-D79 VanDerWaalsContact O-N 3.1Å; G76-N80 PolarHBondContact O-N 2.85Å; G76-N80 VanDerWaalsContact O-N 3.09Å; G76-N80 PolarHBondContact O-OD1 3.34Å
77	M	86.3	Confident	87.6	Confident	5 Å²	5	45.5 Å²	45.5	3%	0.025	26%	0.256	C	S	.	.	H	α-helix	trans	-56.1	-39.2	179.2	179.5	-166	-74.6	0	0	112.7	L67 P72 S75 D79 N80 F81 I113 L115 F181	L67-M77 HydrophobicContact CD2-CG 4.26Å; L67-M77 HydrophobicContact CD2-SD 3.91Å; P72-M77 HydrophobicContact CB-SD 4.35Å; S75-M77 PolarHBondContact O-N 3.23Å; S75-M77 WeakPolarHBondContact OG-CB 3.43Å; S75-M77 PolarHBondContact OG-N 3.11Å; M77-D79 VanDerWaalsContact C-N 3.33Å; M77-N80 PolarHBondContact O-N 2.87Å; M77-F81 WeakPolarHBondContact O-CB 3.32Å; M77-F81 PolarHBondContact O-N 3.49Å; M77-I113 HydrophobicContact CE-CG2 4.48Å; M77-I113 HydrophobicContact CG-CG2 3.51Å; M77-I113 HydrophobicContact SD-CG2 4.02Å; M77-L115 HydrophobicContact SD-CD1 3.88Å; M77-F181 HydrophobicContact CE-CD1 3.09Å; M77-F181 HydrophobicContact CE-CE1 3.37Å; M77-F181 HydrophobicContact CE-CG 4.15Å
78	V	88.6	Confident	87.6	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.006	28%	0.282	C	S	.	.	H	α-helix	trans	-63.8	-40.8	179.6	179.7	0	0	0	0	111.1	L49 L67 P72 L73 G76 F81 I82	L49-V78 HydrophobicContact CD1-CG1 3.31Å; L67-V78 HydrophobicContact CB-CG2 4.16Å; L67-V78 HydrophobicContact CD2-CG2 4.05Å; P72-V78 HydrophobicContact CB-CG2 4.18Å; L73-V78 HydrophobicContact CD2-CG2 4.21Å; L73-V78 HydrophobicContact CG-CG2 4.35Å; G76-V78 PolarHBondContact O-N 3.41Å; V78-F81 PolarHBondContact O-N 3.49Å; V78-I82 HydrophobicContact CG1-CD1 3.93Å; V78-I82 WeakPolarHBondContact O-CD1 3.4Å; V78-I82 VanDerWaalsContact O-CG1 3.28Å; V78-I82 WeakPolarHBondContact O-CG1 3.47Å; V78-I82 PolarHBondContact O-N 2.92Å; V78-I82 VanDerWaalsContact O-N 3.09Å
79	D	90.4	Very high	87.7	Confident	62 Å²	62	52 Å²	52	33%	0.332	28%	0.281	S	S	.	.	H	α-helix	trans	-68	-45.6	-179.9	-57.9	-29.6	0	0	0	110	R52 G76 M77 F81 I82 D83	R52-D79 IonicContact CZ-OD1 3.67Å; R52-D79 IonicContact NH1-OD1 2.81Å; R52-D79 IonicContact NH2-OD1 2.73Å; R52-D79 PolarHBondContact NH2-OD1 3.33Å; G76-D79 PolarHBondContact O-N 2.94Å; G76-D79 VanDerWaalsContact O-N 3.1Å; M77-D79 VanDerWaalsContact C-N 3.33Å; D79-F81 VanDerWaalsContact C-N 3.31Å; D79-F81 PolarHBondContact O-N 2.96Å; D79-I82 PolarHBondContact O-N 2.79Å; D79-I82 VanDerWaalsContact O-N 3.16Å; D79-D83 WeakPolarHBondContact O-CB 3.45Å; D79-D83 PolarHBondContact O-N 3.28Å
80	N	89.6	Confident	87.8	Confident	63 Å²	63	54.6 Å²	54.6	34%	0.337	30%	0.297	S	S	.	.	H	α-helix	trans	-59.9	-40.2	174.7	-63	1.4	0	0	0	112	G76 M77 I82 D83 R84 I113	G76-N80 PolarHBondContact O-N 2.85Å; G76-N80 VanDerWaalsContact O-N 3.09Å; G76-N80 PolarHBondContact O-OD1 3.34Å; M77-N80 PolarHBondContact O-N 2.87Å; N80-I82 VanDerWaalsContact C-N 3.35Å; N80-I82 PolarHBondContact O-N 2.76Å; N80-D83 PolarHBondContact O-N 2.88Å; N80-R84 VanDerWaalsContact O-CB 3.25Å; N80-R84 WeakPolarHBondContact O-CB 3.48Å; N80-R84 WeakPolarHBondContact O-CG 3.35Å; N80-R84 PolarHBondContact O-N 3.24Å; N80-I113 HydrophobicContact CB-CD1 4.03Å
81	F	91.3	Very high	88.2	Confident	1 Å²	1	53.1 Å²	53.1	0%	0.004	28%	0.283	C	S	.	.	H	α-helix	trans	-60.8	-45.3	176.8	-168	-79.1	0	0	0	111.3	L53 A63 L67 M77 V78 D79 K85 T110 Y111 I113 L115	L53-F81 HydrophobicContact CD1-CD1 3.71Å; L53-F81 HydrophobicContact CD1-CE1 3.89Å; A63-F81 HydrophobicContact CB-CE1 4.31Å; A63-F81 HydrophobicContact CB-CE2 4.14Å; A63-F81 HydrophobicContact CB-CZ 3.67Å; L67-F81 HydrophobicContact CD1-CB 4.35Å; L67-F81 HydrophobicContact CD1-CD1 4.05Å; L67-F81 HydrophobicContact CD1-CD2 4.14Å; L67-F81 HydrophobicContact CD1-CE1 4.39Å; L67-F81 HydrophobicContact CD1-CE2 4.46Å; L67-F81 HydrophobicContact CD1-CG 3.92Å; M77-F81 WeakPolarHBondContact O-CB 3.32Å; M77-F81 PolarHBondContact O-N 3.49Å; V78-F81 PolarHBondContact O-N 3.49Å; D79-F81 VanDerWaalsContact C-N 3.31Å; D79-F81 PolarHBondContact O-N 2.96Å; F81-K85 VanDerWaalsContact O-CB 3.28Å; F81-K85 WeakPolarHBondContact O-CB 3.43Å; F81-K85 PolarHBondContact O-N 2.91Å; F81-T110 HydrophobicContact CE2-CG2 4.4Å; F81-Y111 HydrophobicContact CD1-CD2 4.18Å; F81-Y111 HydrophobicContact CD1-CE2 4.44Å; F81-Y111 HydrophobicContact CD2-CD2 4.44Å; F81-Y111 AromaticContact CE1-CD2 3.7Å; F81-Y111 HydrophobicContact CE1-CD2 3.7Å; F81-Y111 AromaticContact CE1-CE2 3.65Å; F81-Y111 HydrophobicContact CE1-CE2 3.65Å; F81-Y111 HydrophobicContact CE2-CD2 4.01Å; F81-Y111 AromaticContact CZ-CD2 3.61Å; F81-Y111 HydrophobicContact CZ-CD2 3.61Å; F81-Y111 AromaticContact CZ-CE2 3.71Å; F81-Y111 HydrophobicContact CZ-CE2 3.71Å; F81-I113 HydrophobicContact CB-CG1 4.49Å; F81-I113 HydrophobicContact CD2-CB 4.25Å; F81-I113 HydrophobicContact CD2-CG1 4.25Å; F81-L115 HydrophobicContact CE2-CD2 4.36Å
82	I	91.9	Very high	88.4	Confident	4 Å²	4	52.3 Å²	52.3	2%	0.021	28%	0.275	C	S	.	.	H	α-helix	trans	-67.6	-39.9	178.8	-71.4	166.8	0	0	0	111.7	L49 R52 L53 V78 D79 N80 H86 R88	L49-I82 HydrophobicContact CD1-CD1 3.85Å; R52-I82 HydrophobicContact CB-CD1 4.03Å; R52-I82 WeakPolarHBondContact O-CG2 3.35Å; L53-I82 HydrophobicContact CB-CG1 4.15Å; L53-I82 HydrophobicContact CD1-CG1 3.67Å; V78-I82 HydrophobicContact CG1-CD1 3.93Å; V78-I82 WeakPolarHBondContact O-CD1 3.4Å; V78-I82 VanDerWaalsContact O-CG1 3.28Å; V78-I82 WeakPolarHBondContact O-CG1 3.47Å; V78-I82 PolarHBondContact O-N 2.92Å; V78-I82 VanDerWaalsContact O-N 3.09Å; D79-I82 PolarHBondContact O-N 2.79Å; D79-I82 VanDerWaalsContact O-N 3.16Å; N80-I82 VanDerWaalsContact C-N 3.35Å; N80-I82 PolarHBondContact O-N 2.76Å; I82-H86 WeakPolarHBondContact O-CB 3.45Å; I82-H86 PolarHBondContact O-N 3.23Å; I82-R88 PolarHBondContact O-NH2 3.31Å; I82-R88 VanDerWaalsContact O-NH2 3.08Å
83	D	92.4	Very high	88.7	Confident	46 Å²	46	54.1 Å²	54.1	25%	0.246	28%	0.282	C	S	.	.	H	α-helix	trans	-73.1	-41.3	-178.4	-71	-19	0	0	0	111.4	D79 N80 H86 G87 R88 E89	D79-D83 WeakPolarHBondContact O-CB 3.45Å; D79-D83 PolarHBondContact O-N 3.28Å; N80-D83 PolarHBondContact O-N 2.88Å; D83-H86 PolarHBondContact O-N 2.73Å; D83-G87 PolarHBondContact O-N 2.95Å; D83-G87 VanDerWaalsContact O-N 3.16Å; D83-R88 HydrophobicContact CB-CB 4.16Å; D83-R88 PolarHBondContact O-N 3.04Å; D83-R88 IonicContact OD1-CZ 3.23Å; D83-R88 IonicContact OD1-NE 3.21Å; D83-R88 IonicContact OD1-NH1 3.62Å; D83-R88 PolarHBondContact OD1-NH1 2.99Å; D83-R88 IonicContact OD1-NH2 2.69Å; D83-R88 PolarHBondContact OD1-NH2 3.29Å; D83-E89 HydrophobicContact CB-CB 4.15Å; D83-E89 PolarHBondContact O-N 3.01Å
84	R	91.9	Very high	88.7	Confident	12 Å²	12	51.1 Å²	51.1	5%	0.045	27%	0.266	C	S	.	.	H	α-helix	trans	-65.3	-43.2	173.7	-71.4	-178	-174.9	-165.5	-1.5	112.7	N80 H86 G87 E89 I91 S92 P94 Y111 G112	N80-R84 VanDerWaalsContact O-CB 3.25Å; N80-R84 WeakPolarHBondContact O-CB 3.48Å; N80-R84 WeakPolarHBondContact O-CG 3.35Å; N80-R84 PolarHBondContact O-N 3.24Å; R84-H86 VanDerWaalsContact C-N 3.33Å; R84-H86 PolarHBondContact O-N 3.07Å; R84-G87 PolarHBondContact O-N 3.47Å; R84-G87 VanDerWaalsContact O-N 3.16Å; R84-E89 HydrophobicContact CG-CB 3.94Å; R84-E89 HydrophobicContact CG-CG 4.18Å; R84-E89 IonicContact CZ-OE1 3.44Å; R84-E89 IonicContact NE-OE1 3.34Å; R84-E89 PolarHBondContact NE-OE1 2.84Å; R84-E89 IonicContact NH2-OE1 3.61Å; R84-E89 PolarHBondContact NH2-OE1 2.8Å; R84-I91 HydrophobicContact CB-CG1 4.18Å; R84-S92 PolarHBondContact NH1-O 3.06Å; R84-S92 VanDerWaalsContact NH1-O 3.1Å; R84-P94 PolarHBondContact NH1-O 3.33Å; R84-P94 PolarHBondContact NH2-O 3.15Å; R84-Y111 WeakPolarHBondContact CD-O 3.32Å; R84-Y111 PolarHBondContact NH1-O 3.12Å; R84-G112 PolarHBondContact NH1-O 2.87Å
85	K	91	Very high	88.8	Confident	28 Å²	28	45.8 Å²	45.8	12%	0.122	24%	0.243	C	C	.	.	H	α-helix	trans	-56.9	-46.1	175.5	179.8	-175.1	177	75	0	111.9	L53 D56 D60 F81 G87 Y111	L53-K85 HydrophobicContact CD1-CD 3.64Å; L53-K85 HydrophobicContact CG-CD 4.28Å; L53-K85 WeakPolarHBondContact O-CD 3.37Å; L53-K85 WeakPolarHBondContact O-CE 3.19Å; D56-K85 IonicContact OD1-NZ 2.8Å; D56-K85 PolarHBondContact OD1-NZ 3Å; D56-K85 IonicContact OD2-NZ 3.54Å; D60-K85 IonicContact OD1-NZ 3.66Å; D60-K85 PolarHBondContact OD1-NZ 3.29Å; D60-K85 IonicContact OD2-NZ 2.73Å; D60-K85 PolarHBondContact OD2-NZ 3.21Å; F81-K85 VanDerWaalsContact O-CB 3.28Å; F81-K85 WeakPolarHBondContact O-CB 3.43Å; F81-K85 PolarHBondContact O-N 2.91Å; K85-G87 VanDerWaalsContact C-N 3.26Å; K85-G87 PolarHBondContact O-N 2.94Å; K85-Y111 HydrophobicContact CB-CD2 3.98Å; K85-Y111 HydrophobicContact CB-CE2 3.77Å; K85-Y111 HydrophobicContact CB-CG 4.47Å; K85-Y111 HydrophobicContact CD-CE2 4.15Å; K85-Y111 HydrophobicContact CG-CE1 4.46Å; K85-Y111 HydrophobicContact CG-CE2 3.81Å; K85-Y111 PolarHBondContact NZ-OH 3.02Å
86	H	91.9	Very high	88.9	Confident	79 Å²	79	47.2 Å²	47.2	37%	0.366	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	5.3	-179	-67.8	164.9	0	0	0	114	R52 L53 I82 D83 R84 R88	R52-H86 PolarHBondContact O-CE1 3.48Å; R52-H86 VanDerWaalsContact O-CE1 3.27Å; L53-H86 PolarHBondContact O-NE2 3.21Å; I82-H86 WeakPolarHBondContact O-CB 3.45Å; I82-H86 PolarHBondContact O-N 3.23Å; D83-H86 PolarHBondContact O-N 2.73Å; R84-H86 VanDerWaalsContact C-N 3.33Å; R84-H86 PolarHBondContact O-N 3.07Å; H86-R88 VanDerWaalsContact C-N 3.29Å; H86-R88 PolarHBondContact ND1-NH2 3.25Å; H86-R88 PolarHBondContact O-N 3.33Å
87	G	89.5	Confident	88.9	Confident	64 Å²	64	53.2 Å²	53.2	66%	0.66	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	21.6	179.3	0	0	0	0	0	114.9	D83 R84 K85	D83-G87 PolarHBondContact O-N 2.95Å; D83-G87 VanDerWaalsContact O-N 3.16Å; R84-G87 PolarHBondContact O-N 3.47Å; R84-G87 VanDerWaalsContact O-N 3.16Å; K85-G87 VanDerWaalsContact C-N 3.26Å; K85-G87 PolarHBondContact O-N 2.94Å
88	R	90	Very high	88.9	Confident	147 Å²	147	56.7 Å²	56.7	56%	0.555	29%	0.285	S	S	*	.	S	Bend	trans	-83.6	-21.7	174.7	-73.2	174.9	-81.7	149.2	5	112.6	I82 D83 H86	I82-R88 PolarHBondContact O-NH2 3.31Å; I82-R88 VanDerWaalsContact O-NH2 3.08Å; D83-R88 HydrophobicContact CB-CB 4.16Å; D83-R88 PolarHBondContact O-N 3.04Å; D83-R88 IonicContact OD1-CZ 3.23Å; D83-R88 IonicContact OD1-NE 3.21Å; D83-R88 IonicContact OD1-NH1 3.62Å; D83-R88 PolarHBondContact OD1-NH1 2.99Å; D83-R88 IonicContact OD1-NH2 2.69Å; D83-R88 PolarHBondContact OD1-NH2 3.29Å; H86-R88 VanDerWaalsContact C-N 3.29Å; H86-R88 PolarHBondContact ND1-NH2 3.25Å; H86-R88 PolarHBondContact O-N 3.33Å
89	E	89.1	Confident	88.9	Confident	59 Å²	59	60 Å²	60	28%	0.276	30%	0.3	S	S	.	.	S	Bend	trans	-125.7	144.3	172.1	-172.2	-172.9	138.4	0	0	109.1	D83 R84 I91	D83-E89 HydrophobicContact CB-CB 4.15Å; D83-E89 PolarHBondContact O-N 3.01Å; R84-E89 HydrophobicContact CG-CB 3.94Å; R84-E89 HydrophobicContact CG-CG 4.18Å; R84-E89 IonicContact CZ-OE1 3.44Å; R84-E89 IonicContact NE-OE1 3.34Å; R84-E89 PolarHBondContact NE-OE1 2.84Å; R84-E89 IonicContact NH2-OE1 3.61Å; R84-E89 PolarHBondContact NH2-OE1 2.8Å; E89-I91 PolarHBondContact O-N 3.2Å
90	E	88.3	Confident	88.8	Confident	149 Å²	149	59.8 Å²	59.8	70%	0.696	30%	0.297	S	S	*	.			trans	-68.3	126.9	177.1	-175	170.6	-170.9	0	0	111.2	S92	E90-S92 PolarHBondContact O-N 3.25Å; E90-S92 VanDerWaalsContact O-N 3.1Å; E90-S92 PolarHBondContact O-OG 3.45Å
91	I	89.6	Confident	88.7	Confident	64 Å²	64	64.8 Å²	64.8	33%	0.328	32%	0.318	S	S	.	.			trans	-68.6	111	178.9	-60.2	176.7	0	0	0	109.2	R84 E89 Y93 Y111	R84-I91 HydrophobicContact CB-CG1 4.18Å; E89-I91 PolarHBondContact O-N 3.2Å; I91-Y93 HydrophobicContact CG2-CE1 3.99Å; I91-Y93 HydrophobicContact CG2-CE2 4.34Å; I91-Y111 HydrophobicContact CD1-CD1 4.29Å
92	S	88.6	Confident	88.6	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	33%	0.33	C	S	.	.			trans	-115.3	152.2	176.5	-54.6	0	0	0	0	111.3	R84 E90 P94 D95 G112	R84-S92 PolarHBondContact NH1-O 3.06Å; R84-S92 VanDerWaalsContact NH1-O 3.1Å; E90-S92 PolarHBondContact O-N 3.25Å; E90-S92 VanDerWaalsContact O-N 3.1Å; E90-S92 PolarHBondContact O-OG 3.45Å; S92-P94 CarbonylContact O-C 3.53Å; S92-P94 WeakPolarHBondContact O-CA 3.1Å; S92-D95 VanDerWaalsContact CB-C 3.46Å; S92-G112 VanDerWaalsContact O-CA 3.28Å; S92-G112 WeakPolarHBondContact O-CA 3.18Å
93	Y	89.5	Confident	88.6	Confident	42 Å²	42	66.2 Å²	66.2	17%	0.165	33%	0.329	C	S	.	.	S	Bend	trans	-118	80.1	-171.5	-56.6	-79.3	0	0	0	114.1	I91 Q99 H100 K104 L107	I91-Y93 HydrophobicContact CG2-CE1 3.99Å; I91-Y93 HydrophobicContact CG2-CE2 4.34Å; Y93-Q99 WeakPolarHBondContact O-CA 3.37Å; Y93-Q99 WeakPolarHBondContact O-CB 2.96Å; Y93-H100 PolarHBondContact O-N 3.3Å; Y93-K104 HydrophobicContact CD1-CB 4.37Å; Y93-K104 HydrophobicContact CD2-CB 4.41Å; Y93-K104 HydrophobicContact CE1-CB 4.27Å; Y93-K104 HydrophobicContact CE1-CG 4.02Å; Y93-K104 HydrophobicContact CE2-CB 4.34Å; Y93-K104 HydrophobicContact CE2-CD 4.39Å; Y93-K104 HydrophobicContact CE2-CG 4.16Å; Y93-K104 HydrophobicContact CG-CB 4.43Å; Y93-L107 HydrophobicContact CD1-CB 4.02Å
94	P	83.5	Confident	88.5	Confident	8 Å²	8	68.3 Å²	68.3	5%	0.052	34%	0.336	C	S	.	.	B	Isolated β-bridge	cis	-96.3	-15.3	-2.3	35.4	-38.1	0	0	0	115.8	R84 S92 W98 L107 G112 I114 L177	R84-P94 PolarHBondContact NH1-O 3.33Å; R84-P94 PolarHBondContact NH2-O 3.15Å; S92-P94 CarbonylContact O-C 3.53Å; S92-P94 WeakPolarHBondContact O-CA 3.1Å; P94-W98 WeakPolarHBondContact CD-O 3.36Å; P94-L107 HydrophobicContact CB-CD1 4.1Å; P94-G112 VanDerWaalsContact CA-O 3.3Å; P94-G112 WeakPolarHBondContact CA-O 3.44Å; P94-G112 WeakPolarHBondContact CB-O 3.44Å; P94-I114 HydrophobicContact CB-CD1 4.16Å; P94-I114 HydrophobicContact CB-CG1 4.29Å; P94-I114 HydrophobicContact CG-CD1 4.13Å; P94-L177 HydrophobicContact CG-CD1 3.85Å
95	D	84.7	Confident	88.5	Confident	55 Å²	55	72.2 Å²	72.2	29%	0.294	36%	0.363	S	S	.	.			trans	-126	152.3	-172.5	-176.7	-89.2	0	0	0	111.4	S92 Q97 W98 Q99 L177	S92-D95 VanDerWaalsContact CB-C 3.46Å; D95-Q97 VanDerWaalsContact C-N 3.27Å; D95-Q97 PolarHBondContact O-N 3.03Å; D95-Q97 PolarHBondContact OD1-N 3.33Å; D95-W98 HydrophobicContact CB-CB 4.12Å; D95-W98 CarbonylContact O-C 3.55Å; D95-W98 PolarHBondContact O-N 3.43Å; D95-W98 PolarHBondContact OD1-N 3.02Å; D95-Q99 VanDerWaalsContact O-CB 3.22Å; D95-Q99 WeakPolarHBondContact O-CB 3.06Å; D95-Q99 WeakPolarHBondContact O-CG 3.32Å; D95-Q99 PolarHBondContact O-N 3Å; D95-L177 HydrophobicContact CB-CD1 3.9Å
96	V	83.8	Confident	88.6	Confident	81 Å²	81	71.3 Å²	71.3	49%	0.491	36%	0.36	S	S	.	.	S	Bend	trans	-56.8	-41.1	-176	179.7	0	0	0	0	111.9	Q99	V96-Q99 PolarHBondContact O-NE2 3.27Å
97	Q	84.7	Confident	88.6	Confident	147 Å²	147	67.6 Å²	67.6	69%	0.687	34%	0.342	S	S	*	.	S	Bend	trans	-90.8	-39.8	179.3	-63.5	-65.2	-27.6	0	0	111.5	D95 Q99	D95-Q97 VanDerWaalsContact C-N 3.27Å; D95-Q97 PolarHBondContact O-N 3.03Å; D95-Q97 PolarHBondContact OD1-N 3.33Å; Q97-Q99 PolarHBondContact O-N 3.4Å
98	W	86.6	Confident	88.7	Confident	78 Å²	78	69.8 Å²	69.8	30%	0.295	34%	0.335	S	S	.	.	S	Bend	trans	-104.2	63.5	-172.2	-45.8	107.4	0	0	0	111.6	P94 D95 E169 L170 K173 I174	P94-W98 WeakPolarHBondContact CD-O 3.36Å; D95-W98 HydrophobicContact CB-CB 4.12Å; D95-W98 CarbonylContact O-C 3.55Å; D95-W98 PolarHBondContact O-N 3.43Å; D95-W98 PolarHBondContact OD1-N 3.02Å; W98-E169 HydrophobicContact CH2-CG 4.4Å; W98-E169 HydrophobicContact CZ3-CG 4.26Å; W98-L170 VanDerWaalsContact CA-CD1 3.45Å; W98-L170 HydrophobicContact CB-CD1 3.93Å; W98-L170 HydrophobicContact CE3-CD1 3.98Å; W98-K173 HydrophobicContact CB-CB 4.29Å; W98-K173 HydrophobicContact CD2-CB 3.6Å; W98-K173 HydrophobicContact CD2-CG 3.76Å; W98-K173 HydrophobicContact CE3-CB 3.83Å; W98-K173 HydrophobicContact CE3-CG 3.87Å; W98-K173 HydrophobicContact CG-CB 3.79Å; W98-K173 HydrophobicContact CG-CG 4.41Å; W98-K173 HydrophobicContact CH2-CG 3.99Å; W98-K173 HydrophobicContact CZ2-CD 4.37Å; W98-K173 HydrophobicContact CZ2-CG 3.91Å; W98-K173 HydrophobicContact CZ3-CB 4.43Å; W98-K173 HydrophobicContact CZ3-CG 3.97Å; W98-I174 HydrophobicContact CB-CG1 4.46Å
99	Q	88.7	Confident	88.7	Confident	70 Å²	70	65.1 Å²	65.1	33%	0.327	32%	0.324	S	S	.	.	B	Isolated β-bridge	trans	-122.3	154.8	177.4	54.6	-178.5	-35.4	0	0	113.5	Y93 D95 V96 Q97	Y93-Q99 WeakPolarHBondContact O-CA 3.37Å; Y93-Q99 WeakPolarHBondContact O-CB 2.96Å; D95-Q99 VanDerWaalsContact O-CB 3.22Å; D95-Q99 WeakPolarHBondContact O-CB 3.06Å; D95-Q99 WeakPolarHBondContact O-CG 3.32Å; D95-Q99 PolarHBondContact O-N 3Å; V96-Q99 PolarHBondContact O-NE2 3.27Å; Q97-Q99 PolarHBondContact O-N 3.4Å
100	H	87.8	Confident	88.8	Confident	59 Å²	59	62.3 Å²	62.3	27%	0.273	31%	0.311	S	S	.	.			trans	-141.5	138.8	175.7	-164.8	-96.4	0	0	0	110.7	Y93 S102 L103 L170	Y93-H100 PolarHBondContact O-N 3.3Å; H100-S102 PolarHBondContact CE1-OG 3.35Å; H100-S102 WeakPolarHBondContact ND1-CB 3.33Å; H100-S102 PolarHBondContact ND1-N 3.34Å; H100-S102 PolarHBondContact ND1-OG 2.92Å; H100-S102 PolarHBondContact O-N 2.93Å; H100-L103 HydrophobicContact CB-CG 4.45Å; H100-L103 WeakPolarHBondContact O-CB 3.35Å; H100-L103 PolarHBondContact O-N 3.4Å; H100-L170 HydrophobicContact CB-CD2 4.28Å
101	E	88.4	Confident	88.9	Confident	167 Å²	167	57.3 Å²	57.3	78%	0.78	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-59.3	-32.1	-177.1	-172.8	174.8	-178.6	0	0	112.4	L103 K104	E101-L103 PolarHBondContact O-N 2.95Å; E101-L103 VanDerWaalsContact O-N 3.13Å; E101-K104 VanDerWaalsContact O-CB 3.25Å; E101-K104 WeakPolarHBondContact O-CB 3.37Å; E101-K104 PolarHBondContact O-N 3.13Å
102	S	89.1	Confident	89	Confident	35 Å²	35	54.2 Å²	54.2	25%	0.245	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-63.8	-17.3	176.6	73.3	0	0	0	0	114.2	H100 P105 V126	H100-S102 PolarHBondContact CE1-OG 3.35Å; H100-S102 WeakPolarHBondContact ND1-CB 3.33Å; H100-S102 PolarHBondContact ND1-N 3.34Å; H100-S102 PolarHBondContact ND1-OG 2.92Å; H100-S102 PolarHBondContact O-N 2.93Å; S102-P105 WeakPolarHBondContact O-CD 3.35Å; S102-V126 WeakPolarHBondContact O-CG1 3.41Å
103	L	90.8	Very high	89.1	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-84.5	-13.9	176.3	-62.9	-172	0	0	0	113.2	H100 E101 V106 L107 I123 L127 I174	H100-L103 HydrophobicContact CB-CG 4.45Å; H100-L103 WeakPolarHBondContact O-CB 3.35Å; H100-L103 PolarHBondContact O-N 3.4Å; E101-L103 PolarHBondContact O-N 2.95Å; E101-L103 VanDerWaalsContact O-N 3.13Å; L103-V106 PolarHBondContact O-N 3.41Å; L103-V106 VanDerWaalsContact O-N 3.14Å; L103-L107 HydrophobicContact CB-CD1 4.19Å; L103-L107 PolarHBondContact O-N 3.36Å; L103-I123 HydrophobicContact CD2-CB 4.38Å; L103-I123 HydrophobicContact CD2-CG1 4.02Å; L103-I123 HydrophobicContact CD2-CG2 4.1Å; L103-L127 HydrophobicContact CD1-CD1 3.94Å; L103-L127 HydrophobicContact CD2-CD1 3.81Å; L103-L127 HydrophobicContact CG-CD1 4.06Å; L103-I174 HydrophobicContact CD1-CD1 4Å; L103-I174 HydrophobicContact CD1-CG2 4.29Å
104	K	91.3	Very high	89.2	Confident	90 Å²	90	52.7 Å²	52.7	39%	0.391	27%	0.265	S	S	.	.	H	α-helix	trans	-54.7	-51	-179.6	-179.9	178.2	179.5	-175.8	0	112.3	Y93 E101 V106 L107 E108	Y93-K104 HydrophobicContact CD1-CB 4.37Å; Y93-K104 HydrophobicContact CD2-CB 4.41Å; Y93-K104 HydrophobicContact CE1-CB 4.27Å; Y93-K104 HydrophobicContact CE1-CG 4.02Å; Y93-K104 HydrophobicContact CE2-CB 4.34Å; Y93-K104 HydrophobicContact CE2-CD 4.39Å; Y93-K104 HydrophobicContact CE2-CG 4.16Å; Y93-K104 HydrophobicContact CG-CB 4.43Å; E101-K104 VanDerWaalsContact O-CB 3.25Å; E101-K104 WeakPolarHBondContact O-CB 3.37Å; E101-K104 PolarHBondContact O-N 3.13Å; K104-V106 PolarHBondContact O-N 3Å; K104-V106 VanDerWaalsContact O-N 3.11Å; K104-L107 PolarHBondContact O-N 3.21Å; K104-E108 WeakPolarHBondContact O-CA 3.43Å; K104-E108 WeakPolarHBondContact O-CB 3.23Å; K104-E108 PolarHBondContact O-N 3.18Å
105	P	92.2	Very high	89.6	Confident	95 Å²	95	52.4 Å²	52.4	62%	0.617	26%	0.263	S	S	*	.	H	α-helix	trans	-61.8	-25.7	-179.1	-22.6	34.6	0	0	0	114.3	S102	S102-P105 WeakPolarHBondContact O-CD 3.35Å
106	V	92.1	Very high	90.1	Very high	9 Å²	9	49.8 Å²	49.8	6%	0.055	25%	0.249	C	C	.	.	H	α-helix	trans	-84.5	-37	-178	178.8	0	0	0	0	111.6	L103 K104 Q119 Q122 I123 V126	L103-V106 PolarHBondContact O-N 3.41Å; L103-V106 VanDerWaalsContact O-N 3.14Å; K104-V106 PolarHBondContact O-N 3Å; K104-V106 VanDerWaalsContact O-N 3.11Å; V106-Q119 HydrophobicContact CG1-CB 4.11Å; V106-Q119 HydrophobicContact CG1-CG 4.15Å; V106-Q119 PolarHBondContact O-NE2 3.25Å; V106-Q122 HydrophobicContact CB-CB 4.42Å; V106-Q122 HydrophobicContact CG1-CB 3.62Å; V106-Q122 HydrophobicContact CG2-CB 3.88Å; V106-I123 HydrophobicContact CG1-CG1 4.1Å; V106-V126 HydrophobicContact CG2-CG2 4.22Å
107	L	92.7	Very high	90.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-107.3	-6.5	-171.3	-62.1	-178.9	0	0	0	114	Y93 P94 L103 K104 T110 Y111 G112 I114 Q119 I123	Y93-L107 HydrophobicContact CD1-CB 4.02Å; P94-L107 HydrophobicContact CB-CD1 4.1Å; L103-L107 HydrophobicContact CB-CD1 4.19Å; L103-L107 PolarHBondContact O-N 3.36Å; K104-L107 PolarHBondContact O-N 3.21Å; L107-T110 CarbonylContact O-C 3.55Å; L107-T110 PolarHBondContact O-N 3.42Å; L107-T110 VanDerWaalsContact O-N 3.14Å; L107-T110 PolarHBondContact O-OG1 2.74Å; L107-Y111 PolarHBondContact O-N 2.83Å; L107-G112 PolarHBondContact O-N 2.98Å; L107-I114 HydrophobicContact CD1-CG1 4.31Å; L107-I114 HydrophobicContact CD2-CG1 4.02Å; L107-Q119 HydrophobicContact CD2-CB 4.31Å; L107-Q119 HydrophobicContact CD2-CG 4.39Å; L107-I123 HydrophobicContact CD2-CD1 4.26Å
108	E	90.8	Very high	90.9	Very high	110 Å²	110	43.5 Å²	43.5	51%	0.514	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-55	-44.4	174.4	174.8	170.6	-125.7	0	0	112.9	K104 T110 Y111	K104-E108 WeakPolarHBondContact O-CA 3.43Å; K104-E108 WeakPolarHBondContact O-CB 3.23Å; K104-E108 PolarHBondContact O-N 3.18Å; E108-T110 PolarHBondContact O-N 2.86Å; E108-Y111 PolarHBondContact O-N 3.14Å
109	P	89.9	Confident	91.2	Very high	49 Å²	49	40.1 Å²	40.1	32%	0.318	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-64.6	-13	178.3	-22.1	34.1	0	0	0	114.9
110	T	92.1	Very high	91.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-125.7	23.6	-178	57.1	0	0	0	0	112.3	F81 L107 E108 G112 I113 L115 Y116 Q119	F81-T110 HydrophobicContact CE2-CG2 4.4Å; L107-T110 CarbonylContact O-C 3.55Å; L107-T110 PolarHBondContact O-N 3.42Å; L107-T110 VanDerWaalsContact O-N 3.14Å; L107-T110 PolarHBondContact O-OG1 2.74Å; E108-T110 PolarHBondContact O-N 2.86Å; T110-G112 PolarHBondContact O-N 2.95Å; T110-I113 WeakPolarHBondContact CB-O 3.49Å; T110-I113 WeakPolarHBondContact O-CB 3.47Å; T110-I113 PolarHBondContact O-N 3.5Å; T110-I113 PolarHBondContact OG1-O 2.88Å; T110-L115 HydrophobicContact CG2-CB 4.2Å; T110-L115 HydrophobicContact CG2-CD2 4.37Å; T110-Y116 HydrophobicContact CG2-CD2 3.96Å; T110-Y116 HydrophobicContact CG2-CE2 3.51Å; T110-Q119 PolarHBondContact OG1-NE2 2.92Å
111	Y	91	Very high	91.6	Very high	44 Å²	44	35.4 Å²	35.4	17%	0.173	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	39.3	176.1	-46.6	-68	0	0	0	113.3	D60 F81 R84 K85 I91 L107 E108 I113	D60-Y111 PolarHBondContact OD1-OH 2.85Å; F81-Y111 HydrophobicContact CD1-CD2 4.18Å; F81-Y111 HydrophobicContact CD1-CE2 4.44Å; F81-Y111 HydrophobicContact CD2-CD2 4.44Å; F81-Y111 AromaticContact CE1-CD2 3.7Å; F81-Y111 HydrophobicContact CE1-CD2 3.7Å; F81-Y111 AromaticContact CE1-CE2 3.65Å; F81-Y111 HydrophobicContact CE1-CE2 3.65Å; F81-Y111 HydrophobicContact CE2-CD2 4.01Å; F81-Y111 AromaticContact CZ-CD2 3.61Å; F81-Y111 HydrophobicContact CZ-CD2 3.61Å; F81-Y111 AromaticContact CZ-CE2 3.71Å; F81-Y111 HydrophobicContact CZ-CE2 3.71Å; R84-Y111 WeakPolarHBondContact CD-O 3.32Å; R84-Y111 PolarHBondContact NH1-O 3.12Å; K85-Y111 HydrophobicContact CB-CD2 3.98Å; K85-Y111 HydrophobicContact CB-CE2 3.77Å; K85-Y111 HydrophobicContact CB-CG 4.47Å; K85-Y111 HydrophobicContact CD-CE2 4.15Å; K85-Y111 HydrophobicContact CG-CE1 4.46Å; K85-Y111 HydrophobicContact CG-CE2 3.81Å; K85-Y111 PolarHBondContact NZ-OH 3.02Å; I91-Y111 HydrophobicContact CD1-CD1 4.29Å; L107-Y111 PolarHBondContact O-N 2.83Å; E108-Y111 PolarHBondContact O-N 3.14Å; Y111-I113 VanDerWaalsContact C-N 3.31Å; Y111-I113 PolarHBondContact O-N 3.46Å
112	G	90.7	Very high	91.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	-1.9	179.3	0	0	0	0	0	115.2	R84 S92 P94 L107 T110	R84-G112 PolarHBondContact NH1-O 2.87Å; S92-G112 VanDerWaalsContact O-CA 3.28Å; S92-G112 WeakPolarHBondContact O-CA 3.18Å; P94-G112 VanDerWaalsContact CA-O 3.3Å; P94-G112 WeakPolarHBondContact CA-O 3.44Å; P94-G112 WeakPolarHBondContact CB-O 3.44Å; L107-G112 PolarHBondContact O-N 2.98Å; T110-G112 PolarHBondContact O-N 2.95Å
113	I	90.8	Very high	91.9	Very high	7 Å²	7	29.9 Å²	29.9	4%	0.036	15%	0.151	C	C	.	.			trans	-90.8	132.3	-178.5	-57.3	-62.8	0	0	0	110.7	M77 N80 F81 T110 Y111 L115	M77-I113 HydrophobicContact CE-CG2 4.48Å; M77-I113 HydrophobicContact CG-CG2 3.51Å; M77-I113 HydrophobicContact SD-CG2 4.02Å; N80-I113 HydrophobicContact CB-CD1 4.03Å; F81-I113 HydrophobicContact CB-CG1 4.49Å; F81-I113 HydrophobicContact CD2-CB 4.25Å; F81-I113 HydrophobicContact CD2-CG1 4.25Å; T110-I113 WeakPolarHBondContact CB-O 3.49Å; T110-I113 WeakPolarHBondContact O-CB 3.47Å; T110-I113 PolarHBondContact O-N 3.5Å; T110-I113 PolarHBondContact OG1-O 2.88Å; Y111-I113 VanDerWaalsContact C-N 3.31Å; Y111-I113 PolarHBondContact O-N 3.46Å; I113-L115 PolarHBondContact O-N 2.84Å; I113-L115 VanDerWaalsContact O-N 3.16Å
114	I	91.9	Very high	92	Very high	2 Å²	2	30 Å²	30	1%	0.01	15%	0.151	C	C	.	.			trans	-79.5	98.2	174.8	-57.6	166.3	0	0	0	108.5	P94 L107 V120 I123 V178 F181	P94-I114 HydrophobicContact CB-CD1 4.16Å; P94-I114 HydrophobicContact CB-CG1 4.29Å; P94-I114 HydrophobicContact CG-CD1 4.13Å; L107-I114 HydrophobicContact CD1-CG1 4.31Å; L107-I114 HydrophobicContact CD2-CG1 4.02Å; I114-V120 HydrophobicContact CG2-CG2 3.85Å; I114-I123 HydrophobicContact CD1-CD1 3.98Å; I114-I123 HydrophobicContact CG1-CD1 3.93Å; I114-I123 HydrophobicContact CG2-CD1 4.41Å; I114-V178 HydrophobicContact CD1-CG2 3.82Å; I114-F181 HydrophobicContact CB-CB 4.04Å; I114-F181 HydrophobicContact CB-CD2 4.04Å; I114-F181 HydrophobicContact CB-CG 4.19Å; I114-F181 HydrophobicContact CD1-CD2 3.98Å; I114-F181 HydrophobicContact CG1-CD2 4.44Å; I114-F181 HydrophobicContact CG2-CB 3.99Å
115	L	91.8	Very high	92	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.01	15%	0.15	C	C	.	.			trans	-109	-37.3	-175	-175.6	57.9	0	0	0	112.7	A63 A66 L67 M77 F81 T110 I113 G185 F186	A63-L115 HydrophobicContact CB-CD2 3.75Å; A66-L115 HydrophobicContact CB-CD1 4.03Å; A66-L115 HydrophobicContact CB-CD2 4.1Å; A66-L115 HydrophobicContact CB-CG 4.03Å; L67-L115 HydrophobicContact CD1-CD2 4.48Å; L67-L115 HydrophobicContact CD2-CD1 3.51Å; L67-L115 HydrophobicContact CD2-CD2 4.26Å; L67-L115 HydrophobicContact CG-CD1 3.96Å; L67-L115 HydrophobicContact CG-CD2 4.04Å; M77-L115 HydrophobicContact SD-CD1 3.88Å; F81-L115 HydrophobicContact CE2-CD2 4.36Å; T110-L115 HydrophobicContact CG2-CB 4.2Å; T110-L115 HydrophobicContact CG2-CD2 4.37Å; I113-L115 PolarHBondContact O-N 2.84Å; I113-L115 VanDerWaalsContact O-N 3.16Å; L115-G185 WeakPolarHBondContact O-CA 3.41Å; L115-F186 PolarHBondContact O-N 2.74Å
116	Y	93.9	Very high	92	Very high	1 Å²	1	27.7 Å²	27.7	0%	0.004	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-104.1	149.9	-171.8	-56.4	-61.4	0	0	0	113.7	I62 A63 A66 T110 E118 Q119 V120 F186 K188	I62-Y116 VanDerWaalsContact C-OH 3.29Å; I62-Y116 HydrophobicContact CG2-CE1 4.08Å; I62-Y116 VanDerWaalsContact CG2-OH 3.24Å; I62-Y116 WeakPolarHBondContact CG2-OH 3.38Å; A63-Y116 VanDerWaalsContact CA-OH 3.3Å; A63-Y116 WeakPolarHBondContact CA-OH 3.32Å; A63-Y116 PolarHBondContact N-OH 3.11Å; A63-Y116 VanDerWaalsContact N-OH 3.13Å; A66-Y116 HydrophobicContact CB-CE1 4.04Å; T110-Y116 HydrophobicContact CG2-CD2 3.96Å; T110-Y116 HydrophobicContact CG2-CE2 3.51Å; Y116-E118 PolarHBondContact O-N 3.47Å; Y116-Q119 HydrophobicContact CD2-CG 4.17Å; Y116-Q119 WeakPolarHBondContact O-CB 3.02Å; Y116-Q119 PolarHBondContact O-N 3.26Å; Y116-V120 PolarHBondContact O-N 2.85Å; Y116-F186 CarbonylContact C-O 3.52Å; Y116-F186 VanDerWaalsContact CA-O 3.24Å; Y116-F186 WeakPolarHBondContact CA-O 3.41Å; Y116-K188 HydrophobicContact CD1-CB 3.69Å; Y116-K188 HydrophobicContact CD1-CG 3.94Å; Y116-K188 HydrophobicContact CD2-CB 4.26Å; Y116-K188 HydrophobicContact CD2-CD 3.68Å; Y116-K188 HydrophobicContact CD2-CG 4Å; Y116-K188 HydrophobicContact CE1-CB 4.24Å; Y116-K188 HydrophobicContact CE1-CG 4.03Å; Y116-K188 HydrophobicContact CE2-CD 3.81Å; Y116-K188 HydrophobicContact CE2-CG 4.07Å; Y116-K188 HydrophobicContact CG-CB 3.71Å; Y116-K188 HydrophobicContact CG-CD 4.07Å; Y116-K188 HydrophobicContact CG-CG 3.93Å
117	Q	92.5	Very high	91.9	Very high	50 Å²	50	27.2 Å²	27.2	23%	0.234	14%	0.135	C	C	.	.	H	α-helix	trans	-62.3	-36.3	171.9	-69.7	177	12.5	0	0	111.7	Q119 V120 M121 R139 G185 F186	Q117-Q119 VanDerWaalsContact C-N 3.31Å; Q117-V120 WeakPolarHBondContact O-CB 3.43Å; Q117-V120 PolarHBondContact O-N 3.43Å; Q117-M121 WeakPolarHBondContact O-CG 3.41Å; Q117-M121 PolarHBondContact O-N 2.93Å; Q117-R139 HydrophobicContact CB-CG 4.45Å; Q117-R139 HydrophobicContact CG-CG 4.49Å; Q117-G185 WeakPolarHBondContact CG-O 3.49Å; Q117-G185 PolarHBondContact NE2-O 3.05Å; Q117-F186 PolarHBondContact N-O 2.7Å
118	E	93.4	Very high	91.8	Very high	46 Å²	46	27.5 Å²	27.5	22%	0.215	14%	0.137	C	C	.	.	H	α-helix	trans	-66.5	-33.6	176.4	-66.5	83.7	164.1	0	0	111.2	Y116 M121 Q122 N187 K188 S189	Y116-E118 PolarHBondContact O-N 3.47Å; E118-M121 PolarHBondContact O-N 3.17Å; E118-Q122 WeakPolarHBondContact O-CB 3.16Å; E118-Q122 WeakPolarHBondContact O-CG 3.31Å; E118-Q122 PolarHBondContact O-N 3.46Å; E118-N187 PolarHBondContact OE1-ND2 2.91Å; E118-K188 VanDerWaalsContact CD-N 3.26Å; E118-K188 HydrophobicContact CG-CB 4.33Å; E118-K188 PolarHBondContact OE1-N 3.33Å; E118-K188 VanDerWaalsContact OE1-N 3.09Å; E118-K188 WeakPolarHBondContact OE2-CB 3.46Å; E118-K188 PolarHBondContact OE2-N 2.85Å; E118-S189 PolarHBondContact OE1-N 2.86Å
119	Q	93.2	Very high	91.8	Very high	6 Å²	6	24.8 Å²	24.8	3%	0.028	14%	0.138	C	C	.	.	H	α-helix	trans	-66.6	-42.1	171.9	-72.3	177.3	-45.5	0	0	111.2	V106 L107 T110 Y116 Q117 M121 Q122 I123	V106-Q119 HydrophobicContact CG1-CB 4.11Å; V106-Q119 HydrophobicContact CG1-CG 4.15Å; V106-Q119 PolarHBondContact O-NE2 3.25Å; L107-Q119 HydrophobicContact CD2-CB 4.31Å; L107-Q119 HydrophobicContact CD2-CG 4.39Å; T110-Q119 PolarHBondContact OG1-NE2 2.92Å; Y116-Q119 HydrophobicContact CD2-CG 4.17Å; Y116-Q119 WeakPolarHBondContact O-CB 3.02Å; Y116-Q119 PolarHBondContact O-N 3.26Å; Q117-Q119 VanDerWaalsContact C-N 3.31Å; Q119-M121 PolarHBondContact O-N 3.32Å; Q119-Q122 PolarHBondContact O-N 3.3Å; Q119-I123 WeakPolarHBondContact O-CB 2.97Å; Q119-I123 WeakPolarHBondContact O-CG1 3.46Å; Q119-I123 PolarHBondContact O-N 3.42Å
120	V	91.8	Very high	91.8	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-56.9	-42.2	173.2	172.2	0	0	0	0	111	I114 Y116 Q117 A124 M142 V178	I114-V120 HydrophobicContact CG2-CG2 3.85Å; Y116-V120 PolarHBondContact O-N 2.85Å; Q117-V120 WeakPolarHBondContact O-CB 3.43Å; Q117-V120 PolarHBondContact O-N 3.43Å; V120-A124 PolarHBondContact O-N 3.16Å; V120-M142 HydrophobicContact CG1-SD 4.19Å; V120-V178 HydrophobicContact CB-CG1 4.24Å; V120-V178 HydrophobicContact CG1-CG1 3.54Å; V120-V178 HydrophobicContact CG2-CG1 4.04Å
121	M	92.6	Very high	91.9	Very high	30 Å²	30	28.4 Å²	28.4	15%	0.148	16%	0.157	C	C	.	.	H	α-helix	trans	-67.2	-43.5	178.1	-67.2	167.6	57.9	0	0	112.3	Q117 E118 Q119 A124 Q125 A135 D136	Q117-M121 WeakPolarHBondContact O-CG 3.41Å; Q117-M121 PolarHBondContact O-N 2.93Å; E118-M121 PolarHBondContact O-N 3.17Å; Q119-M121 PolarHBondContact O-N 3.32Å; M121-A124 PolarHBondContact O-N 3.49Å; M121-Q125 PolarHBondContact O-N 3.04Å; M121-A135 HydrophobicContact CB-CB 3.86Å; M121-A135 HydrophobicContact CG-CB 4.16Å; M121-A135 WeakPolarHBondContact O-CB 3.26Å; M121-D136 HydrophobicContact CE-CB 3.9Å; M121-D136 HydrophobicContact SD-CB 4.37Å
122	Q	92.7	Very high	91.8	Very high	85 Å²	85	31 Å²	31	40%	0.397	17%	0.173	S	C	.	.	H	α-helix	trans	-67.2	-36.7	177.6	-75.4	178.3	-24.4	0	0	112.5	V106 E118 Q119 Q125 V126	V106-Q122 HydrophobicContact CB-CB 4.42Å; V106-Q122 HydrophobicContact CG1-CB 3.62Å; V106-Q122 HydrophobicContact CG2-CB 3.88Å; E118-Q122 WeakPolarHBondContact O-CB 3.16Å; E118-Q122 WeakPolarHBondContact O-CG 3.31Å; E118-Q122 PolarHBondContact O-N 3.46Å; Q119-Q122 PolarHBondContact O-N 3.3Å; Q122-Q125 PolarHBondContact O-N 3.28Å; Q122-V126 WeakPolarHBondContact O-CB 3.04Å; Q122-V126 VanDerWaalsContact O-CG2 3.32Å; Q122-V126 WeakPolarHBondContact O-CG2 3.35Å; Q122-V126 PolarHBondContact O-N 3.32Å
123	I	92.2	Very high	91.8	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-59.4	-47.9	172.5	-69.5	163.9	0	0	0	109.7	L103 V106 L107 I114 Q119 Q125 V126 L127 F157 I174 V178	L103-I123 HydrophobicContact CD2-CB 4.38Å; L103-I123 HydrophobicContact CD2-CG1 4.02Å; L103-I123 HydrophobicContact CD2-CG2 4.1Å; V106-I123 HydrophobicContact CG1-CG1 4.1Å; L107-I123 HydrophobicContact CD2-CD1 4.26Å; I114-I123 HydrophobicContact CD1-CD1 3.98Å; I114-I123 HydrophobicContact CG1-CD1 3.93Å; I114-I123 HydrophobicContact CG2-CD1 4.41Å; Q119-I123 WeakPolarHBondContact O-CB 2.97Å; Q119-I123 WeakPolarHBondContact O-CG1 3.46Å; Q119-I123 PolarHBondContact O-N 3.42Å; I123-Q125 VanDerWaalsContact C-N 3.31Å; I123-Q125 PolarHBondContact O-N 2.95Å; I123-V126 PolarHBondContact O-N 3.5Å; I123-L127 HydrophobicContact CG2-CB 4.47Å; I123-L127 WeakPolarHBondContact O-CA 3.42Å; I123-L127 WeakPolarHBondContact O-CB 3.35Å; I123-L127 PolarHBondContact O-N 3.42Å; I123-F157 HydrophobicContact CG2-CZ 4.49Å; I123-I174 HydrophobicContact CG2-CG2 4.25Å; I123-V178 HydrophobicContact CD1-CG2 4.04Å; I123-V178 HydrophobicContact CG2-CG2 4.07Å
124	A	92	Very high	91.9	Very high	1 Å²	1	34 Å²	34	1%	0.008	21%	0.206	C	C	.	.	H	α-helix	trans	-64.1	-35.4	178.6	0	0	0	0	0	113	V120 M121 S128 G129 Y130 A135 L138 F157	V120-A124 PolarHBondContact O-N 3.16Å; M121-A124 PolarHBondContact O-N 3.49Å; A124-S128 CarbonylContact O-C 3.53Å; A124-S128 PolarHBondContact O-N 3.31Å; A124-S128 VanDerWaalsContact O-N 3.16Å; A124-G129 PolarHBondContact O-N 3Å; A124-Y130 HydrophobicContact CB-CD1 4.46Å; A124-Y130 HydrophobicContact CB-CD2 4.38Å; A124-Y130 HydrophobicContact CB-CG 4.11Å; A124-Y130 PolarHBondContact O-N 3.41Å; A124-A135 HydrophobicContact CB-CB 4.13Å; A124-L138 HydrophobicContact CB-CD2 3.62Å; A124-F157 HydrophobicContact CB-CE2 4.27Å
125	Q	92.6	Very high	91.9	Very high	80 Å²	80	33.9 Å²	33.9	37%	0.374	21%	0.206	S	C	.	.	H	α-helix	trans	-66.6	-52.4	175.3	-179.1	-174.3	15.4	0	0	111.8	M121 Q122 I123 G129 L132	M121-Q125 PolarHBondContact O-N 3.04Å; Q122-Q125 PolarHBondContact O-N 3.28Å; I123-Q125 VanDerWaalsContact C-N 3.31Å; I123-Q125 PolarHBondContact O-N 2.95Å; Q125-G129 WeakPolarHBondContact O-CA 3.39Å; Q125-G129 PolarHBondContact O-N 3.3Å; Q125-L132 VanDerWaalsContact OE1-CD2 3.32Å
126	V	91.5	Very high	91.8	Very high	57 Å²	57	35.6 Å²	35.6	35%	0.345	22%	0.215	S	C	.	.	H	α-helix	trans	-75	-40.6	-173.2	174.9	0	0	0	0	111.5	S102 V106 Q122 I123 N164	S102-V126 WeakPolarHBondContact O-CG1 3.41Å; V106-V126 HydrophobicContact CG2-CG2 4.22Å; Q122-V126 WeakPolarHBondContact O-CB 3.04Å; Q122-V126 VanDerWaalsContact O-CG2 3.32Å; Q122-V126 WeakPolarHBondContact O-CG2 3.35Å; Q122-V126 PolarHBondContact O-N 3.32Å; I123-V126 PolarHBondContact O-N 3.5Å; V126-N164 PolarHBondContact O-ND2 2.92Å
127	L	90.1	Very high	91.7	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-83.3	-41.7	-174.1	-152.6	145.1	0	0	0	111.4	L103 I123 F157 A161 N164 I166 A171 I174	L103-L127 HydrophobicContact CD1-CD1 3.94Å; L103-L127 HydrophobicContact CD2-CD1 3.81Å; L103-L127 HydrophobicContact CG-CD1 4.06Å; I123-L127 HydrophobicContact CG2-CB 4.47Å; I123-L127 WeakPolarHBondContact O-CA 3.42Å; I123-L127 WeakPolarHBondContact O-CB 3.35Å; I123-L127 PolarHBondContact O-N 3.42Å; L127-F157 HydrophobicContact CB-CZ 4.4Å; L127-F157 HydrophobicContact CD2-CE1 3.76Å; L127-F157 HydrophobicContact CD2-CZ 3.89Å; L127-A161 HydrophobicContact CD2-CB 3.8Å; L127-A161 WeakPolarHBondContact O-CA 3.45Å; L127-N164 PolarHBondContact O-ND2 3.08Å; L127-I166 HydrophobicContact CB-CD1 4.41Å; L127-I166 HydrophobicContact CD2-CD1 4.07Å; L127-I166 HydrophobicContact CD2-CG2 4.24Å; L127-I166 HydrophobicContact CG-CD1 3.62Å; L127-A171 HydrophobicContact CD2-CB 3.95Å; L127-I174 HydrophobicContact CD1-CD1 3.74Å; L127-I174 HydrophobicContact CD1-CG2 4.13Å
128	S	90.2	Very high	91.6	Very high	6 Å²	6	38.6 Å²	38.6	4%	0.042	23%	0.23	C	C	.	.	H	α-helix	trans	-119.3	7.3	-172.7	-56.8	0	0	0	0	115	A124 Y130 F157 G160	A124-S128 CarbonylContact O-C 3.53Å; A124-S128 PolarHBondContact O-N 3.31Å; A124-S128 VanDerWaalsContact O-N 3.16Å; S128-Y130 VanDerWaalsContact C-N 3.31Å; S128-Y130 PolarHBondContact O-N 3.18Å; S128-F157 WeakPolarHBondContact CB-O 3.4Å; S128-F157 WeakPolarHBondContact OG-CD1 3.37Å; S128-F157 WeakPolarHBondContact OG-CD2 3.32Å; S128-F157 WeakPolarHBondContact OG-CE2 3.48Å; S128-F157 WeakPolarHBondContact OG-CG 3.45Å; S128-F157 PolarHBondContact OG-O 3.47Å; S128-G160 WeakPolarHBondContact O-CA 3.29Å
129	G	90	Very high	91.4	Very high	52 Å²	52	38.6 Å²	38.6	54%	0.536	23%	0.228	S	C	.	.			trans	69.7	23.1	175.2	0	0	0	0	0	114.8	A124 Q125 N164	A124-G129 PolarHBondContact O-N 3Å; Q125-G129 WeakPolarHBondContact O-CA 3.39Å; Q125-G129 PolarHBondContact O-N 3.3Å; G129-N164 PolarHBondContact N-ND2 2.55Å
130	Y	91.6	Very high	91.2	Very high	21 Å²	21	44.7 Å²	44.7	8%	0.082	25%	0.251	C	S	.	.			trans	-64.6	146.8	176.4	-82.8	-125.3	0	0	0	111.3	A124 S128 L138 Q153 V156 F157	A124-Y130 HydrophobicContact CB-CD1 4.46Å; A124-Y130 HydrophobicContact CB-CD2 4.38Å; A124-Y130 HydrophobicContact CB-CG 4.11Å; A124-Y130 PolarHBondContact O-N 3.41Å; S128-Y130 VanDerWaalsContact C-N 3.31Å; S128-Y130 PolarHBondContact O-N 3.18Å; Y130-L138 HydrophobicContact CE1-CB 4.17Å; Y130-L138 HydrophobicContact CE1-CD2 4.28Å; Y130-Q153 PolarHBondContact OH-O 3.35Å; Y130-Q153 VanDerWaalsContact OH-O 3.1Å; Y130-Q153 PolarHBondContact OH-OE1 3.41Å; Y130-V156 HydrophobicContact CE1-CG1 4.42Å; Y130-V156 HydrophobicContact CE2-CG1 3.75Å; Y130-V156 WeakPolarHBondContact OH-CB 3.3Å; Y130-V156 WeakPolarHBondContact OH-CG1 3.22Å; Y130-F157 HydrophobicContact CE2-CB 4.45Å; Y130-F157 HydrophobicContact CE2-CD2 4.31Å; Y130-F157 PolarHBondContact OH-N 3.48Å
131	T	92.6	Very high	91.1	Very high	104 Å²	104	45.1 Å²	45.1	64%	0.638	25%	0.254	S	S	*	.			trans	-69	152.1	162.4	63.6	0	0	0	0	109.5	G133 G134 A135	T131-G133 PolarHBondContact O-N 3.3Å; T131-G134 CarbonylContact O-C 3.45Å; T131-G134 WeakPolarHBondContact O-CA 3.33Å; T131-G134 PolarHBondContact O-N 2.99Å; T131-G134 PolarHBondContact OG1-N 3.31Å; T131-A135 WeakPolarHBondContact O-CB 3.33Å; T131-A135 PolarHBondContact O-N 3.2Å
132	L	90.3	Very high	90.9	Very high	98 Å²	98	43.9 Å²	43.9	51%	0.513	25%	0.249	S	C	.	.	H	α-helix	trans	-55.2	-37.5	177.6	-71.7	172.5	0	0	0	112.5	Q125 A135 D136	Q125-L132 VanDerWaalsContact OE1-CD2 3.32Å; L132-A135 PolarHBondContact O-N 3.35Å; L132-D136 PolarHBondContact O-N 2.98Å
133	G	90.6	Very high	90.6	Very high	50 Å²	50	42.6 Å²	42.6	52%	0.515	26%	0.258	S	S	.	.	H	α-helix	trans	-68	-39.7	173.6	0	0	0	0	0	113.3	T131 A135 D136 M137	T131-G133 PolarHBondContact O-N 3.3Å; G133-A135 VanDerWaalsContact C-N 3.33Å; G133-D136 PolarHBondContact O-N 3.09Å; G133-M137 WeakPolarHBondContact O-CG 3.28Å; G133-M137 PolarHBondContact O-N 3.46Å; G133-M137 VanDerWaalsContact O-N 3.17Å
134	G	91.3	Very high	90.3	Very high	21 Å²	21	49.6 Å²	49.6	22%	0.216	29%	0.289	C	S	.	.	H	α-helix	trans	-64	-38.5	173.2	0	0	0	0	0	112.4	T131 M137 L138	T131-G134 CarbonylContact O-C 3.45Å; T131-G134 WeakPolarHBondContact O-CA 3.33Å; T131-G134 PolarHBondContact O-N 2.99Å; T131-G134 PolarHBondContact OG1-N 3.31Å; G134-M137 WeakPolarHBondContact O-CB 3.42Å; G134-M137 PolarHBondContact O-N 3.38Å; G134-L138 PolarHBondContact O-N 2.99Å
135	A	92	Very high	90	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-67.4	-36.1	177.2	0	0	0	0	0	112.1	M121 A124 T131 L132 G133 M137 L138 R139	M121-A135 HydrophobicContact CB-CB 3.86Å; M121-A135 HydrophobicContact CG-CB 4.16Å; M121-A135 WeakPolarHBondContact O-CB 3.26Å; A124-A135 HydrophobicContact CB-CB 4.13Å; T131-A135 WeakPolarHBondContact O-CB 3.33Å; T131-A135 PolarHBondContact O-N 3.2Å; L132-A135 PolarHBondContact O-N 3.35Å; G133-A135 VanDerWaalsContact C-N 3.33Å; A135-M137 VanDerWaalsContact C-N 3.31Å; A135-M137 PolarHBondContact O-N 2.96Å; A135-L138 WeakPolarHBondContact O-CB 3.46Å; A135-L138 PolarHBondContact O-N 2.91Å; A135-R139 PolarHBondContact O-N 3.48Å
136	D	91.3	Very high	89.7	Confident	37 Å²	37	58.3 Å²	58.3	20%	0.198	33%	0.325	C	S	.	.	H	α-helix	trans	-62.4	-39.7	170.9	-170.2	76.9	0	0	0	111.6	M121 L132 G133 R139 R140	M121-D136 HydrophobicContact CE-CB 3.9Å; M121-D136 HydrophobicContact SD-CB 4.37Å; L132-D136 PolarHBondContact O-N 2.98Å; G133-D136 PolarHBondContact O-N 3.09Å; D136-R139 PolarHBondContact O-N 3.27Å; D136-R139 IonicContact OD1-CZ 3.52Å; D136-R139 IonicContact OD1-NH1 2.95Å; D136-R139 PolarHBondContact OD1-NH1 3.45Å; D136-R139 IonicContact OD1-NH2 2.93Å; D136-R139 PolarHBondContact OD1-NH2 3.41Å; D136-R139 IonicContact OD2-NH2 3.83Å; D136-R139 PolarHBondContact OD2-NH2 2.86Å; D136-R139 VanDerWaalsContact OD2-NH2 3.08Å; D136-R140 WeakPolarHBondContact O-CG 3.35Å; D136-R140 PolarHBondContact O-N 2.97Å; D136-R140 IonicContact OD2-CZ 3.83Å; D136-R140 IonicContact OD2-NE 2.63Å; D136-R140 PolarHBondContact OD2-NE 3.12Å; D136-R140 IonicContact OD2-NH2 2.9Å; D136-R140 PolarHBondContact OD2-NH2 2.89Å
137	M	90.3	Very high	89.4	Confident	114 Å²	114	60.8 Å²	60.8	56%	0.562	34%	0.342	S	S	*	.	H	α-helix	trans	-65.2	-40.4	175.1	-70.2	-62.8	-68	0	0	112	G133 G134 A135 R140 A141	G133-M137 WeakPolarHBondContact O-CG 3.28Å; G133-M137 PolarHBondContact O-N 3.46Å; G133-M137 VanDerWaalsContact O-N 3.17Å; G134-M137 WeakPolarHBondContact O-CB 3.42Å; G134-M137 PolarHBondContact O-N 3.38Å; A135-M137 VanDerWaalsContact C-N 3.31Å; A135-M137 PolarHBondContact O-N 2.96Å; M137-R140 PolarHBondContact O-N 2.85Å; M137-A141 PolarHBondContact O-N 3.38Å
138	L	90.3	Very high	89.3	Confident	1 Å²	1	69 Å²	69	1%	0.005	38%	0.381	C	S	.	.	H	α-helix	trans	-57.6	-49.5	172.1	177.1	65.5	0	0	0	111.1	A124 Y130 G134 A135 R140 A141 M142 Q153 F157 F175	A124-L138 HydrophobicContact CB-CD2 3.62Å; Y130-L138 HydrophobicContact CE1-CB 4.17Å; Y130-L138 HydrophobicContact CE1-CD2 4.28Å; G134-L138 PolarHBondContact O-N 2.99Å; A135-L138 WeakPolarHBondContact O-CB 3.46Å; A135-L138 PolarHBondContact O-N 2.91Å; L138-R140 VanDerWaalsContact C-N 3.3Å; L138-R140 PolarHBondContact O-N 3.13Å; L138-A141 WeakPolarHBondContact O-CB 3.44Å; L138-A141 PolarHBondContact O-N 3.25Å; L138-A141 VanDerWaalsContact O-N 3.09Å; L138-M142 HydrophobicContact CD1-CE 3.98Å; L138-M142 HydrophobicContact CD2-CE 4.23Å; L138-M142 HydrophobicContact CG-CE 4.02Å; L138-M142 HydrophobicContact CG-SD 4.45Å; L138-M142 PolarHBondContact O-N 2.88Å; L138-Q153 HydrophobicContact CD1-CB 3.53Å; L138-Q153 HydrophobicContact CD1-CG 3.79Å; L138-F157 HydrophobicContact CD2-CD2 4.39Å; L138-F175 HydrophobicContact CD1-CE2 3.99Å; L138-F175 HydrophobicContact CD1-CZ 4.32Å
139	R	90.6	Very high	89.2	Confident	46 Å²	46	73 Å²	73	17%	0.174	40%	0.399	C	S	.	.	H	α-helix	trans	-58	-42	176.3	-174.6	-143.9	62.2	-142.6	-17.6	111.6	Q117 A135 D136 A141 M142 G143	Q117-R139 HydrophobicContact CB-CG 4.45Å; Q117-R139 HydrophobicContact CG-CG 4.49Å; A135-R139 PolarHBondContact O-N 3.48Å; D136-R139 PolarHBondContact O-N 3.27Å; D136-R139 IonicContact OD1-CZ 3.52Å; D136-R139 IonicContact OD1-NH1 2.95Å; D136-R139 PolarHBondContact OD1-NH1 3.45Å; D136-R139 IonicContact OD1-NH2 2.93Å; D136-R139 PolarHBondContact OD1-NH2 3.41Å; D136-R139 IonicContact OD2-NH2 3.83Å; D136-R139 PolarHBondContact OD2-NH2 2.86Å; D136-R139 VanDerWaalsContact OD2-NH2 3.08Å; R139-A141 VanDerWaalsContact C-N 3.35Å; R139-M142 PolarHBondContact O-N 2.83Å; R139-G143 PolarHBondContact O-N 2.88Å
140	R	89.2	Confident	89	Confident	133 Å²	133	71 Å²	71	50%	0.502	38%	0.375	S	S	.	.	H	α-helix	trans	-63.8	-38.9	175.6	-70.9	174.9	-173.4	-101.3	-0.1	112.2	D136 M137 L138 G143 K144	D136-R140 WeakPolarHBondContact O-CG 3.35Å; D136-R140 PolarHBondContact O-N 2.97Å; D136-R140 IonicContact OD2-CZ 3.83Å; D136-R140 IonicContact OD2-NE 2.63Å; D136-R140 PolarHBondContact OD2-NE 3.12Å; D136-R140 IonicContact OD2-NH2 2.9Å; D136-R140 PolarHBondContact OD2-NH2 2.89Å; M137-R140 PolarHBondContact O-N 2.85Å; L138-R140 VanDerWaalsContact C-N 3.3Å; L138-R140 PolarHBondContact O-N 3.13Å; R140-G143 PolarHBondContact O-N 2.73Å; R140-K144 WeakPolarHBondContact O-CG 3.31Å; R140-K144 PolarHBondContact O-N 3.42Å; R140-K144 VanDerWaalsContact O-N 3.1Å
141	A	89.5	Confident	88.8	Confident	10 Å²	10	72.6 Å²	72.6	8%	0.083	39%	0.393	C	S	.	.	H	α-helix	trans	-64.3	-45.5	176.7	0	0	0	0	0	111.1	M137 L138 R139 G143 K144 K145 M150 Q153	M137-A141 PolarHBondContact O-N 3.38Å; L138-A141 WeakPolarHBondContact O-CB 3.44Å; L138-A141 PolarHBondContact O-N 3.25Å; L138-A141 VanDerWaalsContact O-N 3.09Å; R139-A141 VanDerWaalsContact C-N 3.35Å; A141-G143 VanDerWaalsContact C-N 3.34Å; A141-G143 PolarHBondContact O-N 3.04Å; A141-K144 PolarHBondContact O-N 3Å; A141-K145 PolarHBondContact O-N 3.03Å; A141-M150 HydrophobicContact CB-SD 4.22Å; A141-Q153 HydrophobicContact CB-CG 4.28Å
142	M	88.1	Confident	88.7	Confident	5 Å²	5	74 Å²	74	3%	0.025	39%	0.39	C	S	.	.	H	α-helix	trans	-59.5	-41.3	175.3	-72.1	179.6	172.8	0	0	112.4	V120 L138 R139 K145 M150 F175 V178 E179 A182	V120-M142 HydrophobicContact CG1-SD 4.19Å; L138-M142 HydrophobicContact CD1-CE 3.98Å; L138-M142 HydrophobicContact CD2-CE 4.23Å; L138-M142 HydrophobicContact CG-CE 4.02Å; L138-M142 HydrophobicContact CG-SD 4.45Å; L138-M142 PolarHBondContact O-N 2.88Å; R139-M142 PolarHBondContact O-N 2.83Å; M142-K145 WeakPolarHBondContact O-CG 3.46Å; M142-K145 PolarHBondContact O-N 3.34Å; M142-M150 HydrophobicContact CB-SD 4.47Å; M142-M150 HydrophobicContact CE-CE 4.46Å; M142-M150 HydrophobicContact CG-CE 3.79Å; M142-M150 HydrophobicContact CG-SD 3.92Å; M142-F175 HydrophobicContact CE-CD2 4.24Å; M142-F175 HydrophobicContact CE-CE1 4.15Å; M142-F175 HydrophobicContact CE-CE2 3.74Å; M142-F175 HydrophobicContact CE-CZ 3.69Å; M142-V178 HydrophobicContact CE-CB 4.42Å; M142-V178 HydrophobicContact CE-CG1 3.73Å; M142-V178 HydrophobicContact SD-CG1 3.88Å; M142-E179 HydrophobicContact CE-CB 4.4Å; M142-A182 HydrophobicContact CB-CB 3.92Å; M142-A182 HydrophobicContact CG-CB 4.41Å; M142-A182 HydrophobicContact SD-CB 3.72Å
143	G	86.1	Confident	88.7	Confident	58 Å²	58	70.7 Å²	70.7	60%	0.598	37%	0.372	S	S	*	.	H	α-helix	trans	-66.1	-37.2	176.4	0	0	0	0	0	113.6	R139 R140 A141	R139-G143 PolarHBondContact O-N 2.88Å; R140-G143 PolarHBondContact O-N 2.73Å; A141-G143 VanDerWaalsContact C-N 3.34Å; A141-G143 PolarHBondContact O-N 3.04Å
144	K	86.2	Confident	88.7	Confident	148 Å²	148	71.8 Å²	71.8	64%	0.643	36%	0.36	S	S	*	.	H	α-helix	trans	-79.7	-19	178.6	-70.3	-179.2	-178.4	178.6	0	113.7	R140 A141 K146	R140-K144 WeakPolarHBondContact O-CG 3.31Å; R140-K144 PolarHBondContact O-N 3.42Å; R140-K144 VanDerWaalsContact O-N 3.1Å; A141-K144 PolarHBondContact O-N 3Å; K144-K146 HydrophobicContact CB-CG 4.25Å; K144-K146 PolarHBondContact O-N 2.82Å
145	K	84.7	Confident	88.7	Confident	144 Å²	144	74 Å²	74	63%	0.626	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	37.7	179.9	-59	-174.9	177.9	-176.6	0	114.2	A141 M142 P147	A141-K145 PolarHBondContact O-N 3.03Å; M142-K145 WeakPolarHBondContact O-CG 3.46Å; M142-K145 PolarHBondContact O-N 3.34Å; K145-P147 WeakPolarHBondContact O-CD 3.41Å
146	K	86.5	Confident	88.6	Confident	119 Å²	119	77.1 Å²	77.1	52%	0.517	39%	0.392	S	S	.	.			trans	-76.7	119.4	177.3	-72.5	-171.6	175.4	-165.8	0	109.8	K144 E148 E149 M150	K144-K146 HydrophobicContact CB-CG 4.25Å; K144-K146 PolarHBondContact O-N 2.82Å; K146-E148 PolarHBondContact O-N 3.28Å; K146-E149 HydrophobicContact CB-CB 4.08Å; K146-E149 HydrophobicContact CB-CG 4.23Å; K146-E149 HydrophobicContact CD-CG 4.43Å; K146-E149 PolarHBondContact O-N 3.28Å; K146-M150 WeakPolarHBondContact O-CG 3.33Å; K146-M150 PolarHBondContact O-N 2.68Å
147	P	85.5	Confident	88.6	Confident	109 Å²	109	75.5 Å²	75.5	71%	0.708	38%	0.383	S	S	*	.	H	α-helix	trans	-56.5	-45.5	-172.9	-27.8	35.2	0	0	0	114.4	K145 M150 A151	K145-P147 WeakPolarHBondContact O-CD 3.41Å; P147-M150 PolarHBondContact O-N 2.85Å; P147-A151 PolarHBondContact O-N 3.27Å
148	E	88.5	Confident	88.7	Confident	174 Å²	174	71 Å²	71	81%	0.813	36%	0.364	S	S	*	.	H	α-helix	trans	-66.2	-44.1	-178.2	-64.4	179.7	170.2	0	0	112.7	K146 A151 K152	K146-E148 PolarHBondContact O-N 3.28Å; E148-A151 PolarHBondContact O-N 3.19Å; E148-K152 PolarHBondContact O-N 2.92Å; E148-K152 VanDerWaalsContact O-N 3.09Å
149	E	87.1	Confident	88.7	Confident	89 Å²	89	76.3 Å²	76.3	42%	0.416	39%	0.389	S	S	.	.	H	α-helix	trans	-64.7	-41.3	177.4	-73.7	-69.4	151.5	0	0	111	K146 K152 Q153	K146-E149 HydrophobicContact CB-CB 4.08Å; K146-E149 HydrophobicContact CB-CG 4.23Å; K146-E149 HydrophobicContact CD-CG 4.43Å; K146-E149 PolarHBondContact O-N 3.28Å; E149-K152 PolarHBondContact O-N 3.07Å; E149-Q153 VanDerWaalsContact O-CG 3.27Å; E149-Q153 WeakPolarHBondContact O-CG 3.3Å; E149-Q153 PolarHBondContact O-N 3.43Å
150	M	85.7	Confident	88.7	Confident	10 Å²	10	74.5 Å²	74.5	5%	0.049	38%	0.384	C	S	.	.	H	α-helix	trans	-64.5	-40.2	177.5	-73.8	-57.1	-65.2	0	0	112.1	A141 M142 K146 P147 Q153 R154 F175 E179	A141-M150 HydrophobicContact CB-SD 4.22Å; M142-M150 HydrophobicContact CB-SD 4.47Å; M142-M150 HydrophobicContact CE-CE 4.46Å; M142-M150 HydrophobicContact CG-CE 3.79Å; M142-M150 HydrophobicContact CG-SD 3.92Å; K146-M150 WeakPolarHBondContact O-CG 3.33Å; K146-M150 PolarHBondContact O-N 2.68Å; P147-M150 PolarHBondContact O-N 2.85Å; M150-Q153 PolarHBondContact O-N 3.21Å; M150-R154 WeakPolarHBondContact O-CB 3.49Å; M150-R154 VanDerWaalsContact O-CG 3.3Å; M150-R154 WeakPolarHBondContact O-CG 3.42Å; M150-R154 PolarHBondContact O-N 2.83Å; M150-F175 HydrophobicContact CE-CE1 3.61Å; M150-F175 HydrophobicContact CE-CZ 3.61Å; M150-E179 HydrophobicContact CE-CB 4.5Å; M150-E179 VanDerWaalsContact CE-CD 3.45Å; M150-E179 HydrophobicContact CE-CG 3.91Å
151	A	88.6	Confident	88.8	Confident	54 Å²	54	68.1 Å²	68.1	45%	0.446	36%	0.36	S	S	.	.	H	α-helix	trans	-61.3	-44.1	174.6	0	0	0	0	0	111.7	P147 E148 R154 S155	P147-A151 PolarHBondContact O-N 3.27Å; E148-A151 PolarHBondContact O-N 3.19Å; A151-R154 WeakPolarHBondContact O-CB 3.37Å; A151-R154 PolarHBondContact O-N 3.13Å; A151-S155 PolarHBondContact O-N 3.38Å; A151-S155 PolarHBondContact O-OG 3.29Å
152	K	90.1	Very high	88.8	Confident	134 Å²	134	73.5 Å²	73.5	58%	0.583	38%	0.384	S	S	*	.	H	α-helix	trans	-61	-46.5	176	-174.6	-179.9	-179.8	-179.5	0	112	E148 E149 R154 S155 V156	E148-K152 PolarHBondContact O-N 2.92Å; E148-K152 VanDerWaalsContact O-N 3.09Å; E149-K152 PolarHBondContact O-N 3.07Å; K152-R154 VanDerWaalsContact C-N 3.35Å; K152-S155 PolarHBondContact O-N 2.86Å; K152-V156 WeakPolarHBondContact O-CG2 3.37Å; K152-V156 PolarHBondContact O-N 3.24Å
153	Q	90.7	Very high	89	Confident	28 Å²	28	81.4 Å²	81.4	13%	0.131	42%	0.418	C	S	.	.	H	α-helix	trans	-65.6	-36.9	178.6	-68.6	-59.2	-33.2	0	0	112.4	Y130 L138 A141 E149 M150 S155 V156 F157	Y130-Q153 PolarHBondContact OH-O 3.35Å; Y130-Q153 VanDerWaalsContact OH-O 3.1Å; Y130-Q153 PolarHBondContact OH-OE1 3.41Å; L138-Q153 HydrophobicContact CD1-CB 3.53Å; L138-Q153 HydrophobicContact CD1-CG 3.79Å; A141-Q153 HydrophobicContact CB-CG 4.28Å; E149-Q153 VanDerWaalsContact O-CG 3.27Å; E149-Q153 WeakPolarHBondContact O-CG 3.3Å; E149-Q153 PolarHBondContact O-N 3.43Å; M150-Q153 PolarHBondContact O-N 3.21Å; Q153-S155 PolarHBondContact O-N 3.39Å; Q153-V156 PolarHBondContact O-N 3.02Å; Q153-F157 WeakPolarHBondContact O-CB 3.07Å; Q153-F157 PolarHBondContact O-N 3.04Å
154	R	90.8	Very high	89	Confident	73 Å²	73	82.4 Å²	82.4	28%	0.275	41%	0.41	S	S	.	.	H	α-helix	trans	-57.8	-46.6	174	-82.2	177.8	176.7	-109.3	-3.9	111.7	M150 A151 K152 F157 A158 M172 F175 D176 E179	M150-R154 WeakPolarHBondContact O-CB 3.49Å; M150-R154 VanDerWaalsContact O-CG 3.3Å; M150-R154 WeakPolarHBondContact O-CG 3.42Å; M150-R154 PolarHBondContact O-N 2.83Å; A151-R154 WeakPolarHBondContact O-CB 3.37Å; A151-R154 PolarHBondContact O-N 3.13Å; K152-R154 VanDerWaalsContact C-N 3.35Å; R154-F157 PolarHBondContact O-N 3.4Å; R154-A158 PolarHBondContact O-N 3.08Å; R154-M172 HydrophobicContact CB-CE 4.13Å; R154-M172 HydrophobicContact CG-CE 4.04Å; R154-F175 HydrophobicContact CB-CZ 4.49Å; R154-F175 HydrophobicContact CG-CD1 3.71Å; R154-F175 HydrophobicContact CG-CE1 3.26Å; R154-F175 HydrophobicContact CG-CE2 4.19Å; R154-F175 HydrophobicContact CG-CG 4.36Å; R154-F175 HydrophobicContact CG-CZ 3.53Å; R154-D176 IonicContact CZ-OD1 3.19Å; R154-D176 IonicContact NH1-OD1 2.86Å; R154-D176 PolarHBondContact NH1-OD1 3.2Å; R154-D176 IonicContact NH2-OD1 2.71Å; R154-D176 PolarHBondContact NH2-OD1 2.83Å; R154-E179 IonicContact CZ-OE2 3.63Å; R154-E179 IonicContact NE-OE2 3.74Å; R154-E179 IonicContact NH2-OE2 2.72Å; R154-E179 PolarHBondContact NH2-OE2 2.68Å
155	S	90.4	Very high	89.1	Confident	69 Å²	69	78.7 Å²	78.7	48%	0.483	41%	0.413	S	S	.	.	H	α-helix	trans	-61.3	-46.4	177.1	-61.4	0	0	0	0	112.4	A151 K152 Q153 F157 A158 E159	A151-S155 PolarHBondContact O-N 3.38Å; A151-S155 PolarHBondContact O-OG 3.29Å; K152-S155 PolarHBondContact O-N 2.86Å; Q153-S155 PolarHBondContact O-N 3.39Å; S155-F157 VanDerWaalsContact C-N 3.29Å; S155-F157 PolarHBondContact O-N 3.21Å; S155-A158 PolarHBondContact O-N 3.41Å; S155-E159 WeakPolarHBondContact O-CG 3.24Å; S155-E159 PolarHBondContact O-N 3.08Å
156	V	91	Very high	89.2	Confident	65 Å²	65	72.3 Å²	72.3	39%	0.394	39%	0.386	S	S	.	.	H	α-helix	trans	-64	-36.3	178.5	178.3	0	0	0	0	111.3	Y130 K152 Q153 G160	Y130-V156 HydrophobicContact CE1-CG1 4.42Å; Y130-V156 HydrophobicContact CE2-CG1 3.75Å; Y130-V156 WeakPolarHBondContact OH-CB 3.3Å; Y130-V156 WeakPolarHBondContact OH-CG1 3.22Å; K152-V156 WeakPolarHBondContact O-CG2 3.37Å; K152-V156 PolarHBondContact O-N 3.24Å; Q153-V156 PolarHBondContact O-N 3.02Å; V156-G160 PolarHBondContact O-N 3.48Å
157	F	91.6	Very high	89.3	Confident	2 Å²	2	71.4 Å²	71.4	1%	0.009	39%	0.387	C	S	.	.	H	α-helix	trans	-66.2	-42.3	176.4	-165.8	-87.2	0	0	0	112.4	I123 A124 L127 S128 Y130 L138 Q153 R154 S155 A161 A171 F175	I123-F157 HydrophobicContact CG2-CZ 4.49Å; A124-F157 HydrophobicContact CB-CE2 4.27Å; L127-F157 HydrophobicContact CB-CZ 4.4Å; L127-F157 HydrophobicContact CD2-CE1 3.76Å; L127-F157 HydrophobicContact CD2-CZ 3.89Å; S128-F157 WeakPolarHBondContact CB-O 3.4Å; S128-F157 WeakPolarHBondContact OG-CD1 3.37Å; S128-F157 WeakPolarHBondContact OG-CD2 3.32Å; S128-F157 WeakPolarHBondContact OG-CE2 3.48Å; S128-F157 WeakPolarHBondContact OG-CG 3.45Å; S128-F157 PolarHBondContact OG-O 3.47Å; Y130-F157 HydrophobicContact CE2-CB 4.45Å; Y130-F157 HydrophobicContact CE2-CD2 4.31Å; Y130-F157 PolarHBondContact OH-N 3.48Å; L138-F157 HydrophobicContact CD2-CD2 4.39Å; Q153-F157 WeakPolarHBondContact O-CB 3.07Å; Q153-F157 PolarHBondContact O-N 3.04Å; R154-F157 PolarHBondContact O-N 3.4Å; S155-F157 VanDerWaalsContact C-N 3.29Å; S155-F157 PolarHBondContact O-N 3.21Å; F157-A161 WeakPolarHBondContact O-CB 3.2Å; F157-A161 PolarHBondContact O-N 2.93Å; F157-A171 HydrophobicContact CD1-CB 4.49Å; F157-A171 HydrophobicContact CE1-CB 4.25Å; F157-A171 WeakPolarHBondContact CE1-O 3.5Å; F157-F175 HydrophobicContact CB-CD2 3.81Å; F157-F175 HydrophobicContact CB-CE2 4.07Å; F157-F175 HydrophobicContact CD1-CB 4.05Å; F157-F175 AromaticContact CD1-CD2 3.8Å; F157-F175 HydrophobicContact CD1-CD2 3.8Å; F157-F175 HydrophobicContact CD1-CG 4.39Å; F157-F175 AromaticContact CD2-CD2 3.79Å; F157-F175 HydrophobicContact CD2-CD2 3.79Å; F157-F175 HydrophobicContact CD2-CE2 4.28Å; F157-F175 HydrophobicContact CE1-CB 4.06Å; F157-F175 HydrophobicContact CE1-CD2 4.28Å; F157-F175 HydrophobicContact CE2-CD2 4.27Å; F157-F175 AromaticContact CG-CD2 3.53Å; F157-F175 HydrophobicContact CG-CD2 3.53Å; F157-F175 HydrophobicContact CG-CE2 4.16Å
158	A	90.9	Very high	89.3	Confident	20 Å²	20	67.8 Å²	67.8	17%	0.165	37%	0.366	C	S	.	.	H	α-helix	trans	-65.2	-50.5	177.4	0	0	0	0	0	112.1	R154 S155 G160 A161 E162 M172	R154-A158 PolarHBondContact O-N 3.08Å; S155-A158 PolarHBondContact O-N 3.41Å; A158-G160 VanDerWaalsContact C-N 3.26Å; A158-G160 PolarHBondContact O-N 3.01Å; A158-A161 PolarHBondContact O-N 2.95Å; A158-A161 VanDerWaalsContact O-N 3.12Å; A158-E162 PolarHBondContact O-N 2.95Å; A158-M172 HydrophobicContact CB-SD 3.91Å
159	E	91.1	Very high	89.3	Confident	112 Å²	112	65.5 Å²	65.5	52%	0.523	36%	0.355	S	S	.	.	H	α-helix	trans	-60.2	-38	177.4	-71.7	179.3	-165.3	0	0	112.1	S155 K163	S155-E159 WeakPolarHBondContact O-CG 3.24Å; S155-E159 PolarHBondContact O-N 3.08Å; E159-K163 WeakPolarHBondContact O-CG 3.47Å; E159-K163 PolarHBondContact O-N 3.37Å; E159-K163 VanDerWaalsContact O-N 3.13Å
160	G	90.6	Very high	89.4	Confident	8 Å²	8	62.4 Å²	62.4	8%	0.082	34%	0.341	C	S	.	.	H	α-helix	trans	-65.8	-40.3	175.9	0	0	0	0	0	112.8	S128 V156 A158 K163 N164	S128-G160 WeakPolarHBondContact O-CA 3.29Å; V156-G160 PolarHBondContact O-N 3.48Å; A158-G160 VanDerWaalsContact C-N 3.26Å; A158-G160 PolarHBondContact O-N 3.01Å; G160-K163 PolarHBondContact O-N 3.27Å; G160-N164 PolarHBondContact O-N 2.88Å
161	A	90.3	Very high	89.6	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-67.3	-42	178.4	0	0	0	0	0	111.8	L127 F157 A158 K163 N164 G165 I166 A171	L127-A161 HydrophobicContact CD2-CB 3.8Å; L127-A161 WeakPolarHBondContact O-CA 3.45Å; F157-A161 WeakPolarHBondContact O-CB 3.2Å; F157-A161 PolarHBondContact O-N 2.93Å; A158-A161 PolarHBondContact O-N 2.95Å; A158-A161 VanDerWaalsContact O-N 3.12Å; A161-K163 VanDerWaalsContact C-N 3.33Å; A161-K163 PolarHBondContact O-N 3.1Å; A161-N164 CarbonylContact O-C 3.6Å; A161-N164 PolarHBondContact O-N 3.16Å; A161-N164 VanDerWaalsContact O-N 3.13Å; A161-G165 PolarHBondContact O-N 3.33Å; A161-I166 HydrophobicContact CB-CB 4.29Å; A161-I166 PolarHBondContact O-N 3.46Å; A161-A171 HydrophobicContact CB-CB 3.34Å
162	E	90.8	Very high	89.6	Confident	123 Å²	123	61.7 Å²	61.7	58%	0.575	33%	0.329	S	S	*	.	H	α-helix	trans	-61.1	-41.5	174.7	-72.6	-176.2	172.2	0	0	111.8	A158 N164 G165 A168	A158-E162 PolarHBondContact O-N 2.95Å; E162-N164 PolarHBondContact O-N 2.66Å; E162-G165 PolarHBondContact O-N 3.15Å; E162-A168 HydrophobicContact CG-CB 4.25Å
163	K	90.9	Very high	89.7	Confident	170 Å²	170	59.4 Å²	59.4	74%	0.739	32%	0.319	S	S	*	.	H	α-helix	trans	-61.7	-29	175.5	-76.5	174	-174.2	169.8	0	113.4	E159 G160 A161 G165	E159-K163 WeakPolarHBondContact O-CG 3.47Å; E159-K163 PolarHBondContact O-N 3.37Å; E159-K163 VanDerWaalsContact O-N 3.13Å; G160-K163 PolarHBondContact O-N 3.27Å; A161-K163 VanDerWaalsContact C-N 3.33Å; A161-K163 PolarHBondContact O-N 3.1Å; K163-G165 VanDerWaalsContact C-N 3.33Å
164	N	87.4	Confident	89.7	Confident	80 Å²	80	58 Å²	58	43%	0.428	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	6.3	176.8	-71	-18.7	0	0	0	113.3	V126 L127 G129 G160 A161 E162 I166	V126-N164 PolarHBondContact O-ND2 2.92Å; L127-N164 PolarHBondContact O-ND2 3.08Å; G129-N164 PolarHBondContact N-ND2 2.55Å; G160-N164 PolarHBondContact O-N 2.88Å; A161-N164 CarbonylContact O-C 3.6Å; A161-N164 PolarHBondContact O-N 3.16Å; A161-N164 VanDerWaalsContact O-N 3.13Å; E162-N164 PolarHBondContact O-N 2.66Å; N164-I166 HydrophobicContact CB-CD1 4.38Å; N164-I166 HydrophobicContact CB-CG1 4.41Å
165	G	88.3	Confident	89.7	Confident	69 Å²	69	54.6 Å²	54.6	71%	0.711	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	19.8	178.2	0	0	0	0	0	114.4	A161 E162 K163	A161-G165 PolarHBondContact O-N 3.33Å; E162-G165 PolarHBondContact O-N 3.15Å; K163-G165 VanDerWaalsContact C-N 3.33Å
166	I	87.6	Confident	89.7	Confident	10 Å²	10	53.9 Å²	53.9	5%	0.051	29%	0.291	C	S	.	.			trans	-98.4	136.2	-178	-56.6	178.4	0	0	0	109.2	L127 A161 N164 A168 L170	L127-I166 HydrophobicContact CB-CD1 4.41Å; L127-I166 HydrophobicContact CD2-CD1 4.07Å; L127-I166 HydrophobicContact CD2-CG2 4.24Å; L127-I166 HydrophobicContact CG-CD1 3.62Å; A161-I166 HydrophobicContact CB-CB 4.29Å; A161-I166 PolarHBondContact O-N 3.46Å; N164-I166 HydrophobicContact CB-CD1 4.38Å; N164-I166 HydrophobicContact CB-CG1 4.41Å; I166-A168 PolarHBondContact O-N 3.2Å; I166-L170 HydrophobicContact CG2-CD2 4.15Å
167	N	87.9	Confident	89.6	Confident	101 Å²	101	52.5 Å²	52.5	54%	0.54	28%	0.281	S	S	.	.			trans	-58	130.3	179.8	-178.8	-67.4	0	0	0	111.1	E169 L170 A171	N167-E169 VanDerWaalsContact C-N 3.32Å; N167-E169 PolarHBondContact O-N 2.93Å; N167-E169 WeakPolarHBondContact OD1-CA 3.47Å; N167-E169 VanDerWaalsContact OD1-CB 3.26Å; N167-E169 WeakPolarHBondContact OD1-CB 3.48Å; N167-E169 PolarHBondContact OD1-N 3.32Å; N167-L170 HydrophobicContact CB-CB 4.09Å; N167-L170 WeakPolarHBondContact O-CB 3.44Å; N167-L170 PolarHBondContact O-N 3.08Å; N167-L170 PolarHBondContact OD1-N 3.19Å; N167-A171 PolarHBondContact O-N 3.41Å
168	A	84.9	Confident	89.4	Confident	32 Å²	32	52.6 Å²	52.6	26%	0.264	28%	0.281	S	S	.	.	H	α-helix	trans	-61.8	-36.3	-176.2	0	0	0	0	0	113.2	E162 I166 A171 M172	E162-A168 HydrophobicContact CG-CB 4.25Å; I166-A168 PolarHBondContact O-N 3.2Å; A168-A171 PolarHBondContact O-N 2.72Å; A168-M172 WeakPolarHBondContact O-CB 3.43Å; A168-M172 VanDerWaalsContact O-CG 3.29Å; A168-M172 WeakPolarHBondContact O-CG 3.07Å; A168-M172 PolarHBondContact O-N 3.47Å
169	E	88.7	Confident	89.3	Confident	126 Å²	126	54.4 Å²	54.4	59%	0.589	29%	0.287	S	S	*	.	H	α-helix	trans	-66.1	-44.4	176.9	-171.3	174	-173	0	0	110.9	W98 N167 A171 M172 K173	W98-E169 HydrophobicContact CH2-CG 4.4Å; W98-E169 HydrophobicContact CZ3-CG 4.26Å; N167-E169 VanDerWaalsContact C-N 3.32Å; N167-E169 PolarHBondContact O-N 2.93Å; N167-E169 WeakPolarHBondContact OD1-CA 3.47Å; N167-E169 VanDerWaalsContact OD1-CB 3.26Å; N167-E169 WeakPolarHBondContact OD1-CB 3.48Å; N167-E169 PolarHBondContact OD1-N 3.32Å; E169-A171 PolarHBondContact O-N 2.94Å; E169-M172 PolarHBondContact O-N 3.2Å; E169-K173 WeakPolarHBondContact O-CG 3.44Å; E169-K173 PolarHBondContact O-N 3.02Å
170	L	89.4	Confident	89.1	Confident	24 Å²	24	55.6 Å²	55.6	13%	0.126	29%	0.29	C	S	.	.	H	α-helix	trans	-59	-47.1	173.7	176.1	62.1	0	0	0	111.3	W98 H100 I166 N167 M172 K173 I174	W98-L170 VanDerWaalsContact CA-CD1 3.45Å; W98-L170 HydrophobicContact CB-CD1 3.93Å; W98-L170 HydrophobicContact CE3-CD1 3.98Å; H100-L170 HydrophobicContact CB-CD2 4.28Å; I166-L170 HydrophobicContact CG2-CD2 4.15Å; N167-L170 HydrophobicContact CB-CB 4.09Å; N167-L170 WeakPolarHBondContact O-CB 3.44Å; N167-L170 PolarHBondContact O-N 3.08Å; N167-L170 PolarHBondContact OD1-N 3.19Å; L170-M172 PolarHBondContact O-N 3.32Å; L170-K173 PolarHBondContact O-N 3.26Å; L170-I174 HydrophobicContact CD1-CD1 3.76Å; L170-I174 HydrophobicContact CD1-CG1 4.2Å; L170-I174 HydrophobicContact CG-CD1 3.83Å; L170-I174 VanDerWaalsContact O-CG1 3.32Å; L170-I174 WeakPolarHBondContact O-CG1 3.27Å; L170-I174 PolarHBondContact O-N 3.24Å
171	A	89	Confident	88.7	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-60.5	-44.1	179.2	0	0	0	0	0	112	L127 F157 A161 N167 A168 E169 I174 F175	L127-A171 HydrophobicContact CD2-CB 3.95Å; F157-A171 HydrophobicContact CD1-CB 4.49Å; F157-A171 HydrophobicContact CE1-CB 4.25Å; F157-A171 WeakPolarHBondContact CE1-O 3.5Å; A161-A171 HydrophobicContact CB-CB 3.34Å; N167-A171 PolarHBondContact O-N 3.41Å; A168-A171 PolarHBondContact O-N 2.72Å; E169-A171 PolarHBondContact O-N 2.94Å; A171-I174 PolarHBondContact O-N 2.79Å; A171-F175 WeakPolarHBondContact O-CB 3.39Å; A171-F175 PolarHBondContact O-N 3.14Å
172	M	90.3	Very high	88.4	Confident	50 Å²	50	57.9 Å²	57.9	25%	0.246	30%	0.302	C	S	.	.	H	α-helix	trans	-67.8	-36.9	179.3	-71	-52	-54.5	0	0	112.6	R154 A158 A168 E169 L170 F175 D176	R154-M172 HydrophobicContact CB-CE 4.13Å; R154-M172 HydrophobicContact CG-CE 4.04Å; A158-M172 HydrophobicContact CB-SD 3.91Å; A168-M172 WeakPolarHBondContact O-CB 3.43Å; A168-M172 VanDerWaalsContact O-CG 3.29Å; A168-M172 WeakPolarHBondContact O-CG 3.07Å; A168-M172 PolarHBondContact O-N 3.47Å; E169-M172 PolarHBondContact O-N 3.2Å; L170-M172 PolarHBondContact O-N 3.32Å; M172-F175 WeakPolarHBondContact O-CB 3.46Å; M172-F175 PolarHBondContact O-N 2.96Å; M172-D176 PolarHBondContact O-N 3.17Å
173	K	91.2	Very high	88	Confident	85 Å²	85	54.3 Å²	54.3	37%	0.37	30%	0.298	S	S	.	.	H	α-helix	trans	-68.7	-39.3	174.1	-69.7	-63.2	-176.5	-169.8	0	112.6	W98 E169 L170 F175 D176 L177	W98-K173 HydrophobicContact CB-CB 4.29Å; W98-K173 HydrophobicContact CD2-CB 3.6Å; W98-K173 HydrophobicContact CD2-CG 3.76Å; W98-K173 HydrophobicContact CE3-CB 3.83Å; W98-K173 HydrophobicContact CE3-CG 3.87Å; W98-K173 HydrophobicContact CG-CB 3.79Å; W98-K173 HydrophobicContact CG-CG 4.41Å; W98-K173 HydrophobicContact CH2-CG 3.99Å; W98-K173 HydrophobicContact CZ2-CD 4.37Å; W98-K173 HydrophobicContact CZ2-CG 3.91Å; W98-K173 HydrophobicContact CZ3-CB 4.43Å; W98-K173 HydrophobicContact CZ3-CG 3.97Å; E169-K173 WeakPolarHBondContact O-CG 3.44Å; E169-K173 PolarHBondContact O-N 3.02Å; L170-K173 PolarHBondContact O-N 3.26Å; K173-F175 VanDerWaalsContact C-N 3.3Å; K173-F175 PolarHBondContact O-N 3.13Å; K173-D176 PolarHBondContact O-N 3.4Å; K173-L177 PolarHBondContact O-N 2.81Å
174	I	89.9	Confident	87.7	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63	-40.5	172.1	-68.6	168	0	0	0	110.1	W98 L103 I123 L127 L170 A171 D176 L177 V178	W98-I174 HydrophobicContact CB-CG1 4.46Å; L103-I174 HydrophobicContact CD1-CD1 4Å; L103-I174 HydrophobicContact CD1-CG2 4.29Å; I123-I174 HydrophobicContact CG2-CG2 4.25Å; L127-I174 HydrophobicContact CD1-CD1 3.74Å; L127-I174 HydrophobicContact CD1-CG2 4.13Å; L170-I174 HydrophobicContact CD1-CD1 3.76Å; L170-I174 HydrophobicContact CD1-CG1 4.2Å; L170-I174 HydrophobicContact CG-CD1 3.83Å; L170-I174 VanDerWaalsContact O-CG1 3.32Å; L170-I174 WeakPolarHBondContact O-CG1 3.27Å; L170-I174 PolarHBondContact O-N 3.24Å; A171-I174 PolarHBondContact O-N 2.79Å; I174-D176 VanDerWaalsContact C-N 3.33Å; I174-D176 PolarHBondContact O-N 2.88Å; I174-L177 PolarHBondContact O-N 2.8Å; I174-V178 HydrophobicContact CG2-CG2 4.09Å; I174-V178 WeakPolarHBondContact O-CB 3.29Å; I174-V178 VanDerWaalsContact O-CG2 3.23Å; I174-V178 WeakPolarHBondContact O-CG2 3.46Å; I174-V178 PolarHBondContact O-N 3.45Å
175	F	91.2	Very high	87.6	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-58.7	-44.4	174.8	-172.6	-80.7	0	0	0	111.8	L138 M142 M150 R154 F157 A171 M172 K173 L177 V178 E179	L138-F175 HydrophobicContact CD1-CE2 3.99Å; L138-F175 HydrophobicContact CD1-CZ 4.32Å; M142-F175 HydrophobicContact CE-CD2 4.24Å; M142-F175 HydrophobicContact CE-CE1 4.15Å; M142-F175 HydrophobicContact CE-CE2 3.74Å; M142-F175 HydrophobicContact CE-CZ 3.69Å; M150-F175 HydrophobicContact CE-CE1 3.61Å; M150-F175 HydrophobicContact CE-CZ 3.61Å; R154-F175 HydrophobicContact CB-CZ 4.49Å; R154-F175 HydrophobicContact CG-CD1 3.71Å; R154-F175 HydrophobicContact CG-CE1 3.26Å; R154-F175 HydrophobicContact CG-CE2 4.19Å; R154-F175 HydrophobicContact CG-CG 4.36Å; R154-F175 HydrophobicContact CG-CZ 3.53Å; F157-F175 HydrophobicContact CB-CD2 3.81Å; F157-F175 HydrophobicContact CB-CE2 4.07Å; F157-F175 HydrophobicContact CD1-CB 4.05Å; F157-F175 AromaticContact CD1-CD2 3.8Å; F157-F175 HydrophobicContact CD1-CD2 3.8Å; F157-F175 HydrophobicContact CD1-CG 4.39Å; F157-F175 AromaticContact CD2-CD2 3.79Å; F157-F175 HydrophobicContact CD2-CD2 3.79Å; F157-F175 HydrophobicContact CD2-CE2 4.28Å; F157-F175 HydrophobicContact CE1-CB 4.06Å; F157-F175 HydrophobicContact CE1-CD2 4.28Å; F157-F175 HydrophobicContact CE2-CD2 4.27Å; F157-F175 AromaticContact CG-CD2 3.53Å; F157-F175 HydrophobicContact CG-CD2 3.53Å; F157-F175 HydrophobicContact CG-CE2 4.16Å; A171-F175 WeakPolarHBondContact O-CB 3.39Å; A171-F175 PolarHBondContact O-N 3.14Å; M172-F175 WeakPolarHBondContact O-CB 3.46Å; M172-F175 PolarHBondContact O-N 2.96Å; K173-F175 VanDerWaalsContact C-N 3.3Å; K173-F175 PolarHBondContact O-N 3.13Å; F175-L177 VanDerWaalsContact C-N 3.33Å; F175-L177 PolarHBondContact O-N 2.69Å; F175-V178 PolarHBondContact O-N 2.95Å; F175-E179 HydrophobicContact CE1-CB 4.45Å; F175-E179 WeakPolarHBondContact O-CB 3.4Å; F175-E179 PolarHBondContact O-N 3.36Å
176	D	90.3	Very high	87.7	Confident	55 Å²	55	45.7 Å²	45.7	29%	0.294	24%	0.238	S	C	.	.	H	α-helix	trans	-61.2	-40.5	176.7	-67.8	-26.5	0	0	0	111.7	R154 M172 K173 I174 K180	R154-D176 IonicContact CZ-OD1 3.19Å; R154-D176 IonicContact NH1-OD1 2.86Å; R154-D176 PolarHBondContact NH1-OD1 3.2Å; R154-D176 IonicContact NH2-OD1 2.71Å; R154-D176 PolarHBondContact NH2-OD1 2.83Å; M172-D176 PolarHBondContact O-N 3.17Å; K173-D176 PolarHBondContact O-N 3.4Å; I174-D176 VanDerWaalsContact C-N 3.33Å; I174-D176 PolarHBondContact O-N 2.88Å; D176-K180 WeakPolarHBondContact O-CB 3.32Å; D176-K180 PolarHBondContact O-N 2.86Å
177	L	88.6	Confident	88	Confident	36 Å²	36	47.2 Å²	47.2	19%	0.188	25%	0.246	C	C	.	.	H	α-helix	trans	-65.9	-46.1	174.9	-69	174.9	0	0	0	111.5	P94 D95 K173 I174 F175 E179 K180 F181	P94-L177 HydrophobicContact CG-CD1 3.85Å; D95-L177 HydrophobicContact CB-CD1 3.9Å; K173-L177 PolarHBondContact O-N 2.81Å; I174-L177 PolarHBondContact O-N 2.8Å; F175-L177 VanDerWaalsContact C-N 3.33Å; F175-L177 PolarHBondContact O-N 2.69Å; L177-E179 VanDerWaalsContact C-N 3.33Å; L177-E179 PolarHBondContact O-N 3.32Å; L177-K180 WeakPolarHBondContact O-CB 3.48Å; L177-K180 PolarHBondContact O-N 3.44Å; L177-F181 HydrophobicContact CB-CD2 4.4Å; L177-F181 HydrophobicContact CB-CE2 4.42Å; L177-F181 HydrophobicContact CD2-CE2 4.41Å; L177-F181 WeakPolarHBondContact O-CD2 3.4Å; L177-F181 PolarHBondContact O-N 2.92Å
178	V	89.3	Confident	88.3	Confident	3 Å²	3	44.6 Å²	44.6	2%	0.018	23%	0.23	C	C	.	.	H	α-helix	trans	-59.7	-44.2	176.6	173	0	0	0	0	110.4	I114 V120 I123 M142 I174 F175 K180 F181 A182	I114-V178 HydrophobicContact CD1-CG2 3.82Å; V120-V178 HydrophobicContact CB-CG1 4.24Å; V120-V178 HydrophobicContact CG1-CG1 3.54Å; V120-V178 HydrophobicContact CG2-CG1 4.04Å; I123-V178 HydrophobicContact CD1-CG2 4.04Å; I123-V178 HydrophobicContact CG2-CG2 4.07Å; M142-V178 HydrophobicContact CE-CB 4.42Å; M142-V178 HydrophobicContact CE-CG1 3.73Å; M142-V178 HydrophobicContact SD-CG1 3.88Å; I174-V178 HydrophobicContact CG2-CG2 4.09Å; I174-V178 WeakPolarHBondContact O-CB 3.29Å; I174-V178 VanDerWaalsContact O-CG2 3.23Å; I174-V178 WeakPolarHBondContact O-CG2 3.46Å; I174-V178 PolarHBondContact O-N 3.45Å; F175-V178 PolarHBondContact O-N 2.95Å; V178-K180 PolarHBondContact O-N 2.8Å; V178-F181 PolarHBondContact O-N 2.73Å; V178-A182 WeakPolarHBondContact O-CB 3.22Å; V178-A182 PolarHBondContact O-N 3.17Å
179	E	88.6	Confident	88.7	Confident	58 Å²	58	47 Å²	47	27%	0.271	25%	0.245	S	C	.	.	H	α-helix	trans	-61.3	-43.4	176.6	-178.4	176	-179.8	0	0	111.6	M142 M150 R154 F175 L177	M142-E179 HydrophobicContact CE-CB 4.4Å; M150-E179 HydrophobicContact CE-CB 4.5Å; M150-E179 VanDerWaalsContact CE-CD 3.45Å; M150-E179 HydrophobicContact CE-CG 3.91Å; R154-E179 IonicContact CZ-OE2 3.63Å; R154-E179 IonicContact NE-OE2 3.74Å; R154-E179 IonicContact NH2-OE2 2.72Å; R154-E179 PolarHBondContact NH2-OE2 2.68Å; F175-E179 HydrophobicContact CE1-CB 4.45Å; F175-E179 WeakPolarHBondContact O-CB 3.4Å; F175-E179 PolarHBondContact O-N 3.36Å; L177-E179 VanDerWaalsContact C-N 3.33Å; L177-E179 PolarHBondContact O-N 3.32Å
180	K	86.2	Confident	89	Confident	138 Å²	138	45.1 Å²	45.1	60%	0.6	24%	0.236	S	C	*	.	H	α-helix	trans	-60.7	-46	175.7	-177.1	-176.8	177.9	-174.4	0	111.6	D176 L177 V178	D176-K180 WeakPolarHBondContact O-CB 3.32Å; D176-K180 PolarHBondContact O-N 2.86Å; L177-K180 WeakPolarHBondContact O-CB 3.48Å; L177-K180 PolarHBondContact O-N 3.44Å; V178-K180 PolarHBondContact O-N 2.8Å
181	F	83.1	Confident	89.2	Confident	35 Å²	35	44 Å²	44	15%	0.154	23%	0.23	C	C	.	.	H	α-helix	trans	-79.7	-27.1	-177.2	-70.7	-58.1	0	0	0	113.7	M77 I114 L177 V178 G183 Y184 G185	M77-F181 HydrophobicContact CE-CD1 3.09Å; M77-F181 HydrophobicContact CE-CE1 3.37Å; M77-F181 HydrophobicContact CE-CG 4.15Å; I114-F181 HydrophobicContact CB-CB 4.04Å; I114-F181 HydrophobicContact CB-CD2 4.04Å; I114-F181 HydrophobicContact CB-CG 4.19Å; I114-F181 HydrophobicContact CD1-CD2 3.98Å; I114-F181 HydrophobicContact CG1-CD2 4.44Å; I114-F181 HydrophobicContact CG2-CB 3.99Å; L177-F181 HydrophobicContact CB-CD2 4.4Å; L177-F181 HydrophobicContact CB-CE2 4.42Å; L177-F181 HydrophobicContact CD2-CE2 4.41Å; L177-F181 WeakPolarHBondContact O-CD2 3.4Å; L177-F181 PolarHBondContact O-N 2.92Å; V178-F181 PolarHBondContact O-N 2.73Å; F181-G183 PolarHBondContact O-N 3.33Å; F181-G183 VanDerWaalsContact O-N 3.12Å; F181-Y184 CarbonylContact O-C 3.51Å; F181-Y184 WeakPolarHBondContact O-CA 3.45Å; F181-Y184 PolarHBondContact O-N 3.08Å; F181-G185 PolarHBondContact O-N 2.93Å
182	A	83.4	Confident	89.4	Confident	21 Å²	21	45.3 Å²	45.3	17%	0.174	24%	0.241	C	C	.	.	H	α-helix	trans	-60	-24.2	175	0	0	0	0	0	112.3	M142 V178 Y184	M142-A182 HydrophobicContact CB-CB 3.92Å; M142-A182 HydrophobicContact CG-CB 4.41Å; M142-A182 HydrophobicContact SD-CB 3.72Å; V178-A182 WeakPolarHBondContact O-CB 3.22Å; V178-A182 PolarHBondContact O-N 3.17Å; A182-Y184 PolarHBondContact O-N 3.01Å
183	G	81.1	Confident	89.6	Confident	48 Å²	48	45.5 Å²	45.5	50%	0.495	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-22.8	170.6	0	0	0	0	0	114.4	F181	F181-G183 PolarHBondContact O-N 3.33Å; F181-G183 VanDerWaalsContact O-N 3.12Å
184	Y	84.6	Confident	89.7	Confident	106 Å²	106	46 Å²	46	42%	0.416	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-4.4	179.5	-50.7	-59.8	0	0	0	113.4	F181 A182 F186	F181-Y184 CarbonylContact O-C 3.51Å; F181-Y184 WeakPolarHBondContact O-CA 3.45Å; F181-Y184 PolarHBondContact O-N 3.08Å; A182-Y184 PolarHBondContact O-N 3.01Å; Y184-F186 PolarHBondContact O-N 2.97Å
185	G	85.4	Confident	89.9	Confident	12 Å²	12	46 Å²	46	12%	0.124	25%	0.251	C	S	.	.			trans	-59.9	128.5	-175.3	0	0	0	0	0	112.4	L115 Q117 F181	L115-G185 WeakPolarHBondContact O-CA 3.41Å; Q117-G185 WeakPolarHBondContact CG-O 3.49Å; Q117-G185 PolarHBondContact NE2-O 3.05Å; F181-G185 PolarHBondContact O-N 2.93Å
186	F	91.5	Very high	90.1	Very high	20 Å²	20	49 Å²	49	9%	0.088	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-101.7	152.9	-177.7	-163.5	-124.9	0	0	0	112.9	A66 L115 Y116 Q117 Y184 K188 H190	A66-F186 HydrophobicContact CB-CB 3.8Å; A66-F186 HydrophobicContact CB-CD1 3.72Å; A66-F186 HydrophobicContact CB-CG 4.12Å; L115-F186 PolarHBondContact O-N 2.74Å; Y116-F186 CarbonylContact C-O 3.52Å; Y116-F186 VanDerWaalsContact CA-O 3.24Å; Y116-F186 WeakPolarHBondContact CA-O 3.41Å; Q117-F186 PolarHBondContact N-O 2.7Å; Y184-F186 PolarHBondContact O-N 2.97Å; F186-K188 PolarHBondContact O-N 2.92Å; F186-H190 AromaticContact CZ-CD2 3.75Å
187	N	93.2	Very high	90.3	Very high	41 Å²	41	49.2 Å²	49.2	22%	0.219	27%	0.27	C	S	.	.			trans	-76.8	112	178.3	-176.6	-80.6	0	0	0	109.8	E118 S189 H190 S191	E118-N187 PolarHBondContact OE1-ND2 2.91Å; N187-S189 VanDerWaalsContact C-N 3.34Å; N187-S189 PolarHBondContact O-N 2.84Å; N187-S189 PolarHBondContact OD1-N 2.78Å; N187-S189 PolarHBondContact OD1-OG 3.18Å; N187-H190 HydrophobicContact CB-CB 4.26Å; N187-H190 PolarHBondContact O-N 2.85Å; N187-H190 PolarHBondContact OD1-N 3.39Å; N187-S191 PolarHBondContact O-N 2.76Å
188	K	93.8	Very high	90.6	Very high	47 Å²	47	47.5 Å²	47.5	20%	0.204	26%	0.261	C	S	.	.	H	α-helix	trans	-62.3	-41	-176.8	-166.5	175	-176.2	177.2	0	111.1	E59 I62 Y116 E118 F186 H190 S191 A192	E59-K188 IonicContact OE1-NZ 2.68Å; E59-K188 PolarHBondContact OE1-NZ 2.95Å; E59-K188 WeakPolarHBondContact OE2-CE 3.37Å; E59-K188 IonicContact OE2-NZ 2.97Å; E59-K188 PolarHBondContact OE2-NZ 3.24Å; I62-K188 HydrophobicContact CG2-CG 4.23Å; Y116-K188 HydrophobicContact CD1-CB 3.69Å; Y116-K188 HydrophobicContact CD1-CG 3.94Å; Y116-K188 HydrophobicContact CD2-CB 4.26Å; Y116-K188 HydrophobicContact CD2-CD 3.68Å; Y116-K188 HydrophobicContact CD2-CG 4Å; Y116-K188 HydrophobicContact CE1-CB 4.24Å; Y116-K188 HydrophobicContact CE1-CG 4.03Å; Y116-K188 HydrophobicContact CE2-CD 3.81Å; Y116-K188 HydrophobicContact CE2-CG 4.07Å; Y116-K188 HydrophobicContact CG-CB 3.71Å; Y116-K188 HydrophobicContact CG-CD 4.07Å; Y116-K188 HydrophobicContact CG-CG 3.93Å; E118-K188 VanDerWaalsContact CD-N 3.26Å; E118-K188 HydrophobicContact CG-CB 4.33Å; E118-K188 PolarHBondContact OE1-N 3.33Å; E118-K188 VanDerWaalsContact OE1-N 3.09Å; E118-K188 WeakPolarHBondContact OE2-CB 3.46Å; E118-K188 PolarHBondContact OE2-N 2.85Å; F186-K188 PolarHBondContact O-N 2.92Å; K188-H190 VanDerWaalsContact C-N 3.33Å; K188-H190 PolarHBondContact O-N 3.47Å; K188-S191 PolarHBondContact O-N 2.65Å; K188-A192 VanDerWaalsContact O-CB 3.26Å; K188-A192 WeakPolarHBondContact O-CB 3.47Å; K188-A192 PolarHBondContact O-N 3.04Å
189	S	94.7	Very high	90.9	Very high	81 Å²	81	47.4 Å²	47.4	57%	0.566	26%	0.26	S	S	*	.	H	α-helix	trans	-61.5	-41	-178	72.5	0	0	0	0	112.8	E118 N187 A193	E118-S189 PolarHBondContact OE1-N 2.86Å; N187-S189 VanDerWaalsContact C-N 3.34Å; N187-S189 PolarHBondContact O-N 2.84Å; N187-S189 PolarHBondContact OD1-N 2.78Å; N187-S189 PolarHBondContact OD1-OG 3.18Å; S189-A193 WeakPolarHBondContact O-CB 3.2Å; S189-A193 PolarHBondContact O-N 2.81Å
190	H	93.6	Very high	91.2	Very high	88 Å²	88	46.6 Å²	46.6	41%	0.407	26%	0.256	S	S	.	.	H	α-helix	trans	-68.1	-46.4	174.1	-173.6	97.4	0	0	0	111.3	F186 N187 K188 A192 A193 Y194	F186-H190 AromaticContact CZ-CD2 3.75Å; N187-H190 HydrophobicContact CB-CB 4.26Å; N187-H190 PolarHBondContact O-N 2.85Å; N187-H190 PolarHBondContact OD1-N 3.39Å; K188-H190 VanDerWaalsContact C-N 3.33Å; K188-H190 PolarHBondContact O-N 3.47Å; H190-A192 VanDerWaalsContact C-N 3.32Å; H190-A192 PolarHBondContact O-N 2.69Å; H190-A193 PolarHBondContact O-N 2.95Å; H190-Y194 AromaticContact CD2-CD2 3.92Å; H190-Y194 AromaticContact CE1-CD2 3.96Å; H190-Y194 AromaticContact CE1-CE2 3.35Å; H190-Y194 WeakPolarHBondContact CE1-CE2 3.14Å; H190-Y194 AromaticContact CE1-CZ 3.96Å; H190-Y194 AromaticContact ND1-CE2 3.9Å; H190-Y194 AromaticContact NE2-CD2 3.72Å; H190-Y194 AromaticContact NE2-CE2 3.5Å; H190-Y194 WeakPolarHBondContact NE2-CE2 3.15Å; H190-Y194 VanDerWaalsContact O-CD2 3.32Å; H190-Y194 WeakPolarHBondContact O-CD2 3.39Å; H190-Y194 PolarHBondContact O-N 2.95Å
191	S	93.3	Very high	91.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-58.9	-43.5	178.2	-147.6	0	0	0	0	111.9	I62 N187 K188 Y194 A195	I62-S191 PolarHBondContact O-OG 3.26Å; N187-S191 PolarHBondContact O-N 2.76Å; K188-S191 PolarHBondContact O-N 2.65Å; S191-Y194 PolarHBondContact O-N 2.77Å; S191-A195 WeakPolarHBondContact O-CB 3.3Å; S191-A195 PolarHBondContact O-N 2.69Å
192	A	94	Very high	92.2	Very high	27 Å²	27	39.4 Å²	39.4	22%	0.223	23%	0.227	C	C	.	.	H	α-helix	trans	-67	-42.1	-178.4	0	0	0	0	0	112.4	I62 K188 H190 Y194 A195 L196	I62-A192 HydrophobicContact CD1-CB 3.94Å; I62-A192 HydrophobicContact CG1-CB 4.33Å; I62-A192 HydrophobicContact CG2-CB 4.21Å; K188-A192 VanDerWaalsContact O-CB 3.26Å; K188-A192 WeakPolarHBondContact O-CB 3.47Å; K188-A192 PolarHBondContact O-N 3.04Å; H190-A192 VanDerWaalsContact C-N 3.32Å; H190-A192 PolarHBondContact O-N 2.69Å; A192-Y194 PolarHBondContact O-N 2.85Å; A192-A195 PolarHBondContact O-N 2.94Å; A192-L196 WeakPolarHBondContact O-CB 3.44Å; A192-L196 PolarHBondContact O-N 3.47Å
193	A	94.8	Very high	92.8	Very high	55 Å²	55	39.3 Å²	39.3	46%	0.455	22%	0.222	S	C	.	.	H	α-helix	trans	-62.6	-42.1	177.3	0	0	0	0	0	112.2	S189 H190 V197	S189-A193 WeakPolarHBondContact O-CB 3.2Å; S189-A193 PolarHBondContact O-N 2.81Å; H190-A193 PolarHBondContact O-N 2.95Å; A193-V197 PolarHBondContact O-N 3.42Å
194	Y	93.8	Very high	93.5	Very high	94 Å²	94	38.8 Å²	38.8	37%	0.369	21%	0.208	S	C	.	.	H	α-helix	trans	-74.8	-37.9	177.5	-80.9	-105.4	0	0	0	112.2	F39 Q40 H190 S191 A192 L196 V197 S198	F39-Y194 AromaticContact CE1-CD1 3.5Å; F39-Y194 HydrophobicContact CE1-CD1 3.5Å; F39-Y194 VanDerWaalsContact CE1-CD1 3.5Å; F39-Y194 HydrophobicContact CE1-CE1 4.16Å; F39-Y194 HydrophobicContact CE1-CG 4.38Å; F39-Y194 AromaticContact CZ-CD1 3.7Å; F39-Y194 HydrophobicContact CZ-CD1 3.7Å; F39-Y194 AromaticContact CZ-CE1 3.92Å; F39-Y194 HydrophobicContact CZ-CE1 3.92Å; Q40-Y194 VanDerWaalsContact NE2-CD1 3.26Å; H190-Y194 AromaticContact CD2-CD2 3.92Å; H190-Y194 AromaticContact CE1-CD2 3.96Å; H190-Y194 AromaticContact CE1-CE2 3.35Å; H190-Y194 WeakPolarHBondContact CE1-CE2 3.14Å; H190-Y194 AromaticContact CE1-CZ 3.96Å; H190-Y194 AromaticContact ND1-CE2 3.9Å; H190-Y194 AromaticContact NE2-CD2 3.72Å; H190-Y194 AromaticContact NE2-CE2 3.5Å; H190-Y194 WeakPolarHBondContact NE2-CE2 3.15Å; H190-Y194 VanDerWaalsContact O-CD2 3.32Å; H190-Y194 WeakPolarHBondContact O-CD2 3.39Å; H190-Y194 PolarHBondContact O-N 2.95Å; S191-Y194 PolarHBondContact O-N 2.77Å; A192-Y194 PolarHBondContact O-N 2.85Å; Y194-L196 PolarHBondContact O-N 3.01Å; Y194-V197 WeakPolarHBondContact O-CB 3.46Å; Y194-V197 PolarHBondContact O-N 3.22Å; Y194-V197 VanDerWaalsContact O-N 3.09Å; Y194-S198 PolarHBondContact O-N 3.42Å; Y194-S198 PolarHBondContact O-OG 2.87Å
195	A	93.8	Very high	94	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.7	-32.9	173.8	0	0	0	0	0	112.1	F58 M61 I62 S191 A192 S198 Y199	F58-A195 HydrophobicContact CE2-CB 4.47Å; F58-A195 HydrophobicContact CZ-CB 4.34Å; M61-A195 HydrophobicContact CB-CB 4.3Å; I62-A195 HydrophobicContact CB-CB 4.46Å; I62-A195 HydrophobicContact CG1-CB 3.97Å; S191-A195 WeakPolarHBondContact O-CB 3.3Å; S191-A195 PolarHBondContact O-N 2.69Å; A192-A195 PolarHBondContact O-N 2.94Å; A195-S198 WeakPolarHBondContact O-CB 3.49Å; A195-S198 PolarHBondContact O-N 2.73Å; A195-Y199 WeakPolarHBondContact O-CB 3.37Å; A195-Y199 PolarHBondContact O-N 3.21Å
196	L	94.8	Very high	94.4	Very high	65 Å²	65	34.1 Å²	34.1	34%	0.34	19%	0.19	S	C	.	.	H	α-helix	trans	-61.4	-44.8	172	-178.6	61.1	0	0	0	111.3	L21 F58 A192 Y194 S198 Y199 Q200	L21-L196 HydrophobicContact CD2-CD1 4.13Å; F58-L196 HydrophobicContact CE2-CD1 4.47Å; F58-L196 HydrophobicContact CZ-CB 4.04Å; F58-L196 HydrophobicContact CZ-CD1 4.32Å; A192-L196 WeakPolarHBondContact O-CB 3.44Å; A192-L196 PolarHBondContact O-N 3.47Å; Y194-L196 PolarHBondContact O-N 3.01Å; L196-S198 VanDerWaalsContact C-N 3.35Å; L196-Y199 PolarHBondContact O-N 3.44Å; L196-Q200 HydrophobicContact CD1-CG 4.45Å; L196-Q200 VanDerWaalsContact O-CG 3.26Å; L196-Q200 WeakPolarHBondContact O-CG 3.43Å; L196-Q200 PolarHBondContact O-N 3.07Å
197	V	95.1	Very high	94.4	Very high	58 Å²	58	35.8 Å²	35.8	35%	0.352	20%	0.198	S	C	.	.	H	α-helix	trans	-63	-43.3	175.2	-178.4	0	0	0	0	110.6	F39 A193 Y194 Y199 Q200 T201	F39-V197 HydrophobicContact CB-CG1 4.38Å; F39-V197 HydrophobicContact CD1-CB 3.83Å; F39-V197 HydrophobicContact CD1-CG1 3.58Å; F39-V197 HydrophobicContact CE1-CB 4.08Å; F39-V197 HydrophobicContact CE1-CG1 3.98Å; F39-V197 HydrophobicContact CG-CG1 4.07Å; A193-V197 PolarHBondContact O-N 3.42Å; Y194-V197 WeakPolarHBondContact O-CB 3.46Å; Y194-V197 PolarHBondContact O-N 3.22Å; Y194-V197 VanDerWaalsContact O-N 3.09Å; V197-Y199 VanDerWaalsContact C-N 3.31Å; V197-Y199 PolarHBondContact O-N 2.89Å; V197-Q200 PolarHBondContact O-N 3.12Å; V197-T201 WeakPolarHBondContact O-CG2 3.4Å; V197-T201 PolarHBondContact O-N 3.45Å; V197-T201 PolarHBondContact O-OG1 2.91Å
198	S	94.6	Very high	94.4	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.007	19%	0.193	C	C	.	.	H	α-helix	trans	-56.8	-45.3	173.7	-57.6	0	0	0	0	111.5	F39 Y194 A195 L196 T201 L202	F39-S198 WeakPolarHBondContact O-CB 3.45Å; F39-S198 PolarHBondContact O-OG 3.3Å; Y194-S198 PolarHBondContact O-N 3.42Å; Y194-S198 PolarHBondContact O-OG 2.87Å; A195-S198 WeakPolarHBondContact O-CB 3.49Å; A195-S198 PolarHBondContact O-N 2.73Å; L196-S198 VanDerWaalsContact C-N 3.35Å; S198-T201 PolarHBondContact O-N 3.41Å; S198-T201 PolarHBondContact O-OG1 3.21Å; S198-L202 WeakPolarHBondContact O-CB 3.41Å; S198-L202 PolarHBondContact O-N 2.94Å
199	Y	95.5	Very high	94.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.1	-42.2	177.7	-174.7	-104.7	0	0	0	112.5	I19 P20 L21 D23 F27 F58 M61 A195 L196 V197 T201 L202 W203	I19-Y199 HydrophobicContact CD1-CD1 3.88Å; I19-Y199 HydrophobicContact CD1-CE1 3.85Å; I19-Y199 HydrophobicContact CG1-CE1 4.28Å; P20-Y199 WeakPolarHBondContact O-CE1 3.39Å; P20-Y199 PolarHBondContact O-OH 3.37Å; L21-Y199 VanDerWaalsContact C-OH 3.25Å; L21-Y199 HydrophobicContact CD2-CD1 4.04Å; L21-Y199 HydrophobicContact CD2-CE1 4.01Å; D23-Y199 VanDerWaalsContact CB-OH 3.28Å; D23-Y199 WeakPolarHBondContact CB-OH 3.32Å; D23-Y199 PolarHBondContact N-OH 3.41Å; F27-Y199 HydrophobicContact CE1-CE2 4.48Å; F27-Y199 AromaticContact CE2-CE2 3.81Å; F27-Y199 HydrophobicContact CE2-CE2 3.81Å; F27-Y199 HydrophobicContact CZ-CD2 4.3Å; F27-Y199 AromaticContact CZ-CE2 3.72Å; F27-Y199 HydrophobicContact CZ-CE2 3.72Å; F58-Y199 HydrophobicContact CD2-CD2 4.25Å; F58-Y199 HydrophobicContact CD2-CG 4.02Å; F58-Y199 HydrophobicContact CE2-CG 4.15Å; M61-Y199 HydrophobicContact CE-CD2 4.43Å; M61-Y199 HydrophobicContact SD-CD2 3.59Å; M61-Y199 VanDerWaalsContact SD-CD2 3.59Å; M61-Y199 HydrophobicContact SD-CG 4.28Å; A195-Y199 WeakPolarHBondContact O-CB 3.37Å; A195-Y199 PolarHBondContact O-N 3.21Å; L196-Y199 PolarHBondContact O-N 3.44Å; V197-Y199 VanDerWaalsContact C-N 3.31Å; V197-Y199 PolarHBondContact O-N 2.89Å; Y199-T201 VanDerWaalsContact C-N 3.35Å; Y199-T201 PolarHBondContact O-N 3.21Å; Y199-L202 HydrophobicContact CD2-CD2 4.49Å; Y199-L202 WeakPolarHBondContact O-CB 3.42Å; Y199-L202 PolarHBondContact O-N 2.67Å; Y199-W203 WeakPolarHBondContact O-CB 3.18Å; Y199-W203 PolarHBondContact O-N 3.47Å
200	Q	95.6	Very high	94.3	Very high	41 Å²	41	31.3 Å²	31.3	19%	0.192	17%	0.171	C	C	.	.	H	α-helix	trans	-61.2	-42.9	175.1	-71.7	175.1	-20.5	0	0	111.7	I16 I19 L196 V197 W203 L204	I16-Q200 HydrophobicContact CD1-CB 4.1Å; I16-Q200 HydrophobicContact CD1-CG 4.22Å; I16-Q200 HydrophobicContact CG1-CB 3.86Å; I16-Q200 HydrophobicContact CG1-CG 3.73Å; I19-Q200 HydrophobicContact CD1-CG 3.94Å; L196-Q200 HydrophobicContact CD1-CG 4.45Å; L196-Q200 VanDerWaalsContact O-CG 3.26Å; L196-Q200 WeakPolarHBondContact O-CG 3.43Å; L196-Q200 PolarHBondContact O-N 3.07Å; V197-Q200 PolarHBondContact O-N 3.12Å; Q200-W203 PolarHBondContact O-N 2.88Å; Q200-L204 WeakPolarHBondContact O-CB 3.31Å; Q200-L204 VanDerWaalsContact O-CG 3.26Å; Q200-L204 WeakPolarHBondContact O-CG 3.43Å; Q200-L204 PolarHBondContact O-N 3.46Å
201	T	95.3	Very high	94.3	Very high	23 Å²	23	27.5 Å²	27.5	14%	0.141	15%	0.153	C	C	.	.	H	α-helix	trans	-65.7	-40.1	175.8	59.2	0	0	0	0	112.3	F39 V197 S198 Y199 K205 F212	F39-T201 HydrophobicContact CB-CG2 4.12Å; F39-T201 PolarHBondContact N-OG1 3.46Å; V197-T201 WeakPolarHBondContact O-CG2 3.4Å; V197-T201 PolarHBondContact O-N 3.45Å; V197-T201 PolarHBondContact O-OG1 2.91Å; S198-T201 PolarHBondContact O-N 3.41Å; S198-T201 PolarHBondContact O-OG1 3.21Å; Y199-T201 VanDerWaalsContact C-N 3.35Å; Y199-T201 PolarHBondContact O-N 3.21Å; T201-K205 WeakPolarHBondContact O-CB 3.39Å; T201-K205 PolarHBondContact O-N 2.93Å; T201-F212 HydrophobicContact CG2-CE2 4.23Å; T201-F212 WeakPolarHBondContact O-CE2 3.24Å
202	L	95.4	Very high	94.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.1	-45.6	175.3	178	67.3	0	0	0	111.7	S26 M29 L30 V38 M61 S198 Y199 K205 A206	S26-L202 WeakPolarHBondContact O-CD2 3.47Å; M29-L202 HydrophobicContact CB-CD1 4.16Å; M29-L202 HydrophobicContact CG-CD1 4.02Å; M29-L202 HydrophobicContact SD-CD1 4.06Å; L30-L202 HydrophobicContact CB-CD1 4.31Å; L30-L202 HydrophobicContact CB-CD2 3.88Å; L30-L202 HydrophobicContact CD2-CD2 4.16Å; L30-L202 HydrophobicContact CG-CD2 4.42Å; V38-L202 HydrophobicContact CG1-CB 4.11Å; V38-L202 HydrophobicContact CG2-CD1 4.28Å; M61-L202 HydrophobicContact CE-CD2 4.32Å; M61-L202 HydrophobicContact SD-CD2 4.33Å; S198-L202 WeakPolarHBondContact O-CB 3.41Å; S198-L202 PolarHBondContact O-N 2.94Å; Y199-L202 HydrophobicContact CD2-CD2 4.49Å; Y199-L202 WeakPolarHBondContact O-CB 3.42Å; Y199-L202 PolarHBondContact O-N 2.67Å; L202-K205 PolarHBondContact O-N 2.9Å; L202-A206 WeakPolarHBondContact O-CB 3.39Å; L202-A206 PolarHBondContact O-N 3.42Å
203	W	95.9	Very high	94.3	Very high	19 Å²	19	27 Å²	27	7%	0.072	15%	0.146	C	C	.	.	H	α-helix	trans	-62.9	-45.4	178.8	-172.2	97.7	0	0	0	111.4	L14 I16 I19 S26 Y199 Q200 K205 A206 H207 Y208	L14-W203 HydrophobicContact CD1-CH2 3.58Å; L14-W203 HydrophobicContact CD1-CZ3 3.88Å; L14-W203 HydrophobicContact CD2-CH2 4.13Å; L14-W203 HydrophobicContact CD2-CZ3 3.57Å; L14-W203 HydrophobicContact CG-CZ3 4.35Å; I16-W203 HydrophobicContact CD1-CE3 4.26Å; I19-W203 HydrophobicContact CB-CD2 4.36Å; I19-W203 HydrophobicContact CB-CG 4.48Å; I19-W203 HydrophobicContact CD1-CB 3.95Å; I19-W203 HydrophobicContact CD1-CD2 4.35Å; I19-W203 HydrophobicContact CD1-CG 3.91Å; I19-W203 HydrophobicContact CG2-CD2 3.9Å; I19-W203 HydrophobicContact CG2-CE3 4.1Å; I19-W203 HydrophobicContact CG2-CG 4.47Å; I19-W203 HydrophobicContact CG2-CH2 4.31Å; I19-W203 HydrophobicContact CG2-CZ2 4.08Å; I19-W203 HydrophobicContact CG2-CZ3 4.32Å; S26-W203 WeakPolarHBondContact OG-CA 3.45Å; Y199-W203 WeakPolarHBondContact O-CB 3.18Å; Y199-W203 PolarHBondContact O-N 3.47Å; Q200-W203 PolarHBondContact O-N 2.88Å; W203-K205 VanDerWaalsContact C-N 3.31Å; W203-K205 PolarHBondContact O-N 3.03Å; W203-A206 PolarHBondContact O-N 3.35Å; W203-H207 AromaticContact CD1-CD2 3.79Å; W203-H207 AromaticContact CD1-NE2 3.89Å; W203-H207 AromaticContact CD2-CD2 3.67Å; W203-H207 AromaticContact CE2-CD2 3.38Å; W203-H207 AromaticContact CE2-NE2 3.73Å; W203-H207 AromaticContact CG-CD2 3.92Å; W203-H207 HydrophobicContact CH2-CB 4.22Å; W203-H207 HydrophobicContact CZ2-CB 4.43Å; W203-H207 AromaticContact CZ2-CD2 3.79Å; W203-H207 AromaticContact CZ2-CG 3.99Å; W203-H207 HydrophobicContact CZ3-CB 4.26Å; W203-H207 AromaticContact NE1-CD2 3.47Å; W203-H207 PolarHBondContact NE1-CD2 3.23Å; W203-H207 AromaticContact NE1-NE2 3.41Å; W203-H207 PolarHBondContact NE1-NE2 3.18Å; W203-H207 PolarHBondContact O-CD2 3.02Å; W203-H207 PolarHBondContact O-N 3.42Å; W203-Y208 HydrophobicContact CH2-CE2 4.04Å; W203-Y208 HydrophobicContact CZ3-CD2 4.12Å; W203-Y208 HydrophobicContact CZ3-CE2 4.02Å
204	L	95.1	Very high	94.3	Very high	36 Å²	36	24.3 Å²	24.3	19%	0.188	12%	0.124	C	C	.	.	H	α-helix	trans	-60.6	-41.9	175.8	-73.5	168.6	0	0	0	111.4	I2 L14 I16 Q200 Y208 F212	I2-L204 HydrophobicContact CD1-CD2 3.59Å; L14-L204 HydrophobicContact CD2-CD2 3.89Å; I16-L204 HydrophobicContact CD1-CD1 4.02Å; I16-L204 HydrophobicContact CD1-CD2 3.98Å; I16-L204 HydrophobicContact CD1-CG 3.78Å; Q200-L204 WeakPolarHBondContact O-CB 3.31Å; Q200-L204 VanDerWaalsContact O-CG 3.26Å; Q200-L204 WeakPolarHBondContact O-CG 3.43Å; Q200-L204 PolarHBondContact O-N 3.46Å; L204-Y208 CarbonylContact O-C 3.5Å; L204-Y208 VanDerWaalsContact O-C 3.23Å; L204-Y208 WeakPolarHBondContact O-CA 3.3Å; L204-Y208 PolarHBondContact O-N 3.12Å; L204-F212 HydrophobicContact CB-CB 4.36Å; L204-F212 HydrophobicContact CB-CD2 3.52Å; L204-F212 HydrophobicContact CB-CE2 4.17Å; L204-F212 HydrophobicContact CB-CG 4.2Å; L204-F212 HydrophobicContact CD1-CD2 4.35Å
205	K	94.9	Very high	94.3	Very high	1 Å²	1	22.1 Å²	22.1	0%	0.004	13%	0.125	C	C	.	.	H	α-helix	trans	-65.6	-37.6	176	-168.2	178.5	-179.4	-178.4	0	112.6	M29 E34 T36 V38 T201 L202 W203 P209 F212 E233 M237	M29-K205 HydrophobicContact CE-CG 4.23Å; M29-K205 HydrophobicContact SD-CB 4.05Å; M29-K205 HydrophobicContact SD-CD 3.86Å; M29-K205 HydrophobicContact SD-CG 3.77Å; E34-K205 PolarHBondContact O-NZ 3.1Å; T36-K205 PolarHBondContact O-NZ 2.91Å; V38-K205 HydrophobicContact CG2-CD 4.05Å; T201-K205 WeakPolarHBondContact O-CB 3.39Å; T201-K205 PolarHBondContact O-N 2.93Å; L202-K205 PolarHBondContact O-N 2.9Å; W203-K205 VanDerWaalsContact C-N 3.31Å; W203-K205 PolarHBondContact O-N 3.03Å; K205-P209 WeakPolarHBondContact O-CA 3.37Å; K205-P209 WeakPolarHBondContact O-CB 3.48Å; K205-F212 HydrophobicContact CB-CD1 3.55Å; K205-F212 HydrophobicContact CB-CE1 3.74Å; K205-F212 HydrophobicContact CB-CG 4.05Å; K205-F212 HydrophobicContact CB-CZ 4.37Å; K205-F212 HydrophobicContact CD-CD1 4.25Å; K205-F212 HydrophobicContact CD-CE1 3.97Å; K205-F212 HydrophobicContact CG-CD1 3.72Å; K205-F212 HydrophobicContact CG-CE1 3.93Å; K205-E233 IonicContact NZ-OE1 2.64Å; K205-E233 PolarHBondContact NZ-OE1 2.93Å; K205-E233 IonicContact NZ-OE2 2.98Å; K205-E233 PolarHBondContact NZ-OE2 2.73Å; K205-M237 HydrophobicContact CG-CE 4.04Å
206	A	93.9	Very high	94.3	Very high	20 Å²	20	23.2 Å²	23.2	17%	0.165	13%	0.132	C	C	.	.	H	α-helix	trans	-73.1	-37.9	-178.9	0	0	0	0	0	113.3	K25 M29 L202 W203	K25-A206 HydrophobicContact CB-CB 4.42Å; M29-A206 HydrophobicContact CE-CB 4.22Å; M29-A206 HydrophobicContact SD-CB 4.19Å; L202-A206 WeakPolarHBondContact O-CB 3.39Å; L202-A206 PolarHBondContact O-N 3.42Å; W203-A206 PolarHBondContact O-N 3.35Å
207	H	92.3	Very high	94.2	Very high	54 Å²	54	20.1 Å²	20.1	25%	0.25	12%	0.116	C	C	.	.	H	α-helix	trans	-98.2	-32.8	-175.6	-71	-86.8	0	0	0	114.1	D23 W203 P209	D23-H207 VanDerWaalsContact CG-NE2 3.25Å; D23-H207 IonicContact OD1-CE1 3.79Å; D23-H207 PolarHBondContact OD1-CE1 2.96Å; D23-H207 IonicContact OD1-NE2 2.91Å; D23-H207 PolarHBondContact OD1-NE2 3.19Å; D23-H207 VanDerWaalsContact OD1-NE2 3.12Å; D23-H207 IonicContact OD2-CD2 3.48Å; D23-H207 IonicContact OD2-CE1 3.41Å; D23-H207 IonicContact OD2-NE2 3.08Å; D23-H207 PolarHBondContact OD2-NE2 3.17Å; W203-H207 AromaticContact CD1-CD2 3.79Å; W203-H207 AromaticContact CD1-NE2 3.89Å; W203-H207 AromaticContact CD2-CD2 3.67Å; W203-H207 AromaticContact CE2-CD2 3.38Å; W203-H207 AromaticContact CE2-NE2 3.73Å; W203-H207 AromaticContact CG-CD2 3.92Å; W203-H207 HydrophobicContact CH2-CB 4.22Å; W203-H207 HydrophobicContact CZ2-CB 4.43Å; W203-H207 AromaticContact CZ2-CD2 3.79Å; W203-H207 AromaticContact CZ2-CG 3.99Å; W203-H207 HydrophobicContact CZ3-CB 4.26Å; W203-H207 AromaticContact NE1-CD2 3.47Å; W203-H207 PolarHBondContact NE1-CD2 3.23Å; W203-H207 AromaticContact NE1-NE2 3.41Å; W203-H207 PolarHBondContact NE1-NE2 3.18Å; W203-H207 PolarHBondContact O-CD2 3.02Å; W203-H207 PolarHBondContact O-N 3.42Å; H207-P209 VanDerWaalsContact C-CD 3.44Å
208	Y	92.2	Very high	94	Very high	30 Å²	30	18.7 Å²	18.7	12%	0.118	11%	0.107	C	C	.	.			trans	-129.7	61.1	-179.5	-62.2	-74.6	0	0	0	111.1	I2 R6 L14 W203 L204 A210 E211 F212	I2-Y208 HydrophobicContact CD1-CD2 4Å; I2-Y208 HydrophobicContact CD1-CG 3.96Å; I2-Y208 HydrophobicContact CG1-CD1 4.43Å; I2-Y208 HydrophobicContact CG1-CD2 4.41Å; I2-Y208 HydrophobicContact CG1-CG 4.01Å; I2-Y208 HydrophobicContact CG2-CD1 4.1Å; I2-Y208 HydrophobicContact CG2-CD2 3.98Å; I2-Y208 HydrophobicContact CG2-CE1 4.1Å; I2-Y208 HydrophobicContact CG2-CE2 3.96Å; I2-Y208 HydrophobicContact CG2-CG 4.05Å; R6-Y208 VanDerWaalsContact CZ-OH 3.31Å; R6-Y208 PolarHBondContact NE-OH 3.17Å; R6-Y208 PolarHBondContact NH2-OH 2.91Å; L14-Y208 HydrophobicContact CD2-CD2 4.45Å; L14-Y208 HydrophobicContact CD2-CE2 4.19Å; W203-Y208 HydrophobicContact CH2-CE2 4.04Å; W203-Y208 HydrophobicContact CZ3-CD2 4.12Å; W203-Y208 HydrophobicContact CZ3-CE2 4.02Å; L204-Y208 CarbonylContact O-C 3.5Å; L204-Y208 VanDerWaalsContact O-C 3.23Å; L204-Y208 WeakPolarHBondContact O-CA 3.3Å; L204-Y208 PolarHBondContact O-N 3.12Å; Y208-A210 VanDerWaalsContact C-N 3.33Å; Y208-A210 PolarHBondContact O-N 3.2Å; Y208-E211 PolarHBondContact O-N 3.27Å; Y208-F212 VanDerWaalsContact O-CB 3.24Å; Y208-F212 WeakPolarHBondContact O-CB 3.35Å; Y208-F212 PolarHBondContact O-N 3.13Å
209	P	93	Very high	93.9	Very high	39 Å²	39	22.4 Å²	22.4	25%	0.253	14%	0.138	S	C	.	.	H	α-helix	trans	-59.2	-40.7	-171.6	22.1	-33.8	0	0	0	113.1	K205 H207 M213 M237 L239	K205-P209 WeakPolarHBondContact O-CA 3.37Å; K205-P209 WeakPolarHBondContact O-CB 3.48Å; H207-P209 VanDerWaalsContact C-CD 3.44Å; P209-M213 WeakPolarHBondContact O-CB 3.42Å; P209-M213 PolarHBondContact O-N 2.85Å; P209-M237 HydrophobicContact CB-CE 3.42Å; P209-M237 VanDerWaalsContact CB-CE 3.42Å; P209-L239 HydrophobicContact CB-CD1 4.33Å
210	A	92.9	Very high	93.5	Very high	6 Å²	6	24.8 Å²	24.8	5%	0.05	15%	0.151	C	C	.	.	H	α-helix	trans	-65.7	-50.1	-178.6	0	0	0	0	0	111.8	Y208 M213 A214 L239 V255	Y208-A210 VanDerWaalsContact C-N 3.33Å; Y208-A210 PolarHBondContact O-N 3.2Å; A210-M213 PolarHBondContact O-N 3.03Å; A210-A214 VanDerWaalsContact O-CB 3.31Å; A210-A214 WeakPolarHBondContact O-CB 3.49Å; A210-A214 PolarHBondContact O-N 3.48Å; A210-L239 HydrophobicContact CB-CD2 3.99Å; A210-V255 HydrophobicContact CB-CG1 4.08Å; A210-V255 HydrophobicContact CB-CG2 4.29Å
211	E	93.5	Very high	93.1	Very high	8 Å²	8	23.4 Å²	23.4	4%	0.037	15%	0.145	C	C	.	.	H	α-helix	trans	-71.3	-36.2	-178.5	-62.6	85.1	165.2	0	0	112.4	M1 I2 R5 Y208 A215 V255	M1-E211 HydrophobicContact CB-CB 4.02Å; M1-E211 HydrophobicContact CB-CG 3.9Å; I2-E211 HydrophobicContact CD1-CB 4.39Å; I2-E211 HydrophobicContact CG1-CB 3.59Å; I2-E211 HydrophobicContact CG1-CG 4.04Å; R5-E211 WeakPolarHBondContact CD-OE1 3.44Å; R5-E211 IonicContact CZ-OE1 3.38Å; R5-E211 IonicContact NE-OE1 2.96Å; R5-E211 IonicContact NH1-OE1 3.68Å; R5-E211 PolarHBondContact NH1-OE1 2.81Å; R5-E211 IonicContact NH1-OE2 2.94Å; Y208-E211 PolarHBondContact O-N 3.27Å; E211-A215 WeakPolarHBondContact O-CB 3.29Å; E211-A215 PolarHBondContact O-N 2.9Å; E211-V255 HydrophobicContact CB-CG2 4.49Å; E211-V255 HydrophobicContact CG-CB 4.43Å; E211-V255 HydrophobicContact CG-CG2 4.08Å
212	F	94.4	Very high	92.5	Very high	16 Å²	16	29.3 Å²	29.3	7%	0.07	18%	0.175	C	C	.	.	H	α-helix	trans	-63.5	-49.9	173.6	177.5	-98	0	0	0	110.2	A37 T201 L204 K205 Y208 A214 A215 V216	A37-F212 HydrophobicContact CB-CE1 4.27Å; T201-F212 HydrophobicContact CG2-CE2 4.23Å; T201-F212 WeakPolarHBondContact O-CE2 3.24Å; L204-F212 HydrophobicContact CB-CB 4.36Å; L204-F212 HydrophobicContact CB-CD2 3.52Å; L204-F212 HydrophobicContact CB-CE2 4.17Å; L204-F212 HydrophobicContact CB-CG 4.2Å; L204-F212 HydrophobicContact CD1-CD2 4.35Å; K205-F212 HydrophobicContact CB-CD1 3.55Å; K205-F212 HydrophobicContact CB-CE1 3.74Å; K205-F212 HydrophobicContact CB-CG 4.05Å; K205-F212 HydrophobicContact CB-CZ 4.37Å; K205-F212 HydrophobicContact CD-CD1 4.25Å; K205-F212 HydrophobicContact CD-CE1 3.97Å; K205-F212 HydrophobicContact CG-CD1 3.72Å; K205-F212 HydrophobicContact CG-CE1 3.93Å; Y208-F212 VanDerWaalsContact O-CB 3.24Å; Y208-F212 WeakPolarHBondContact O-CB 3.35Å; Y208-F212 PolarHBondContact O-N 3.13Å; F212-A214 VanDerWaalsContact C-N 3.35Å; F212-A214 PolarHBondContact O-N 3.35Å; F212-A215 WeakPolarHBondContact O-CA 3.42Å; F212-A215 WeakPolarHBondContact O-CB 3.37Å; F212-A215 PolarHBondContact O-N 3.47Å; F212-V216 HydrophobicContact CD1-CG2 4.06Å; F212-V216 HydrophobicContact CE1-CG2 3.6Å; F212-V216 HydrophobicContact CE2-CG2 4.15Å; F212-V216 HydrophobicContact CZ-CG2 3.66Å; F212-V216 WeakPolarHBondContact O-CG2 3.29Å; F212-V216 PolarHBondContact O-N 3.28Å
213	M	94.1	Very high	91.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-67.3	-37.1	-177.3	-159.9	53.9	69.9	0	0	112.1	P209 A210 A215 V216 M217 L230 E233 C234 M237 L239 I261	P209-M213 WeakPolarHBondContact O-CB 3.42Å; P209-M213 PolarHBondContact O-N 2.85Å; A210-M213 PolarHBondContact O-N 3.03Å; M213-A215 VanDerWaalsContact C-N 3.29Å; M213-A215 PolarHBondContact O-N 3.01Å; M213-V216 PolarHBondContact O-N 3.43Å; M213-M217 HydrophobicContact CG-CE 4.13Å; M213-M217 WeakPolarHBondContact O-CB 3.45Å; M213-M217 WeakPolarHBondContact O-CE 3.33Å; M213-M217 WeakPolarHBondContact O-CG 3.13Å; M213-M217 PolarHBondContact O-N 2.85Å; M213-L230 HydrophobicContact SD-CB 4.35Å; M213-L230 HydrophobicContact SD-CD2 4.13Å; M213-E233 HydrophobicContact CE-CG 4Å; M213-E233 WeakPolarHBondContact CE-OE2 3.24Å; M213-C234 WeakPolarHBondContact CG-SG 3.23Å; M213-M237 HydrophobicContact CE-SD 3.85Å; M213-L239 HydrophobicContact CB-CD1 4.31Å; M213-I261 HydrophobicContact CB-CD1 4.14Å
214	A	94.2	Very high	90.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.2	-37.8	169.7	0	0	0	0	0	112.4	M1 A210 F212 T218 F253 V255 I261	M1-A214 HydrophobicContact CE-CB 3.93Å; M1-A214 HydrophobicContact SD-CB 3.92Å; A210-A214 VanDerWaalsContact O-CB 3.31Å; A210-A214 WeakPolarHBondContact O-CB 3.49Å; A210-A214 PolarHBondContact O-N 3.48Å; F212-A214 VanDerWaalsContact C-N 3.35Å; F212-A214 PolarHBondContact O-N 3.35Å; A214-T218 VanDerWaalsContact O-CB 3.3Å; A214-T218 WeakPolarHBondContact O-CB 3.49Å; A214-T218 PolarHBondContact O-N 3.46Å; A214-T218 PolarHBondContact O-OG1 3.1Å; A214-F253 HydrophobicContact CB-CB 4.27Å; A214-V255 HydrophobicContact CB-CG2 3.78Å; A214-I261 HydrophobicContact CB-CG2 4.05Å
215	A	94.3	Very high	89.6	Confident	47 Å²	47	39.3 Å²	39.3	39%	0.388	23%	0.227	S	C	.	.	H	α-helix	trans	-69.3	-40.6	176.8	0	0	0	0	0	112.4	M1 E211 F212 M213 T218 A219	M1-A215 HydrophobicContact CE-CB 3.9Å; E211-A215 WeakPolarHBondContact O-CB 3.29Å; E211-A215 PolarHBondContact O-N 2.9Å; F212-A215 WeakPolarHBondContact O-CA 3.42Å; F212-A215 WeakPolarHBondContact O-CB 3.37Å; F212-A215 PolarHBondContact O-N 3.47Å; M213-A215 VanDerWaalsContact C-N 3.29Å; M213-A215 PolarHBondContact O-N 3.01Å; A215-T218 WeakPolarHBondContact O-CB 3.26Å; A215-T218 PolarHBondContact O-N 3.44Å; A215-A219 PolarHBondContact O-N 3.06Å
216	V	93.5	Very high	88.8	Confident	24 Å²	24	43.9 Å²	43.9	15%	0.145	25%	0.247	C	C	.	.	H	α-helix	trans	-65.8	-46.2	176	-179.2	0	0	0	0	110.7	A37 F212 M213 T218 A219 D220 L230	A37-V216 HydrophobicContact CB-CB 4.4Å; A37-V216 HydrophobicContact CB-CG1 3.72Å; A37-V216 HydrophobicContact CB-CG2 4.08Å; F212-V216 HydrophobicContact CD1-CG2 4.06Å; F212-V216 HydrophobicContact CE1-CG2 3.6Å; F212-V216 HydrophobicContact CE2-CG2 4.15Å; F212-V216 HydrophobicContact CZ-CG2 3.66Å; F212-V216 WeakPolarHBondContact O-CG2 3.29Å; F212-V216 PolarHBondContact O-N 3.28Å; M213-V216 PolarHBondContact O-N 3.43Å; V216-T218 PolarHBondContact O-N 2.92Å; V216-A219 PolarHBondContact O-N 3.26Å; V216-D220 PolarHBondContact O-N 3Å; V216-D220 VanDerWaalsContact O-N 3.11Å; V216-L230 HydrophobicContact CB-CD1 4.48Å; V216-L230 HydrophobicContact CG1-CD1 3.68Å; V216-L230 HydrophobicContact CG1-CD2 3.77Å; V216-L230 HydrophobicContact CG1-CG 4.38Å
217	M	91.9	Very high	88.4	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-60.9	-33.1	175.1	-72.5	-173.1	-71.4	0	0	112	M213 M221 L230 V231 F253 I261	M213-M217 HydrophobicContact CG-CE 4.13Å; M213-M217 WeakPolarHBondContact O-CB 3.45Å; M213-M217 WeakPolarHBondContact O-CE 3.33Å; M213-M217 WeakPolarHBondContact O-CG 3.13Å; M213-M217 PolarHBondContact O-N 2.85Å; M217-M221 WeakPolarHBondContact O-CA 3.26Å; M217-M221 PolarHBondContact O-N 3.29Å; M217-M221 VanDerWaalsContact O-N 3.15Å; M217-L230 HydrophobicContact CB-CD1 4.48Å; M217-L230 HydrophobicContact CG-CB 3.75Å; M217-L230 HydrophobicContact CG-CD1 3.83Å; M217-L230 HydrophobicContact CG-CG 4.45Å; M217-L230 HydrophobicContact SD-CB 4.4Å; M217-V231 HydrophobicContact SD-CG2 4.02Å; M217-F253 HydrophobicContact CB-CD1 4.29Å; M217-F253 HydrophobicContact CB-CD2 3.78Å; M217-F253 HydrophobicContact CB-CE1 4.39Å; M217-F253 HydrophobicContact CB-CE2 3.89Å; M217-F253 HydrophobicContact CB-CG 3.99Å; M217-F253 HydrophobicContact CB-CZ 4.2Å; M217-F253 HydrophobicContact CE-CD1 4.34Å; M217-F253 WeakPolarHBondContact O-CE2 3.48Å; M217-F253 HydrophobicContact SD-CD1 4.43Å; M217-F253 HydrophobicContact SD-CE1 4.27Å; M217-I261 HydrophobicContact CE-CB 4.45Å; M217-I261 HydrophobicContact CE-CD1 3.57Å; M217-I261 HydrophobicContact CE-CG2 3.68Å
218	T	92.8	Very high	87.8	Confident	27 Å²	27	41.9 Å²	41.9	17%	0.166	24%	0.236	C	C	.	.	H	α-helix	trans	-67.2	-40.9	173.1	-64	0	0	0	0	112.1	A214 A215 V216 M221 H252 F253	A214-T218 VanDerWaalsContact O-CB 3.3Å; A214-T218 WeakPolarHBondContact O-CB 3.49Å; A214-T218 PolarHBondContact O-N 3.46Å; A214-T218 PolarHBondContact O-OG1 3.1Å; A215-T218 WeakPolarHBondContact O-CB 3.26Å; A215-T218 PolarHBondContact O-N 3.44Å; V216-T218 PolarHBondContact O-N 2.92Å; T218-M221 HydrophobicContact CG2-CE 3.61Å; T218-M221 WeakPolarHBondContact O-CE 3.27Å; T218-M221 WeakPolarHBondContact O-CG 3.46Å; T218-H252 HydrophobicContact CG2-CB 3.61Å; T218-H252 WeakPolarHBondContact CG2-ND1 3.39Å; T218-F253 PolarHBondContact OG1-N 3.13Å
219	A	92.2	Very high	87.2	Confident	80 Å²	80	42 Å²	42	66%	0.661	25%	0.246	S	C	*	.	H	α-helix	trans	-67.8	-34.9	-179	0	0	0	0	0	113.1	A215 V216	A215-A219 PolarHBondContact O-N 3.06Å; V216-A219 PolarHBondContact O-N 3.26Å
220	D	87.2	Confident	86.9	Confident	50 Å²	50	40.6 Å²	40.6	27%	0.267	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	20.7	-178.6	-86.1	-42.8	0	0	0	113.1	V216 D222 N223 K226	V216-D220 PolarHBondContact O-N 3Å; V216-D220 VanDerWaalsContact O-N 3.11Å; D220-D222 PolarHBondContact O-N 2.95Å; D220-D222 VanDerWaalsContact O-N 3.16Å; D220-N223 PolarHBondContact O-N 2.88Å; D220-K226 HydrophobicContact CB-CB 4.26Å; D220-K226 HydrophobicContact CB-CD 3.94Å; D220-K226 WeakPolarHBondContact OD1-CD 3.42Å; D220-K226 IonicContact OD1-NZ 3.14Å; D220-K226 PolarHBondContact OD1-NZ 3Å; D220-K226 VanDerWaalsContact OD2-CD 3.28Å; D220-K226 WeakPolarHBondContact OD2-CD 3.45Å; D220-K226 IonicContact OD2-NZ 3.74Å; D220-K226 PolarHBondContact OD2-NZ 3.18Å
221	M	86	Confident	86.6	Confident	12 Å²	12	40.4 Å²	40.4	6%	0.059	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-30.1	-173	66.7	172.2	66	0	0	114.9	M217 T218 N223 Y251 H252 F253 A267	M217-M221 WeakPolarHBondContact O-CA 3.26Å; M217-M221 PolarHBondContact O-N 3.29Å; M217-M221 VanDerWaalsContact O-N 3.15Å; T218-M221 HydrophobicContact CG2-CE 3.61Å; T218-M221 WeakPolarHBondContact O-CE 3.27Å; T218-M221 WeakPolarHBondContact O-CG 3.46Å; M221-N223 PolarHBondContact O-N 2.82Å; M221-Y251 HydrophobicContact CE-CE1 4.48Å; M221-Y251 HydrophobicContact SD-CE1 4.04Å; M221-H252 HydrophobicContact CE-CB 4.32Å; M221-H252 WeakPolarHBondContact CE-ND1 3.31Å; M221-F253 HydrophobicContact CB-CE2 4.31Å; M221-A267 HydrophobicContact CB-CB 4.43Å
222	D	82.3	Confident	85.9	Confident	147 Å²	147	41.3 Å²	41.3	79%	0.786	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-20.9	178.9	-64	-32.1	0	0	0	112	D220	D220-D222 PolarHBondContact O-N 2.95Å; D220-D222 VanDerWaalsContact O-N 3.16Å
223	N	81.6	Confident	85.4	Confident	64 Å²	64	41.1 Å²	41.1	34%	0.342	24%	0.24	S	C	.	.			trans	-104.5	89.7	-179.5	-169.4	-32	0	0	0	110.5	D220 M221 E225 K226 V227	D220-N223 PolarHBondContact O-N 2.88Å; M221-N223 PolarHBondContact O-N 2.82Å; N223-E225 PolarHBondContact O-N 3.18Å; N223-E225 VanDerWaalsContact O-N 3.14Å; N223-E225 WeakPolarHBondContact OD1-CB 3.23Å; N223-E225 PolarHBondContact OD1-N 3.14Å; N223-K226 HydrophobicContact CB-CB 4.18Å; N223-K226 HydrophobicContact CB-CD 4.2Å; N223-K226 HydrophobicContact CB-CG 4.19Å; N223-K226 PolarHBondContact O-N 3.43Å; N223-K226 PolarHBondContact OD1-N 3.31Å; N223-V227 PolarHBondContact O-N 3.38Å
224	T	75.2	Confident	85.2	Confident	42 Å²	42	41.1 Å²	41.1	26%	0.258	24%	0.24	S	C	.	.	H	α-helix	trans	-54.3	-35.4	179.8	55	0	0	0	0	113	V227 V228	T224-V227 PolarHBondContact O-N 2.68Å; T224-V228 WeakPolarHBondContact O-CG2 3.39Å; T224-V228 PolarHBondContact O-N 3.37Å
225	E	70.1	Confident	84.6	Confident	159 Å²	159	45.5 Å²	45.5	74%	0.743	26%	0.256	S	S	*	.	H	α-helix	trans	-65.7	-40.4	179.8	-60.8	-176.6	169.8	0	0	111.9	N223 G229	N223-E225 PolarHBondContact O-N 3.18Å; N223-E225 VanDerWaalsContact O-N 3.14Å; N223-E225 WeakPolarHBondContact OD1-CB 3.23Å; N223-E225 PolarHBondContact OD1-N 3.14Å; E225-G229 PolarHBondContact O-N 3.43Å
226	K	78	Confident	83.9	Confident	97 Å²	97	52.9 Å²	52.9	42%	0.422	27%	0.274	S	S	.	.	H	α-helix	trans	-66.8	-44.2	173.4	-73.4	-171	176.5	-171.3	0	111.4	D220 N223 V228 G229 L230	D220-K226 HydrophobicContact CB-CB 4.26Å; D220-K226 HydrophobicContact CB-CD 3.94Å; D220-K226 WeakPolarHBondContact OD1-CD 3.42Å; D220-K226 IonicContact OD1-NZ 3.14Å; D220-K226 PolarHBondContact OD1-NZ 3Å; D220-K226 VanDerWaalsContact OD2-CD 3.28Å; D220-K226 WeakPolarHBondContact OD2-CD 3.45Å; D220-K226 IonicContact OD2-NZ 3.74Å; D220-K226 PolarHBondContact OD2-NZ 3.18Å; N223-K226 HydrophobicContact CB-CB 4.18Å; N223-K226 HydrophobicContact CB-CD 4.2Å; N223-K226 HydrophobicContact CB-CG 4.19Å; N223-K226 PolarHBondContact O-N 3.43Å; N223-K226 PolarHBondContact OD1-N 3.31Å; K226-V228 VanDerWaalsContact C-N 3.27Å; K226-V228 PolarHBondContact O-N 3.08Å; K226-G229 WeakPolarHBondContact O-CA 3.39Å; K226-G229 PolarHBondContact O-N 3.25Å; K226-L230 WeakPolarHBondContact O-CG 3.44Å; K226-L230 PolarHBondContact O-N 2.82Å
227	V	84.6	Confident	83.6	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.012	28%	0.28	C	S	.	.	H	α-helix	trans	-56.2	-43	177.5	176.3	0	0	0	0	110.7	N223 T224 G229 L230 V231 F253 Y263	N223-V227 PolarHBondContact O-N 3.38Å; T224-V227 PolarHBondContact O-N 2.68Å; V227-G229 VanDerWaalsContact C-N 3.33Å; V227-G229 PolarHBondContact O-N 3.31Å; V227-L230 PolarHBondContact O-N 2.79Å; V227-L230 VanDerWaalsContact O-N 3.13Å; V227-V231 HydrophobicContact CG1-CG2 4.16Å; V227-V231 VanDerWaalsContact O-CG2 3.3Å; V227-V231 WeakPolarHBondContact O-CG2 3.42Å; V227-V231 PolarHBondContact O-N 2.85Å; V227-F253 HydrophobicContact CG1-CZ 4.14Å; V227-Y263 WeakPolarHBondContact CG1-OH 3.22Å
228	V	80.1	Confident	83.3	Confident	29 Å²	29	57.5 Å²	57.5	18%	0.176	31%	0.313	C	S	.	.	H	α-helix	trans	-56.8	-46.6	174.8	-178.5	0	0	0	0	111.4	T224 K226 L230 V231 D232 L389	T224-V228 WeakPolarHBondContact O-CG2 3.39Å; T224-V228 PolarHBondContact O-N 3.37Å; K226-V228 VanDerWaalsContact C-N 3.27Å; K226-V228 PolarHBondContact O-N 3.08Å; V228-L230 VanDerWaalsContact C-N 3.29Å; V228-L230 PolarHBondContact O-N 2.82Å; V228-V231 PolarHBondContact O-N 2.85Å; V228-D232 VanDerWaalsContact O-CG 3.32Å; V228-D232 PolarHBondContact O-N 2.93Å; V228-L389 HydrophobicContact CG1-CB 4.28Å; V228-L389 HydrophobicContact CG2-CB 3.92Å; V228-L389 HydrophobicContact CG2-CD2 4.03Å
229	G	79.4	Confident	83.1	Confident	33 Å²	33	57.4 Å²	57.4	34%	0.34	31%	0.311	S	S	.	.	H	α-helix	trans	-62.8	-33.7	177.8	0	0	0	0	0	113.8	E225 K226 V227 E233	E225-G229 PolarHBondContact O-N 3.43Å; K226-G229 WeakPolarHBondContact O-CA 3.39Å; K226-G229 PolarHBondContact O-N 3.25Å; V227-G229 VanDerWaalsContact C-N 3.33Å; V227-G229 PolarHBondContact O-N 3.31Å; G229-E233 PolarHBondContact O-N 3.36Å
230	L	86.9	Confident	82.9	Confident	10 Å²	10	59.2 Å²	59.2	5%	0.052	30%	0.304	C	S	.	.	H	α-helix	trans	-74.8	-37.1	175.9	-62.3	172.4	0	0	0	112.1	A37 M213 V216 M217 K226 V227 V228 E233 C234	A37-L230 HydrophobicContact CB-CD2 3.89Å; M213-L230 HydrophobicContact SD-CB 4.35Å; M213-L230 HydrophobicContact SD-CD2 4.13Å; V216-L230 HydrophobicContact CB-CD1 4.48Å; V216-L230 HydrophobicContact CG1-CD1 3.68Å; V216-L230 HydrophobicContact CG1-CD2 3.77Å; V216-L230 HydrophobicContact CG1-CG 4.38Å; M217-L230 HydrophobicContact CB-CD1 4.48Å; M217-L230 HydrophobicContact CG-CB 3.75Å; M217-L230 HydrophobicContact CG-CD1 3.83Å; M217-L230 HydrophobicContact CG-CG 4.45Å; M217-L230 HydrophobicContact SD-CB 4.4Å; K226-L230 WeakPolarHBondContact O-CG 3.44Å; K226-L230 PolarHBondContact O-N 2.82Å; V227-L230 PolarHBondContact O-N 2.79Å; V227-L230 VanDerWaalsContact O-N 3.13Å; V228-L230 VanDerWaalsContact C-N 3.29Å; V228-L230 PolarHBondContact O-N 2.82Å; L230-E233 WeakPolarHBondContact O-CB 3.37Å; L230-E233 PolarHBondContact O-N 2.88Å; L230-C234 PolarHBondContact O-N 2.96Å; L230-C234 PolarHBondContact O-SG 2.98Å
231	V	86.1	Confident	83.1	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.006	30%	0.295	C	S	.	.	H	α-helix	trans	-63.4	-43.5	174.2	166.3	0	0	0	0	110.7	M217 V227 V228 E233 C234 W235 I241 Y263 L389	M217-V231 HydrophobicContact SD-CG2 4.02Å; V227-V231 HydrophobicContact CG1-CG2 4.16Å; V227-V231 VanDerWaalsContact O-CG2 3.3Å; V227-V231 WeakPolarHBondContact O-CG2 3.42Å; V227-V231 PolarHBondContact O-N 2.85Å; V228-V231 PolarHBondContact O-N 2.85Å; V231-E233 PolarHBondContact O-N 2.85Å; V231-C234 VanDerWaalsContact O-CB 3.32Å; V231-C234 WeakPolarHBondContact O-CB 3.27Å; V231-C234 PolarHBondContact O-N 3.45Å; V231-C234 VanDerWaalsContact O-N 3.14Å; V231-W235 HydrophobicContact CG1-CD2 4.23Å; V231-W235 HydrophobicContact CG1-CE3 4.49Å; V231-W235 HydrophobicContact CG1-CH2 4.17Å; V231-W235 HydrophobicContact CG1-CZ2 3.88Å; V231-W235 HydrophobicContact CG1-CZ3 4.46Å; V231-W235 PolarHBondContact O-N 3.48Å; V231-I241 HydrophobicContact CB-CD1 4.04Å; V231-I241 HydrophobicContact CG1-CD1 3.68Å; V231-I241 HydrophobicContact CG2-CD1 3.9Å; V231-Y263 HydrophobicContact CG2-CE2 4.43Å; V231-L389 HydrophobicContact CB-CD2 4.15Å; V231-L389 HydrophobicContact CG1-CD1 4.13Å; V231-L389 HydrophobicContact CG1-CD2 4.2Å; V231-L389 HydrophobicContact CG2-CD2 3.88Å
232	D	79.3	Confident	83.3	Confident	27 Å²	27	58.6 Å²	58.6	14%	0.144	30%	0.3	C	S	.	.	H	α-helix	trans	-57.7	-39.1	173.5	-69.9	-30.3	0	0	0	111.4	V228 R236 R455	V228-D232 VanDerWaalsContact O-CG 3.32Å; V228-D232 PolarHBondContact O-N 2.93Å; D232-R236 WeakPolarHBondContact O-CG 3.44Å; D232-R236 PolarHBondContact O-N 3.16Å; D232-R236 VanDerWaalsContact O-N 3.11Å; D232-R455 IonicContact OD1-NH2 2.6Å; D232-R455 PolarHBondContact OD1-NH2 2.81Å; D232-R455 IonicContact OD2-CZ 2.86Å; D232-R455 IonicContact OD2-NH1 2.66Å; D232-R455 PolarHBondContact OD2-NH1 3.46Å; D232-R455 IonicContact OD2-NH2 3.41Å; D232-R455 PolarHBondContact OD2-NH2 3.13Å
233	E	84.2	Confident	83.6	Confident	13 Å²	13	53.4 Å²	53.4	6%	0.061	28%	0.275	C	S	.	.	H	α-helix	trans	-68.8	-41.9	175.6	-178.5	166.3	-124.6	0	0	112.4	T36 K205 M213 G229 L230 V231 W235 R236 M237	T36-E233 WeakPolarHBondContact CB-OE1 3.37Å; T36-E233 VanDerWaalsContact CB-OE2 3.28Å; T36-E233 WeakPolarHBondContact CB-OE2 3.39Å; T36-E233 PolarHBondContact OG1-OE1 3.47Å; K205-E233 IonicContact NZ-OE1 2.64Å; K205-E233 PolarHBondContact NZ-OE1 2.93Å; K205-E233 IonicContact NZ-OE2 2.98Å; K205-E233 PolarHBondContact NZ-OE2 2.73Å; M213-E233 HydrophobicContact CE-CG 4Å; M213-E233 WeakPolarHBondContact CE-OE2 3.24Å; G229-E233 PolarHBondContact O-N 3.36Å; L230-E233 WeakPolarHBondContact O-CB 3.37Å; L230-E233 PolarHBondContact O-N 2.88Å; V231-E233 PolarHBondContact O-N 2.85Å; E233-W235 VanDerWaalsContact C-N 3.28Å; E233-W235 PolarHBondContact O-N 3.48Å; E233-R236 PolarHBondContact O-N 3.24Å; E233-R236 VanDerWaalsContact O-N 3.16Å; E233-M237 HydrophobicContact CG-CG 4.28Å; E233-M237 HydrophobicContact CG-SD 3.9Å; E233-M237 VanDerWaalsContact O-CG 3.29Å; E233-M237 WeakPolarHBondContact O-CG 3.32Å; E233-M237 PolarHBondContact O-N 2.9Å
234	C	88.8	Confident	84.1	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-53.3	-48.2	174.1	-64.8	0	0	0	0	111.1	M213 L230 V231 R236 M237 G238 L239 I241	M213-C234 WeakPolarHBondContact CG-SG 3.23Å; L230-C234 PolarHBondContact O-N 2.96Å; L230-C234 PolarHBondContact O-SG 2.98Å; V231-C234 VanDerWaalsContact O-CB 3.32Å; V231-C234 WeakPolarHBondContact O-CB 3.27Å; V231-C234 PolarHBondContact O-N 3.45Å; V231-C234 VanDerWaalsContact O-N 3.14Å; C234-R236 PolarHBondContact O-N 3.36Å; C234-M237 CarbonylContact O-C 3.59Å; C234-M237 PolarHBondContact O-N 3.24Å; C234-G238 PolarHBondContact O-N 3.26Å; C234-G238 VanDerWaalsContact O-N 3.15Å; C234-L239 HydrophobicContact CB-CB 4.13Å; C234-L239 HydrophobicContact CB-CD1 4.5Å; C234-L239 WeakPolarHBondContact O-CB 3.33Å; C234-L239 PolarHBondContact O-N 2.92Å; C234-I241 HydrophobicContact CB-CD1 3.46Å; C234-I241 VanDerWaalsContact CB-CD1 3.46Å; C234-I241 HydrophobicContact CB-CG1 4.07Å
235	W	83.2	Confident	84.9	Confident	92 Å²	92	48.9 Å²	48.9	35%	0.348	25%	0.249	S	C	.	.	H	α-helix	trans	-64.8	-39.4	179.7	-68.8	-17.5	0	0	0	112.5	V231 E233 M237 G238 L391	V231-W235 HydrophobicContact CG1-CD2 4.23Å; V231-W235 HydrophobicContact CG1-CE3 4.49Å; V231-W235 HydrophobicContact CG1-CH2 4.17Å; V231-W235 HydrophobicContact CG1-CZ2 3.88Å; V231-W235 HydrophobicContact CG1-CZ3 4.46Å; V231-W235 PolarHBondContact O-N 3.48Å; E233-W235 VanDerWaalsContact C-N 3.28Å; E233-W235 PolarHBondContact O-N 3.48Å; W235-M237 VanDerWaalsContact C-N 3.28Å; W235-M237 PolarHBondContact O-N 3.26Å; W235-G238 PolarHBondContact O-N 3.05Å; W235-L391 HydrophobicContact CZ2-CD1 4.21Å
236	R	79.7	Confident	85.8	Confident	202 Å²	202	41.3 Å²	41.3	76%	0.762	21%	0.213	S	C	*	.	H	α-helix	trans	-63.3	-34.9	173.6	-73	174.2	-176.3	-166.3	1.2	112.5	D232 E233 C234 G238	D232-R236 WeakPolarHBondContact O-CG 3.44Å; D232-R236 PolarHBondContact O-N 3.16Å; D232-R236 VanDerWaalsContact O-N 3.11Å; E233-R236 PolarHBondContact O-N 3.24Å; E233-R236 VanDerWaalsContact O-N 3.16Å; C234-R236 PolarHBondContact O-N 3.36Å; R236-G238 PolarHBondContact O-N 3.44Å
237	M	85.7	Confident	86.4	Confident	54 Å²	54	38.5 Å²	38.5	27%	0.266	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-5.2	174.2	-65.6	175.2	73.2	0	0	113	M29 K205 P209 M213 E233 C234 W235 L239	M29-M237 HydrophobicContact CE-CE 4.36Å; K205-M237 HydrophobicContact CG-CE 4.04Å; P209-M237 HydrophobicContact CB-CE 3.42Å; P209-M237 VanDerWaalsContact CB-CE 3.42Å; M213-M237 HydrophobicContact CE-SD 3.85Å; E233-M237 HydrophobicContact CG-CG 4.28Å; E233-M237 HydrophobicContact CG-SD 3.9Å; E233-M237 VanDerWaalsContact O-CG 3.29Å; E233-M237 WeakPolarHBondContact O-CG 3.32Å; E233-M237 PolarHBondContact O-N 2.9Å; C234-M237 CarbonylContact O-C 3.59Å; C234-M237 PolarHBondContact O-N 3.24Å; W235-M237 VanDerWaalsContact C-N 3.28Å; W235-M237 PolarHBondContact O-N 3.26Å; M237-L239 VanDerWaalsContact C-N 3.32Å; M237-L239 HydrophobicContact CB-CD1 4.36Å; M237-L239 HydrophobicContact CB-CG 4.21Å
238	G	85.5	Confident	86.5	Confident	67 Å²	67	40.5 Å²	40.5	69%	0.691	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.9	15	-176.8	0	0	0	0	0	114.2	C234 W235 R236	C234-G238 PolarHBondContact O-N 3.26Å; C234-G238 VanDerWaalsContact O-N 3.15Å; W235-G238 PolarHBondContact O-N 3.05Å; R236-G238 PolarHBondContact O-N 3.44Å
239	L	88.7	Confident	86.8	Confident	25 Å²	25	39.1 Å²	39.1	13%	0.131	21%	0.209	C	C	.	.			trans	-78.4	136	175.9	-63	173.1	0	0	0	110.3	P209 A210 M213 C234 M237 I261	P209-L239 HydrophobicContact CB-CD1 4.33Å; A210-L239 HydrophobicContact CB-CD2 3.99Å; M213-L239 HydrophobicContact CB-CD1 4.31Å; C234-L239 HydrophobicContact CB-CB 4.13Å; C234-L239 HydrophobicContact CB-CD1 4.5Å; C234-L239 WeakPolarHBondContact O-CB 3.33Å; C234-L239 PolarHBondContact O-N 2.92Å; M237-L239 VanDerWaalsContact C-N 3.32Å; M237-L239 HydrophobicContact CB-CD1 4.36Å; M237-L239 HydrophobicContact CB-CG 4.21Å; L239-I261 HydrophobicContact CD1-CD1 4.24Å
240	K	89	Confident	87.2	Confident	118 Å²	118	40.8 Å²	40.8	51%	0.513	21%	0.21	S	C	.	.			trans	-89.5	128.8	175.6	-174.7	165	161.6	-147.5	0	110	E260 I261	K240-E260 HydrophobicContact CB-CB 4.42Å; K240-E260 HydrophobicContact CB-CG 4.22Å; K240-E260 HydrophobicContact CD-CG 4.49Å; K240-E260 WeakPolarHBondContact CD-OE1 3.49Å; K240-E260 VanDerWaalsContact CE-OE1 3.27Å; K240-E260 WeakPolarHBondContact CE-OE1 3.28Å; K240-E260 HydrophobicContact CG-CG 4.5Å; K240-E260 IonicContact NZ-OE1 3.33Å; K240-E260 PolarHBondContact NZ-OE1 3.14Å; K240-E260 WeakPolarHBondContact O-CA 3.45Å; K240-I261 PolarHBondContact O-N 2.91Å
241	I	90	Very high	87.3	Confident	15 Å²	15	43 Å²	43	8%	0.077	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	125.3	174.9	-61.1	163	0	0	0	107.8	V231 C234 I261 Y263 L391	V231-I241 HydrophobicContact CB-CD1 4.04Å; V231-I241 HydrophobicContact CG1-CD1 3.68Å; V231-I241 HydrophobicContact CG2-CD1 3.9Å; C234-I241 HydrophobicContact CB-CD1 3.46Å; C234-I241 VanDerWaalsContact CB-CD1 3.46Å; C234-I241 HydrophobicContact CB-CG1 4.07Å; I241-I261 CarbonylContact C-O 3.45Å; I241-I261 VanDerWaalsContact CA-O 3.3Å; I241-I261 WeakPolarHBondContact CA-O 3.29Å; I241-I261 HydrophobicContact CG1-CB 4.32Å; I241-Y263 HydrophobicContact CG2-CD2 3.81Å; I241-Y263 HydrophobicContact CG2-CE2 4.3Å; I241-L391 HydrophobicContact CB-CD1 4.28Å; I241-L391 HydrophobicContact CG2-CD1 3.89Å
242	L	90.4	Very high	87.6	Confident	33 Å²	33	47.4 Å²	47.4	17%	0.173	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	147.9	174.7	-64.1	-176.6	0	0	0	110.4	E260 I261 V262 Y263	L242-E260 HydrophobicContact CD1-CB 4.44Å; L242-E260 VanDerWaalsContact CD1-OE2 3.31Å; L242-E260 WeakPolarHBondContact CD1-OE2 3.24Å; L242-E260 HydrophobicContact CG-CB 4.31Å; L242-I261 PolarHBondContact N-O 3.09Å; L242-V262 HydrophobicContact CD1-CG2 4.15Å; L242-Y263 WeakPolarHBondContact O-CB 3.31Å; L242-Y263 PolarHBondContact O-N 3.38Å
243	P	90.2	Very high	88.2	Confident	39 Å²	39	46.3 Å²	46.3	25%	0.253	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-59.8	161.2	171.4	27.7	-34.6	0	0	0	111.6	L391 T392	P243-L391 HydrophobicContact CB-CD2 4.04Å; P243-T392 HydrophobicContact CB-CG2 4.49Å
244	P	91	Very high	88.6	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.006	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-53.9	147.4	168.6	-13.2	22.9	0	0	0	109.7	Y263 I268 A317 L387	P244-Y263 HydrophobicContact CG-CD1 4.11Å; P244-Y263 HydrophobicContact CG-CG 4.18Å; P244-I268 HydrophobicContact CB-CD1 3.96Å; P244-I268 HydrophobicContact CG-CD1 3.94Å; P244-I268 HydrophobicContact CG-CG1 4.2Å; P244-A317 HydrophobicContact CB-CB 4.15Å; P244-A317 VanDerWaalsContact O-CA 3.27Å; P244-A317 WeakPolarHBondContact O-CA 3.27Å; P244-L387 HydrophobicContact CG-CD2 4Å
245	D	91.4	Very high	88.7	Confident	9 Å²	9	48.4 Å²	48.4	5%	0.048	24%	0.243	C	C	.	.			trans	-143.2	130.9	175.4	169.9	29.3	0	0	0	107.6	N247 S248 G249 R320	D245-N247 VanDerWaalsContact C-N 3.26Å; D245-N247 PolarHBondContact O-N 3.36Å; D245-N247 PolarHBondContact OD1-N 3.17Å; D245-S248 WeakPolarHBondContact CB-OG 3.43Å; D245-S248 WeakPolarHBondContact OD2-CB 3.42Å; D245-S248 PolarHBondContact OD2-N 3.47Å; D245-S248 PolarHBondContact OD2-OG 3.36Å; D245-G249 WeakPolarHBondContact O-CA 3.47Å; D245-G249 PolarHBondContact O-N 2.67Å; D245-R320 IonicContact OD2-CZ 2.79Å; D245-R320 IonicContact OD2-NH1 3.69Å; D245-R320 PolarHBondContact OD2-NH1 3.24Å
246	I	90.4	Very high	89	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-31.8	-177.8	-71.9	173.7	0	0	0	111.5	I279 R283 F289 L295 A317 F318	I246-I279 HydrophobicContact CG2-CG2 3.74Å; I246-R283 PolarHBondContact O-NH1 2.91Å; I246-F289 HydrophobicContact CG2-CD2 3.52Å; I246-F289 HydrophobicContact CG2-CE2 3.69Å; I246-F289 HydrophobicContact CG2-CG 4.5Å; I246-L295 HydrophobicContact CD1-CD2 3.96Å; I246-L295 HydrophobicContact CG2-CD1 4.27Å; I246-A317 HydrophobicContact CD1-CB 4.28Å; I246-A317 HydrophobicContact CG1-CB 3.92Å; I246-A317 PolarHBondContact N-O 3.06Å; I246-F318 HydrophobicContact CD1-CD1 3.64Å; I246-F318 HydrophobicContact CD1-CD2 3.68Å; I246-F318 HydrophobicContact CD1-CE1 3.29Å; I246-F318 HydrophobicContact CD1-CE2 3.39Å; I246-F318 HydrophobicContact CD1-CG 3.81Å; I246-F318 HydrophobicContact CD1-CZ 3.15Å
247	N	89.6	Confident	89.1	Confident	39 Å²	39	42.3 Å²	42.3	21%	0.209	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-40.2	-177.3	-81.6	-35.5	0	0	0	112.9	D245 R283 F289	D245-N247 VanDerWaalsContact C-N 3.26Å; D245-N247 PolarHBondContact O-N 3.36Å; D245-N247 PolarHBondContact OD1-N 3.17Å; N247-R283 VanDerWaalsContact O-CD 3.24Å; N247-R283 WeakPolarHBondContact O-CD 3.34Å; N247-R283 PolarHBondContact O-NH1 3.37Å; N247-F289 PolarHBondContact ND2-O 3.32Å; N247-F289 PolarHBondContact OD1-N 3.2Å
248	S	87.6	Confident	89	Confident	43 Å²	43	46.2 Å²	46.2	30%	0.301	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-24.5	-179.8	58.6	0	0	0	0	114.7	D245 H254	D245-S248 WeakPolarHBondContact CB-OG 3.43Å; D245-S248 WeakPolarHBondContact OD2-CB 3.42Å; D245-S248 PolarHBondContact OD2-N 3.47Å; D245-S248 PolarHBondContact OD2-OG 3.36Å; S248-H254 PolarHBondContact O-CE1 3.45Å
249	G	85.9	Confident	88.9	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.			trans	-62.1	146	-173.9	0	0	0	0	0	114.1	D245 R283	D245-G249 WeakPolarHBondContact O-CA 3.47Å; D245-G249 PolarHBondContact O-N 2.67Å; G249-R283 PolarHBondContact O-NH1 3.13Å
250	L	88.2	Confident	89	Confident	69 Å²	69	44.5 Å²	44.5	36%	0.361	23%	0.234	S	C	.	.			trans	-115.2	171.5	170.2	-62.2	178.7	0	0	0	108.8	H254 I265	L250-H254 HydrophobicContact CD1-CB 4.12Å; L250-I265 PolarHBondContact O-N 2.89Å
251	Y	89	Confident	89.2	Confident	55 Å²	55	38.9 Å²	38.9	22%	0.216	21%	0.209	C	C	.	.	S	Bend	trans	-57.8	-50.4	175	177.9	-101.3	0	0	0	111	M221 G264 I265 G266 E273 I276	M221-Y251 HydrophobicContact CE-CE1 4.48Å; M221-Y251 HydrophobicContact SD-CE1 4.04Å; Y251-G264 CarbonylContact O-C 3.49Å; Y251-G264 WeakPolarHBondContact O-CA 3.38Å; Y251-I265 PolarHBondContact O-N 2.93Å; Y251-G266 WeakPolarHBondContact O-CA 3.42Å; Y251-G266 PolarHBondContact O-N 3.09Å; Y251-E273 HydrophobicContact CD2-CG 4.44Å; Y251-E273 HydrophobicContact CE2-CB 4.04Å; Y251-E273 HydrophobicContact CE2-CG 3.86Å; Y251-I276 HydrophobicContact CD2-CB 4.19Å; Y251-I276 HydrophobicContact CD2-CD1 3.81Å; Y251-I276 HydrophobicContact CD2-CG2 3.95Å; Y251-I276 HydrophobicContact CE2-CD1 3.98Å
252	H	92.6	Very high	89.3	Confident	95 Å²	95	38.3 Å²	38.3	44%	0.44	21%	0.206	S	C	.	.	S	Bend	trans	-86.6	161	175	-59.9	-45.9	0	0	0	112.7	T218 M221	T218-H252 HydrophobicContact CG2-CB 3.61Å; T218-H252 WeakPolarHBondContact CG2-ND1 3.39Å; M221-H252 HydrophobicContact CE-CB 4.32Å; M221-H252 WeakPolarHBondContact CE-ND1 3.31Å
253	F	92.2	Very high	89.3	Confident	3 Å²	3	36.8 Å²	36.8	1%	0.013	20%	0.198	C	C	.	.			trans	-60.2	139.1	169.1	-66.8	-97.1	0	0	0	109.5	A214 M217 T218 M221 V227 I261 Y263 A267	A214-F253 HydrophobicContact CB-CB 4.27Å; M217-F253 HydrophobicContact CB-CD1 4.29Å; M217-F253 HydrophobicContact CB-CD2 3.78Å; M217-F253 HydrophobicContact CB-CE1 4.39Å; M217-F253 HydrophobicContact CB-CE2 3.89Å; M217-F253 HydrophobicContact CB-CG 3.99Å; M217-F253 HydrophobicContact CB-CZ 4.2Å; M217-F253 HydrophobicContact CE-CD1 4.34Å; M217-F253 WeakPolarHBondContact O-CE2 3.48Å; M217-F253 HydrophobicContact SD-CD1 4.43Å; M217-F253 HydrophobicContact SD-CE1 4.27Å; T218-F253 PolarHBondContact OG1-N 3.13Å; M221-F253 HydrophobicContact CB-CE2 4.31Å; V227-F253 HydrophobicContact CG1-CZ 4.14Å; F253-I261 HydrophobicContact CB-CG2 4.43Å; F253-I261 HydrophobicContact CD1-CG2 4.22Å; F253-Y263 HydrophobicContact CD1-CG 4.43Å; F253-Y263 AromaticContact CE1-CD1 3.72Å; F253-Y263 HydrophobicContact CE1-CD1 3.72Å; F253-Y263 AromaticContact CE1-CD2 3.71Å; F253-Y263 HydrophobicContact CE1-CD2 3.71Å; F253-Y263 AromaticContact CE1-CE1 3.86Å; F253-Y263 HydrophobicContact CE1-CE1 3.86Å; F253-Y263 AromaticContact CE1-CE2 3.83Å; F253-Y263 HydrophobicContact CE1-CE2 3.83Å; F253-Y263 AromaticContact CE1-CG 3.65Å; F253-Y263 HydrophobicContact CE1-CG 3.65Å; F253-Y263 AromaticContact CE1-CZ 3.92Å; F253-Y263 AromaticContact CZ-CD1 3.92Å; F253-Y263 HydrophobicContact CZ-CD1 3.92Å; F253-Y263 AromaticContact CZ-CE1 3.73Å; F253-Y263 HydrophobicContact CZ-CE1 3.73Å; F253-Y263 HydrophobicContact CZ-CE2 4.33Å; F253-Y263 HydrophobicContact CZ-CG 4.32Å; F253-Y263 AromaticContact CZ-CZ 3.95Å; F253-A267 HydrophobicContact CE2-CB 3.75Å; F253-A267 HydrophobicContact CZ-CB 3.7Å
254	H	90.9	Very high	89.2	Confident	32 Å²	32	34.9 Å²	34.9	15%	0.148	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	163.9	177.2	74.5	-82.8	0	0	0	110.9	S248 L250 V262	S248-H254 PolarHBondContact O-CE1 3.45Å; L250-H254 HydrophobicContact CD1-CB 4.12Å; H254-V262 WeakPolarHBondContact CE1-CB 3.21Å; H254-V262 VanDerWaalsContact CE1-CG1 3.45Å; H254-V262 WeakPolarHBondContact CE1-CG1 3.3Å; H254-V262 PolarHBondContact N-O 2.89Å; H254-V262 PolarHBondContact O-N 3.45Å
255	V	92.3	Very high	89.1	Confident	25 Å²	25	34.9 Å²	34.9	15%	0.152	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	129.2	179	-174.3	0	0	0	0	108.1	M1 A210 E211 A214 E260 I261	M1-V255 HydrophobicContact SD-CG2 4.27Å; A210-V255 HydrophobicContact CB-CG1 4.08Å; A210-V255 HydrophobicContact CB-CG2 4.29Å; E211-V255 HydrophobicContact CB-CG2 4.49Å; E211-V255 HydrophobicContact CG-CB 4.43Å; E211-V255 HydrophobicContact CG-CG2 4.08Å; A214-V255 HydrophobicContact CB-CG2 3.78Å; V255-E260 WeakPolarHBondContact CA-O 3.4Å; V255-I261 HydrophobicContact CG2-CG1 4.39Å
256	N	88.1	Confident	88.9	Confident	36 Å²	36	35.1 Å²	35.1	19%	0.193	19%	0.19	C	C	.	.			trans	-75.7	175.1	174	71.2	5.9	0	0	0	110.9	D258 G259 E260 V262	N256-D258 PolarHBondContact O-N 3.28Å; N256-D258 PolarHBondContact OD1-N 3.12Å; N256-G259 PolarHBondContact O-N 3.48Å; N256-G259 VanDerWaalsContact O-N 3.12Å; N256-G259 PolarHBondContact OD1-N 2.78Å; N256-G259 VanDerWaalsContact OD1-N 3.12Å; N256-E260 PolarHBondContact N-O 2.89Å; N256-E260 PolarHBondContact ND2-OE2 3.29Å; N256-E260 WeakPolarHBondContact OD1-CA 3.25Å; N256-E260 WeakPolarHBondContact OD1-CB 3.5Å; N256-E260 PolarHBondContact OD1-N 3.2Å; N256-E260 PolarHBondContact OD1-O 2.97Å; N256-V262 HydrophobicContact CB-CG2 4.26Å
257	D	82.6	Confident	88.8	Confident	131 Å²	131	35.3 Å²	35.3	70%	0.701	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-21.2	-177.8	-71.9	-15.5	0	0	0	112.9	K8 G259	K8-D257 IonicContact NZ-OD1 3.09Å; K8-D257 PolarHBondContact NZ-OD1 3.21Å; K8-D257 IonicContact NZ-OD2 2.93Å; K8-D257 PolarHBondContact NZ-OD2 2.91Å; D257-G259 VanDerWaalsContact C-N 3.26Å; D257-G259 PolarHBondContact O-N 3Å
258	D	83.2	Confident	88.7	Confident	135 Å²	135	33.6 Å²	33.6	72%	0.722	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-3.4	176.1	-58.6	-42.5	0	0	0	113.3	N256 E260	N256-D258 PolarHBondContact O-N 3.28Å; N256-D258 PolarHBondContact OD1-N 3.12Å; D258-E260 HydrophobicContact CB-CG 4.14Å
259	G	84.2	Confident	88.7	Confident	21 Å²	21	37.7 Å²	37.7	22%	0.216	20%	0.195	C	C	.	.	S	Bend	trans	81.4	14.6	-178.5	0	0	0	0	0	114.5	N256 D257	N256-G259 PolarHBondContact O-N 3.48Å; N256-G259 VanDerWaalsContact O-N 3.12Å; N256-G259 PolarHBondContact OD1-N 2.78Å; N256-G259 VanDerWaalsContact OD1-N 3.12Å; D257-G259 VanDerWaalsContact C-N 3.26Å; D257-G259 PolarHBondContact O-N 3Å
260	E	91.2	Very high	88.6	Confident	35 Å²	35	39.7 Å²	39.7	16%	0.164	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-90.6	144.5	175.8	-45.9	175.7	139.3	0	0	110.3	K240 L242 V255 N256 D258	K240-E260 HydrophobicContact CB-CB 4.42Å; K240-E260 HydrophobicContact CB-CG 4.22Å; K240-E260 HydrophobicContact CD-CG 4.49Å; K240-E260 WeakPolarHBondContact CD-OE1 3.49Å; K240-E260 VanDerWaalsContact CE-OE1 3.27Å; K240-E260 WeakPolarHBondContact CE-OE1 3.28Å; K240-E260 HydrophobicContact CG-CG 4.5Å; K240-E260 IonicContact NZ-OE1 3.33Å; K240-E260 PolarHBondContact NZ-OE1 3.14Å; K240-E260 WeakPolarHBondContact O-CA 3.45Å; L242-E260 HydrophobicContact CD1-CB 4.44Å; L242-E260 VanDerWaalsContact CD1-OE2 3.31Å; L242-E260 WeakPolarHBondContact CD1-OE2 3.24Å; L242-E260 HydrophobicContact CG-CB 4.31Å; V255-E260 WeakPolarHBondContact CA-O 3.4Å; N256-E260 PolarHBondContact N-O 2.89Å; N256-E260 PolarHBondContact ND2-OE2 3.29Å; N256-E260 WeakPolarHBondContact OD1-CA 3.25Å; N256-E260 WeakPolarHBondContact OD1-CB 3.5Å; N256-E260 PolarHBondContact OD1-N 3.2Å; N256-E260 PolarHBondContact OD1-O 2.97Å; D258-E260 HydrophobicContact CB-CG 4.14Å
261	I	92.5	Very high	88.5	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	117	-179.9	-54.1	177	0	0	0	109.1	M213 A214 M217 L239 K240 I241 L242 F253 V255	M213-I261 HydrophobicContact CB-CD1 4.14Å; A214-I261 HydrophobicContact CB-CG2 4.05Å; M217-I261 HydrophobicContact CE-CB 4.45Å; M217-I261 HydrophobicContact CE-CD1 3.57Å; M217-I261 HydrophobicContact CE-CG2 3.68Å; L239-I261 HydrophobicContact CD1-CD1 4.24Å; K240-I261 PolarHBondContact O-N 2.91Å; I241-I261 CarbonylContact C-O 3.45Å; I241-I261 VanDerWaalsContact CA-O 3.3Å; I241-I261 WeakPolarHBondContact CA-O 3.29Å; I241-I261 HydrophobicContact CG1-CB 4.32Å; L242-I261 PolarHBondContact N-O 3.09Å; F253-I261 HydrophobicContact CB-CG2 4.43Å; F253-I261 HydrophobicContact CD1-CG2 4.22Å; V255-I261 HydrophobicContact CG2-CG1 4.39Å
262	V	91.7	Very high	88.2	Confident	3 Å²	3	36.2 Å²	36.2	2%	0.018	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	129.7	172.9	-176.6	0	0	0	0	109.1	L242 H254 N256 G264	L242-V262 HydrophobicContact CD1-CG2 4.15Å; H254-V262 WeakPolarHBondContact CE1-CB 3.21Å; H254-V262 VanDerWaalsContact CE1-CG1 3.45Å; H254-V262 WeakPolarHBondContact CE1-CG1 3.3Å; H254-V262 PolarHBondContact N-O 2.89Å; H254-V262 PolarHBondContact O-N 3.45Å; N256-V262 HydrophobicContact CB-CG2 4.26Å; V262-G264 PolarHBondContact O-N 2.95Å
263	Y	89.9	Confident	88	Confident	1 Å²	1	36.8 Å²	36.8	0%	0.004	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-58.4	133	179.5	-133.1	-92.1	0	0	0	111.6	V227 V231 I241 L242 P244 F253 A267 L387 L389 L391	V227-Y263 WeakPolarHBondContact CG1-OH 3.22Å; V231-Y263 HydrophobicContact CG2-CE2 4.43Å; I241-Y263 HydrophobicContact CG2-CD2 3.81Å; I241-Y263 HydrophobicContact CG2-CE2 4.3Å; L242-Y263 WeakPolarHBondContact O-CB 3.31Å; L242-Y263 PolarHBondContact O-N 3.38Å; P244-Y263 HydrophobicContact CG-CD1 4.11Å; P244-Y263 HydrophobicContact CG-CG 4.18Å; F253-Y263 HydrophobicContact CD1-CG 4.43Å; F253-Y263 AromaticContact CE1-CD1 3.72Å; F253-Y263 HydrophobicContact CE1-CD1 3.72Å; F253-Y263 AromaticContact CE1-CD2 3.71Å; F253-Y263 HydrophobicContact CE1-CD2 3.71Å; F253-Y263 AromaticContact CE1-CE1 3.86Å; F253-Y263 HydrophobicContact CE1-CE1 3.86Å; F253-Y263 AromaticContact CE1-CE2 3.83Å; F253-Y263 HydrophobicContact CE1-CE2 3.83Å; F253-Y263 AromaticContact CE1-CG 3.65Å; F253-Y263 HydrophobicContact CE1-CG 3.65Å; F253-Y263 AromaticContact CE1-CZ 3.92Å; F253-Y263 AromaticContact CZ-CD1 3.92Å; F253-Y263 HydrophobicContact CZ-CD1 3.92Å; F253-Y263 AromaticContact CZ-CE1 3.73Å; F253-Y263 HydrophobicContact CZ-CE1 3.73Å; F253-Y263 HydrophobicContact CZ-CE2 4.33Å; F253-Y263 HydrophobicContact CZ-CG 4.32Å; F253-Y263 AromaticContact CZ-CZ 3.95Å; Y263-A267 HydrophobicContact CD1-CB 4.22Å; Y263-A267 HydrophobicContact CE1-CB 3.82Å; Y263-L387 HydrophobicContact CD1-CD2 4.04Å; Y263-L387 HydrophobicContact CE1-CD2 3.78Å; Y263-L389 WeakPolarHBondContact OH-CD2 3.3Å; Y263-L391 HydrophobicContact CD2-CD2 3.9Å; Y263-L391 HydrophobicContact CE2-CD2 4.21Å
264	G	89.5	Confident	87.7	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-70.7	130.2	173.1	0	0	0	0	0	110.6	Y251 V262 G266 A267	Y251-G264 CarbonylContact O-C 3.49Å; Y251-G264 WeakPolarHBondContact O-CA 3.38Å; V262-G264 PolarHBondContact O-N 2.95Å; G264-G266 PolarHBondContact O-N 2.88Å; G264-A267 WeakPolarHBondContact O-CB 3.48Å; G264-A267 PolarHBondContact O-N 2.72Å; G264-A267 VanDerWaalsContact O-N 3.11Å
265	I	88.7	Confident	87.6	Confident	0 Å²	0	38 Å²	38	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-63.6	-27.5	178.5	-54.9	177.9	0	0	0	110.2	L250 Y251 A267 I268 I276 L312	L250-I265 PolarHBondContact O-N 2.89Å; Y251-I265 PolarHBondContact O-N 2.93Å; I265-A267 PolarHBondContact O-N 3.43Å; I265-I268 HydrophobicContact CB-CD1 4.42Å; I265-I268 HydrophobicContact CG2-CD1 3.87Å; I265-I268 WeakPolarHBondContact O-CB 3.32Å; I265-I268 WeakPolarHBondContact O-CG1 3.34Å; I265-I268 PolarHBondContact O-N 2.91Å; I265-I276 HydrophobicContact CB-CD1 4.36Å; I265-I276 HydrophobicContact CB-CG1 4.44Å; I265-I276 HydrophobicContact CB-CG2 4.03Å; I265-I276 HydrophobicContact CG2-CD1 3.96Å; I265-I276 HydrophobicContact CG2-CG1 3.74Å; I265-I276 HydrophobicContact CG2-CG2 4.06Å; I265-L312 HydrophobicContact CG2-CD2 3.93Å
266	G	87.3	Confident	87.3	Confident	14 Å²	14	36.8 Å²	36.8	14%	0.144	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-63.6	-23.7	175.9	0	0	0	0	0	114.4	Y251 G264 I268	Y251-G266 WeakPolarHBondContact O-CA 3.42Å; Y251-G266 PolarHBondContact O-N 3.09Å; G264-G266 PolarHBondContact O-N 2.88Å; G266-I268 VanDerWaalsContact C-N 3.25Å; G266-I268 PolarHBondContact O-N 2.9Å
267	A	87.6	Confident	87.4	Confident	5 Å²	5	40.3 Å²	40.3	4%	0.041	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-79.7	-5.1	178.4	0	0	0	0	0	113.4	M221 F253 Y263 G264 I265 K269	M221-A267 HydrophobicContact CB-CB 4.43Å; F253-A267 HydrophobicContact CE2-CB 3.75Å; F253-A267 HydrophobicContact CZ-CB 3.7Å; Y263-A267 HydrophobicContact CD1-CB 4.22Å; Y263-A267 HydrophobicContact CE1-CB 3.82Å; G264-A267 WeakPolarHBondContact O-CB 3.48Å; G264-A267 PolarHBondContact O-N 2.72Å; G264-A267 VanDerWaalsContact O-N 3.11Å; I265-A267 PolarHBondContact O-N 3.43Å; A267-K269 PolarHBondContact O-N 3.22Å
268	I	88.6	Confident	87.7	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.01	21%	0.209	C	C	.	.	S	Bend	trans	-76.9	116.4	-178.5	-56.4	170.2	0	0	0	109.6	P244 I265 G266 G270 V271 L312 S315 L387	P244-I268 HydrophobicContact CB-CD1 3.96Å; P244-I268 HydrophobicContact CG-CD1 3.94Å; P244-I268 HydrophobicContact CG-CG1 4.2Å; I265-I268 HydrophobicContact CB-CD1 4.42Å; I265-I268 HydrophobicContact CG2-CD1 3.87Å; I265-I268 WeakPolarHBondContact O-CB 3.32Å; I265-I268 WeakPolarHBondContact O-CG1 3.34Å; I265-I268 PolarHBondContact O-N 2.91Å; G266-I268 VanDerWaalsContact C-N 3.25Å; G266-I268 PolarHBondContact O-N 2.9Å; I268-G270 PolarHBondContact O-N 3.08Å; I268-V271 HydrophobicContact CB-CB 4.33Å; I268-V271 HydrophobicContact CB-CG2 3.96Å; I268-V271 HydrophobicContact CG2-CG2 3.67Å; I268-V271 PolarHBondContact O-N 2.91Å; I268-V271 VanDerWaalsContact O-N 3.1Å; I268-L312 HydrophobicContact CD1-CD2 3.71Å; I268-S315 WeakPolarHBondContact CD1-OG 3.37Å; I268-L387 HydrophobicContact CG1-CD2 3.92Å
269	K	86.1	Confident	88	Confident	129 Å²	129	27.9 Å²	27.9	56%	0.561	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	111.9	-176.3	-170.8	179.9	-177.8	177.8	0	111.8	A267 K311 T386	A267-K269 PolarHBondContact O-N 3.22Å; K269-K311 WeakPolarHBondContact O-CD 3.36Å; K269-K311 WeakPolarHBondContact O-CE 3.41Å; K269-K311 PolarHBondContact O-NZ 2.91Å; K269-T386 WeakPolarHBondContact CB-O 3.24Å; K269-T386 PolarHBondContact N-O 2.93Å
270	G	84	Confident	88.3	Confident	43 Å²	43	28.3 Å²	28.3	44%	0.443	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	99.2	5.2	176.9	0	0	0	0	0	114.7	I268	I268-G270 PolarHBondContact O-N 3.08Å
271	V	86.3	Confident	88.3	Confident	13 Å²	13	32.6 Å²	32.6	8%	0.079	19%	0.191	C	C	.	.			trans	-97.6	120.1	165.1	-175.7	0	0	0	0	107.7	I268 P275 I276 V308 K311 L312	I268-V271 HydrophobicContact CB-CB 4.33Å; I268-V271 HydrophobicContact CB-CG2 3.96Å; I268-V271 HydrophobicContact CG2-CG2 3.67Å; I268-V271 PolarHBondContact O-N 2.91Å; I268-V271 VanDerWaalsContact O-N 3.1Å; V271-P275 HydrophobicContact CG1-CB 4.35Å; V271-I276 HydrophobicContact CG1-CD1 3.79Å; V271-I276 HydrophobicContact CG1-CG1 3.55Å; V271-V308 HydrophobicContact CG1-CG1 3.98Å; V271-V308 HydrophobicContact CG2-CG1 4.29Å; V271-K311 HydrophobicContact CG2-CB 4.26Å; V271-L312 HydrophobicContact CG2-CD2 4.22Å; V271-L312 HydrophobicContact CG2-CG 4.18Å
272	G	83.6	Confident	88.1	Confident	38 Å²	38	33.2 Å²	33.2	39%	0.392	20%	0.196	S	C	.	.			trans	-79.5	166	177.2	0	0	0	0	0	112.5	P275 I276	G272-P275 VanDerWaalsContact O-CD 3.3Å; G272-P275 WeakPolarHBondContact O-CD 3.29Å; G272-I276 WeakPolarHBondContact O-CD1 3.32Å; G272-I276 WeakPolarHBondContact O-CG1 3.36Å
273	E	86.6	Confident	88.1	Confident	106 Å²	106	34.5 Å²	34.5	50%	0.495	20%	0.201	S	C	.	.	H	α-helix	trans	-59.6	-47.6	177.2	-175	174.6	-164.1	0	0	112.6	Y251 I276 E277	Y251-E273 HydrophobicContact CD2-CG 4.44Å; Y251-E273 HydrophobicContact CE2-CB 4.04Å; Y251-E273 HydrophobicContact CE2-CG 3.86Å; E273-I276 WeakPolarHBondContact O-CA 3.49Å; E273-I276 WeakPolarHBondContact O-CB 3.19Å; E273-I276 PolarHBondContact O-N 2.97Å; E273-E277 HydrophobicContact CG-CG 4.31Å; E273-E277 PolarHBondContact O-N 3.46Å
274	G	87.2	Confident	88.1	Confident	38 Å²	38	40.1 Å²	40.1	39%	0.392	23%	0.231	S	C	.	.	H	α-helix	trans	-55.1	-47.9	-178.8	0	0	0	0	0	115.1	I276 E277 A278	G274-I276 VanDerWaalsContact C-N 3.28Å; G274-I276 PolarHBondContact O-N 3.18Å; G274-E277 PolarHBondContact O-N 2.95Å; G274-A278 WeakPolarHBondContact O-CB 3.16Å; G274-A278 PolarHBondContact O-N 3.45Å
275	P	88.1	Confident	88.1	Confident	23 Å²	23	49.3 Å²	49.3	15%	0.149	27%	0.271	C	S	.	.	H	α-helix	trans	-52.2	-41	169.6	-32.2	35.5	0	0	0	114.6	V271 G272 A278 I279 L304 V308	V271-P275 HydrophobicContact CG1-CB 4.35Å; G272-P275 VanDerWaalsContact O-CD 3.3Å; G272-P275 WeakPolarHBondContact O-CD 3.29Å; P275-A278 PolarHBondContact O-N 2.89Å; P275-I279 VanDerWaalsContact O-CG1 3.31Å; P275-I279 WeakPolarHBondContact O-CG1 3.29Å; P275-I279 PolarHBondContact O-N 3.32Å; P275-I279 VanDerWaalsContact O-N 3.07Å; P275-L304 HydrophobicContact CB-CD2 3.66Å; P275-V308 HydrophobicContact CB-CG1 4.11Å; P275-V308 HydrophobicContact CG-CG2 4.32Å
276	I	87.3	Confident	87.9	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-73.5	-43.7	-175.8	-58.9	166.3	0	0	0	110.4	Y251 I265 V271 G272 E273 G274 A278 I279 I280	Y251-I276 HydrophobicContact CD2-CB 4.19Å; Y251-I276 HydrophobicContact CD2-CD1 3.81Å; Y251-I276 HydrophobicContact CD2-CG2 3.95Å; Y251-I276 HydrophobicContact CE2-CD1 3.98Å; I265-I276 HydrophobicContact CB-CD1 4.36Å; I265-I276 HydrophobicContact CB-CG1 4.44Å; I265-I276 HydrophobicContact CB-CG2 4.03Å; I265-I276 HydrophobicContact CG2-CD1 3.96Å; I265-I276 HydrophobicContact CG2-CG1 3.74Å; I265-I276 HydrophobicContact CG2-CG2 4.06Å; V271-I276 HydrophobicContact CG1-CD1 3.79Å; V271-I276 HydrophobicContact CG1-CG1 3.55Å; G272-I276 WeakPolarHBondContact O-CD1 3.32Å; G272-I276 WeakPolarHBondContact O-CG1 3.36Å; E273-I276 WeakPolarHBondContact O-CA 3.49Å; E273-I276 WeakPolarHBondContact O-CB 3.19Å; E273-I276 PolarHBondContact O-N 2.97Å; G274-I276 VanDerWaalsContact C-N 3.28Å; G274-I276 PolarHBondContact O-N 3.18Å; I276-A278 VanDerWaalsContact C-N 3.26Å; I276-A278 PolarHBondContact O-N 3.44Å; I276-I279 PolarHBondContact O-N 2.92Å; I276-I280 HydrophobicContact CG2-CD1 3.82Å; I276-I280 HydrophobicContact CG2-CG1 4.44Å; I276-I280 WeakPolarHBondContact O-CG1 3.49Å; I276-I280 PolarHBondContact O-N 2.87Å
277	E	89.3	Confident	88.1	Confident	110 Å²	110	52.3 Å²	52.3	51%	0.514	30%	0.302	S	S	.	.	H	α-helix	trans	-57.6	-43	173.3	-68.5	-175.1	149.5	0	0	111	E273 G274 I279 I280 E281	E273-E277 HydrophobicContact CG-CG 4.31Å; E273-E277 PolarHBondContact O-N 3.46Å; G274-E277 PolarHBondContact O-N 2.95Å; E277-I279 PolarHBondContact O-N 3.45Å; E277-I280 PolarHBondContact O-N 3.49Å; E277-E281 VanDerWaalsContact O-CB 3.26Å; E277-E281 WeakPolarHBondContact O-CB 3.43Å; E277-E281 PolarHBondContact O-N 2.77Å
278	A	89.3	Confident	88.2	Confident	5 Å²	5	59.2 Å²	59.2	4%	0.041	33%	0.328	C	S	.	.	H	α-helix	trans	-62.1	-40.9	177.2	0	0	0	0	0	112.7	G274 P275 I276 A282 T299 K303	G274-A278 WeakPolarHBondContact O-CB 3.16Å; G274-A278 PolarHBondContact O-N 3.45Å; P275-A278 PolarHBondContact O-N 2.89Å; I276-A278 VanDerWaalsContact C-N 3.26Å; I276-A278 PolarHBondContact O-N 3.44Å; A278-A282 VanDerWaalsContact O-CB 3.27Å; A278-A282 WeakPolarHBondContact O-CB 3.34Å; A278-A282 PolarHBondContact O-N 2.88Å; A278-T299 HydrophobicContact CB-CG2 4.09Å; A278-K303 HydrophobicContact CB-CB 4.2Å; A278-K303 HydrophobicContact CB-CD 3.58Å
279	I	89.6	Confident	88.1	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-62.6	-47.4	175.1	-71.7	164.2	0	0	0	110.5	I246 P275 I276 E277 A282 R283 F289 L304 L312	I246-I279 HydrophobicContact CG2-CG2 3.74Å; P275-I279 VanDerWaalsContact O-CG1 3.31Å; P275-I279 WeakPolarHBondContact O-CG1 3.29Å; P275-I279 PolarHBondContact O-N 3.32Å; P275-I279 VanDerWaalsContact O-N 3.07Å; I276-I279 PolarHBondContact O-N 2.92Å; E277-I279 PolarHBondContact O-N 3.45Å; I279-A282 PolarHBondContact O-N 2.89Å; I279-R283 WeakPolarHBondContact O-CB 3.37Å; I279-R283 PolarHBondContact O-N 2.93Å; I279-F289 HydrophobicContact CG2-CE2 4.14Å; I279-L304 HydrophobicContact CD1-CD1 4.09Å; I279-L304 HydrophobicContact CD1-CD2 3.82Å; I279-L304 HydrophobicContact CG1-CD1 3.7Å; I279-L304 HydrophobicContact CG1-CD2 3.93Å; I279-L304 HydrophobicContact CG1-CG 4.35Å; I279-L312 HydrophobicContact CD1-CD1 3.89Å
280	I	89.8	Confident	88	Confident	30 Å²	30	61.2 Å²	61.2	15%	0.154	33%	0.332	C	S	.	.	H	α-helix	trans	-66.2	-40.9	-179	-66.1	168.4	0	0	0	110.5	I276 E277 R283 N284	I276-I280 HydrophobicContact CG2-CD1 3.82Å; I276-I280 HydrophobicContact CG2-CG1 4.44Å; I276-I280 WeakPolarHBondContact O-CG1 3.49Å; I276-I280 PolarHBondContact O-N 2.87Å; E277-I280 PolarHBondContact O-N 3.49Å; I280-R283 PolarHBondContact O-N 3.19Å; I280-N284 WeakPolarHBondContact O-CB 3.43Å; I280-N284 PolarHBondContact O-N 3.2Å; I280-N284 PolarHBondContact O-ND2 2.9Å; I280-N284 PolarHBondContact O-OD1 3.28Å
281	E	90.6	Very high	87.9	Confident	124 Å²	124	62.9 Å²	62.9	58%	0.579	33%	0.328	S	S	*	.	H	α-helix	trans	-62.7	-47.9	176.1	-173	-178.7	-172.1	0	0	111.2	E277 R283 N284 K285	E277-E281 VanDerWaalsContact O-CB 3.26Å; E277-E281 WeakPolarHBondContact O-CB 3.43Å; E277-E281 PolarHBondContact O-N 2.77Å; E281-R283 VanDerWaalsContact C-N 3.31Å; E281-R283 PolarHBondContact O-N 3.01Å; E281-N284 PolarHBondContact O-N 3.35Å; E281-K285 WeakPolarHBondContact O-CB 3.42Å; E281-K285 PolarHBondContact O-N 3.39Å
282	A	90	Very high	87.8	Confident	13 Å²	13	62.2 Å²	62.2	11%	0.107	32%	0.324	C	S	.	.	H	α-helix	trans	-61	-39.7	176.2	0	0	0	0	0	111.9	A278 I279 K285 G286 F289 R298 T299	A278-A282 VanDerWaalsContact O-CB 3.27Å; A278-A282 WeakPolarHBondContact O-CB 3.34Å; A278-A282 PolarHBondContact O-N 2.88Å; I279-A282 PolarHBondContact O-N 2.89Å; A282-K285 PolarHBondContact O-N 3Å; A282-G286 PolarHBondContact O-N 3.12Å; A282-F289 HydrophobicContact CB-CE1 4.27Å; A282-F289 HydrophobicContact CB-CZ 3.96Å; A282-R298 HydrophobicContact CB-CB 4.41Å; A282-T299 HydrophobicContact CB-CG2 4.1Å
283	R	90.6	Very high	87.7	Confident	30 Å²	30	62.2 Å²	62.2	11%	0.113	31%	0.313	C	S	.	.	H	α-helix	trans	-64.8	-45.3	174	-170.4	-173	63.5	-162.3	-3.2	112.2	I246 N247 G249 I279 I280 E281 K285 G286 G287 F289	I246-R283 PolarHBondContact O-NH1 2.91Å; N247-R283 VanDerWaalsContact O-CD 3.24Å; N247-R283 WeakPolarHBondContact O-CD 3.34Å; N247-R283 PolarHBondContact O-NH1 3.37Å; G249-R283 PolarHBondContact O-NH1 3.13Å; I279-R283 WeakPolarHBondContact O-CB 3.37Å; I279-R283 PolarHBondContact O-N 2.93Å; I280-R283 PolarHBondContact O-N 3.19Å; E281-R283 VanDerWaalsContact C-N 3.31Å; E281-R283 PolarHBondContact O-N 3.01Å; R283-K285 PolarHBondContact O-N 3.35Å; R283-G286 PolarHBondContact O-N 2.7Å; R283-G287 WeakPolarHBondContact CA-O 3Å; R283-G287 CarbonylContact O-C 3.56Å; R283-G287 VanDerWaalsContact O-CA 3.24Å; R283-G287 WeakPolarHBondContact O-CA 3.45Å; R283-G287 PolarHBondContact O-N 3.38Å; R283-G287 VanDerWaalsContact O-O 3.09Å; R283-F289 HydrophobicContact CB-CE2 3.68Å; R283-F289 HydrophobicContact CB-CZ 4.01Å; R283-F289 HydrophobicContact CG-CE2 4.13Å
284	N	90	Very high	87.6	Confident	120 Å²	120	58.9 Å²	58.9	64%	0.642	30%	0.299	S	S	*	.	H	α-helix	trans	-65.5	-31	-179.9	-68.4	-16.9	0	0	0	111.6	I280 E281	I280-N284 WeakPolarHBondContact O-CB 3.43Å; I280-N284 PolarHBondContact O-N 3.2Å; I280-N284 PolarHBondContact O-ND2 2.9Å; I280-N284 PolarHBondContact O-OD1 3.28Å; E281-N284 PolarHBondContact O-N 3.35Å
285	K	89.9	Confident	87.5	Confident	193 Å²	193	57.1 Å²	57.1	84%	0.839	28%	0.28	S	S	*	.	H	α-helix	trans	-80.8	-40.6	177	-170	179.1	178.3	-174.6	0	113.3	E281 A282 R283	E281-K285 WeakPolarHBondContact O-CB 3.42Å; E281-K285 PolarHBondContact O-N 3.39Å; A282-K285 PolarHBondContact O-N 3Å; R283-K285 PolarHBondContact O-N 3.35Å
286	G	84.3	Confident	87.3	Confident	40 Å²	40	56.3 Å²	56.3	41%	0.412	28%	0.275	S	S	.	.	H	α-helix	trans	-104.6	-6	-172	0	0	0	0	0	116	A282 R283 R298	A282-G286 PolarHBondContact O-N 3.12Å; R283-G286 PolarHBondContact O-N 2.7Å; G286-R298 VanDerWaalsContact C-NH1 3.32Å; G286-R298 PolarHBondContact O-NH1 3.41Å
287	G	90.7	Very high	87.1	Confident	36 Å²	36	59 Å²	59	37%	0.371	30%	0.297	S	S	.	.			trans	79.2	-164.4	-167.5	0	0	0	0	0	112.4	R283 R298	R283-G287 WeakPolarHBondContact CA-O 3Å; R283-G287 CarbonylContact O-C 3.56Å; R283-G287 VanDerWaalsContact O-CA 3.24Å; R283-G287 WeakPolarHBondContact O-CA 3.45Å; R283-G287 PolarHBondContact O-N 3.38Å; R283-G287 VanDerWaalsContact O-O 3.09Å; G287-R298 PolarHBondContact O-NH1 2.96Å
288	Y	89.5	Confident	86.8	Confident	150 Å²	150	57.8 Å²	57.8	59%	0.588	29%	0.288	S	S	*	.	S	Bend	trans	-61.5	146.4	178	65.7	-89.1	0	0	0	111.2	R290 R298	Y288-R290 HydrophobicContact CD2-CG 4.31Å; Y288-R290 HydrophobicContact CE2-CG 3.84Å; Y288-R298 PolarHBondContact O-NH1 2.8Å
289	F	87.8	Confident	86.5	Confident	1 Å²	1	58 Å²	58	0%	0.004	29%	0.289	C	S	.	.			trans	-77.7	130.6	171.7	-58.1	-76.7	0	0	0	108.9	I246 N247 I279 A282 R283 L295 R298 L321	I246-F289 HydrophobicContact CG2-CD2 3.52Å; I246-F289 HydrophobicContact CG2-CE2 3.69Å; I246-F289 HydrophobicContact CG2-CG 4.5Å; N247-F289 PolarHBondContact ND2-O 3.32Å; N247-F289 PolarHBondContact OD1-N 3.2Å; I279-F289 HydrophobicContact CG2-CE2 4.14Å; A282-F289 HydrophobicContact CB-CE1 4.27Å; A282-F289 HydrophobicContact CB-CZ 3.96Å; R283-F289 HydrophobicContact CB-CE2 3.68Å; R283-F289 HydrophobicContact CB-CZ 4.01Å; R283-F289 HydrophobicContact CG-CE2 4.13Å; F289-L295 HydrophobicContact CD1-CB 3.91Å; F289-L295 HydrophobicContact CD1-CD1 3.64Å; F289-L295 HydrophobicContact CD1-CG 4.4Å; F289-L295 HydrophobicContact CD2-CD1 3.96Å; F289-L295 HydrophobicContact CE1-CB 4.36Å; F289-L295 HydrophobicContact CE1-CD1 3.35Å; F289-L295 HydrophobicContact CE1-CG 4.42Å; F289-L295 HydrophobicContact CE2-CD1 3.65Å; F289-L295 HydrophobicContact CG-CB 4.25Å; F289-L295 HydrophobicContact CG-CD1 3.92Å; F289-L295 HydrophobicContact CZ-CD1 3.34Å; F289-R298 HydrophobicContact CE1-CB 4.13Å; F289-L321 HydrophobicContact CB-CD2 4.3Å; F289-L321 WeakPolarHBondContact O-CD2 3.5Å
290	R	83.1	Confident	85.7	Confident	172 Å²	172	62 Å²	62	65%	0.649	31%	0.31	S	S	*	.			trans	-81.6	-44.9	-179.2	-62	-177.7	-179.7	-176.4	1.6	111.6	Y288 D294 L321	Y288-R290 HydrophobicContact CD2-CG 4.31Å; Y288-R290 HydrophobicContact CE2-CG 3.84Å; R290-D294 PolarHBondContact N-OD2 3.18Å; R290-L321 WeakPolarHBondContact O-CD2 3.11Å
291	E	82.8	Confident	84.9	Confident	78 Å²	78	62.3 Å²	62.3	36%	0.364	31%	0.314	S	S	.	.	S	Bend	trans	-147.9	172.5	-173.4	-63.6	-175.2	164.6	0	0	110.7	F293 D294 L295	E291-F293 VanDerWaalsContact C-N 3.3Å; E291-F293 PolarHBondContact O-N 2.9Å; E291-D294 PolarHBondContact O-N 2.93Å; E291-L295 PolarHBondContact O-N 3.16Å
292	L	83.9	Confident	84.2	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-58.6	-40	177.8	179.2	62.8	0	0	0	112.7	L295 C296 F318 L328 S331 L332 A335	L292-L295 PolarHBondContact O-N 3.29Å; L292-C296 PolarHBondContact O-N 3.16Å; L292-C296 PolarHBondContact O-SG 2.99Å; L292-F318 HydrophobicContact CD1-CD1 4.01Å; L292-F318 HydrophobicContact CD1-CE1 3.54Å; L292-F318 HydrophobicContact CD1-CZ 4.08Å; L292-L328 HydrophobicContact CB-CD2 3.97Å; L292-L328 HydrophobicContact CD2-CD2 3.96Å; L292-L328 HydrophobicContact CG-CD2 4.47Å; L292-S331 WeakPolarHBondContact CD2-OG 3.41Å; L292-L332 HydrophobicContact CD1-CD2 3.94Å; L292-L332 HydrophobicContact CD2-CD2 4.06Å; L292-L332 HydrophobicContact CD2-CG 4.49Å; L292-L332 HydrophobicContact CG-CD2 4.5Å; L292-A335 HydrophobicContact CD2-CB 4.38Å; L292-A335 HydrophobicContact CG-CB 4.31Å
293	F	81.7	Confident	83.7	Confident	38 Å²	38	69.3 Å²	69.3	17%	0.167	34%	0.34	C	S	.	.	H	α-helix	trans	-65.6	-40.4	178.3	-76.5	-97.5	0	0	0	111.9	E291 L295 C296 A297 A335 A338 I364	E291-F293 VanDerWaalsContact C-N 3.3Å; E291-F293 PolarHBondContact O-N 2.9Å; F293-L295 VanDerWaalsContact C-N 3.31Å; F293-L295 PolarHBondContact O-N 3.15Å; F293-C296 PolarHBondContact O-N 3.1Å; F293-A297 WeakPolarHBondContact O-CB 3.33Å; F293-A297 PolarHBondContact O-N 3.41Å; F293-A335 HydrophobicContact CD1-CB 3.86Å; F293-A335 HydrophobicContact CD2-CB 4.22Å; F293-A335 HydrophobicContact CE1-CB 3.78Å; F293-A335 HydrophobicContact CE2-CB 4.11Å; F293-A335 HydrophobicContact CG-CB 4.1Å; F293-A335 HydrophobicContact CZ-CB 3.9Å; F293-A338 HydrophobicContact CD1-CB 4.31Å; F293-A338 HydrophobicContact CE1-CB 4.19Å; F293-I364 HydrophobicContact CD1-CD1 4.32Å; F293-I364 HydrophobicContact CD2-CD1 3.78Å; F293-I364 HydrophobicContact CD2-CG1 4.46Å; F293-I364 HydrophobicContact CD2-CG2 4.09Å; F293-I364 HydrophobicContact CE1-CD1 4.22Å; F293-I364 HydrophobicContact CE2-CB 4.41Å; F293-I364 HydrophobicContact CE2-CD1 3.7Å; F293-I364 HydrophobicContact CE2-CG1 3.91Å; F293-I364 HydrophobicContact CE2-CG2 3.61Å; F293-I364 HydrophobicContact CG-CD1 4.11Å; F293-I364 HydrophobicContact CZ-CD1 3.92Å; F293-I364 HydrophobicContact CZ-CG1 4.02Å; F293-I364 HydrophobicContact CZ-CG2 4.45Å
294	D	84.2	Confident	83.4	Confident	36 Å²	36	68.1 Å²	68.1	19%	0.193	34%	0.336	C	S	.	.	H	α-helix	trans	-62.9	-37.9	177.1	-173.9	40.1	0	0	0	111.5	R290 E291 R298	R290-D294 PolarHBondContact N-OD2 3.18Å; E291-D294 PolarHBondContact O-N 2.93Å; D294-R298 VanDerWaalsContact CG-CZ 3.48Å; D294-R298 VanDerWaalsContact CG-NH2 3.25Å; D294-R298 WeakPolarHBondContact O-CB 3.5Å; D294-R298 VanDerWaalsContact O-CG 3.22Å; D294-R298 WeakPolarHBondContact O-CG 3.5Å; D294-R298 PolarHBondContact O-N 2.93Å; D294-R298 VanDerWaalsContact O-N 3.14Å; D294-R298 IonicContact OD1-CZ 3.82Å; D294-R298 IonicContact OD1-NE 3.21Å; D294-R298 PolarHBondContact OD1-NE 3.23Å; D294-R298 IonicContact OD1-NH2 3.9Å; D294-R298 PolarHBondContact OD1-NH2 2.66Å; D294-R298 IonicContact OD2-CZ 2.69Å; D294-R298 IonicContact OD2-NE 3.64Å; D294-R298 IonicContact OD2-NH1 3.95Å; D294-R298 IonicContact OD2-NH2 2.73Å; D294-R298 PolarHBondContact OD2-NH2 2.91Å
295	L	85.7	Confident	83.1	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-64.5	-49.7	170.7	178.9	72.1	0	0	0	111.6	I246 F289 E291 L292 F293 A297 R298 T299 L309 F318	I246-L295 HydrophobicContact CD1-CD2 3.96Å; I246-L295 HydrophobicContact CG2-CD1 4.27Å; F289-L295 HydrophobicContact CD1-CB 3.91Å; F289-L295 HydrophobicContact CD1-CD1 3.64Å; F289-L295 HydrophobicContact CD1-CG 4.4Å; F289-L295 HydrophobicContact CD2-CD1 3.96Å; F289-L295 HydrophobicContact CE1-CB 4.36Å; F289-L295 HydrophobicContact CE1-CD1 3.35Å; F289-L295 HydrophobicContact CE1-CG 4.42Å; F289-L295 HydrophobicContact CE2-CD1 3.65Å; F289-L295 HydrophobicContact CG-CB 4.25Å; F289-L295 HydrophobicContact CG-CD1 3.92Å; F289-L295 HydrophobicContact CZ-CD1 3.34Å; E291-L295 PolarHBondContact O-N 3.16Å; L292-L295 PolarHBondContact O-N 3.29Å; F293-L295 VanDerWaalsContact C-N 3.31Å; F293-L295 PolarHBondContact O-N 3.15Å; L295-A297 VanDerWaalsContact C-N 3.27Å; L295-A297 PolarHBondContact O-N 3.29Å; L295-R298 PolarHBondContact O-N 3.44Å; L295-T299 WeakPolarHBondContact CD1-OG1 3.17Å; L295-T299 PolarHBondContact O-N 3.02Å; L295-T299 VanDerWaalsContact O-N 3.13Å; L295-T299 PolarHBondContact O-OG1 3.23Å; L295-L309 HydrophobicContact CD2-CD2 4.32Å; L295-F318 HydrophobicContact CD2-CE1 3.22Å; L295-F318 HydrophobicContact CD2-CZ 3.27Å
296	C	84	Confident	83	Confident	6 Å²	6	62.3 Å²	62.3	4%	0.041	31%	0.305	C	S	.	.	H	α-helix	trans	-63	-35.1	-177	-65.4	0	0	0	0	111.9	L292 F293 T299 A339	L292-C296 PolarHBondContact O-N 3.16Å; L292-C296 PolarHBondContact O-SG 2.99Å; F293-C296 PolarHBondContact O-N 3.1Å; C296-T299 VanDerWaalsContact O-O 3.06Å; C296-A339 HydrophobicContact CB-CB 3.88Å; C296-A339 VanDerWaalsContact O-CB 3.26Å; C296-A339 WeakPolarHBondContact O-CB 3.46Å
297	A	82.2	Confident	83.2	Confident	56 Å²	56	68.5 Å²	68.5	46%	0.463	32%	0.316	S	S	.	.	H	α-helix	trans	-72.8	-37.8	177.9	0	0	0	0	0	113	F293 L295	F293-A297 WeakPolarHBondContact O-CB 3.33Å; F293-A297 PolarHBondContact O-N 3.41Å; L295-A297 VanDerWaalsContact C-N 3.27Å; L295-A297 PolarHBondContact O-N 3.29Å
298	R	83.6	Confident	83.2	Confident	85 Å²	85	67.1 Å²	67.1	32%	0.321	30%	0.301	S	S	.	.	H	α-helix	trans	-80	-19.4	-177.7	-71.2	178	-170	-175.5	6.9	114.4	A282 G286 G287 Y288 F289 D294 L295	A282-R298 HydrophobicContact CB-CB 4.41Å; G286-R298 VanDerWaalsContact C-NH1 3.32Å; G286-R298 PolarHBondContact O-NH1 3.41Å; G287-R298 PolarHBondContact O-NH1 2.96Å; Y288-R298 PolarHBondContact O-NH1 2.8Å; F289-R298 HydrophobicContact CE1-CB 4.13Å; D294-R298 VanDerWaalsContact CG-CZ 3.48Å; D294-R298 VanDerWaalsContact CG-NH2 3.25Å; D294-R298 WeakPolarHBondContact O-CB 3.5Å; D294-R298 VanDerWaalsContact O-CG 3.22Å; D294-R298 WeakPolarHBondContact O-CG 3.5Å; D294-R298 PolarHBondContact O-N 2.93Å; D294-R298 VanDerWaalsContact O-N 3.14Å; D294-R298 IonicContact OD1-CZ 3.82Å; D294-R298 IonicContact OD1-NE 3.21Å; D294-R298 PolarHBondContact OD1-NE 3.23Å; D294-R298 IonicContact OD1-NH2 3.9Å; D294-R298 PolarHBondContact OD1-NH2 2.66Å; D294-R298 IonicContact OD2-CZ 2.69Å; D294-R298 IonicContact OD2-NE 3.64Å; D294-R298 IonicContact OD2-NH1 3.95Å; D294-R298 IonicContact OD2-NH2 2.73Å; D294-R298 PolarHBondContact OD2-NH2 2.91Å; L295-R298 PolarHBondContact O-N 3.44Å
299	T	82.2	Confident	83.3	Confident	10 Å²	10	60.1 Å²	60.1	6%	0.061	27%	0.273	C	S	.	.	S	Bend	trans	-116	133.1	-174	-15.8	0	0	0	0	110.3	A278 A282 L295 C296 T301 L304	A278-T299 HydrophobicContact CB-CG2 4.09Å; A282-T299 HydrophobicContact CB-CG2 4.1Å; L295-T299 WeakPolarHBondContact CD1-OG1 3.17Å; L295-T299 PolarHBondContact O-N 3.02Å; L295-T299 VanDerWaalsContact O-N 3.13Å; L295-T299 PolarHBondContact O-OG1 3.23Å; C296-T299 VanDerWaalsContact O-O 3.06Å; T299-T301 PolarHBondContact O-N 3.4Å; T299-L304 HydrophobicContact CG2-CD1 3.71Å; T299-L304 HydrophobicContact CG2-CG 4.01Å
300	D	73.4	Confident	83.5	Confident	83 Å²	83	62.5 Å²	62.5	44%	0.444	28%	0.284	S	S	.	.			trans	-59.6	121.5	179.2	-177	-5	0	0	0	110.9	K302 K303 L304	D300-K302 PolarHBondContact O-N 3.07Å; D300-K302 VanDerWaalsContact O-N 3.12Å; D300-K302 WeakPolarHBondContact OD1-CB 3.47Å; D300-K302 WeakPolarHBondContact OD1-CG 3.37Å; D300-K302 PolarHBondContact OD1-N 2.99Å; D300-K303 HydrophobicContact CB-CG 4.33Å; D300-K303 WeakPolarHBondContact O-CA 3.37Å; D300-K303 PolarHBondContact O-N 3.04Å; D300-L304 PolarHBondContact O-N 2.82Å
301	T	73.6	Confident	83.9	Confident	38 Å²	38	55.5 Å²	55.5	23%	0.233	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.4	178.4	57.3	0	0	0	0	112.7	T299 L304 L336 A339	T299-T301 PolarHBondContact O-N 3.4Å; T301-L304 CarbonylContact O-C 3.6Å; T301-L336 HydrophobicContact CG2-CD2 3.99Å; T301-A339 HydrophobicContact CG2-CB 4.15Å
302	K	76	Confident	84.3	Confident	182 Å²	182	51.8 Å²	51.8	79%	0.791	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-32.9	170.7	-64.4	-176.2	-179.4	176	0	112.7	D300	D300-K302 PolarHBondContact O-N 3.07Å; D300-K302 VanDerWaalsContact O-N 3.12Å; D300-K302 WeakPolarHBondContact OD1-CB 3.47Å; D300-K302 WeakPolarHBondContact OD1-CG 3.37Å; D300-K302 PolarHBondContact OD1-N 2.99Å
303	K	78.1	Confident	84.7	Confident	101 Å²	101	51.8 Å²	51.8	44%	0.439	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-43.8	176.1	-63.5	-170.5	-176.7	-178.3	0	110.6	A278 D300 N305	A278-K303 HydrophobicContact CB-CB 4.2Å; A278-K303 HydrophobicContact CB-CD 3.58Å; D300-K303 HydrophobicContact CB-CG 4.33Å; D300-K303 WeakPolarHBondContact O-CA 3.37Å; D300-K303 PolarHBondContact O-N 3.04Å; K303-N305 PolarHBondContact O-N 3.38Å
304	L	84.2	Confident	85.1	Confident	6 Å²	6	51.8 Å²	51.8	3%	0.031	24%	0.242	C	C	.	.	S	Bend	trans	-98.4	83	176	-63.9	-168.6	0	0	0	111.4	P275 I279 T299 D300 T301 V308 L309	P275-L304 HydrophobicContact CB-CD2 3.66Å; I279-L304 HydrophobicContact CD1-CD1 4.09Å; I279-L304 HydrophobicContact CD1-CD2 3.82Å; I279-L304 HydrophobicContact CG1-CD1 3.7Å; I279-L304 HydrophobicContact CG1-CD2 3.93Å; I279-L304 HydrophobicContact CG1-CG 4.35Å; T299-L304 HydrophobicContact CG2-CD1 3.71Å; T299-L304 HydrophobicContact CG2-CG 4.01Å; D300-L304 PolarHBondContact O-N 2.82Å; T301-L304 CarbonylContact O-C 3.6Å; L304-V308 HydrophobicContact CD2-CG1 4.23Å; L304-L309 HydrophobicContact CB-CD2 4.42Å; L304-L309 HydrophobicContact CD1-CD2 4.23Å
305	N	84.2	Confident	85.4	Confident	78 Å²	78	50 Å²	50	42%	0.417	23%	0.233	S	C	.	.			trans	-70.2	160.6	173.7	71.8	37.5	0	0	0	111.7	K303 R307 V308 L309	K303-N305 PolarHBondContact O-N 3.38Å; N305-R307 VanDerWaalsContact C-N 3.26Å; N305-R307 PolarHBondContact O-N 3.48Å; N305-R307 WeakPolarHBondContact OD1-CB 3.47Å; N305-R307 PolarHBondContact OD1-N 3.4Å; N305-R307 VanDerWaalsContact OD1-N 3.14Å; N305-V308 PolarHBondContact O-N 2.66Å; N305-V308 VanDerWaalsContact O-N 3.08Å; N305-V308 WeakPolarHBondContact OD1-CG2 3.27Å; N305-V308 PolarHBondContact OD1-N 2.85Å; N305-L309 PolarHBondContact O-N 3.3Å
306	R	88	Confident	85.6	Confident	112 Å²	112	50.1 Å²	50.1	42%	0.423	23%	0.234	S	C	.	.	H	α-helix	trans	-51.8	-43.3	179	-175.3	178.6	175.7	104	5.9	112.9	V308 L309 E310 L336	R306-V308 VanDerWaalsContact C-N 3.3Å; R306-V308 PolarHBondContact O-N 3.38Å; R306-L309 PolarHBondContact O-N 3.46Å; R306-E310 HydrophobicContact CG-CG 4.22Å; R306-E310 WeakPolarHBondContact CG-OE1 3.24Å; R306-E310 IonicContact CZ-OE1 3.68Å; R306-E310 IonicContact NE-OE1 3.3Å; R306-E310 PolarHBondContact NE-OE1 3.38Å; R306-E310 IonicContact NH2-OE1 2.85Å; R306-E310 VanDerWaalsContact O-CG 3.28Å; R306-E310 WeakPolarHBondContact O-CG 3.36Å; R306-E310 PolarHBondContact O-N 2.94Å; R306-L336 HydrophobicContact CB-CD1 3.92Å; R306-L336 HydrophobicContact CG-CD1 4.19Å
307	R	88.9	Confident	85.9	Confident	171 Å²	171	49.9 Å²	49.9	65%	0.645	23%	0.232	S	C	*	.	H	α-helix	trans	-61.8	-35.8	-178.9	-178.9	-179.4	173.8	-165.7	-2.2	112.8	N305 K311	N305-R307 VanDerWaalsContact C-N 3.26Å; N305-R307 PolarHBondContact O-N 3.48Å; N305-R307 WeakPolarHBondContact OD1-CB 3.47Å; N305-R307 PolarHBondContact OD1-N 3.4Å; N305-R307 VanDerWaalsContact OD1-N 3.14Å; R307-K311 WeakPolarHBondContact O-CG 3.3Å; R307-K311 PolarHBondContact O-N 2.8Å
308	V	90.5	Very high	86.3	Confident	7 Å²	7	47.2 Å²	47.2	4%	0.042	21%	0.21	C	C	.	.	H	α-helix	trans	-69.2	-45	175.6	168.5	0	0	0	0	110.3	V271 P275 L304 N305 R306 K311 L312	V271-V308 HydrophobicContact CG1-CG1 3.98Å; V271-V308 HydrophobicContact CG2-CG1 4.29Å; P275-V308 HydrophobicContact CB-CG1 4.11Å; P275-V308 HydrophobicContact CG-CG2 4.32Å; L304-V308 HydrophobicContact CD2-CG1 4.23Å; N305-V308 PolarHBondContact O-N 2.66Å; N305-V308 VanDerWaalsContact O-N 3.08Å; N305-V308 WeakPolarHBondContact OD1-CG2 3.27Å; N305-V308 PolarHBondContact OD1-N 2.85Å; R306-V308 VanDerWaalsContact C-N 3.3Å; R306-V308 PolarHBondContact O-N 3.38Å; V308-K311 PolarHBondContact O-N 2.82Å; V308-L312 HydrophobicContact CG1-CD1 3.9Å; V308-L312 HydrophobicContact CG1-CG 4.4Å; V308-L312 WeakPolarHBondContact O-CG 3.4Å; V308-L312 PolarHBondContact O-N 3.02Å
309	L	90.7	Very high	86.5	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-62.9	-43	178.4	-66	172.1	0	0	0	112.1	L295 L304 N305 R306 K311 L312 I313 F318 L332 L336	L295-L309 HydrophobicContact CD2-CD2 4.32Å; L304-L309 HydrophobicContact CB-CD2 4.42Å; L304-L309 HydrophobicContact CD1-CD2 4.23Å; N305-L309 PolarHBondContact O-N 3.3Å; R306-L309 PolarHBondContact O-N 3.46Å; L309-K311 VanDerWaalsContact C-N 3.31Å; L309-K311 PolarHBondContact O-N 3.04Å; L309-L312 PolarHBondContact O-N 2.86Å; L309-I313 WeakPolarHBondContact O-CG1 3.41Å; L309-I313 PolarHBondContact O-N 2.86Å; L309-F318 HydrophobicContact CD2-CE2 4.34Å; L309-F318 HydrophobicContact CD2-CZ 3.84Å; L309-L332 HydrophobicContact CB-CD1 4.16Å; L309-L332 HydrophobicContact CB-CD2 3.74Å; L309-L332 HydrophobicContact CD1-CD2 3.99Å; L309-L332 HydrophobicContact CG-CD2 4.4Å; L309-L336 HydrophobicContact CD1-CD1 4.15Å; L309-L336 HydrophobicContact CD1-CD2 3.66Å; L309-L336 HydrophobicContact CD1-CG 4.08Å
310	E	91.6	Very high	86.6	Confident	51 Å²	51	54 Å²	54	24%	0.238	24%	0.24	C	C	.	.	H	α-helix	trans	-56.6	-45.5	174.7	-71.6	178.4	176.4	0	0	111.3	R306 I313 M314 M329 L332	R306-E310 HydrophobicContact CG-CG 4.22Å; R306-E310 WeakPolarHBondContact CG-OE1 3.24Å; R306-E310 IonicContact CZ-OE1 3.68Å; R306-E310 IonicContact NE-OE1 3.3Å; R306-E310 PolarHBondContact NE-OE1 3.38Å; R306-E310 IonicContact NH2-OE1 2.85Å; R306-E310 VanDerWaalsContact O-CG 3.28Å; R306-E310 WeakPolarHBondContact O-CG 3.36Å; R306-E310 PolarHBondContact O-N 2.94Å; E310-I313 PolarHBondContact O-N 3.44Å; E310-M314 WeakPolarHBondContact O-CB 3.26Å; E310-M314 VanDerWaalsContact O-CG 3.3Å; E310-M314 WeakPolarHBondContact O-CG 3.27Å; E310-M314 PolarHBondContact O-N 3.4Å; E310-M329 HydrophobicContact CB-CE 3.75Å; E310-M329 HydrophobicContact CB-SD 4.12Å; E310-M329 HydrophobicContact CG-CE 3.41Å; E310-M329 VanDerWaalsContact CG-CE 3.41Å; E310-M329 HydrophobicContact CG-SD 3.83Å; E310-L332 HydrophobicContact CG-CD1 3.82Å
311	K	91.9	Very high	87	Confident	25 Å²	25	50.7 Å²	50.7	11%	0.109	22%	0.222	C	C	.	.	H	α-helix	trans	-65.7	-39.7	177.4	-76.2	179.4	164.1	-71.5	0	113.2	K269 V271 R307 V308 L309 I313 M314 S315 T386	K269-K311 WeakPolarHBondContact O-CD 3.36Å; K269-K311 WeakPolarHBondContact O-CE 3.41Å; K269-K311 PolarHBondContact O-NZ 2.91Å; V271-K311 HydrophobicContact CG2-CB 4.26Å; R307-K311 WeakPolarHBondContact O-CG 3.3Å; R307-K311 PolarHBondContact O-N 2.8Å; V308-K311 PolarHBondContact O-N 2.82Å; L309-K311 VanDerWaalsContact C-N 3.31Å; L309-K311 PolarHBondContact O-N 3.04Å; K311-I313 VanDerWaalsContact C-N 3.34Å; K311-M314 PolarHBondContact O-N 3.11Å; K311-S315 WeakPolarHBondContact O-CB 3.48Å; K311-S315 PolarHBondContact O-N 3.36Å; K311-S315 PolarHBondContact O-OG 3.27Å; K311-T386 HydrophobicContact CB-CG2 4.28Å; K311-T386 HydrophobicContact CG-CG2 4.33Å
312	L	91.8	Very high	87.1	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-65.9	-35.9	176.1	-76	170.7	0	0	0	111.8	I265 I268 V271 I279 V308 L309 S315 G316 A317 F318	I265-L312 HydrophobicContact CG2-CD2 3.93Å; I268-L312 HydrophobicContact CD1-CD2 3.71Å; V271-L312 HydrophobicContact CG2-CD2 4.22Å; V271-L312 HydrophobicContact CG2-CG 4.18Å; I279-L312 HydrophobicContact CD1-CD1 3.89Å; V308-L312 HydrophobicContact CG1-CD1 3.9Å; V308-L312 HydrophobicContact CG1-CG 4.4Å; V308-L312 WeakPolarHBondContact O-CG 3.4Å; V308-L312 PolarHBondContact O-N 3.02Å; L309-L312 PolarHBondContact O-N 2.86Å; L312-S315 PolarHBondContact O-OG 3.2Å; L312-G316 PolarHBondContact O-N 2.91Å; L312-A317 HydrophobicContact CB-CB 4.14Å; L312-A317 HydrophobicContact CD2-CB 3.88Å; L312-A317 WeakPolarHBondContact O-CB 3.1Å; L312-A317 PolarHBondContact O-N 3.17Å; L312-F318 HydrophobicContact CB-CD2 3.82Å; L312-F318 HydrophobicContact CB-CE2 3.39Å; L312-F318 HydrophobicContact CB-CZ 4.5Å; L312-F318 HydrophobicContact CD1-CE2 4.16Å; L312-F318 HydrophobicContact CG-CE2 4.41Å
313	I	92.1	Very high	87	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-67.5	-48.6	172.9	-67.3	174.5	0	0	0	109.7	L309 E310 K311 S315 G316 F318 R325 L328 M329 L332	L309-I313 WeakPolarHBondContact O-CG1 3.41Å; L309-I313 PolarHBondContact O-N 2.86Å; E310-I313 PolarHBondContact O-N 3.44Å; K311-I313 VanDerWaalsContact C-N 3.34Å; I313-S315 PolarHBondContact O-N 3.02Å; I313-G316 PolarHBondContact O-N 3.45Å; I313-F318 HydrophobicContact CB-CD2 4.32Å; I313-F318 HydrophobicContact CG1-CB 4.24Å; I313-F318 HydrophobicContact CG1-CD2 3.46Å; I313-F318 VanDerWaalsContact CG1-CD2 3.46Å; I313-F318 HydrophobicContact CG1-CE2 3.93Å; I313-F318 HydrophobicContact CG1-CG 4.01Å; I313-R325 HydrophobicContact CG2-CB 3.94Å; I313-R325 HydrophobicContact CG2-CG 4.26Å; I313-R325 VanDerWaalsContact O-CD 3.28Å; I313-R325 WeakPolarHBondContact O-CD 3.43Å; I313-R325 PolarHBondContact O-NE 2.81Å; I313-L328 HydrophobicContact CD1-CB 3.83Å; I313-L328 HydrophobicContact CG1-CB 4.32Å; I313-L328 HydrophobicContact CG2-CB 4.3Å; I313-M329 HydrophobicContact CD1-SD 4.45Å; I313-L332 HydrophobicContact CD1-CD1 3.43Å; I313-L332 VanDerWaalsContact CD1-CD1 3.43Å; I313-L332 HydrophobicContact CD1-CD2 3.84Å; I313-L332 HydrophobicContact CD1-CG 3.52Å
314	M	90.7	Very high	87.3	Confident	38 Å²	38	42.4 Å²	42.4	19%	0.187	20%	0.197	C	C	.	.	H	α-helix	trans	-61.6	-30.3	179.7	-72.4	174.4	72.5	0	0	113	E310 K311 G316 R325 G382 E385 T386	E310-M314 WeakPolarHBondContact O-CB 3.26Å; E310-M314 VanDerWaalsContact O-CG 3.3Å; E310-M314 WeakPolarHBondContact O-CG 3.27Å; E310-M314 PolarHBondContact O-N 3.4Å; K311-M314 PolarHBondContact O-N 3.11Å; M314-G316 VanDerWaalsContact C-N 3.31Å; M314-R325 PolarHBondContact O-NH1 3.44Å; M314-G382 CarbonylContact O-C 3.56Å; M314-E385 WeakPolarHBondContact CE-OE2 3.42Å; M314-T386 HydrophobicContact CB-CG2 3.74Å
315	S	90	Very high	87.4	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-8.7	176.7	74.9	0	0	0	0	114.3	I268 K311 L312 I313 T386	I268-S315 WeakPolarHBondContact CD1-OG 3.37Å; K311-S315 WeakPolarHBondContact O-CB 3.48Å; K311-S315 PolarHBondContact O-N 3.36Å; K311-S315 PolarHBondContact O-OG 3.27Å; L312-S315 PolarHBondContact O-OG 3.2Å; I313-S315 PolarHBondContact O-N 3.02Å; S315-T386 WeakPolarHBondContact CA-OG1 3.33Å
316	G	89.5	Confident	87.6	Confident	2 Å²	2	39.3 Å²	39.3	2%	0.021	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.4	7.9	-176.1	0	0	0	0	0	115.8	L312 I313 M314 F318 D319	L312-G316 PolarHBondContact O-N 2.91Å; I313-G316 PolarHBondContact O-N 3.45Å; M314-G316 VanDerWaalsContact C-N 3.31Å; G316-F318 PolarHBondContact O-N 2.89Å; G316-F318 VanDerWaalsContact O-N 3.11Å; G316-D319 VanDerWaalsContact CA-CG 3.5Å; G316-D319 WeakPolarHBondContact CA-OD1 3.24Å; G316-D319 WeakPolarHBondContact CA-OD2 3.21Å; G316-D319 WeakPolarHBondContact O-CB 3.38Å; G316-D319 VanDerWaalsContact O-CG 3.3Å; G316-D319 PolarHBondContact O-N 3.32Å; G316-D319 VanDerWaalsContact O-N 3.13Å
317	A	91	Very high	87.5	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-22.3	-178	0	0	0	0	0	113.5	P244 I246 L312	P244-A317 HydrophobicContact CB-CB 4.15Å; P244-A317 VanDerWaalsContact O-CA 3.27Å; P244-A317 WeakPolarHBondContact O-CA 3.27Å; I246-A317 HydrophobicContact CD1-CB 4.28Å; I246-A317 HydrophobicContact CG1-CB 3.92Å; I246-A317 PolarHBondContact N-O 3.06Å; L312-A317 HydrophobicContact CB-CB 4.14Å; L312-A317 HydrophobicContact CD2-CB 3.88Å; L312-A317 WeakPolarHBondContact O-CB 3.1Å; L312-A317 PolarHBondContact O-N 3.17Å
318	F	90.1	Very high	87.4	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	4.9	-179.7	-72.7	-88.6	0	0	0	114.3	I246 L292 L295 L309 L312 I313 G316 R320 L321 L328	I246-F318 HydrophobicContact CD1-CD1 3.64Å; I246-F318 HydrophobicContact CD1-CD2 3.68Å; I246-F318 HydrophobicContact CD1-CE1 3.29Å; I246-F318 HydrophobicContact CD1-CE2 3.39Å; I246-F318 HydrophobicContact CD1-CG 3.81Å; I246-F318 HydrophobicContact CD1-CZ 3.15Å; L292-F318 HydrophobicContact CD1-CD1 4.01Å; L292-F318 HydrophobicContact CD1-CE1 3.54Å; L292-F318 HydrophobicContact CD1-CZ 4.08Å; L295-F318 HydrophobicContact CD2-CE1 3.22Å; L295-F318 HydrophobicContact CD2-CZ 3.27Å; L309-F318 HydrophobicContact CD2-CE2 4.34Å; L309-F318 HydrophobicContact CD2-CZ 3.84Å; L312-F318 HydrophobicContact CB-CD2 3.82Å; L312-F318 HydrophobicContact CB-CE2 3.39Å; L312-F318 HydrophobicContact CB-CZ 4.5Å; L312-F318 HydrophobicContact CD1-CE2 4.16Å; L312-F318 HydrophobicContact CG-CE2 4.41Å; I313-F318 HydrophobicContact CB-CD2 4.32Å; I313-F318 HydrophobicContact CG1-CB 4.24Å; I313-F318 HydrophobicContact CG1-CD2 3.46Å; I313-F318 VanDerWaalsContact CG1-CD2 3.46Å; I313-F318 HydrophobicContact CG1-CE2 3.93Å; I313-F318 HydrophobicContact CG1-CG 4.01Å; G316-F318 PolarHBondContact O-N 2.89Å; G316-F318 VanDerWaalsContact O-N 3.11Å; F318-R320 PolarHBondContact O-N 2.86Å; F318-L321 HydrophobicContact CD1-CB 4.39Å; F318-L321 HydrophobicContact CD1-CD1 3.46Å; F318-L321 VanDerWaalsContact CD1-CD1 3.46Å; F318-L321 HydrophobicContact CD1-CG 4.48Å; F318-L321 HydrophobicContact CE1-CD1 3.96Å; F318-L321 HydrophobicContact CG-CD1 4.43Å; F318-L321 PolarHBondContact O-N 3.22Å; F318-L328 HydrophobicContact CB-CD1 3.72Å; F318-L328 WeakPolarHBondContact O-CD1 3.33Å
319	D	87.6	Confident	87.3	Confident	64 Å²	64	27.6 Å²	27.6	34%	0.342	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-20.5	-171.6	-73.8	-7.4	0	0	0	113.7	G316 R325	G316-D319 VanDerWaalsContact CA-CG 3.5Å; G316-D319 WeakPolarHBondContact CA-OD1 3.24Å; G316-D319 WeakPolarHBondContact CA-OD2 3.21Å; G316-D319 WeakPolarHBondContact O-CB 3.38Å; G316-D319 VanDerWaalsContact O-CG 3.3Å; G316-D319 PolarHBondContact O-N 3.32Å; G316-D319 VanDerWaalsContact O-N 3.13Å; D319-R325 VanDerWaalsContact OD1-CG 3.24Å; D319-R325 WeakPolarHBondContact OD1-CG 3.44Å; D319-R325 IonicContact OD1-CZ 3.23Å; D319-R325 IonicContact OD1-NE 3.75Å; D319-R325 PolarHBondContact OD1-NE 3.37Å; D319-R325 IonicContact OD1-NH2 2.85Å; D319-R325 IonicContact OD2-CZ 3.55Å; D319-R325 IonicContact OD2-NE 2.76Å; D319-R325 PolarHBondContact OD2-NE 3.3Å; D319-R325 IonicContact OD2-NH2 2.88Å; D319-R325 PolarHBondContact OD2-NH2 3.12Å
320	R	85.5	Confident	87.1	Confident	174 Å²	174	32.3 Å²	32.3	66%	0.657	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-15.3	175.1	-69.8	-179	169.3	175.1	-7.1	114.6	D245 F318	D245-R320 IonicContact OD2-CZ 2.79Å; D245-R320 IonicContact OD2-NH1 3.69Å; D245-R320 PolarHBondContact OD2-NH1 3.24Å; F318-R320 PolarHBondContact O-N 2.86Å
321	L	81.5	Confident	86.8	Confident	13 Å²	13	30.1 Å²	30.1	7%	0.068	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-12.9	-172.3	-68.2	174	0	0	0	113.6	F289 R290 F318	F289-L321 HydrophobicContact CB-CD2 4.3Å; F289-L321 WeakPolarHBondContact O-CD2 3.5Å; R290-L321 WeakPolarHBondContact O-CD2 3.11Å; F318-L321 HydrophobicContact CD1-CB 4.39Å; F318-L321 HydrophobicContact CD1-CD1 3.46Å; F318-L321 VanDerWaalsContact CD1-CD1 3.46Å; F318-L321 HydrophobicContact CD1-CG 4.48Å; F318-L321 HydrophobicContact CE1-CD1 3.96Å; F318-L321 HydrophobicContact CG-CD1 4.43Å; F318-L321 PolarHBondContact O-N 3.22Å
322	G	75.2	Confident	86.6	Confident	17 Å²	17	28.9 Å²	28.9	18%	0.175	15%	0.148	C	C	.	.	S	Bend	trans	-149.4	167.9	178.2	0	0	0	0	0	112.1	H324	G322-H324 PolarHBondContact O-N 3.4Å
323	P	74.9	Confident	86.2	Confident	92 Å²	92	30 Å²	30	60%	0.597	16%	0.16	S	C	*	.	S	Bend	trans	-69.8	-35.6	-173	26.3	-33.7	0	0	0	112.8	A327 Y368	P323-A327 HydrophobicContact CG-CB 4.3Å; P323-Y368 HydrophobicContact CG-CG 4.19Å
324	H	82.6	Confident	85.7	Confident	38 Å²	38	34.2 Å²	34.2	18%	0.176	18%	0.182	C	C	.	.			trans	-156.4	154.4	177	59.2	87.4	0	0	0	111.7	G322 A326 A327 L328 C371 P373	G322-H324 PolarHBondContact O-N 3.4Å; H324-A326 VanDerWaalsContact C-N 3.26Å; H324-A326 WeakPolarHBondContact ND1-CB 3.21Å; H324-A326 PolarHBondContact ND1-N 2.82Å; H324-A326 PolarHBondContact O-N 3.41Å; H324-A327 WeakPolarHBondContact CE1-CB 3.45Å; H324-A327 PolarHBondContact CE1-N 2.84Å; H324-A327 PolarHBondContact ND1-N 3.27Å; H324-A327 WeakPolarHBondContact NE2-CB 3.49Å; H324-A327 WeakPolarHBondContact O-CB 3.37Å; H324-A327 PolarHBondContact O-N 2.6Å; H324-L328 PolarHBondContact O-N 3.47Å; H324-C371 PolarHBondContact CE1-O 2.91Å; H324-C371 PolarHBondContact NE2-O 3.43Å; H324-P373 HydrophobicContact CB-CB 4.35Å
325	R	87.7	Confident	85.4	Confident	15 Å²	15	32.5 Å²	32.5	6%	0.057	17%	0.174	C	C	.	.	H	α-helix	trans	-59.9	-32.1	-176.4	-67.6	-174	-175.2	171	14.7	113.5	I313 M314 D319 L328 M329 W374 E383	I313-R325 HydrophobicContact CG2-CB 3.94Å; I313-R325 HydrophobicContact CG2-CG 4.26Å; I313-R325 VanDerWaalsContact O-CD 3.28Å; I313-R325 WeakPolarHBondContact O-CD 3.43Å; I313-R325 PolarHBondContact O-NE 2.81Å; M314-R325 PolarHBondContact O-NH1 3.44Å; D319-R325 VanDerWaalsContact OD1-CG 3.24Å; D319-R325 WeakPolarHBondContact OD1-CG 3.44Å; D319-R325 IonicContact OD1-CZ 3.23Å; D319-R325 IonicContact OD1-NE 3.75Å; D319-R325 PolarHBondContact OD1-NE 3.37Å; D319-R325 IonicContact OD1-NH2 2.85Å; D319-R325 IonicContact OD2-CZ 3.55Å; D319-R325 IonicContact OD2-NE 2.76Å; D319-R325 PolarHBondContact OD2-NE 3.3Å; D319-R325 IonicContact OD2-NH2 2.88Å; D319-R325 PolarHBondContact OD2-NH2 3.12Å; R325-L328 PolarHBondContact O-N 2.68Å; R325-M329 WeakPolarHBondContact O-CB 3.35Å; R325-M329 PolarHBondContact O-N 3.39Å; R325-W374 HydrophobicContact CB-CE3 3.79Å; R325-W374 HydrophobicContact CB-CZ3 3.74Å; R325-E383 IonicContact CZ-OE1 3.54Å; R325-E383 VanDerWaalsContact NH1-CG 3.34Å; R325-E383 IonicContact NH1-OE1 2.68Å; R325-E383 PolarHBondContact NH1-OE1 2.96Å; R325-E383 IonicContact NH2-OE1 3.68Å; R325-E383 PolarHBondContact NH2-OE1 3.31Å
326	A	87	Confident	85.1	Confident	5 Å²	5	34 Å²	34	4%	0.041	18%	0.182	C	C	.	.	H	α-helix	trans	-67.1	-42.4	-179.9	0	0	0	0	0	111.9	H324 M329 N330 Q372 W374	H324-A326 VanDerWaalsContact C-N 3.26Å; H324-A326 WeakPolarHBondContact ND1-CB 3.21Å; H324-A326 PolarHBondContact ND1-N 2.82Å; H324-A326 PolarHBondContact O-N 3.41Å; A326-M329 PolarHBondContact O-N 2.69Å; A326-N330 WeakPolarHBondContact O-CB 3.28Å; A326-N330 PolarHBondContact O-N 3.15Å; A326-Q372 WeakPolarHBondContact CB-O 3.44Å; A326-W374 HydrophobicContact CB-CD2 3.96Å; A326-W374 HydrophobicContact CB-CG 3.73Å
327	A	86	Confident	84.7	Confident	2 Å²	2	40.2 Å²	40.2	2%	0.017	21%	0.208	C	C	.	.	H	α-helix	trans	-59.8	-47.1	174.5	0	0	0	0	0	111.5	P323 H324 N330 S331 Y368 C371	P323-A327 HydrophobicContact CG-CB 4.3Å; H324-A327 WeakPolarHBondContact CE1-CB 3.45Å; H324-A327 PolarHBondContact CE1-N 2.84Å; H324-A327 PolarHBondContact ND1-N 3.27Å; H324-A327 WeakPolarHBondContact NE2-CB 3.49Å; H324-A327 WeakPolarHBondContact O-CB 3.37Å; H324-A327 PolarHBondContact O-N 2.6Å; A327-N330 PolarHBondContact O-N 3.32Å; A327-S331 WeakPolarHBondContact O-CB 3.44Å; A327-S331 PolarHBondContact O-N 3.47Å; A327-S331 PolarHBondContact O-OG 3.26Å; A327-Y368 HydrophobicContact CB-CD1 3.47Å; A327-Y368 VanDerWaalsContact CB-CD1 3.47Å; A327-Y368 HydrophobicContact CB-CE1 4.18Å; A327-Y368 HydrophobicContact CB-CG 4.23Å; A327-C371 HydrophobicContact CB-CB 4.49Å
328	L	88	Confident	84.1	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-61.7	-45	176.3	-68.9	167.9	0	0	0	111.2	L292 I313 F318 H324 R325 N330 S331 L332 Y368	L292-L328 HydrophobicContact CB-CD2 3.97Å; L292-L328 HydrophobicContact CD2-CD2 3.96Å; L292-L328 HydrophobicContact CG-CD2 4.47Å; I313-L328 HydrophobicContact CD1-CB 3.83Å; I313-L328 HydrophobicContact CG1-CB 4.32Å; I313-L328 HydrophobicContact CG2-CB 4.3Å; F318-L328 HydrophobicContact CB-CD1 3.72Å; F318-L328 WeakPolarHBondContact O-CD1 3.33Å; H324-L328 PolarHBondContact O-N 3.47Å; R325-L328 PolarHBondContact O-N 2.68Å; L328-N330 VanDerWaalsContact C-N 3.33Å; L328-N330 PolarHBondContact O-N 2.86Å; L328-S331 WeakPolarHBondContact CA-OG 3.47Å; L328-S331 PolarHBondContact O-N 2.86Å; L328-S331 PolarHBondContact O-OG 3.31Å; L328-L332 WeakPolarHBondContact O-CG 3.37Å; L328-L332 PolarHBondContact O-N 3.49Å; L328-Y368 HydrophobicContact CD2-CE1 4.5Å
329	M	88.9	Confident	83.6	Confident	40 Å²	40	41.8 Å²	41.8	20%	0.197	22%	0.221	C	C	.	.	H	α-helix	trans	-62.8	-38.4	179.5	-165.9	75.1	170.4	0	0	112.6	E310 I313 R325 A326 L332 W374	E310-M329 HydrophobicContact CB-CE 3.75Å; E310-M329 HydrophobicContact CB-SD 4.12Å; E310-M329 HydrophobicContact CG-CE 3.41Å; E310-M329 VanDerWaalsContact CG-CE 3.41Å; E310-M329 HydrophobicContact CG-SD 3.83Å; I313-M329 HydrophobicContact CD1-SD 4.45Å; R325-M329 WeakPolarHBondContact O-CB 3.35Å; R325-M329 PolarHBondContact O-N 3.39Å; A326-M329 PolarHBondContact O-N 2.69Å; M329-L332 HydrophobicContact SD-CD1 4.1Å; M329-W374 HydrophobicContact CB-CH2 3.83Å; M329-W374 HydrophobicContact CB-CZ2 3.73Å; M329-W374 HydrophobicContact CG-CH2 3.89Å; M329-W374 HydrophobicContact CG-CZ2 3.8Å; M329-W374 HydrophobicContact SD-CH2 4.26Å
330	N	86.7	Confident	83.4	Confident	101 Å²	101	41.5 Å²	41.5	54%	0.54	22%	0.22	S	C	.	.	H	α-helix	trans	-70.1	-47.2	178.1	-164.1	38.3	0	0	0	111.4	A326 A327 L328 L332	A326-N330 WeakPolarHBondContact O-CB 3.28Å; A326-N330 PolarHBondContact O-N 3.15Å; A327-N330 PolarHBondContact O-N 3.32Å; L328-N330 VanDerWaalsContact C-N 3.33Å; L328-N330 PolarHBondContact O-N 2.86Å; N330-L332 VanDerWaalsContact C-N 3.26Å; N330-L332 PolarHBondContact O-N 3.38Å
331	S	85.1	Confident	82.9	Confident	5 Å²	5	37.9 Å²	37.9	4%	0.035	21%	0.21	C	C	.	.	H	α-helix	trans	-70.1	-15	-179.1	57.1	0	0	0	0	114.7	L292 A327 L328 G333 D334 A335 Y368	L292-S331 WeakPolarHBondContact CD2-OG 3.41Å; A327-S331 WeakPolarHBondContact O-CB 3.44Å; A327-S331 PolarHBondContact O-N 3.47Å; A327-S331 PolarHBondContact O-OG 3.26Å; L328-S331 WeakPolarHBondContact CA-OG 3.47Å; L328-S331 PolarHBondContact O-N 2.86Å; L328-S331 PolarHBondContact O-OG 3.31Å; S331-G333 PolarHBondContact O-N 3.09Å; S331-G333 VanDerWaalsContact O-N 3.16Å; S331-D334 PolarHBondContact O-N 3.05Å; S331-A335 WeakPolarHBondContact O-CB 3.28Å; S331-A335 PolarHBondContact O-N 3.44Å; S331-Y368 WeakPolarHBondContact OG-CE1 3.21Å
332	L	85.8	Confident	82.6	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-52.3	-38.6	177.6	-86.6	-177	0	0	0	113.6	L292 L309 E310 I313 L328 M329 N330 L336	L292-L332 HydrophobicContact CD1-CD2 3.94Å; L292-L332 HydrophobicContact CD2-CD2 4.06Å; L292-L332 HydrophobicContact CD2-CG 4.49Å; L292-L332 HydrophobicContact CG-CD2 4.5Å; L309-L332 HydrophobicContact CB-CD1 4.16Å; L309-L332 HydrophobicContact CB-CD2 3.74Å; L309-L332 HydrophobicContact CD1-CD2 3.99Å; L309-L332 HydrophobicContact CG-CD2 4.4Å; E310-L332 HydrophobicContact CG-CD1 3.82Å; I313-L332 HydrophobicContact CD1-CD1 3.43Å; I313-L332 VanDerWaalsContact CD1-CD1 3.43Å; I313-L332 HydrophobicContact CD1-CD2 3.84Å; I313-L332 HydrophobicContact CD1-CG 3.52Å; L328-L332 WeakPolarHBondContact O-CG 3.37Å; L328-L332 PolarHBondContact O-N 3.49Å; M329-L332 HydrophobicContact SD-CD1 4.1Å; N330-L332 VanDerWaalsContact C-N 3.26Å; N330-L332 PolarHBondContact O-N 3.38Å; L332-L336 WeakPolarHBondContact O-CB 3.44Å; L332-L336 VanDerWaalsContact O-CG 3.27Å; L332-L336 WeakPolarHBondContact O-CG 3.26Å; L332-L336 PolarHBondContact O-N 3.37Å; L332-L336 VanDerWaalsContact O-N 3.1Å
333	G	84.3	Confident	82.7	Confident	23 Å²	23	43.2 Å²	43.2	24%	0.237	24%	0.238	C	C	.	.	H	α-helix	trans	-63.5	-47	-179.1	0	0	0	0	0	112.1	S331 K337	S331-G333 PolarHBondContact O-N 3.09Å; S331-G333 VanDerWaalsContact O-N 3.16Å; G333-K337 PolarHBondContact O-N 3.21Å
334	D	82.4	Confident	82.8	Confident	89 Å²	89	44.3 Å²	44.3	48%	0.476	23%	0.234	S	C	.	.	H	α-helix	trans	-74.3	-39.6	-177	-56.2	-46.4	0	0	0	111	S331 L336 K337 A338	S331-D334 PolarHBondContact O-N 3.05Å; D334-L336 PolarHBondContact O-N 3.4Å; D334-K337 PolarHBondContact O-N 3.08Å; D334-A338 PolarHBondContact O-N 2.8Å
335	A	82.7	Confident	82.3	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.008	24%	0.235	C	C	.	.	H	α-helix	trans	-61.1	-43.8	175.2	0	0	0	0	0	113.1	L292 F293 S331 K337 A338 A339	L292-A335 HydrophobicContact CD2-CB 4.38Å; L292-A335 HydrophobicContact CG-CB 4.31Å; F293-A335 HydrophobicContact CD1-CB 3.86Å; F293-A335 HydrophobicContact CD2-CB 4.22Å; F293-A335 HydrophobicContact CE1-CB 3.78Å; F293-A335 HydrophobicContact CE2-CB 4.11Å; F293-A335 HydrophobicContact CG-CB 4.1Å; F293-A335 HydrophobicContact CZ-CB 3.9Å; S331-A335 WeakPolarHBondContact O-CB 3.28Å; S331-A335 PolarHBondContact O-N 3.44Å; A335-K337 VanDerWaalsContact C-N 3.31Å; A335-K337 PolarHBondContact O-N 3.21Å; A335-A338 PolarHBondContact O-N 3.48Å; A335-A339 WeakPolarHBondContact O-CB 3.35Å; A335-A339 PolarHBondContact O-N 3.15Å
336	L	84.6	Confident	81.6	Confident	31 Å²	31	49.7 Å²	49.7	16%	0.162	26%	0.264	C	S	.	.	H	α-helix	trans	-64.3	-37.1	175.5	-77.7	173.2	0	0	0	112.2	T301 R306 L309 L332 D334 D340	T301-L336 HydrophobicContact CG2-CD2 3.99Å; R306-L336 HydrophobicContact CB-CD1 3.92Å; R306-L336 HydrophobicContact CG-CD1 4.19Å; L309-L336 HydrophobicContact CD1-CD1 4.15Å; L309-L336 HydrophobicContact CD1-CD2 3.66Å; L309-L336 HydrophobicContact CD1-CG 4.08Å; L332-L336 WeakPolarHBondContact O-CB 3.44Å; L332-L336 VanDerWaalsContact O-CG 3.27Å; L332-L336 WeakPolarHBondContact O-CG 3.26Å; L332-L336 PolarHBondContact O-N 3.37Å; L332-L336 VanDerWaalsContact O-N 3.1Å; D334-L336 PolarHBondContact O-N 3.4Å; L336-D340 WeakPolarHBondContact O-CB 3.44Å; L336-D340 PolarHBondContact O-N 3.44Å
337	K	81.4	Confident	81	Confident	133 Å²	133	53.6 Å²	53.6	58%	0.578	30%	0.296	S	S	*	.	H	α-helix	trans	-69.2	-43.5	179.1	-172	178.8	178.2	-174.1	0	111.6	G333 D334 A335 A339 D340 Q341	G333-K337 PolarHBondContact O-N 3.21Å; D334-K337 PolarHBondContact O-N 3.08Å; A335-K337 VanDerWaalsContact C-N 3.31Å; A335-K337 PolarHBondContact O-N 3.21Å; K337-A339 VanDerWaalsContact C-N 3.35Å; K337-D340 PolarHBondContact O-N 3.27Å; K337-Q341 WeakPolarHBondContact O-CG 3.46Å; K337-Q341 PolarHBondContact O-N 2.96Å
338	A	77.6	Confident	80.5	Confident	25 Å²	25	59.5 Å²	59.5	21%	0.207	33%	0.326	C	S	.	.	H	α-helix	trans	-61.4	-43.1	175.1	0	0	0	0	0	111.5	F293 D334 A335 Q341 H342	F293-A338 HydrophobicContact CD1-CB 4.31Å; F293-A338 HydrophobicContact CE1-CB 4.19Å; D334-A338 PolarHBondContact O-N 2.8Å; A335-A338 PolarHBondContact O-N 3.48Å; A338-Q341 PolarHBondContact O-N 3.45Å; A338-H342 PolarHBondContact O-N 3.21Å
339	A	80.5	Confident	79.1	Confident	8 Å²	8	62.6 Å²	62.6	7%	0.066	36%	0.358	C	S	.	.	H	α-helix	trans	-64.1	-43.3	176.8	0	0	0	0	0	113.2	C296 T301 A335 K337 Q341 H342 A343	C296-A339 HydrophobicContact CB-CB 3.88Å; C296-A339 VanDerWaalsContact O-CB 3.26Å; C296-A339 WeakPolarHBondContact O-CB 3.46Å; T301-A339 HydrophobicContact CG2-CB 4.15Å; A335-A339 WeakPolarHBondContact O-CB 3.35Å; A335-A339 PolarHBondContact O-N 3.15Å; K337-A339 VanDerWaalsContact C-N 3.35Å; A339-Q341 VanDerWaalsContact C-N 3.33Å; A339-Q341 PolarHBondContact O-N 3.18Å; A339-H342 PolarHBondContact O-N 3.07Å; A339-A343 WeakPolarHBondContact O-CB 3.45Å; A339-A343 PolarHBondContact O-N 2.91Å
340	D	82	Confident	77.3	Confident	58 Å²	58	66.5 Å²	66.5	31%	0.31	38%	0.376	S	S	.	.	H	α-helix	trans	-64.5	-37.1	176.3	-176.9	62.2	0	0	0	112	L336 K337 K344	L336-D340 WeakPolarHBondContact O-CB 3.44Å; L336-D340 PolarHBondContact O-N 3.44Å; K337-D340 PolarHBondContact O-N 3.27Å; D340-K344 WeakPolarHBondContact O-CB 3.44Å; D340-K344 VanDerWaalsContact O-CG 3.31Å; D340-K344 WeakPolarHBondContact O-CG 3.33Å; D340-K344 PolarHBondContact O-N 3.3Å; D340-K344 IonicContact OD1-NZ 3.27Å; D340-K344 VanDerWaalsContact OD2-CE 3.29Å; D340-K344 WeakPolarHBondContact OD2-CE 3.31Å; D340-K344 IonicContact OD2-NZ 2.95Å; D340-K344 PolarHBondContact OD2-NZ 2.77Å
341	Q	76.9	Confident	75.6	Confident	99 Å²	99	66.3 Å²	66.3	46%	0.463	39%	0.388	S	S	.	.	H	α-helix	trans	-65.4	-44.5	173.9	-74.5	177.2	-12	0	0	112	K337 A338 A339 K344 A345	K337-Q341 WeakPolarHBondContact O-CG 3.46Å; K337-Q341 PolarHBondContact O-N 2.96Å; A338-Q341 PolarHBondContact O-N 3.45Å; A339-Q341 VanDerWaalsContact C-N 3.33Å; A339-Q341 PolarHBondContact O-N 3.18Å; Q341-K344 PolarHBondContact O-N 3.4Å; Q341-A345 PolarHBondContact O-N 3.05Å
342	H	74.6	Confident	73.9	Confident	92 Å²	92	69 Å²	69	43%	0.426	40%	0.403	S	S	.	.	H	α-helix	trans	-60.4	-46.6	175.7	-175.9	-78.5	0	0	0	111.5	A338 A339 K344 A345 E346	A338-H342 PolarHBondContact O-N 3.21Å; A339-H342 PolarHBondContact O-N 3.07Å; H342-K344 VanDerWaalsContact C-N 3.3Å; H342-K344 PolarHBondContact O-N 2.96Å; H342-A345 PolarHBondContact O-N 3.37Å; H342-E346 IonicContact CE1-OE2 3.44Å; H342-E346 PolarHBondContact O-N 3.05Å
343	A	76.2	Confident	72.1	Confident	49 Å²	49	77.6 Å²	77.6	41%	0.405	45%	0.445	S	S	.	.	H	α-helix	trans	-61.3	-37.4	177.2	0	0	0	0	0	112.6	A339 A347	A339-A343 WeakPolarHBondContact O-CB 3.45Å; A339-A343 PolarHBondContact O-N 2.91Å; A343-A347 WeakPolarHBondContact O-CB 3.38Å; A343-A347 PolarHBondContact O-N 3.11Å
344	K	78.1	Confident	70.5	Confident	115 Å²	115	85.2 Å²	85.2	50%	0.5	47%	0.471	S	S	.	.	H	α-helix	trans	-66.8	-43.1	174.2	-78.2	169.6	177.5	161.8	0	112.4	D340 Q341 H342 A347 I348	D340-K344 WeakPolarHBondContact O-CB 3.44Å; D340-K344 VanDerWaalsContact O-CG 3.31Å; D340-K344 WeakPolarHBondContact O-CG 3.33Å; D340-K344 PolarHBondContact O-N 3.3Å; D340-K344 IonicContact OD1-NZ 3.27Å; D340-K344 VanDerWaalsContact OD2-CE 3.29Å; D340-K344 WeakPolarHBondContact OD2-CE 3.31Å; D340-K344 IonicContact OD2-NZ 2.95Å; D340-K344 PolarHBondContact OD2-NZ 2.77Å; Q341-K344 PolarHBondContact O-N 3.4Å; H342-K344 VanDerWaalsContact C-N 3.3Å; H342-K344 PolarHBondContact O-N 2.96Å; K344-A347 PolarHBondContact O-N 3.43Å; K344-I348 WeakPolarHBondContact O-CD1 3.36Å; K344-I348 VanDerWaalsContact O-CG1 3.23Å; K344-I348 WeakPolarHBondContact O-CG1 3.39Å; K344-I348 PolarHBondContact O-N 3.27Å; K344-I348 VanDerWaalsContact O-N 3.16Å
345	A	71.3	Confident	68.5	Low	25 Å²	25	83.4 Å²	83.4	21%	0.207	47%	0.474	C	S	.	.	H	α-helix	trans	-61.9	-44.9	177.9	0	0	0	0	0	111.4	Q341 H342 I348 G349 Q350	Q341-A345 PolarHBondContact O-N 3.05Å; H342-A345 PolarHBondContact O-N 3.37Å; A345-I348 PolarHBondContact O-N 3.26Å; A345-G349 PolarHBondContact O-N 3.17Å; A345-Q350 PolarHBondContact O-N 3.05Å
346	E	72.4	Confident	66.5	Low	142 Å²	142	85.3 Å²	85.3	66%	0.664	49%	0.486	S	S	*	.	H	α-helix	trans	-63	-43.5	177.2	-166.6	178.2	178.7	0	0	111.9	H342 I348 G349	H342-E346 IonicContact CE1-OE2 3.44Å; H342-E346 PolarHBondContact O-N 3.05Å; E346-I348 VanDerWaalsContact C-N 3.27Å; E346-I348 PolarHBondContact O-N 3.25Å; E346-G349 PolarHBondContact O-N 3.02Å
347	A	74.8	Confident	64.3	Low	87 Å²	87	91.9 Å²	91.9	72%	0.719	52%	0.52	S	S	*	.	H	α-helix	trans	-64.8	-27.9	178.6	0	0	0	0	0	113.8	A343 K344 G349	A343-A347 WeakPolarHBondContact O-CB 3.38Å; A343-A347 PolarHBondContact O-N 3.11Å; K344-A347 PolarHBondContact O-N 3.43Å; A347-G349 PolarHBondContact O-N 3.49Å
348	I	75.9	Confident	62.5	Low	125 Å²	125	88.6 Å²	88.6	64%	0.641	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-7.9	177.1	-64.2	164.3	0	0	0	111	K344 A345 E346 Q350	K344-I348 WeakPolarHBondContact O-CD1 3.36Å; K344-I348 VanDerWaalsContact O-CG1 3.23Å; K344-I348 WeakPolarHBondContact O-CG1 3.39Å; K344-I348 PolarHBondContact O-N 3.27Å; K344-I348 VanDerWaalsContact O-N 3.16Å; A345-I348 PolarHBondContact O-N 3.26Å; E346-I348 VanDerWaalsContact C-N 3.27Å; E346-I348 PolarHBondContact O-N 3.25Å; I348-Q350 HydrophobicContact CB-CB 4.47Å; I348-Q350 HydrophobicContact CG2-CB 4.13Å; I348-Q350 PolarHBondContact O-N 3.17Å
349	G	59.1	Low	60.9	Low	66 Å²	66	91.6 Å²	91.6	68%	0.68	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	12.1	-173.7	0	0	0	0	0	112.7	A345 E346 A347 A351	A345-G349 PolarHBondContact O-N 3.17Å; E346-G349 PolarHBondContact O-N 3.02Å; A347-G349 PolarHBondContact O-N 3.49Å; G349-A351 PolarHBondContact O-N 3.07Å
350	Q	49.8	Very low	59.3	Low	123 Å²	123	97.1 Å²	97.1	58%	0.575	55%	0.552	S	S	*	*			trans	-87.1	92.2	175.9	-166.3	164.1	-8.4	0	0	106.9	A345 I348 D352	A345-Q350 PolarHBondContact O-N 3.05Å; I348-Q350 HydrophobicContact CB-CB 4.47Å; I348-Q350 HydrophobicContact CG2-CB 4.13Å; I348-Q350 PolarHBondContact O-N 3.17Å; Q350-D352 PolarHBondContact O-N 2.64Å
351	A	52.9	Low	57.7	Low	96 Å²	96	98.7 Å²	98.7	79%	0.793	57%	0.565	S	S	*	*			trans	-62.3	95.7	158.9	0	0	0	0	0	106	G349 M353	G349-A351 PolarHBondContact O-N 3.07Å; A351-M353 PolarHBondContact O-N 2.71Å
352	D	47.5	Very low	56.2	Low	63 Å²	63	99.8 Å²	99.8	34%	0.337	57%	0.571	S	S	.	*			trans	-62.1	110.8	-176	-172.2	15.1	0	0	0	107.8	Q350 F354 G355 V356	Q350-D352 PolarHBondContact O-N 2.64Å; D352-F354 PolarHBondContact O-N 3.37Å; D352-F354 PolarHBondContact OD1-N 3.24Å; D352-G355 WeakPolarHBondContact O-CA 3.48Å; D352-G355 PolarHBondContact O-N 2.98Å; D352-V356 PolarHBondContact OD2-N 3.19Å
353	M	49.4	Very low	55.1	Low	179 Å²	179	100 Å²	100	88%	0.882	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	-13.9	176.4	-111.2	-162.7	75	0	0	111.5	A351	A351-M353 PolarHBondContact O-N 2.71Å
354	F	50.8	Low	54	Low	183 Å²	183	98.3 Å²	98.3	80%	0.803	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	18.2	167.6	-62.8	-79	0	0	0	112.1	D352 V356	D352-F354 PolarHBondContact O-N 3.37Å; D352-F354 PolarHBondContact OD1-N 3.24Å; F354-V356 PolarHBondContact O-N 2.9Å
355	G	39	Very low	52.9	Low	52 Å²	52	98.9 Å²	98.9	54%	0.536	56%	0.56	S	S	.	*			trans	-5.6	87.1	-178.3	0	0	0	0	0	113.8	D352	D352-G355 WeakPolarHBondContact O-CA 3.48Å; D352-G355 PolarHBondContact O-N 2.98Å
356	V	41.5	Very low	51.9	Low	40 Å²	40	103.9 Å²	103.9	24%	0.242	58%	0.579	C	S	.	*			trans	35.1	109.8	167.1	-173.7	0	0	0	0	111.6	D352 F354 A358	D352-V356 PolarHBondContact OD2-N 3.19Å; F354-V356 PolarHBondContact O-N 2.9Å; V356-A358 PolarHBondContact O-N 3.49Å
357	L	39.3	Very low	51.2	Low	169 Å²	169	98.8 Å²	98.8	89%	0.885	56%	0.56	S	S	*	*			trans	-53.1	71.6	153.5	-69	157.3	0	0	0	108.7	E359	L357-E359 PolarHBondContact O-N 3.13Å; L357-E359 VanDerWaalsContact O-N 3.08Å
358	A	41.9	Very low	50.6	Low	65 Å²	65	95.7 Å²	95.7	54%	0.537	53%	0.529	S	S	.	.			trans	-54.8	109.5	142.4	0	0	0	0	0	100.6	V356 E360	V356-A358 PolarHBondContact O-N 3.49Å; A358-E360 PolarHBondContact O-N 3.19Å
359	E	45.6	Very low	49.7	Very low	88 Å²	88	93.9 Å²	93.9	41%	0.411	53%	0.533	S	S	.	.			trans	-35.1	119.7	164.1	-70.6	-167.3	165.2	0	0	106.2	L357 Q363 I364	L357-E359 PolarHBondContact O-N 3.13Å; L357-E359 VanDerWaalsContact O-N 3.08Å; E359-Q363 HydrophobicContact CB-CB 3.68Å; E359-Q363 HydrophobicContact CG-CB 4.45Å; E359-Q363 VanDerWaalsContact CG-OE1 3.29Å; E359-I364 HydrophobicContact CB-CG1 4.12Å
360	E	45.9	Very low	49.9	Very low	123 Å²	123	95.3 Å²	95.3	58%	0.575	53%	0.533	S	S	*	.			trans	-48.3	147.7	-173.9	-74.7	-155	165.2	0	0	107.9	A358 E362 Q363 I364	A358-E360 PolarHBondContact O-N 3.19Å; E360-E362 CarbonylContact O-C 3.57Å; E360-E362 PolarHBondContact O-N 3.45Å; E360-Q363 WeakPolarHBondContact O-CA 3.39Å; E360-Q363 WeakPolarHBondContact O-CB 3.43Å; E360-Q363 PolarHBondContact O-N 3.37Å; E360-I364 PolarHBondContact O-N 3.09Å
361	P	47.8	Very low	50.8	Low	91 Å²	91	90.8 Å²	90.8	59%	0.591	52%	0.515	S	S	*	.	H	α-helix	trans	-43.3	-33.5	-179.7	-30.1	35	0	0	0	113	I364 E365	P361-I364 PolarHBondContact O-N 3.33Å; P361-E365 WeakPolarHBondContact O-CB 3.47Å; P361-E365 WeakPolarHBondContact O-CG 3.45Å; P361-E365 PolarHBondContact O-N 3.24Å
362	E	46.6	Very low	52	Low	123 Å²	123	93.6 Å²	93.6	58%	0.575	51%	0.511	S	S	*	.	H	α-helix	trans	-59.1	-42.7	171.6	-61.8	-175.3	172.8	0	0	115.1	E360 E365 Q366	E360-E362 CarbonylContact O-C 3.57Å; E360-E362 PolarHBondContact O-N 3.45Å; E362-E365 PolarHBondContact O-N 3.16Å; E362-Q366 WeakPolarHBondContact O-CB 3.43Å; E362-Q366 WeakPolarHBondContact O-CG 3.29Å; E362-Q366 PolarHBondContact O-N 3.46Å
363	Q	51.8	Low	53.6	Low	97 Å²	97	94.4 Å²	94.4	45%	0.453	52%	0.52	S	S	.	.	H	α-helix	trans	-68.1	-37.2	175.9	-75.3	-179.5	-4.4	0	0	112	E359 E360 Q366 S367	E359-Q363 HydrophobicContact CB-CB 3.68Å; E359-Q363 HydrophobicContact CG-CB 4.45Å; E359-Q363 VanDerWaalsContact CG-OE1 3.29Å; E360-Q363 WeakPolarHBondContact O-CA 3.39Å; E360-Q363 WeakPolarHBondContact O-CB 3.43Å; E360-Q363 PolarHBondContact O-N 3.37Å; Q363-Q366 PolarHBondContact O-N 3.06Å; Q363-S367 PolarHBondContact O-N 3.13Å
364	I	53.2	Low	55.2	Low	12 Å²	12	89.6 Å²	89.6	6%	0.062	49%	0.492	C	S	.	.	H	α-helix	trans	-66.7	-44.4	174.4	-61.7	170.8	0	0	0	109.8	F293 E359 E360 P361 Q366 S367 Y368	F293-I364 HydrophobicContact CD1-CD1 4.32Å; F293-I364 HydrophobicContact CD2-CD1 3.78Å; F293-I364 HydrophobicContact CD2-CG1 4.46Å; F293-I364 HydrophobicContact CD2-CG2 4.09Å; F293-I364 HydrophobicContact CE1-CD1 4.22Å; F293-I364 HydrophobicContact CE2-CB 4.41Å; F293-I364 HydrophobicContact CE2-CD1 3.7Å; F293-I364 HydrophobicContact CE2-CG1 3.91Å; F293-I364 HydrophobicContact CE2-CG2 3.61Å; F293-I364 HydrophobicContact CG-CD1 4.11Å; F293-I364 HydrophobicContact CZ-CD1 3.92Å; F293-I364 HydrophobicContact CZ-CG1 4.02Å; F293-I364 HydrophobicContact CZ-CG2 4.45Å; E359-I364 HydrophobicContact CB-CG1 4.12Å; E360-I364 PolarHBondContact O-N 3.09Å; P361-I364 PolarHBondContact O-N 3.33Å; I364-Q366 VanDerWaalsContact C-N 3.33Å; I364-Q366 PolarHBondContact O-N 3.32Å; I364-S367 WeakPolarHBondContact O-CB 3.09Å; I364-S367 PolarHBondContact O-N 2.63Å; I364-S367 VanDerWaalsContact O-N 3.16Å; I364-S367 PolarHBondContact O-OG 2.82Å; I364-Y368 HydrophobicContact CG2-CD2 4.13Å; I364-Y368 HydrophobicContact CG2-CE2 3.54Å; I364-Y368 WeakPolarHBondContact O-CD2 3.45Å; I364-Y368 PolarHBondContact O-N 2.8Å
365	E	53.7	Low	56.5	Low	128 Å²	128	84.3 Å²	84.3	60%	0.598	48%	0.476	S	S	*	.	H	α-helix	trans	-60.5	-40.5	173.7	-76.8	-173.1	169.1	0	0	112.2	P361 E362 S367 Y368 A369	P361-E365 WeakPolarHBondContact O-CB 3.47Å; P361-E365 WeakPolarHBondContact O-CG 3.45Å; P361-E365 PolarHBondContact O-N 3.24Å; E362-E365 PolarHBondContact O-N 3.16Å; E365-S367 VanDerWaalsContact C-N 3.34Å; E365-S367 PolarHBondContact O-N 2.84Å; E365-Y368 PolarHBondContact O-N 3.43Å; E365-A369 PolarHBondContact O-N 3.16Å
366	Q	51.5	Low	58.5	Low	129 Å²	129	86 Å²	86	60%	0.603	47%	0.469	S	S	*	.	H	α-helix	trans	-63.1	-39.4	173.6	-77	173.9	9.8	0	0	112	E362 Q363 I364 Y368 A369 S370	E362-Q366 WeakPolarHBondContact O-CB 3.43Å; E362-Q366 WeakPolarHBondContact O-CG 3.29Å; E362-Q366 PolarHBondContact O-N 3.46Å; Q363-Q366 PolarHBondContact O-N 3.06Å; I364-Q366 VanDerWaalsContact C-N 3.33Å; I364-Q366 PolarHBondContact O-N 3.32Å; Q366-Y368 VanDerWaalsContact C-N 3.32Å; Q366-Y368 PolarHBondContact O-N 2.93Å; Q366-A369 PolarHBondContact O-N 3.11Å; Q366-S370 PolarHBondContact O-N 3.22Å
367	S	56.9	Low	60.3	Low	36 Å²	36	87.9 Å²	87.9	25%	0.252	48%	0.476	S	S	.	.	H	α-helix	trans	-61.9	-40.8	175.8	85.9	0	0	0	0	111.4	Q363 I364 E365 S370	Q363-S367 PolarHBondContact O-N 3.13Å; I364-S367 WeakPolarHBondContact O-CB 3.09Å; I364-S367 PolarHBondContact O-N 2.63Å; I364-S367 VanDerWaalsContact O-N 3.16Å; I364-S367 PolarHBondContact O-OG 2.82Å; E365-S367 VanDerWaalsContact C-N 3.34Å; E365-S367 PolarHBondContact O-N 2.84Å; S367-S370 PolarHBondContact O-OG 3.5Å
368	Y	63	Low	62.4	Low	21 Å²	21	83 Å²	83	8%	0.082	45%	0.453	C	S	.	.	H	α-helix	trans	-66	-39.9	175.8	-68.3	-37.9	0	0	0	112.3	P323 A327 L328 S331 I364 E365 Q366 S370 C371	P323-Y368 HydrophobicContact CG-CG 4.19Å; A327-Y368 HydrophobicContact CB-CD1 3.47Å; A327-Y368 VanDerWaalsContact CB-CD1 3.47Å; A327-Y368 HydrophobicContact CB-CE1 4.18Å; A327-Y368 HydrophobicContact CB-CG 4.23Å; L328-Y368 HydrophobicContact CD2-CE1 4.5Å; S331-Y368 WeakPolarHBondContact OG-CE1 3.21Å; I364-Y368 HydrophobicContact CG2-CD2 4.13Å; I364-Y368 HydrophobicContact CG2-CE2 3.54Å; I364-Y368 WeakPolarHBondContact O-CD2 3.45Å; I364-Y368 PolarHBondContact O-N 2.8Å; E365-Y368 PolarHBondContact O-N 3.43Å; Q366-Y368 VanDerWaalsContact C-N 3.32Å; Q366-Y368 PolarHBondContact O-N 2.93Å; Y368-S370 VanDerWaalsContact C-N 3.3Å; Y368-S370 PolarHBondContact O-N 3.04Å; Y368-C371 PolarHBondContact O-N 3.04Å
369	A	56.3	Low	64.5	Low	88 Å²	88	81.3 Å²	81.3	73%	0.727	44%	0.436	S	S	*	.	H	α-helix	trans	-65.6	-31.2	-178.1	0	0	0	0	0	113.1	E365 Q366 C371	E365-A369 PolarHBondContact O-N 3.16Å; Q366-A369 PolarHBondContact O-N 3.11Å; A369-C371 VanDerWaalsContact C-N 3.33Å; A369-C371 PolarHBondContact O-N 2.88Å
370	S	64.3	Low	66.5	Low	96 Å²	96	77.2 Å²	77.2	67%	0.671	42%	0.417	S	S	*	.	H	α-helix	trans	-75.1	-18.1	-179.2	72.2	0	0	0	0	114.7	Q366 S367 Y368	Q366-S370 PolarHBondContact O-N 3.22Å; S367-S370 PolarHBondContact O-OG 3.5Å; Y368-S370 VanDerWaalsContact C-N 3.3Å; Y368-S370 PolarHBondContact O-N 3.04Å
371	C	68.8	Low	68.4	Low	28 Å²	28	74.4 Å²	74.4	19%	0.189	41%	0.406	C	S	.	.	S	Bend	trans	-92.2	125	-172.5	-168.5	0	0	0	0	111.5	H324 A327 Y368 A369	H324-C371 PolarHBondContact CE1-O 2.91Å; H324-C371 PolarHBondContact NE2-O 3.43Å; A327-C371 HydrophobicContact CB-CB 4.49Å; Y368-C371 PolarHBondContact O-N 3.04Å; A369-C371 VanDerWaalsContact C-N 3.33Å; A369-C371 PolarHBondContact O-N 2.88Å
372	Q	76.6	Confident	70.3	Confident	155 Å²	155	70.2 Å²	70.2	72%	0.724	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-69	132	176.2	-172	173.9	7.1	0	0	110.7	A326	A326-Q372 WeakPolarHBondContact CB-O 3.44Å
373	P	82.2	Confident	72.3	Confident	79 Å²	79	64.4 Å²	64.4	51%	0.513	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-57.3	144	174.4	-25.4	34.2	0	0	0	112.4	H324	H324-P373 HydrophobicContact CB-CB 4.35Å
374	W	82.5	Confident	73.9	Confident	79 Å²	79	63.4 Å²	63.4	30%	0.299	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-64	142.8	174.7	-74.2	-19.3	0	0	0	111.7	R325 A326 M329 V378 V379	R325-W374 HydrophobicContact CB-CE3 3.79Å; R325-W374 HydrophobicContact CB-CZ3 3.74Å; A326-W374 HydrophobicContact CB-CD2 3.96Å; A326-W374 HydrophobicContact CB-CG 3.73Å; M329-W374 HydrophobicContact CB-CH2 3.83Å; M329-W374 HydrophobicContact CB-CZ2 3.73Å; M329-W374 HydrophobicContact CG-CH2 3.89Å; M329-W374 HydrophobicContact CG-CZ2 3.8Å; M329-W374 HydrophobicContact SD-CH2 4.26Å; W374-V378 HydrophobicContact CB-CB 4.27Å; W374-V378 HydrophobicContact CB-CG1 4.36Å; W374-V378 HydrophobicContact CD2-CG1 4.08Å; W374-V378 HydrophobicContact CE3-CG1 4.3Å; W374-V378 HydrophobicContact CG-CG1 4.11Å; W374-V379 HydrophobicContact CB-CG2 3.94Å; W374-V379 HydrophobicContact CE3-CG2 4.39Å
375	P	78.8	Confident	75.5	Confident	71 Å²	71	68.5 Å²	68.5	46%	0.461	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-57.1	147.9	166.8	-21.4	32.3	0	0	0	111.3	Q377 V378 V379	P375-Q377 PolarHBondContact O-N 2.92Å; P375-Q377 VanDerWaalsContact O-N 3.13Å; P375-V378 HydrophobicContact CB-CG2 4.41Å; P375-V378 HydrophobicContact CG-CG2 4.33Å; P375-V378 PolarHBondContact O-N 2.96Å; P375-V379 PolarHBondContact O-N 2.75Å
376	E	79.7	Confident	77.1	Confident	87 Å²	87	62.4 Å²	62.4	41%	0.407	34%	0.339	S	S	.	.	H	α-helix	trans	-52.2	-39.2	-179.5	-171.6	-178.8	176.2	0	0	112	V378 V379 L380	E376-V378 VanDerWaalsContact C-N 3.35Å; E376-V378 PolarHBondContact O-N 3.19Å; E376-V379 WeakPolarHBondContact O-CB 3.5Å; E376-V379 PolarHBondContact O-N 3.35Å; E376-L380 HydrophobicContact CG-CD1 3.88Å; E376-L380 HydrophobicContact CG-CG 4.19Å; E376-L380 WeakPolarHBondContact O-CB 2.96Å; E376-L380 VanDerWaalsContact O-CG 3.27Å; E376-L380 WeakPolarHBondContact O-CG 3.26Å; E376-L380 PolarHBondContact O-N 2.89Å
377	Q	79	Confident	78.8	Confident	80 Å²	80	56.3 Å²	56.3	37%	0.374	31%	0.311	S	S	.	.	H	α-helix	trans	-56.5	-45	176.8	-175.2	174.6	6.3	0	0	112.9	P375 V379 L380 D381	P375-Q377 PolarHBondContact O-N 2.92Å; P375-Q377 VanDerWaalsContact O-N 3.13Å; Q377-V379 VanDerWaalsContact C-N 3.35Å; Q377-V379 PolarHBondContact O-N 3.16Å; Q377-L380 PolarHBondContact O-N 3.31Å; Q377-D381 WeakPolarHBondContact O-CB 3.19Å; Q377-D381 PolarHBondContact O-N 3.34Å
378	V	84.6	Confident	80	Confident	68 Å²	68	56 Å²	56	41%	0.412	31%	0.313	S	S	.	.	H	α-helix	trans	-67.5	-38.7	-179.2	179.3	0	0	0	0	110.9	W374 P375 E376 G382	W374-V378 HydrophobicContact CB-CB 4.27Å; W374-V378 HydrophobicContact CB-CG1 4.36Å; W374-V378 HydrophobicContact CD2-CG1 4.08Å; W374-V378 HydrophobicContact CE3-CG1 4.3Å; W374-V378 HydrophobicContact CG-CG1 4.11Å; P375-V378 HydrophobicContact CB-CG2 4.41Å; P375-V378 HydrophobicContact CG-CG2 4.33Å; P375-V378 PolarHBondContact O-N 2.96Å; E376-V378 VanDerWaalsContact C-N 3.35Å; E376-V378 PolarHBondContact O-N 3.19Å; V378-G382 PolarHBondContact O-N 2.98Å
379	V	86.5	Confident	80.9	Confident	29 Å²	29	55.5 Å²	55.5	18%	0.176	31%	0.312	C	S	.	.	H	α-helix	trans	-62.1	-49.8	175.9	177.1	0	0	0	0	110.4	W374 P375 E376 Q377 G382 E383	W374-V379 HydrophobicContact CB-CG2 3.94Å; W374-V379 HydrophobicContact CE3-CG2 4.39Å; P375-V379 PolarHBondContact O-N 2.75Å; E376-V379 WeakPolarHBondContact O-CB 3.5Å; E376-V379 PolarHBondContact O-N 3.35Å; Q377-V379 VanDerWaalsContact C-N 3.35Å; Q377-V379 PolarHBondContact O-N 3.16Å; V379-G382 PolarHBondContact O-N 3.42Å; V379-E383 PolarHBondContact O-N 2.85Å
380	L	86.3	Confident	82.2	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-64.3	-43	-179.4	-71.8	-179.6	0	0	0	111.8	E376 Q377 G382 E383 R384 Y390 P395	E376-L380 HydrophobicContact CG-CD1 3.88Å; E376-L380 HydrophobicContact CG-CG 4.19Å; E376-L380 WeakPolarHBondContact O-CB 2.96Å; E376-L380 VanDerWaalsContact O-CG 3.27Å; E376-L380 WeakPolarHBondContact O-CG 3.26Å; E376-L380 PolarHBondContact O-N 2.89Å; Q377-L380 PolarHBondContact O-N 3.31Å; L380-G382 VanDerWaalsContact C-N 3.27Å; L380-G382 PolarHBondContact O-N 3.49Å; L380-E383 WeakPolarHBondContact O-CB 3.46Å; L380-E383 PolarHBondContact O-N 3.14Å; L380-E383 VanDerWaalsContact O-N 3.16Å; L380-R384 PolarHBondContact O-N 3.27Å; L380-Y390 HydrophobicContact CB-CD1 3.58Å; L380-Y390 HydrophobicContact CB-CE1 3.71Å; L380-Y390 HydrophobicContact CD2-CD1 4.28Å; L380-Y390 HydrophobicContact CG-CD1 4.4Å; L380-Y390 WeakPolarHBondContact O-CD1 3.5Å; L380-Y390 WeakPolarHBondContact O-CE1 3.2Å; L380-P395 HydrophobicContact CD1-CG 4.25Å
381	D	86.1	Confident	83	Confident	63 Å²	63	48.5 Å²	48.5	34%	0.337	25%	0.253	S	S	.	.	H	α-helix	trans	-63.5	-37	177.1	-71.5	-21.4	0	0	0	111.2	Q377 R384 E385 Y390	Q377-D381 WeakPolarHBondContact O-CB 3.19Å; Q377-D381 PolarHBondContact O-N 3.34Å; D381-R384 PolarHBondContact O-N 3.32Å; D381-E385 PolarHBondContact O-N 2.9Å; D381-Y390 PolarHBondContact OD1-OH 3.17Å
382	G	87.1	Confident	83.4	Confident	4 Å²	4	50.4 Å²	50.4	4%	0.041	26%	0.264	C	S	.	.	H	α-helix	trans	-63.6	-40.4	171.6	0	0	0	0	0	113.5	M314 V378 V379 L380 E385 T386	M314-G382 CarbonylContact O-C 3.56Å; V378-G382 PolarHBondContact O-N 2.98Å; V379-G382 PolarHBondContact O-N 3.42Å; L380-G382 VanDerWaalsContact C-N 3.27Å; L380-G382 PolarHBondContact O-N 3.49Å; G382-E385 PolarHBondContact O-N 2.98Å; G382-T386 WeakPolarHBondContact O-CB 3.11Å; G382-T386 WeakPolarHBondContact O-CG2 3.48Å; G382-T386 PolarHBondContact O-N 3.38Å; G382-T386 VanDerWaalsContact O-N 3.1Å; G382-T386 PolarHBondContact O-OG1 2.93Å
383	E	88.9	Confident	83.4	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-63.3	-43.2	173.8	-71.2	-175.2	179.6	0	0	111.5	R325 V379 L380 E385 T386 L387 L389 L391 T392	R325-E383 IonicContact CZ-OE1 3.54Å; R325-E383 VanDerWaalsContact NH1-CG 3.34Å; R325-E383 IonicContact NH1-OE1 2.68Å; R325-E383 PolarHBondContact NH1-OE1 2.96Å; R325-E383 IonicContact NH2-OE1 3.68Å; R325-E383 PolarHBondContact NH2-OE1 3.31Å; V379-E383 PolarHBondContact O-N 2.85Å; L380-E383 WeakPolarHBondContact O-CB 3.46Å; L380-E383 PolarHBondContact O-N 3.14Å; L380-E383 VanDerWaalsContact O-N 3.16Å; E383-E385 PolarHBondContact O-N 3.38Å; E383-T386 PolarHBondContact O-N 3.39Å; E383-T386 PolarHBondContact O-OG1 2.99Å; E383-L387 WeakPolarHBondContact O-CA 3.31Å; E383-L387 VanDerWaalsContact O-CB 3.27Å; E383-L387 WeakPolarHBondContact O-CB 3.31Å; E383-L387 PolarHBondContact O-N 2.9Å; E383-L389 CarbonylContact C-O 3.6Å; E383-L391 PolarHBondContact OE2-N 2.9Å; E383-T392 WeakPolarHBondContact OE1-CB 3.37Å; E383-T392 WeakPolarHBondContact OE1-CG2 3.14Å; E383-T392 PolarHBondContact OE1-OG1 2.95Å; E383-T392 PolarHBondContact OE2-N 3.17Å; E383-T392 PolarHBondContact OE2-OG1 3.34Å
384	R	85.3	Confident	83.2	Confident	76 Å²	76	40.2 Å²	40.2	29%	0.287	21%	0.211	S	C	.	.	H	α-helix	trans	-66.3	-38.6	178.3	179.5	166.2	169	-125.6	11.7	112.5	L380 D381 T386 G388 L389 Y390 D475	L380-R384 PolarHBondContact O-N 3.27Å; D381-R384 PolarHBondContact O-N 3.32Å; R384-T386 VanDerWaalsContact C-N 3.29Å; R384-T386 PolarHBondContact O-N 3.26Å; R384-G388 WeakPolarHBondContact O-CA 3.21Å; R384-G388 PolarHBondContact O-N 3.05Å; R384-L389 PolarHBondContact N-O 2.92Å; R384-Y390 HydrophobicContact CB-CD1 4.05Å; R384-Y390 HydrophobicContact CB-CE1 3.77Å; R384-Y390 HydrophobicContact CB-CE2 4.48Å; R384-Y390 VanDerWaalsContact CD-CE2 3.41Å; R384-Y390 WeakPolarHBondContact CD-OH 3.42Å; R384-Y390 PolarHBondContact NH1-OH 3.44Å; R384-D475 IonicContact CZ-OD1 3.8Å; R384-D475 IonicContact CZ-OD2 3.45Å; R384-D475 IonicContact NH1-OD1 3.8Å; R384-D475 PolarHBondContact NH1-OD1 3.23Å; R384-D475 IonicContact NH1-OD2 2.67Å; R384-D475 PolarHBondContact NH1-OD2 2.96Å; R384-D475 VanDerWaalsContact NH2-CG 3.33Å; R384-D475 IonicContact NH2-OD1 2.86Å; R384-D475 PolarHBondContact NH2-OD1 2.91Å; R384-D475 IonicContact NH2-OD2 2.67Å; R384-D475 PolarHBondContact NH2-OD2 2.94Å; R384-D475 VanDerWaalsContact NH2-OD2 3.13Å
385	E	86.8	Confident	83.1	Confident	118 Å²	118	36.9 Å²	36.9	55%	0.551	20%	0.2	S	C	*	.	H	α-helix	trans	-64.4	-36.8	176.7	-168.2	-172.3	155.2	0	0	112	M314 D381 G382 E383	M314-E385 WeakPolarHBondContact CE-OE2 3.42Å; D381-E385 PolarHBondContact O-N 2.9Å; G382-E385 PolarHBondContact O-N 2.98Å; E383-E385 PolarHBondContact O-N 3.38Å
386	T	88.1	Confident	83.2	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-92.5	-41.5	-173.4	53.9	0	0	0	0	114	K269 K311 M314 S315 G382 E383 R384	K269-T386 WeakPolarHBondContact CB-O 3.24Å; K269-T386 PolarHBondContact N-O 2.93Å; K311-T386 HydrophobicContact CB-CG2 4.28Å; K311-T386 HydrophobicContact CG-CG2 4.33Å; M314-T386 HydrophobicContact CB-CG2 3.74Å; S315-T386 WeakPolarHBondContact CA-OG1 3.33Å; G382-T386 WeakPolarHBondContact O-CB 3.11Å; G382-T386 WeakPolarHBondContact O-CG2 3.48Å; G382-T386 PolarHBondContact O-N 3.38Å; G382-T386 VanDerWaalsContact O-N 3.1Å; G382-T386 PolarHBondContact O-OG1 2.93Å; E383-T386 PolarHBondContact O-N 3.39Å; E383-T386 PolarHBondContact O-OG1 2.99Å; R384-T386 VanDerWaalsContact C-N 3.29Å; R384-T386 PolarHBondContact O-N 3.26Å
387	L	86.1	Confident	83	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-99.9	-17.8	-177.7	-56.2	178.4	0	0	0	112.8	P244 Y263 I268 E383 L389 L391	P244-L387 HydrophobicContact CG-CD2 4Å; Y263-L387 HydrophobicContact CD1-CD2 4.04Å; Y263-L387 HydrophobicContact CE1-CD2 3.78Å; I268-L387 HydrophobicContact CG1-CD2 3.92Å; E383-L387 WeakPolarHBondContact O-CA 3.31Å; E383-L387 VanDerWaalsContact O-CB 3.27Å; E383-L387 WeakPolarHBondContact O-CB 3.31Å; E383-L387 PolarHBondContact O-N 2.9Å; L387-L389 VanDerWaalsContact C-N 3.32Å; L387-L391 HydrophobicContact CD1-CB 4.17Å; L387-L391 HydrophobicContact CD1-CD2 3.91Å
388	G	82.2	Confident	82.7	Confident	29 Å²	29	30 Å²	30	30%	0.299	16%	0.163	S	C	.	.	S	Bend	trans	86.7	-5.7	-174.5	0	0	0	0	0	114.6	R384	R384-G388 WeakPolarHBondContact O-CA 3.21Å; R384-G388 PolarHBondContact O-N 3.05Å
389	L	83.2	Confident	82.3	Confident	12 Å²	12	27.4 Å²	27.4	6%	0.063	15%	0.146	C	C	.	.	S	Bend	trans	-146.3	162.2	-176.9	66.9	100.8	0	0	0	111.9	V228 V231 Y263 E383 R384 L387 L391	V228-L389 HydrophobicContact CG1-CB 4.28Å; V228-L389 HydrophobicContact CG2-CB 3.92Å; V228-L389 HydrophobicContact CG2-CD2 4.03Å; V231-L389 HydrophobicContact CB-CD2 4.15Å; V231-L389 HydrophobicContact CG1-CD1 4.13Å; V231-L389 HydrophobicContact CG1-CD2 4.2Å; V231-L389 HydrophobicContact CG2-CD2 3.88Å; Y263-L389 WeakPolarHBondContact OH-CD2 3.3Å; E383-L389 CarbonylContact C-O 3.6Å; R384-L389 PolarHBondContact N-O 2.92Å; L387-L389 VanDerWaalsContact C-N 3.32Å; L389-L391 HydrophobicContact CD1-CB 3.77Å; L389-L391 HydrophobicContact CD1-CD1 4.04Å; L389-L391 HydrophobicContact CD1-CG 4.48Å
390	Y	83.6	Confident	81.6	Confident	22 Å²	22	28.2 Å²	28.2	9%	0.086	15%	0.149	C	C	.	.			trans	-87	108.1	172.5	-63.9	-68.3	0	0	0	109.4	L380 D381 R384 G393 P395 L429	L380-Y390 HydrophobicContact CB-CD1 3.58Å; L380-Y390 HydrophobicContact CB-CE1 3.71Å; L380-Y390 HydrophobicContact CD2-CD1 4.28Å; L380-Y390 HydrophobicContact CG-CD1 4.4Å; L380-Y390 WeakPolarHBondContact O-CD1 3.5Å; L380-Y390 WeakPolarHBondContact O-CE1 3.2Å; D381-Y390 PolarHBondContact OD1-OH 3.17Å; R384-Y390 HydrophobicContact CB-CD1 4.05Å; R384-Y390 HydrophobicContact CB-CE1 3.77Å; R384-Y390 HydrophobicContact CB-CE2 4.48Å; R384-Y390 VanDerWaalsContact CD-CE2 3.41Å; R384-Y390 WeakPolarHBondContact CD-OH 3.42Å; R384-Y390 PolarHBondContact NH1-OH 3.44Å; Y390-G393 WeakPolarHBondContact CB-O 3.37Å; Y390-P395 HydrophobicContact CD1-CG 4.03Å; Y390-P395 HydrophobicContact CD2-CG 4.02Å; Y390-P395 HydrophobicContact CE1-CG 3.63Å; Y390-P395 HydrophobicContact CE2-CG 3.66Å; Y390-P395 HydrophobicContact CG-CG 4.19Å; Y390-P395 VanDerWaalsContact CZ-CG 3.44Å; Y390-L429 HydrophobicContact CD2-CD2 4.33Å; Y390-L429 HydrophobicContact CE2-CD2 3.74Å
391	L	81.6	Confident	81	Confident	14 Å²	14	36.4 Å²	36.4	7%	0.073	18%	0.184	C	C	.	.			trans	-99.1	-50.9	-168.3	-178.4	62.8	0	0	0	112.3	W235 I241 P243 Y263 E383 L387 L389	W235-L391 HydrophobicContact CZ2-CD1 4.21Å; I241-L391 HydrophobicContact CB-CD1 4.28Å; I241-L391 HydrophobicContact CG2-CD1 3.89Å; P243-L391 HydrophobicContact CB-CD2 4.04Å; Y263-L391 HydrophobicContact CD2-CD2 3.9Å; Y263-L391 HydrophobicContact CE2-CD2 4.21Å; E383-L391 PolarHBondContact OE2-N 2.9Å; L387-L391 HydrophobicContact CD1-CB 4.17Å; L387-L391 HydrophobicContact CD1-CD2 3.91Å; L389-L391 HydrophobicContact CD1-CB 3.77Å; L389-L391 HydrophobicContact CD1-CD1 4.04Å; L389-L391 HydrophobicContact CD1-CG 4.48Å
392	T	77.3	Confident	80.5	Confident	69 Å²	69	35.5 Å²	35.5	42%	0.423	18%	0.178	S	C	.	.	S	Bend	trans	-79.1	-22	-174.7	57.1	0	0	0	0	112.9	P243 E383	P243-T392 HydrophobicContact CB-CG2 4.49Å; E383-T392 WeakPolarHBondContact OE1-CB 3.37Å; E383-T392 WeakPolarHBondContact OE1-CG2 3.14Å; E383-T392 PolarHBondContact OE1-OG1 2.95Å; E383-T392 PolarHBondContact OE2-N 3.17Å; E383-T392 PolarHBondContact OE2-OG1 3.34Å
393	G	76.3	Confident	79.9	Confident	6 Å²	6	36 Å²	36	6%	0.062	18%	0.179	C	C	.	.			trans	-157.5	-164.4	-180	0	0	0	0	0	112	Y390	Y390-G393 WeakPolarHBondContact CB-O 3.37Å
394	H	78.1	Confident	79.3	Confident	13 Å²	13	41.3 Å²	41.3	6%	0.06	20%	0.204	C	C	.	.			trans	-142.1	138.6	174.9	-170.2	-92	0	0	0	107.9	I396 N397 D450 R452	H394-I396 HydrophobicContact CB-CG2 4.29Å; H394-I396 VanDerWaalsContact ND1-CB 3.33Å; H394-I396 WeakPolarHBondContact ND1-CB 3.45Å; H394-I396 WeakPolarHBondContact ND1-CG2 3.5Å; H394-I396 PolarHBondContact ND1-N 3.37Å; H394-I396 PolarHBondContact O-N 3.27Å; H394-N397 PolarHBondContact N-ND2 2.75Å; H394-N397 WeakPolarHBondContact O-CB 3.37Å; H394-N397 VanDerWaalsContact O-CG 3.23Å; H394-N397 PolarHBondContact O-N 3.44Å; H394-N397 PolarHBondContact O-ND2 2.99Å; H394-D450 PolarHBondContact CE1-O 2.83Å; H394-R452 HydrophobicContact CB-CB 3.97Å; H394-R452 HydrophobicContact CB-CG 4.34Å
395	P	80.3	Confident	78.7	Confident	10 Å²	10	47.8 Å²	47.8	7%	0.065	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-21.1	-177	-29.3	36	0	0	0	114.5	L380 Y390 N397 Q398 Y399 L429	L380-P395 HydrophobicContact CD1-CG 4.25Å; Y390-P395 HydrophobicContact CD1-CG 4.03Å; Y390-P395 HydrophobicContact CD2-CG 4.02Å; Y390-P395 HydrophobicContact CE1-CG 3.63Å; Y390-P395 HydrophobicContact CE2-CG 3.66Å; Y390-P395 HydrophobicContact CG-CG 4.19Å; Y390-P395 VanDerWaalsContact CZ-CG 3.44Å; P395-N397 VanDerWaalsContact C-N 3.3Å; P395-N397 PolarHBondContact O-N 2.81Å; P395-Q398 WeakPolarHBondContact O-CG 3.41Å; P395-Q398 PolarHBondContact O-NE2 3.45Å; P395-Y399 WeakPolarHBondContact O-CD2 3.3Å; P395-Y399 WeakPolarHBondContact O-CE2 3.45Å; P395-L429 HydrophobicContact CB-CD1 4.38Å; P395-L429 HydrophobicContact CB-CD2 4.4Å; P395-L429 HydrophobicContact CG-CD2 3.97Å
396	I	79.5	Confident	78.2	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.01	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-23.9	175	-150.8	173.5	0	0	0	113.5	H394 Q398 Y399 L400 I403 D451	H394-I396 HydrophobicContact CB-CG2 4.29Å; H394-I396 VanDerWaalsContact ND1-CB 3.33Å; H394-I396 WeakPolarHBondContact ND1-CB 3.45Å; H394-I396 WeakPolarHBondContact ND1-CG2 3.5Å; H394-I396 PolarHBondContact ND1-N 3.37Å; H394-I396 PolarHBondContact O-N 3.27Å; I396-Q398 VanDerWaalsContact C-N 3.27Å; I396-Q398 PolarHBondContact O-N 3.33Å; I396-Y399 CarbonylContact O-C 3.47Å; I396-Y399 PolarHBondContact O-N 3.49Å; I396-L400 HydrophobicContact CG2-CD2 4.24Å; I396-L400 PolarHBondContact O-N 2.73Å; I396-L400 VanDerWaalsContact O-N 3.16Å; I396-I403 HydrophobicContact CD1-CD1 3.88Å; I396-I403 HydrophobicContact CG1-CD1 3.45Å; I396-I403 VanDerWaalsContact CG1-CD1 3.45Å; I396-D451 HydrophobicContact CD1-CB 3.84Å
397	N	76.8	Confident	77.2	Confident	38 Å²	38	44.3 Å²	44.3	20%	0.203	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-55.9	-42.3	-172.3	-73.5	-16.8	0	0	0	111.9	H394 P395 Y399 L400	H394-N397 PolarHBondContact N-ND2 2.75Å; H394-N397 WeakPolarHBondContact O-CB 3.37Å; H394-N397 VanDerWaalsContact O-CG 3.23Å; H394-N397 PolarHBondContact O-N 3.44Å; H394-N397 PolarHBondContact O-ND2 2.99Å; P395-N397 VanDerWaalsContact C-N 3.3Å; P395-N397 PolarHBondContact O-N 2.81Å; N397-Y399 PolarHBondContact O-N 3.35Å; N397-L400 HydrophobicContact CB-CD1 4.42Å; N397-L400 PolarHBondContact O-N 3.34Å
398	Q	73.2	Confident	76.2	Confident	53 Å²	53	47.5 Å²	47.5	25%	0.248	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-62.3	-23.7	179.5	69.9	-173.7	-34.3	0	0	113.2	P395 I396	P395-Q398 WeakPolarHBondContact O-CG 3.41Å; P395-Q398 PolarHBondContact O-NE2 3.45Å; I396-Q398 VanDerWaalsContact C-N 3.27Å; I396-Q398 PolarHBondContact O-N 3.33Å
399	Y	75.3	Confident	75.2	Confident	13 Å²	13	48.3 Å²	48.3	5%	0.051	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-103.6	-3.7	-179.1	-50.1	-81.4	0	0	0	113.3	P395 I396 N397 K401 E402 I403 I477 I503 D570	P395-Y399 WeakPolarHBondContact O-CD2 3.3Å; P395-Y399 WeakPolarHBondContact O-CE2 3.45Å; I396-Y399 CarbonylContact O-C 3.47Å; I396-Y399 PolarHBondContact O-N 3.49Å; N397-Y399 PolarHBondContact O-N 3.35Å; Y399-K401 VanDerWaalsContact C-N 3.28Å; Y399-K401 PolarHBondContact O-N 2.96Å; Y399-K401 VanDerWaalsContact O-N 3.17Å; Y399-E402 CarbonylContact O-C 3.36Å; Y399-E402 WeakPolarHBondContact O-CA 3.28Å; Y399-E402 WeakPolarHBondContact O-CB 3.38Å; Y399-E402 PolarHBondContact O-N 3.49Å; Y399-I403 WeakPolarHBondContact O-CB 3.35Å; Y399-I403 WeakPolarHBondContact O-CG1 3.3Å; Y399-I403 PolarHBondContact O-N 2.92Å; Y399-I477 HydrophobicContact CD2-CD1 3.22Å; Y399-I477 HydrophobicContact CE2-CD1 3.09Å; Y399-I477 HydrophobicContact CG-CD1 4.28Å; Y399-I503 HydrophobicContact CD1-CD1 4.17Å; Y399-I503 HydrophobicContact CD1-CG1 3.94Å; Y399-I503 HydrophobicContact CE1-CG1 4.11Å; Y399-I503 HydrophobicContact CG-CD1 4.48Å; Y399-D570 WeakPolarHBondContact CE1-OD1 3.39Å; Y399-D570 WeakPolarHBondContact CE1-OD2 3.26Å; Y399-D570 PolarHBondContact OH-OD2 3.48Å
400	L	71.6	Confident	74.5	Confident	46 Å²	46	50.4 Å²	50.4	24%	0.241	27%	0.267	C	S	.	.	H	α-helix	trans	-53.8	-43.2	-173.9	-75.7	173.6	0	0	0	112.9	I396 N397 E402 I403 E404	I396-L400 HydrophobicContact CG2-CD2 4.24Å; I396-L400 PolarHBondContact O-N 2.73Å; I396-L400 VanDerWaalsContact O-N 3.16Å; N397-L400 HydrophobicContact CB-CD1 4.42Å; N397-L400 PolarHBondContact O-N 3.34Å; L400-E402 PolarHBondContact O-N 2.98Å; L400-I403 PolarHBondContact O-N 3.21Å; L400-E404 WeakPolarHBondContact O-CB 3.49Å; L400-E404 WeakPolarHBondContact O-CG 3.28Å; L400-E404 PolarHBondContact O-N 3.3Å
401	K	73.3	Confident	74.1	Confident	174 Å²	174	54.7 Å²	54.7	76%	0.757	28%	0.283	S	S	*	.	H	α-helix	trans	-63.6	-29.3	177.2	-70.9	-178.4	179.1	175.6	0	113.6	Y399	Y399-K401 VanDerWaalsContact C-N 3.28Å; Y399-K401 PolarHBondContact O-N 2.96Å; Y399-K401 VanDerWaalsContact O-N 3.17Å
402	E	75.1	Confident	73.9	Confident	45 Å²	45	54.6 Å²	54.6	21%	0.21	28%	0.283	C	S	.	.	H	α-helix	trans	-83.6	-46.1	179.1	179	165.8	-139.1	0	0	110.3	Y399 L400 E404 R405 Y406 R507	Y399-E402 CarbonylContact O-C 3.36Å; Y399-E402 WeakPolarHBondContact O-CA 3.28Å; Y399-E402 WeakPolarHBondContact O-CB 3.38Å; Y399-E402 PolarHBondContact O-N 3.49Å; L400-E402 PolarHBondContact O-N 2.98Å; E402-E404 VanDerWaalsContact C-N 3.33Å; E402-E404 PolarHBondContact O-N 2.75Å; E402-R405 WeakPolarHBondContact O-CB 3.48Å; E402-R405 PolarHBondContact O-N 2.99Å; E402-R405 VanDerWaalsContact O-N 3.08Å; E402-Y406 HydrophobicContact CG-CD2 4.37Å; E402-Y406 HydrophobicContact CG-CE2 3.44Å; E402-Y406 VanDerWaalsContact CG-CE2 3.44Å; E402-Y406 WeakPolarHBondContact CG-OH 3.2Å; E402-Y406 PolarHBondContact OE1-OH 3Å; E402-Y406 VanDerWaalsContact OE1-OH 3.05Å; E402-R507 VanDerWaalsContact CD-NE 3.32Å; E402-R507 WeakPolarHBondContact OE1-CG 3.49Å; E402-R507 IonicContact OE1-CZ 3.32Å; E402-R507 IonicContact OE1-NE 3.46Å; E402-R507 PolarHBondContact OE1-NE 3.28Å; E402-R507 IonicContact OE1-NH2 2.95Å; E402-R507 IonicContact OE2-CZ 2.78Å; E402-R507 IonicContact OE2-NE 3.87Å; E402-R507 PolarHBondContact OE2-NE 3.02Å; E402-R507 VanDerWaalsContact OE2-NE 3.1Å; E402-R507 IonicContact OE2-NH2 3.72Å; E402-R507 PolarHBondContact OE2-NH2 3.04Å
403	I	76.3	Confident	73.5	Confident	13 Å²	13	57.5 Å²	57.5	7%	0.067	29%	0.289	C	S	.	.	H	α-helix	trans	-60.1	-39.2	176.3	-69.5	170.7	0	0	0	111.6	I396 Y399 L400 R405 Y406 V407 A427	I396-I403 HydrophobicContact CD1-CD1 3.88Å; I396-I403 HydrophobicContact CG1-CD1 3.45Å; I396-I403 VanDerWaalsContact CG1-CD1 3.45Å; Y399-I403 WeakPolarHBondContact O-CB 3.35Å; Y399-I403 WeakPolarHBondContact O-CG1 3.3Å; Y399-I403 PolarHBondContact O-N 2.92Å; L400-I403 PolarHBondContact O-N 3.21Å; I403-R405 PolarHBondContact O-N 3.07Å; I403-R405 VanDerWaalsContact O-N 3.13Å; I403-Y406 PolarHBondContact O-N 3.31Å; I403-V407 HydrophobicContact CG2-CB 4.17Å; I403-V407 HydrophobicContact CG2-CG2 3.67Å; I403-V407 WeakPolarHBondContact O-CB 3.27Å; I403-V407 PolarHBondContact O-N 3.27Å; I403-A427 HydrophobicContact CD1-CB 4.14Å; I403-A427 HydrophobicContact CG1-CB 4.26Å; I403-A427 HydrophobicContact CG2-CB 3.51Å
404	E	75.1	Confident	73.3	Confident	113 Å²	113	61 Å²	61	53%	0.528	31%	0.307	S	S	.	.	H	α-helix	trans	-53.4	-35.1	175.6	-86.4	178.3	-174.4	0	0	112.2	L400 E402 G408 G409	L400-E404 WeakPolarHBondContact O-CB 3.49Å; L400-E404 WeakPolarHBondContact O-CG 3.28Å; L400-E404 PolarHBondContact O-N 3.3Å; E402-E404 VanDerWaalsContact C-N 3.33Å; E402-E404 PolarHBondContact O-N 2.75Å; E404-G408 PolarHBondContact O-N 2.95Å; E404-G408 VanDerWaalsContact O-N 3.16Å; E404-G409 PolarHBondContact O-N 3.37Å
405	R	74	Confident	73.2	Confident	213 Å²	213	60.9 Å²	60.9	80%	0.804	31%	0.306	S	S	*	.	H	α-helix	trans	-75.4	-24.6	178.5	-59.3	177.1	179	178.1	-0.7	113.1	E402 I403	E402-R405 WeakPolarHBondContact O-CB 3.48Å; E402-R405 PolarHBondContact O-N 2.99Å; E402-R405 VanDerWaalsContact O-N 3.08Å; I403-R405 PolarHBondContact O-N 3.07Å; I403-R405 VanDerWaalsContact O-N 3.13Å
406	Y	75.2	Confident	73	Confident	28 Å²	28	67 Å²	67	11%	0.11	33%	0.334	C	S	.	.	H	α-helix	trans	-92.3	-40.5	-178.7	-53.8	-29.7	0	0	0	112.4	E402 I403 I479 I503 A506 Y510	E402-Y406 HydrophobicContact CG-CD2 4.37Å; E402-Y406 HydrophobicContact CG-CE2 3.44Å; E402-Y406 VanDerWaalsContact CG-CE2 3.44Å; E402-Y406 WeakPolarHBondContact CG-OH 3.2Å; E402-Y406 PolarHBondContact OE1-OH 3Å; E402-Y406 VanDerWaalsContact OE1-OH 3.05Å; I403-Y406 PolarHBondContact O-N 3.31Å; Y406-I479 HydrophobicContact CD2-CD1 3.63Å; Y406-I479 HydrophobicContact CE2-CD1 4.19Å; Y406-I503 HydrophobicContact CE2-CD1 4.44Å; Y406-A506 HydrophobicContact CD2-CB 4.27Å; Y406-A506 HydrophobicContact CE2-CB 4.06Å; Y406-Y510 AromaticContact CD1-CD2 3.67Å; Y406-Y510 HydrophobicContact CD1-CD2 3.67Å; Y406-Y510 AromaticContact CD1-CG 3.75Å; Y406-Y510 HydrophobicContact CD1-CG 3.75Å; Y406-Y510 HydrophobicContact CE1-CD2 4.04Å; Y406-Y510 HydrophobicContact CE1-CG 4Å; Y406-Y510 HydrophobicContact CG-CD2 4.08Å
407	V	67.9	Low	73	Confident	17 Å²	17	70.5 Å²	70.5	10%	0.103	36%	0.357	C	S	.	.	H	α-helix	trans	-93.7	-10.2	-172.3	175.5	0	0	0	0	112	I403 G409 V410 T425 A427	I403-V407 HydrophobicContact CG2-CB 4.17Å; I403-V407 HydrophobicContact CG2-CG2 3.67Å; I403-V407 WeakPolarHBondContact O-CB 3.27Å; I403-V407 PolarHBondContact O-N 3.27Å; V407-G409 PolarHBondContact O-N 3.17Å; V407-V410 HydrophobicContact CG1-CB 4.46Å; V407-V410 VanDerWaalsContact CG1-O 3.29Å; V407-V410 WeakPolarHBondContact CG1-O 3.24Å; V407-T425 WeakPolarHBondContact CG1-O 3.49Å; V407-T425 HydrophobicContact CG2-CG2 4.17Å; V407-A427 HydrophobicContact CG2-CB 3.74Å
408	G	64.2	Low	73.1	Confident	67 Å²	67	70.1 Å²	70.1	69%	0.691	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	20.4	-177.3	0	0	0	0	0	113.2	E404	E404-G408 PolarHBondContact O-N 2.95Å; E404-G408 VanDerWaalsContact O-N 3.16Å
409	G	61.3	Low	73.3	Confident	47 Å²	47	75.1 Å²	75.1	49%	0.485	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.3	5.2	172.3	0	0	0	0	0	116.8	E404 V407 R411	E404-G409 PolarHBondContact O-N 3.37Å; V407-G409 PolarHBondContact O-N 3.17Å; G409-R411 PolarHBondContact O-N 2.94Å
410	V	69.5	Low	73	Confident	55 Å²	55	86.4 Å²	86.4	33%	0.333	42%	0.422	S	S	.	.			trans	-80.3	119.5	177.9	-174.7	0	0	0	0	110.6	V407 M415 I424	V407-V410 HydrophobicContact CG1-CB 4.46Å; V407-V410 VanDerWaalsContact CG1-O 3.29Å; V407-V410 WeakPolarHBondContact CG1-O 3.24Å; V410-M415 HydrophobicContact CG1-CG 3.8Å; V410-I424 HydrophobicContact CG1-CD1 4.41Å
411	R	73.4	Confident	72.9	Confident	112 Å²	112	86.6 Å²	86.6	42%	0.423	43%	0.434	S	S	.	.			trans	-83.8	157.1	170	-66.4	-168.2	177.1	-160.5	-0.1	111	G409 K413 D414 M415	G409-R411 PolarHBondContact O-N 2.94Å; R411-K413 HydrophobicContact CB-CG 4.17Å; R411-K413 PolarHBondContact O-N 3.43Å; R411-D414 PolarHBondContact O-N 3.46Å; R411-M415 PolarHBondContact O-N 3.08Å
412	L	77.6	Confident	73.3	Confident	12 Å²	12	85.1 Å²	85.1	6%	0.063	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-57.6	-36.8	-178.3	-64.4	-178.3	0	0	0	112.4	D414 M415 A426 L449 D451 S453 G454 L456	L412-D414 VanDerWaalsContact C-N 3.26Å; L412-D414 PolarHBondContact O-N 2.9Å; L412-M415 HydrophobicContact CD2-SD 3.7Å; L412-M415 PolarHBondContact O-N 3.12Å; L412-A426 HydrophobicContact CD2-CB 3.96Å; L412-L449 HydrophobicContact CD1-CB 4.43Å; L412-D451 WeakPolarHBondContact CB-OD1 3.17Å; L412-D451 HydrophobicContact CD1-CB 3.73Å; L412-D451 HydrophobicContact CG-CB 3.87Å; L412-D451 WeakPolarHBondContact CG-OD2 3.48Å; L412-D451 PolarHBondContact N-OD2 3.49Å; L412-S453 PolarHBondContact N-OG 3.29Å; L412-G454 VanDerWaalsContact CD1-O 3.3Å; L412-G454 WeakPolarHBondContact CD1-O 3.44Å; L412-L456 HydrophobicContact CD1-CB 4.23Å; L412-L456 HydrophobicContact CD2-CB 3.9Å; L412-L456 HydrophobicContact CD2-CD2 3.87Å
413	K	70.4	Confident	73.7	Confident	130 Å²	130	86.1 Å²	86.1	57%	0.565	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-63.6	-27.6	175.2	68.9	167.7	-172.9	170.9	0	114.3	R411 S453	R411-K413 HydrophobicContact CB-CG 4.17Å; R411-K413 PolarHBondContact O-N 3.43Å; K413-S453 WeakPolarHBondContact CG-OG 3.4Å; K413-S453 PolarHBondContact N-OG 3.03Å; K413-S453 VanDerWaalsContact N-OG 3.13Å
414	D	71.4	Confident	74.1	Confident	79 Å²	79	87.2 Å²	87.2	42%	0.422	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-100.7	6.9	-173.9	-57.6	-46.5	0	0	0	111.2	R411 L412 H416	R411-D414 PolarHBondContact O-N 3.46Å; L412-D414 VanDerWaalsContact C-N 3.26Å; L412-D414 PolarHBondContact O-N 2.9Å; D414-H416 PolarHBondContact O-CE1 3.12Å; D414-H416 VanDerWaalsContact O-CE1 3.27Å; D414-H416 PolarHBondContact O-ND1 3.07Å
415	M	76.5	Confident	74.7	Confident	11 Å²	11	83 Å²	83	5%	0.054	43%	0.425	C	S	.	.			trans	-71.7	137.7	177.2	-71.7	-168.1	97.1	0	0	111.2	V410 R411 L412 I424 A426 L456 V484 L493	V410-M415 HydrophobicContact CG1-CG 3.8Å; R411-M415 PolarHBondContact O-N 3.08Å; L412-M415 HydrophobicContact CD2-SD 3.7Å; L412-M415 PolarHBondContact O-N 3.12Å; M415-I424 HydrophobicContact CE-CB 4.43Å; M415-I424 HydrophobicContact CE-CD1 3.83Å; M415-I424 HydrophobicContact CE-CG1 3.98Å; M415-I424 HydrophobicContact CE-CG2 3.59Å; M415-A426 HydrophobicContact CE-CB 3.88Å; M415-A426 HydrophobicContact SD-CB 4.06Å; M415-L456 HydrophobicContact CE-CD2 4.43Å; M415-L456 HydrophobicContact SD-CD2 3.74Å; M415-V484 HydrophobicContact CE-CG2 3.65Å; M415-L493 HydrophobicContact CB-CD1 3.96Å; M415-L493 VanDerWaalsContact O-CD1 3.23Å; M415-L493 WeakPolarHBondContact O-CD1 3.4Å
416	H	76.2	Confident	75.3	Confident	139 Å²	139	73 Å²	73	64%	0.644	39%	0.388	S	S	*	.			trans	-119	152.5	176.8	-65.2	77.5	0	0	0	110.1	D414 T418	D414-H416 PolarHBondContact O-CE1 3.12Å; D414-H416 VanDerWaalsContact O-CE1 3.27Å; D414-H416 PolarHBondContact O-ND1 3.07Å; H416-T418 PolarHBondContact O-N 3.43Å
417	P	79.2	Confident	75.9	Confident	75 Å²	75	72 Å²	72	49%	0.487	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-54.7	130.5	173.1	-24.6	34.7	0	0	0	111.2	F486 L493	P417-F486 HydrophobicContact CG-CB 4.03Å; P417-L493 HydrophobicContact CG-CD2 3.96Å
418	T	79.1	Confident	76.8	Confident	31 Å²	31	71.2 Å²	71.2	19%	0.19	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-89.5	143.6	-179.9	50.7	0	0	0	0	111	H416 I424 V484	H416-T418 PolarHBondContact O-N 3.43Å; T418-I424 HydrophobicContact CG2-CB 4.06Å; T418-I424 HydrophobicContact CG2-CG2 3.86Å; T418-V484 HydrophobicContact CG2-CB 4.42Å; T418-V484 PolarHBondContact N-O 2.85Å; T418-V484 PolarHBondContact OG1-N 2.8Å; T418-V484 PolarHBondContact OG1-O 2.91Å
419	E	76.6	Confident	77.9	Confident	157 Å²	157	68.2 Å²	68.2	73%	0.734	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-58.3	151.8	168.9	-66.9	178.3	-176.5	0	0	111.6	G421 K422	E419-G421 PolarHBondContact O-N 3.25Å; E419-K422 PolarHBondContact O-N 3.17Å
420	R	69.9	Low	79.2	Confident	251 Å²	251	66 Å²	66	95%	0.947	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	118.2	177.2	-73.3	-171.8	178.9	-168.6	1	110.1
421	G	69.2	Low	79.8	Confident	49 Å²	49	65.9 Å²	65.9	51%	0.505	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	107.2	-23	178.6	0	0	0	0	0	114.3	E419 Q483	E419-G421 PolarHBondContact O-N 3.25Å; G421-Q483 VanDerWaalsContact CA-NE2 3.3Å; G421-Q483 VanDerWaalsContact N-NE2 3.15Å
422	K	80.3	Confident	80.2	Confident	143 Å²	143	62.6 Å²	62.6	62%	0.622	32%	0.321	S	S	*	.			trans	-80.8	128.9	179.1	-163.2	170.1	-174.3	176.1	0	110.4	E419	E419-K422 PolarHBondContact O-N 3.17Å
423	V	83.4	Confident	80.7	Confident	67 Å²	67	63.7 Å²	63.7	41%	0.406	33%	0.333	S	S	.	.			trans	-101.9	133.1	178.4	-177.2	0	0	0	0	108	G482	V423-G482 WeakPolarHBondContact CA-O 3.44Å
424	I	86.1	Confident	81.4	Confident	35 Å²	35	63.7 Å²	63.7	18%	0.179	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	149.1	171	-168.6	163.7	0	0	0	108.8	V410 M415 T418 S481 G482 V484 M495	V410-I424 HydrophobicContact CG1-CD1 4.41Å; M415-I424 HydrophobicContact CE-CB 4.43Å; M415-I424 HydrophobicContact CE-CD1 3.83Å; M415-I424 HydrophobicContact CE-CG1 3.98Å; M415-I424 HydrophobicContact CE-CG2 3.59Å; T418-I424 HydrophobicContact CG2-CB 4.06Å; T418-I424 HydrophobicContact CG2-CG2 3.86Å; I424-S481 WeakPolarHBondContact O-CA 3.39Å; I424-G482 PolarHBondContact N-O 2.76Å; I424-G482 PolarHBondContact O-N 2.97Å; I424-G482 VanDerWaalsContact O-O 3.13Å; I424-V484 HydrophobicContact CG2-CB 4.32Å; I424-V484 HydrophobicContact CG2-CG2 3.47Å; I424-V484 VanDerWaalsContact CG2-CG2 3.47Å; I424-M495 HydrophobicContact CG2-CE 4.37Å; I424-M495 WeakPolarHBondContact O-CE 3.16Å
425	T	86.7	Confident	82.1	Confident	26 Å²	26	63.5 Å²	63.5	16%	0.16	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	135.7	175.8	-49.3	0	0	0	0	108.4	V407 I479 V480 S481	V407-T425 WeakPolarHBondContact CG1-O 3.49Å; V407-T425 HydrophobicContact CG2-CG2 4.17Å; T425-I479 HydrophobicContact CG2-CG2 3.37Å; T425-V480 CarbonylContact C-O 3.49Å; T425-V480 VanDerWaalsContact CA-O 3.31Å; T425-V480 WeakPolarHBondContact CA-O 3.47Å; T425-S481 PolarHBondContact OG1-OG 2.84Å
426	A	86.9	Confident	82.4	Confident	2 Å²	2	67 Å²	67	2%	0.017	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	143.5	173.2	0	0	0	0	0	108.8	L412 M415 L456 I479 V480 M495	L412-A426 HydrophobicContact CD2-CB 3.96Å; M415-A426 HydrophobicContact CE-CB 3.88Å; M415-A426 HydrophobicContact SD-CB 4.06Å; A426-L456 HydrophobicContact CB-CD2 4.04Å; A426-I479 CarbonylContact O-C 3.56Å; A426-I479 WeakPolarHBondContact O-CA 3.29Å; A426-V480 PolarHBondContact N-O 2.69Å; A426-V480 PolarHBondContact O-N 3.1Å; A426-M495 HydrophobicContact CB-CE 4.22Å; A426-M495 HydrophobicContact CB-SD 3.87Å
427	A	87.6	Confident	82.8	Confident	7 Å²	7	65.3 Å²	65.3	6%	0.058	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	139	174.5	0	0	0	0	0	109.7	I403 V407 L478 I479	I403-A427 HydrophobicContact CD1-CB 4.14Å; I403-A427 HydrophobicContact CG1-CB 4.26Å; I403-A427 HydrophobicContact CG2-CB 3.51Å; V407-A427 HydrophobicContact CG2-CB 3.74Å; A427-L478 WeakPolarHBondContact CA-O 3.5Å; A427-I479 HydrophobicContact CB-CG1 3.92Å
428	G	87.2	Confident	82.8	Confident	0 Å²	0	64 Å²	64	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	163.9	179.7	0	0	0	0	0	112.5	D450 I477 L478	G428-D450 CarbonylContact C-O 3.54Å; G428-D450 VanDerWaalsContact CA-O 3.31Å; G428-D450 WeakPolarHBondContact CA-O 3.31Å; G428-I477 WeakPolarHBondContact O-CA 3.38Å; G428-L478 PolarHBondContact N-O 2.79Å; G428-L478 VanDerWaalsContact N-O 3.1Å; G428-L478 PolarHBondContact O-N 2.83Å
429	L	87.5	Confident	82.7	Confident	4 Å²	4	73.1 Å²	73.1	2%	0.021	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	134.4	168.4	-174.3	72.2	0	0	0	109.5	Y390 P395 V431 L449 D450 D475 I477	Y390-L429 HydrophobicContact CD2-CD2 4.33Å; Y390-L429 HydrophobicContact CE2-CD2 3.74Å; P395-L429 HydrophobicContact CB-CD1 4.38Å; P395-L429 HydrophobicContact CB-CD2 4.4Å; P395-L429 HydrophobicContact CG-CD2 3.97Å; L429-V431 PolarHBondContact O-N 3.31Å; L429-L449 CarbonylContact O-C 3.54Å; L429-L449 WeakPolarHBondContact O-CA 3.41Å; L429-D450 PolarHBondContact N-O 2.84Å; L429-D450 PolarHBondContact O-N 3.03Å; L429-D475 WeakPolarHBondContact CD1-O 3.49Å; L429-I477 HydrophobicContact CD1-CG1 3.89Å
430	V	88.1	Confident	82.7	Confident	0 Å²	0	76.6 Å²	76.6	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	106.4	175.1	-180	0	0	0	0	109.9	A433 C447 L449 E473 D475 R476 L478	V430-A433 HydrophobicContact CG1-CB 4.2Å; V430-C447 HydrophobicContact CG1-CB 4.37Å; V430-L449 HydrophobicContact CG2-CD2 3.88Å; V430-E473 WeakPolarHBondContact CB-O 2.97Å; V430-E473 WeakPolarHBondContact CG1-O 3.46Å; V430-D475 PolarHBondContact O-N 2.81Å; V430-R476 WeakPolarHBondContact CG2-O 3.36Å; V430-R476 PolarHBondContact N-O 3.43Å; V430-L478 HydrophobicContact CG2-CB 4.33Å; V430-L478 HydrophobicContact CG2-CD1 3.39Å; V430-L478 HydrophobicContact CG2-CG 3.65Å
431	V	82	Confident	83	Confident	53 Å²	53	67.1 Å²	67.1	32%	0.321	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-38.8	177.5	-179.4	0	0	0	0	111.2	L429 T448 D450	L429-V431 PolarHBondContact O-N 3.31Å; V431-T448 PolarHBondContact N-O 3.28Å; V431-D450 HydrophobicContact CG2-CB 3.46Å; V431-D450 VanDerWaalsContact CG2-CB 3.46Å
432	A	83.2	Confident	83.6	Confident	43 Å²	43	69.2 Å²	69.2	36%	0.355	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	143.6	-180	0	0	0	0	0	110.7	C447 T448	A432-C447 CarbonylContact O-C 3.43Å; A432-C447 VanDerWaalsContact O-CA 3.22Å; A432-C447 WeakPolarHBondContact O-CA 3.35Å; A432-T448 PolarHBondContact O-N 2.89Å
433	A	86.2	Confident	83.9	Confident	36 Å²	36	67.6 Å²	67.6	30%	0.298	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	134.8	172.2	0	0	0	0	0	108.8	V430 I446 C447 L472	V430-A433 HydrophobicContact CG1-CB 4.2Å; A433-I446 CarbonylContact C-O 3.52Å; A433-I446 WeakPolarHBondContact CA-O 3.09Å; A433-C447 HydrophobicContact CB-CB 4.38Å; A433-L472 HydrophobicContact CB-CB 4.27Å; A433-L472 WeakPolarHBondContact CB-O 3.45Å
434	R	86.6	Confident	84	Confident	130 Å²	130	65.9 Å²	65.9	49%	0.491	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	146.3	175.6	63.4	179.8	176.1	-174.8	-3.7	110.7	M436 I446	R434-M436 HydrophobicContact CG-CG 4.46Å; R434-I446 HydrophobicContact CG-CB 3.89Å; R434-I446 PolarHBondContact N-O 3.11Å; R434-I446 PolarHBondContact O-N 2.97Å
435	V	85.7	Confident	84.1	Confident	75 Å²	75	64.2 Å²	64.2	46%	0.455	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	126	170.9	-178.4	0	0	0	0	108	I444 L465	V435-I444 CarbonylContact C-O 3.45Å; V435-I444 WeakPolarHBondContact CA-O 3.31Å; V435-L465 HydrophobicContact CG1-CD2 3.94Å; V435-L465 HydrophobicContact CG2-CD1 4.35Å
436	M	83.5	Confident	84.1	Confident	84 Å²	84	63.8 Å²	63.8	41%	0.414	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	148.1	179.3	-66.9	179.8	67.4	0	0	110.4	R434 R443 I444 I446	R434-M436 HydrophobicContact CG-CG 4.46Å; M436-R443 CarbonylContact O-C 3.38Å; M436-R443 WeakPolarHBondContact O-CA 3.45Å; M436-I444 HydrophobicContact CB-CD1 4.41Å; M436-I444 HydrophobicContact CB-CG1 3.99Å; M436-I444 PolarHBondContact N-O 3.29Å; M436-I444 WeakPolarHBondContact O-CG1 3.5Å; M436-I444 PolarHBondContact O-N 3.2Å; M436-I446 HydrophobicContact SD-CD1 3.87Å
437	V	83.5	Confident	84.3	Confident	104 Å²	104	63.8 Å²	63.8	63%	0.63	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	123.2	171.9	-174.1	0	0	0	0	108.1	R443	V437-R443 HydrophobicContact CG2-CG 4.47Å
438	T	80.4	Confident	84.3	Confident	47 Å²	47	64.8 Å²	64.8	29%	0.288	33%	0.332	S	S	.	.			trans	-70.3	161.5	176.7	63	0	0	0	0	110.9	R440 G441 N442 I444	T438-R440 PolarHBondContact O-N 2.84Å; T438-G441 PolarHBondContact O-N 3.44Å; T438-N442 WeakPolarHBondContact CG2-O 3.35Å; T438-N442 PolarHBondContact N-O 3.1Å; T438-N442 PolarHBondContact OG1-N 2.98Å; T438-N442 VanDerWaalsContact OG1-N 3.17Å; T438-N442 PolarHBondContact OG1-O 3.06Å; T438-I444 HydrophobicContact CG2-CD1 3.9Å; T438-I444 HydrophobicContact CG2-CG1 4.03Å; T438-I444 HydrophobicContact CG2-CG2 3.8Å
439	K	77	Confident	84.4	Confident	223 Å²	223	64.8 Å²	64.8	97%	0.97	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-19.7	175.1	-68.6	-175.7	178.1	-178.8	0	114.1
440	R	75.4	Confident	84.2	Confident	230 Å²	230	65.4 Å²	65.4	87%	0.868	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	3.1	177.4	-63.5	-177.1	-179	177.4	0.2	113.5	T438	T438-R440 PolarHBondContact O-N 2.84Å
441	G	76.1	Confident	83.8	Confident	52 Å²	52	66.1 Å²	66.1	54%	0.536	34%	0.34	S	S	.	.	S	Bend	trans	87.9	-8.8	-179.5	0	0	0	0	0	115.3	T438	T438-G441 PolarHBondContact O-N 3.44Å
442	N	82.5	Confident	83.3	Confident	92 Å²	92	70.2 Å²	70.2	49%	0.492	35%	0.349	S	S	.	.			trans	-74.8	139.2	179.1	-62.6	-18.8	0	0	0	111.2	T438	T438-N442 WeakPolarHBondContact CG2-O 3.35Å; T438-N442 PolarHBondContact N-O 3.1Å; T438-N442 PolarHBondContact OG1-N 2.98Å; T438-N442 VanDerWaalsContact OG1-N 3.17Å; T438-N442 PolarHBondContact OG1-O 3.06Å
443	R	85.5	Confident	82.6	Confident	109 Å²	109	69.8 Å²	69.8	41%	0.411	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	135	175	-59.9	-172.9	-63.8	-175.7	0.6	110.2	M436 V437 T462 L465 D466	M436-R443 CarbonylContact O-C 3.38Å; M436-R443 WeakPolarHBondContact O-CA 3.45Å; V437-R443 HydrophobicContact CG2-CG 4.47Å; R443-T462 PolarHBondContact O-OG1 2.83Å; R443-L465 HydrophobicContact CB-CD2 3.82Å; R443-D466 IonicContact CZ-OD1 2.8Å; R443-D466 IonicContact NH2-OD1 3.43Å; R443-D466 PolarHBondContact NH2-OD1 3.4Å; R443-D466 IonicContact NH2-OD2 3.51Å
444	I	87.1	Confident	81.7	Confident	32 Å²	32	69.1 Å²	69.1	16%	0.164	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	137.2	173.7	57.9	170.4	0	0	0	109.6	V435 M436 T438 I446 L460 F461	V435-I444 CarbonylContact C-O 3.45Å; V435-I444 WeakPolarHBondContact CA-O 3.31Å; M436-I444 HydrophobicContact CB-CD1 4.41Å; M436-I444 HydrophobicContact CB-CG1 3.99Å; M436-I444 PolarHBondContact N-O 3.29Å; M436-I444 WeakPolarHBondContact O-CG1 3.5Å; M436-I444 PolarHBondContact O-N 3.2Å; T438-I444 HydrophobicContact CG2-CD1 3.9Å; T438-I444 HydrophobicContact CG2-CG1 4.03Å; T438-I444 HydrophobicContact CG2-CG2 3.8Å; I444-I446 HydrophobicContact CD1-CD1 4.42Å; I444-L460 WeakPolarHBondContact CA-O 3.44Å; I444-F461 HydrophobicContact CG2-CD1 4.28Å
445	G	87.1	Confident	81.5	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	136.5	169.2	0	0	0	0	0	109.8	M459 L460	G445-M459 CarbonylContact O-C 3.26Å; G445-M459 WeakPolarHBondContact O-CA 3.34Å; G445-L460 PolarHBondContact N-O 2.95Å; G445-L460 PolarHBondContact O-N 3.44Å
446	I	87.9	Confident	81.4	Confident	17 Å²	17	64.4 Å²	64.4	9%	0.087	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	121	170.7	-58	173.1	0	0	0	106.9	A433 R434 M436 I444 V458 M459	A433-I446 CarbonylContact C-O 3.52Å; A433-I446 WeakPolarHBondContact CA-O 3.09Å; R434-I446 HydrophobicContact CG-CB 3.89Å; R434-I446 PolarHBondContact N-O 3.11Å; R434-I446 PolarHBondContact O-N 2.97Å; M436-I446 HydrophobicContact SD-CD1 3.87Å; I444-I446 HydrophobicContact CD1-CD1 4.42Å; I446-V458 WeakPolarHBondContact CA-O 3.39Å; I446-M459 HydrophobicContact CG1-CG 4.46Å
447	C	90.2	Very high	81.6	Confident	1 Å²	1	63 Å²	63	1%	0.007	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	151.2	169.7	63.2	0	0	0	0	111.2	V430 A432 A433 V458 L472	V430-C447 HydrophobicContact CG1-CB 4.37Å; A432-C447 CarbonylContact O-C 3.43Å; A432-C447 VanDerWaalsContact O-CA 3.22Å; A432-C447 WeakPolarHBondContact O-CA 3.35Å; A433-C447 HydrophobicContact CB-CB 4.38Å; C447-V458 PolarHBondContact N-O 3.24Å; C447-V458 PolarHBondContact O-N 2.74Å; C447-V458 VanDerWaalsContact SG-CB 3.59Å; C447-L472 HydrophobicContact CB-CD2 4.12Å
448	T	88.1	Confident	81.9	Confident	28 Å²	28	58 Å²	58	17%	0.172	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	115.2	176.6	-55.5	0	0	0	0	108.4	V431 A432 R455 L456	V431-T448 PolarHBondContact N-O 3.28Å; A432-T448 PolarHBondContact O-N 2.89Å; T448-R455 HydrophobicContact CG2-CB 4.02Å; T448-R455 HydrophobicContact CG2-CG 4.38Å; T448-L456 WeakPolarHBondContact CA-O 3.39Å
449	L	88.1	Confident	82.3	Confident	0 Å²	0	58 Å²	58	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	136.7	175.2	-65.5	-178.5	0	0	0	110	L412 L429 V430 R455 L456 V458 L478 V480	L412-L449 HydrophobicContact CD1-CB 4.43Å; L429-L449 CarbonylContact O-C 3.54Å; L429-L449 WeakPolarHBondContact O-CA 3.41Å; V430-L449 HydrophobicContact CG2-CD2 3.88Å; L449-R455 CarbonylContact O-C 3.6Å; L449-R455 VanDerWaalsContact O-CA 3.25Å; L449-R455 WeakPolarHBondContact O-CA 3.43Å; L449-L456 PolarHBondContact N-O 3.43Å; L449-L456 PolarHBondContact O-N 2.84Å; L449-V458 HydrophobicContact CD1-CG2 3.68Å; L449-V458 HydrophobicContact CG-CG2 3.97Å; L449-L478 HydrophobicContact CD2-CB 4.2Å; L449-V480 HydrophobicContact CD1-CB 4.26Å; L449-V480 HydrophobicContact CD1-CG2 3.79Å
450	D	84.6	Confident	82.9	Confident	18 Å²	18	47.4 Å²	47.4	10%	0.096	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	131.6	177	-162.7	-22.2	0	0	0	110.2	H394 G428 L429 V431 R452 R455	H394-D450 PolarHBondContact CE1-O 2.83Å; G428-D450 CarbonylContact C-O 3.54Å; G428-D450 VanDerWaalsContact CA-O 3.31Å; G428-D450 WeakPolarHBondContact CA-O 3.31Å; L429-D450 PolarHBondContact N-O 2.84Å; L429-D450 PolarHBondContact O-N 3.03Å; V431-D450 HydrophobicContact CG2-CB 3.46Å; V431-D450 VanDerWaalsContact CG2-CB 3.46Å; D450-R452 PolarHBondContact OD1-N 2.99Å; D450-R455 HydrophobicContact CB-CG 4.16Å; D450-R455 IonicContact OD2-CZ 3.58Å; D450-R455 IonicContact OD2-NE 2.84Å; D450-R455 PolarHBondContact OD2-NE 3.37Å; D450-R455 IonicContact OD2-NH2 3.21Å
451	D	78.2	Confident	83.5	Confident	15 Å²	15	42.1 Å²	42.1	8%	0.08	21%	0.211	C	C	.	.			trans	-121.6	19	178.8	80.1	-20.1	0	0	0	112.7	I396 L412 S453 G454	I396-D451 HydrophobicContact CD1-CB 3.84Å; L412-D451 WeakPolarHBondContact CB-OD1 3.17Å; L412-D451 HydrophobicContact CD1-CB 3.73Å; L412-D451 HydrophobicContact CG-CB 3.87Å; L412-D451 WeakPolarHBondContact CG-OD2 3.48Å; L412-D451 PolarHBondContact N-OD2 3.49Å; D451-S453 PolarHBondContact O-N 3.27Å; D451-S453 VanDerWaalsContact OD1-CA 3.31Å; D451-S453 WeakPolarHBondContact OD1-CA 3.27Å; D451-S453 WeakPolarHBondContact OD1-CB 3.21Å; D451-S453 PolarHBondContact OD1-N 3.23Å; D451-S453 PolarHBondContact OD1-OG 3.37Å; D451-S453 PolarHBondContact OD2-OG 2.96Å; D451-G454 PolarHBondContact N-O 3.16Å; D451-G454 PolarHBondContact OD1-N 3.2Å
452	R	71.9	Confident	83.7	Confident	139 Å²	139	41.5 Å²	41.5	53%	0.525	20%	0.197	S	C	.	.	S	Bend	trans	70.3	-26	-169.4	-171.5	-172.2	177.7	-179.9	4.8	114.2	H394 D450	H394-R452 HydrophobicContact CB-CB 3.97Å; H394-R452 HydrophobicContact CB-CG 4.34Å; D450-R452 PolarHBondContact OD1-N 2.99Å
453	S	68.5	Low	83.8	Confident	34 Å²	34	43.9 Å²	43.9	24%	0.238	21%	0.21	C	C	.	.	S	Bend	trans	-85.6	-31.6	-179.9	87.3	0	0	0	0	112.3	L412 K413 D451	L412-S453 PolarHBondContact N-OG 3.29Å; K413-S453 WeakPolarHBondContact CG-OG 3.4Å; K413-S453 PolarHBondContact N-OG 3.03Å; K413-S453 VanDerWaalsContact N-OG 3.13Å; D451-S453 PolarHBondContact O-N 3.27Å; D451-S453 VanDerWaalsContact OD1-CA 3.31Å; D451-S453 WeakPolarHBondContact OD1-CA 3.27Å; D451-S453 WeakPolarHBondContact OD1-CB 3.21Å; D451-S453 PolarHBondContact OD1-N 3.23Å; D451-S453 PolarHBondContact OD1-OG 3.37Å; D451-S453 PolarHBondContact OD2-OG 2.96Å
454	G	69	Low	83.7	Confident	21 Å²	21	39.3 Å²	39.3	22%	0.216	20%	0.196	C	C	.	.			trans	-170.2	177.5	177.6	0	0	0	0	0	111.8	L412 D451	L412-G454 VanDerWaalsContact CD1-O 3.3Å; L412-G454 WeakPolarHBondContact CD1-O 3.44Å; D451-G454 PolarHBondContact N-O 3.16Å; D451-G454 PolarHBondContact OD1-N 3.2Å
455	R	80.5	Confident	83.5	Confident	103 Å²	103	37.8 Å²	37.8	39%	0.389	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	138.3	173.3	-68.2	-175.4	179.8	143.5	11	109.9	D232 T448 L449 D450	D232-R455 IonicContact OD1-NH2 2.6Å; D232-R455 PolarHBondContact OD1-NH2 2.81Å; D232-R455 IonicContact OD2-CZ 2.86Å; D232-R455 IonicContact OD2-NH1 2.66Å; D232-R455 PolarHBondContact OD2-NH1 3.46Å; D232-R455 IonicContact OD2-NH2 3.41Å; D232-R455 PolarHBondContact OD2-NH2 3.13Å; T448-R455 HydrophobicContact CG2-CB 4.02Å; T448-R455 HydrophobicContact CG2-CG 4.38Å; L449-R455 CarbonylContact O-C 3.6Å; L449-R455 VanDerWaalsContact O-CA 3.25Å; L449-R455 WeakPolarHBondContact O-CA 3.43Å; D450-R455 HydrophobicContact CB-CG 4.16Å; D450-R455 IonicContact OD2-CZ 3.58Å; D450-R455 IonicContact OD2-NE 2.84Å; D450-R455 PolarHBondContact OD2-NE 3.37Å; D450-R455 IonicContact OD2-NH2 3.21Å
456	L	84.5	Confident	83.4	Confident	3 Å²	3	41.9 Å²	41.9	2%	0.016	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	125.5	177.3	-177.6	72.2	0	0	0	109.8	L412 M415 A426 T448 L449 V458 L493 M495	L412-L456 HydrophobicContact CD1-CB 4.23Å; L412-L456 HydrophobicContact CD2-CB 3.9Å; L412-L456 HydrophobicContact CD2-CD2 3.87Å; M415-L456 HydrophobicContact CE-CD2 4.43Å; M415-L456 HydrophobicContact SD-CD2 3.74Å; A426-L456 HydrophobicContact CB-CD2 4.04Å; T448-L456 WeakPolarHBondContact CA-O 3.39Å; L449-L456 PolarHBondContact N-O 3.43Å; L449-L456 PolarHBondContact O-N 2.84Å; L456-V458 HydrophobicContact CD2-CG2 4.24Å; L456-V458 HydrophobicContact CG-CG2 4.37Å; L456-L493 HydrophobicContact CD1-CB 3.63Å; L456-L493 WeakPolarHBondContact CD1-O 3.4Å; L456-M495 HydrophobicContact CD1-CB 4.46Å; L456-M495 HydrophobicContact CD2-CB 3.85Å; L456-M495 HydrophobicContact CD2-CG 4.45Å; L456-M495 HydrophobicContact CD2-SD 3.7Å; L456-M495 HydrophobicContact CG-CB 4.21Å
457	E	87.4	Confident	83.2	Confident	54 Å²	54	48.2 Å²	48.2	25%	0.252	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	123.9	170.3	-78.6	-166.6	170	0	0	110	K494 M495	E457-K494 HydrophobicContact CB-CG 4.38Å; E457-K494 WeakPolarHBondContact O-CA 3.49Å; E457-K494 VanDerWaalsContact OE2-CE 3.26Å; E457-K494 WeakPolarHBondContact OE2-CE 3.44Å; E457-M495 PolarHBondContact O-N 3.4Å
458	V	89.6	Confident	83	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	126.2	179.4	172.6	0	0	0	0	108.7	I446 C447 L449 L456 L460 V480 M495 A497	I446-V458 WeakPolarHBondContact CA-O 3.39Å; C447-V458 PolarHBondContact N-O 3.24Å; C447-V458 PolarHBondContact O-N 2.74Å; C447-V458 VanDerWaalsContact SG-CB 3.59Å; L449-V458 HydrophobicContact CD1-CG2 3.68Å; L449-V458 HydrophobicContact CG-CG2 3.97Å; L456-V458 HydrophobicContact CD2-CG2 4.24Å; L456-V458 HydrophobicContact CG-CG2 4.37Å; V458-L460 HydrophobicContact CG1-CD1 4.33Å; V458-V480 HydrophobicContact CG1-CG1 3.87Å; V458-V480 HydrophobicContact CG1-CG2 4.47Å; V458-M495 CarbonylContact C-O 3.58Å; V458-M495 VanDerWaalsContact CA-O 3.31Å; V458-M495 WeakPolarHBondContact CA-O 3.2Å; V458-M495 HydrophobicContact CG2-CB 3.97Å; V458-M495 HydrophobicContact CG2-CG 4.46Å; V458-M495 HydrophobicContact CG2-SD 4.22Å; V458-A497 HydrophobicContact CG1-CB 3.77Å
459	M	90.2	Very high	82.7	Confident	47 Å²	47	52.4 Å²	52.4	23%	0.232	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	131.2	178.3	-63.8	-170.6	-64.2	0	0	110.8	G445 I446 K494 M495 A497	G445-M459 CarbonylContact O-C 3.26Å; G445-M459 WeakPolarHBondContact O-CA 3.34Å; I446-M459 HydrophobicContact CG1-CG 4.46Å; M459-K494 HydrophobicContact CE-CB 4.4Å; M459-K494 HydrophobicContact CE-CD 4.03Å; M459-K494 HydrophobicContact SD-CD 4.33Å; M459-M495 PolarHBondContact N-O 3.15Å; M459-A497 PolarHBondContact O-N 3.47Å
460	L	88.6	Confident	82.5	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	119.1	173.6	-61	92.2	0	0	0	109.3	I444 G445 V458 A464 L465 L472 A497 V500	I444-L460 WeakPolarHBondContact CA-O 3.44Å; G445-L460 PolarHBondContact N-O 2.95Å; G445-L460 PolarHBondContact O-N 3.44Å; V458-L460 HydrophobicContact CG1-CD1 4.33Å; L460-A464 HydrophobicContact CB-CB 4.36Å; L460-A464 HydrophobicContact CD2-CB 4.47Å; L460-L465 HydrophobicContact CB-CB 4.32Å; L460-L472 HydrophobicContact CD1-CD1 3.87Å; L460-L472 HydrophobicContact CD1-CD2 3.85Å; L460-L472 HydrophobicContact CD2-CD1 4.07Å; L460-L472 HydrophobicContact CD2-CD2 4.18Å; L460-L472 HydrophobicContact CD2-CG 4.49Å; L460-A497 HydrophobicContact CG-CB 4.06Å; L460-V500 HydrophobicContact CD2-CG2 3.94Å
461	F	87.1	Confident	82.4	Confident	119 Å²	119	60.3 Å²	60.3	52%	0.522	29%	0.29	S	S	.	.			trans	-76.8	167.2	170.9	-72.5	-74.6	0	0	0	111.3	I444 D463 A464 L465 T496	I444-F461 HydrophobicContact CG2-CD1 4.28Å; F461-D463 VanDerWaalsContact C-N 3.32Å; F461-D463 PolarHBondContact O-N 3.34Å; F461-D463 VanDerWaalsContact O-N 3.12Å; F461-A464 PolarHBondContact O-N 3.29Å; F461-L465 WeakPolarHBondContact O-CB 3.47Å; F461-L465 PolarHBondContact O-N 3.2Å; F461-T496 HydrophobicContact CD2-CG2 3.74Å; F461-T496 HydrophobicContact CE2-CG2 3.55Å
462	T	81.5	Confident	82.6	Confident	39 Å²	39	60.6 Å²	60.6	24%	0.239	29%	0.291	C	S	.	.	H	α-helix	trans	-42.7	-51.9	-172.3	-43	0	0	0	0	113.7	R443 A464 L465 D466	R443-T462 PolarHBondContact O-OG1 2.83Å; T462-A464 PolarHBondContact O-N 3.32Å; T462-L465 PolarHBondContact O-N 3.43Å; T462-D466 WeakPolarHBondContact O-CB 3.34Å; T462-D466 VanDerWaalsContact O-CG 3.31Å; T462-D466 PolarHBondContact O-N 3.05Å
463	D	83.2	Confident	83.1	Confident	141 Å²	141	58.4 Å²	58.4	75%	0.754	29%	0.287	S	S	*	.	H	α-helix	trans	-62.7	-40.6	-177	-56.8	-16.7	0	0	0	113	F461 K467	F461-D463 VanDerWaalsContact C-N 3.32Å; F461-D463 PolarHBondContact O-N 3.34Å; F461-D463 VanDerWaalsContact O-N 3.12Å; D463-K467 PolarHBondContact O-N 2.93Å
464	A	83.7	Confident	83.8	Confident	14 Å²	14	63 Å²	63	12%	0.116	30%	0.303	C	S	.	.	H	α-helix	trans	-75.7	-36.4	177.6	0	0	0	0	0	111.3	L460 F461 T462 K467 Y468	L460-A464 HydrophobicContact CB-CB 4.36Å; L460-A464 HydrophobicContact CD2-CB 4.47Å; F461-A464 PolarHBondContact O-N 3.29Å; T462-A464 PolarHBondContact O-N 3.32Å; A464-K467 PolarHBondContact O-N 3Å; A464-Y468 HydrophobicContact CB-CD2 4.48Å; A464-Y468 WeakPolarHBondContact O-CB 3.44Å; A464-Y468 VanDerWaalsContact O-CD2 3.24Å; A464-Y468 WeakPolarHBondContact O-CD2 3.4Å; A464-Y468 PolarHBondContact O-N 3.29Å
465	L	84.6	Confident	84.2	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-64.1	-50.9	177.4	-178.2	65.5	0	0	0	110.5	V435 R443 L460 F461 T462 K467 Y468 Q469 L472	V435-L465 HydrophobicContact CG1-CD2 3.94Å; V435-L465 HydrophobicContact CG2-CD1 4.35Å; R443-L465 HydrophobicContact CB-CD2 3.82Å; L460-L465 HydrophobicContact CB-CB 4.32Å; F461-L465 WeakPolarHBondContact O-CB 3.47Å; F461-L465 PolarHBondContact O-N 3.2Å; T462-L465 PolarHBondContact O-N 3.43Å; L465-K467 PolarHBondContact O-N 2.67Å; L465-K467 VanDerWaalsContact O-N 3.16Å; L465-Y468 PolarHBondContact O-N 2.92Å; L465-Q469 HydrophobicContact CD1-CB 4.4Å; L465-Q469 HydrophobicContact CD1-CG 4.41Å; L465-Q469 WeakPolarHBondContact O-CA 3.46Å; L465-Q469 WeakPolarHBondContact O-CB 3.49Å; L465-Q469 PolarHBondContact O-N 3.13Å; L465-L472 HydrophobicContact CD1-CD1 3.71Å
466	D	83.3	Confident	84.3	Confident	86 Å²	86	64.5 Å²	64.5	46%	0.46	31%	0.307	S	S	.	.	H	α-helix	trans	-60.3	-30.6	-178	-69.8	-17.3	0	0	0	111.9	R443 T462	R443-D466 IonicContact CZ-OD1 2.8Å; R443-D466 IonicContact NH2-OD1 3.43Å; R443-D466 PolarHBondContact NH2-OD1 3.4Å; R443-D466 IonicContact NH2-OD2 3.51Å; T462-D466 WeakPolarHBondContact O-CB 3.34Å; T462-D466 VanDerWaalsContact O-CG 3.31Å; T462-D466 PolarHBondContact O-N 3.05Å
467	K	85.3	Confident	84.4	Confident	149 Å²	149	65.1 Å²	65.1	65%	0.648	31%	0.31	S	S	*	.	H	α-helix	trans	-80	-41.8	176.5	-170.7	176	178.2	-164.4	0	113.8	D463 A464 L465	D463-K467 PolarHBondContact O-N 2.93Å; A464-K467 PolarHBondContact O-N 3Å; L465-K467 PolarHBondContact O-N 2.67Å; L465-K467 VanDerWaalsContact O-N 3.16Å
468	Y	86	Confident	84.5	Confident	24 Å²	24	62.6 Å²	62.6	9%	0.094	30%	0.298	C	S	.	.	H	α-helix	trans	-112.8	9.7	-168.2	-60.3	-68	0	0	0	114.2	A464 L465 Q470 L471 V500	A464-Y468 HydrophobicContact CB-CD2 4.48Å; A464-Y468 WeakPolarHBondContact O-CB 3.44Å; A464-Y468 VanDerWaalsContact O-CD2 3.24Å; A464-Y468 WeakPolarHBondContact O-CD2 3.4Å; A464-Y468 PolarHBondContact O-N 3.29Å; L465-Y468 PolarHBondContact O-N 2.92Å; Y468-Q470 PolarHBondContact O-N 3.42Å; Y468-Q470 VanDerWaalsContact O-N 3.12Å; Y468-L471 HydrophobicContact CD1-CD1 3.76Å; Y468-L471 WeakPolarHBondContact O-CB 3.47Å; Y468-L471 PolarHBondContact O-N 2.9Å; Y468-V500 HydrophobicContact CD1-CB 4.12Å; Y468-V500 WeakPolarHBondContact CD1-O 3.3Å; Y468-V500 HydrophobicContact CD2-CB 4.25Å; Y468-V500 HydrophobicContact CD2-CG2 4.38Å; Y468-V500 WeakPolarHBondContact CE1-O 3.24Å; Y468-V500 HydrophobicContact CG-CB 3.93Å; Y468-V500 HydrophobicContact CG-CG2 4.4Å
469	Q	80.8	Confident	84.5	Confident	93 Å²	93	62.6 Å²	62.6	44%	0.435	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-53.9	-36.7	-177.1	-172.1	174	-11.2	0	0	112.8	L465 L471 L472	L465-Q469 HydrophobicContact CD1-CB 4.4Å; L465-Q469 HydrophobicContact CD1-CG 4.41Å; L465-Q469 WeakPolarHBondContact O-CA 3.46Å; L465-Q469 WeakPolarHBondContact O-CB 3.49Å; L465-Q469 PolarHBondContact O-N 3.13Å; Q469-L471 PolarHBondContact O-N 3.41Å; Q469-L472 PolarHBondContact O-N 2.94Å
470	Q	83.6	Confident	84.4	Confident	167 Å²	167	60.4 Å²	60.4	78%	0.78	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-68	-21.4	179.7	-66	-177.5	-11	0	0	113.6	Y468	Y468-Q470 PolarHBondContact O-N 3.42Å; Y468-Q470 VanDerWaalsContact O-N 3.12Å
471	L	82.7	Confident	84.4	Confident	17 Å²	17	60.8 Å²	60.8	9%	0.089	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-83.7	-17.6	177.8	-59.6	-177.2	0	0	0	112.2	Y468 Q469 E473 L478 V500 D502	Y468-L471 HydrophobicContact CD1-CD1 3.76Å; Y468-L471 WeakPolarHBondContact O-CB 3.47Å; Y468-L471 PolarHBondContact O-N 2.9Å; Q469-L471 PolarHBondContact O-N 3.41Å; L471-E473 PolarHBondContact O-N 3.21Å; L471-L478 HydrophobicContact CB-CD2 4.07Å; L471-V500 HydrophobicContact CB-CG1 4.39Å; L471-V500 HydrophobicContact CD1-CB 4.5Å; L471-V500 HydrophobicContact CD1-CG1 4.04Å; L471-D502 HydrophobicContact CD2-CB 4.43Å
472	L	82.8	Confident	84.5	Confident	21 Å²	21	55.1 Å²	55.1	11%	0.11	27%	0.265	C	S	.	.			trans	-81.2	54.9	-177.6	-58.2	179.6	0	0	0	112.1	A433 C447 L460 L465 Q469 L478	A433-L472 HydrophobicContact CB-CB 4.27Å; A433-L472 WeakPolarHBondContact CB-O 3.45Å; C447-L472 HydrophobicContact CB-CD2 4.12Å; L460-L472 HydrophobicContact CD1-CD1 3.87Å; L460-L472 HydrophobicContact CD1-CD2 3.85Å; L460-L472 HydrophobicContact CD2-CD1 4.07Å; L460-L472 HydrophobicContact CD2-CD2 4.18Å; L460-L472 HydrophobicContact CD2-CG 4.49Å; L465-L472 HydrophobicContact CD1-CD1 3.71Å; Q469-L472 PolarHBondContact O-N 2.94Å; L472-L478 HydrophobicContact CD2-CD1 4.17Å
473	E	82.3	Confident	84.8	Confident	94 Å²	94	55.8 Å²	55.8	44%	0.439	27%	0.266	S	S	.	.			trans	-102.1	149	173.7	-68.4	179.5	-178	0	0	110.3	V430 L471 R476	V430-E473 WeakPolarHBondContact CB-O 2.97Å; V430-E473 WeakPolarHBondContact CG1-O 3.46Å; L471-E473 PolarHBondContact O-N 3.21Å; E473-R476 HydrophobicContact CB-CG 4.13Å; E473-R476 IonicContact OE1-NH2 2.69Å; E473-R476 PolarHBondContact OE1-NH2 2.88Å; E473-R476 IonicContact OE2-CZ 2.81Å; E473-R476 IonicContact OE2-NE 3.98Å; E473-R476 PolarHBondContact OE2-NE 3.27Å; E473-R476 IonicContact OE2-NH2 3.64Å; E473-R476 PolarHBondContact OE2-NH2 2.79Å
474	K	82.2	Confident	85	Confident	130 Å²	130	49.2 Å²	49.2	57%	0.565	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	145.7	172.4	-66.3	-175.5	177.6	-176.3	0	109.3	R476	K474-R476 PolarHBondContact O-N 3.42Å
475	D	77.6	Confident	85	Confident	67 Å²	67	51.2 Å²	51.2	36%	0.358	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	6.5	172.7	-44.3	-38.5	0	0	0	115.8	R384 L429 V430	R384-D475 IonicContact CZ-OD1 3.8Å; R384-D475 IonicContact CZ-OD2 3.45Å; R384-D475 IonicContact NH1-OD1 3.8Å; R384-D475 PolarHBondContact NH1-OD1 3.23Å; R384-D475 IonicContact NH1-OD2 2.67Å; R384-D475 PolarHBondContact NH1-OD2 2.96Å; R384-D475 VanDerWaalsContact NH2-CG 3.33Å; R384-D475 IonicContact NH2-OD1 2.86Å; R384-D475 PolarHBondContact NH2-OD1 2.91Å; R384-D475 IonicContact NH2-OD2 2.67Å; R384-D475 PolarHBondContact NH2-OD2 2.94Å; R384-D475 VanDerWaalsContact NH2-OD2 3.13Å; L429-D475 WeakPolarHBondContact CD1-O 3.49Å; V430-D475 PolarHBondContact O-N 2.81Å
476	R	83.5	Confident	84.6	Confident	89 Å²	89	55.8 Å²	55.8	34%	0.336	26%	0.264	S	S	.	.			trans	-83.2	143.4	166	-65.9	-165.6	-176.3	-158.6	7	110.5	V430 E473 K474 L478	V430-R476 WeakPolarHBondContact CG2-O 3.36Å; V430-R476 PolarHBondContact N-O 3.43Å; E473-R476 HydrophobicContact CB-CG 4.13Å; E473-R476 IonicContact OE1-NH2 2.69Å; E473-R476 PolarHBondContact OE1-NH2 2.88Å; E473-R476 IonicContact OE2-CZ 2.81Å; E473-R476 IonicContact OE2-NE 3.98Å; E473-R476 PolarHBondContact OE2-NE 3.27Å; E473-R476 IonicContact OE2-NH2 3.64Å; E473-R476 PolarHBondContact OE2-NH2 2.79Å; K474-R476 PolarHBondContact O-N 3.42Å; R476-L478 HydrophobicContact CB-CD2 4.37Å
477	I	86.7	Confident	84	Confident	16 Å²	16	53.2 Å²	53.2	8%	0.082	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	119.5	169.2	-66	171	0	0	0	107.4	Y399 G428 L429	Y399-I477 HydrophobicContact CD2-CD1 3.22Å; Y399-I477 HydrophobicContact CE2-CD1 3.09Å; Y399-I477 HydrophobicContact CG-CD1 4.28Å; G428-I477 WeakPolarHBondContact O-CA 3.38Å; L429-I477 HydrophobicContact CD1-CG1 3.89Å
478	L	89.1	Confident	82.8	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	142.4	179.5	-61.6	-176.7	0	0	0	110.1	A427 G428 V430 L449 L471 L472 R476 V480 V500 M501 D502	A427-L478 WeakPolarHBondContact CA-O 3.5Å; G428-L478 PolarHBondContact N-O 2.79Å; G428-L478 VanDerWaalsContact N-O 3.1Å; G428-L478 PolarHBondContact O-N 2.83Å; V430-L478 HydrophobicContact CG2-CB 4.33Å; V430-L478 HydrophobicContact CG2-CD1 3.39Å; V430-L478 HydrophobicContact CG2-CG 3.65Å; L449-L478 HydrophobicContact CD2-CB 4.2Å; L471-L478 HydrophobicContact CB-CD2 4.07Å; L472-L478 HydrophobicContact CD2-CD1 4.17Å; R476-L478 HydrophobicContact CB-CD2 4.37Å; L478-V480 HydrophobicContact CB-CG2 4.27Å; L478-V500 HydrophobicContact CB-CG1 4.36Å; L478-V500 HydrophobicContact CD1-CG1 3.94Å; L478-V500 HydrophobicContact CD2-CG1 4.22Å; L478-V500 HydrophobicContact CG-CG1 4.42Å; L478-M501 WeakPolarHBondContact CA-O 3.25Å; L478-D502 HydrophobicContact CD2-CB 4.27Å
479	I	88.6	Confident	81.2	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	112.1	169.7	-65.7	162	0	0	0	106.4	Y406 T425 A426 A427 M501 I503 A506	Y406-I479 HydrophobicContact CD2-CD1 3.63Å; Y406-I479 HydrophobicContact CE2-CD1 4.19Å; T425-I479 HydrophobicContact CG2-CG2 3.37Å; A426-I479 CarbonylContact O-C 3.56Å; A426-I479 WeakPolarHBondContact O-CA 3.29Å; A427-I479 HydrophobicContact CB-CG1 3.92Å; I479-M501 HydrophobicContact CG2-CE 4.17Å; I479-M501 PolarHBondContact N-O 2.86Å; I479-M501 PolarHBondContact O-N 3.42Å; I479-I503 HydrophobicContact CD1-CD1 4.13Å; I479-A506 HydrophobicContact CD1-CB 3.29Å
480	V	89.9	Confident	80	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.006	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127.6	-175.2	-177.6	0	0	0	0	109.1	T425 A426 L449 V458 L478 M495 A497 E499 V500	T425-V480 CarbonylContact C-O 3.49Å; T425-V480 VanDerWaalsContact CA-O 3.31Å; T425-V480 WeakPolarHBondContact CA-O 3.47Å; A426-V480 PolarHBondContact N-O 2.69Å; A426-V480 PolarHBondContact O-N 3.1Å; L449-V480 HydrophobicContact CD1-CB 4.26Å; L449-V480 HydrophobicContact CD1-CG2 3.79Å; V458-V480 HydrophobicContact CG1-CG1 3.87Å; V458-V480 HydrophobicContact CG1-CG2 4.47Å; L478-V480 HydrophobicContact CB-CG2 4.27Å; V480-M495 HydrophobicContact CB-CE 4.36Å; V480-M495 HydrophobicContact CB-SD 4.46Å; V480-M495 HydrophobicContact CG1-CE 4.02Å; V480-M495 HydrophobicContact CG1-SD 4.16Å; V480-M495 WeakPolarHBondContact O-CE 3.32Å; V480-A497 HydrophobicContact CG1-CB 3.53Å; V480-E499 WeakPolarHBondContact CA-O 3.3Å; V480-V500 HydrophobicContact CG1-CG2 4.31Å; V480-V500 HydrophobicContact CG2-CG1 4.29Å; V480-V500 HydrophobicContact CG2-CG2 4.21Å
481	S	88.6	Confident	78.8	Confident	9 Å²	9	50 Å²	50	6%	0.063	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	125.2	171.6	-58.2	0	0	0	0	109.4	I424 T425 R498 E499	I424-S481 WeakPolarHBondContact O-CA 3.39Å; T425-S481 PolarHBondContact OG1-OG 2.84Å; S481-R498 PolarHBondContact O-N 2.95Å; S481-E499 PolarHBondContact N-O 3.35Å; S481-E499 PolarHBondContact O-N 3.5Å; S481-E499 VanDerWaalsContact O-N 3.13Å
482	G	87.9	Confident	78.1	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.3	179.8	-169.2	0	0	0	0	0	114.3	V423 I424 M495 T496	V423-G482 WeakPolarHBondContact CA-O 3.44Å; I424-G482 PolarHBondContact N-O 2.76Å; I424-G482 PolarHBondContact O-N 2.97Å; I424-G482 VanDerWaalsContact O-O 3.13Å; G482-M495 VanDerWaalsContact CA-CE 3.47Å; G482-T496 CarbonylContact C-O 3.37Å; G482-T496 WeakPolarHBondContact CA-O 3.33Å
483	Q	88.2	Confident	77.9	Confident	54 Å²	54	51.5 Å²	51.5	25%	0.252	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	130.6	175.2	-66.6	-175.6	-22.6	0	0	109.2	G421 M495 T496 R498	G421-Q483 VanDerWaalsContact CA-NE2 3.3Å; G421-Q483 VanDerWaalsContact N-NE2 3.15Å; Q483-M495 CarbonylContact O-C 3.49Å; Q483-M495 WeakPolarHBondContact O-CA 3.19Å; Q483-T496 PolarHBondContact N-O 2.73Å; Q483-T496 PolarHBondContact O-N 2.96Å; Q483-R498 VanDerWaalsContact NE2-NH2 3.14Å
484	V	87.1	Confident	78.1	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.012	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	123.3	177.3	177.2	0	0	0	0	109	M415 T418 I424 L493 K494 M495	M415-V484 HydrophobicContact CE-CG2 3.65Å; T418-V484 HydrophobicContact CG2-CB 4.42Å; T418-V484 PolarHBondContact N-O 2.85Å; T418-V484 PolarHBondContact OG1-N 2.8Å; T418-V484 PolarHBondContact OG1-O 2.91Å; I424-V484 HydrophobicContact CG2-CB 4.32Å; I424-V484 HydrophobicContact CG2-CG2 3.47Å; I424-V484 VanDerWaalsContact CG2-CG2 3.47Å; V484-L493 HydrophobicContact CG1-CB 4.08Å; V484-L493 HydrophobicContact CG1-CD2 3.78Å; V484-L493 HydrophobicContact CG1-CG 4.43Å; V484-K494 WeakPolarHBondContact CA-O 3.38Å; V484-M495 HydrophobicContact CG2-CB 4.14Å; V484-M495 HydrophobicContact CG2-CG 3.99Å; V484-M495 HydrophobicContact CG2-SD 4.34Å
485	S	83.7	Confident	78.4	Confident	56 Å²	56	42.5 Å²	42.5	39%	0.392	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	145.7	173.5	59.9	0	0	0	0	109.5	K494	S485-K494 PolarHBondContact N-O 3.05Å; S485-K494 PolarHBondContact O-N 2.96Å; S485-K494 VanDerWaalsContact O-O 3.09Å
486	F	77.8	Confident	79	Confident	97 Å²	97	41 Å²	41	43%	0.425	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	129.1	167.9	-167.8	-100.4	0	0	0	109	P417 D488 L493	P417-F486 HydrophobicContact CG-CB 4.03Å; F486-D488 WeakPolarHBondContact CD1-OD1 3.28Å; F486-D488 WeakPolarHBondContact CE1-OD1 3.48Å; F486-L493 HydrophobicContact CD2-CD2 4.39Å
487	D	70.1	Confident	79.3	Confident	32 Å²	32	37 Å²	37	17%	0.171	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	102.3	172.3	176	38.5	0	0	0	109.2	F489 S490 G491 G492 K494	D487-F489 PolarHBondContact O-N 2.83Å; D487-F489 WeakPolarHBondContact OD1-CB 3.39Å; D487-F489 PolarHBondContact OD1-N 3.33Å; D487-S490 WeakPolarHBondContact CB-OG 3.27Å; D487-S490 VanDerWaalsContact CG-OG 3.31Å; D487-S490 PolarHBondContact O-N 3.34Å; D487-S490 VanDerWaalsContact OD2-CB 3.25Å; D487-S490 WeakPolarHBondContact OD2-CB 3.5Å; D487-S490 PolarHBondContact OD2-N 2.83Å; D487-S490 PolarHBondContact OD2-OG 3.45Å; D487-G491 PolarHBondContact O-N 3.29Å; D487-G492 PolarHBondContact N-O 2.74Å; D487-G492 VanDerWaalsContact N-O 3.11Å; D487-K494 HydrophobicContact CB-CB 4.36Å; D487-K494 HydrophobicContact CB-CD 3.66Å; D487-K494 HydrophobicContact CB-CG 3.78Å; D487-K494 WeakPolarHBondContact OD2-CE 3.04Å; D487-K494 IonicContact OD2-NZ 2.64Å; D487-K494 PolarHBondContact OD2-NZ 3.16Å
488	D	60.4	Low	79.2	Confident	140 Å²	140	43.2 Å²	43.2	75%	0.749	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	-28	177.4	-67.3	-34.7	0	0	0	111.9	F486	F486-D488 WeakPolarHBondContact CD1-OD1 3.28Å; F486-D488 WeakPolarHBondContact CE1-OD1 3.48Å
489	F	51.4	Low	79.1	Confident	159 Å²	159	46.3 Å²	46.3	70%	0.697	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-24.9	-178.2	-158.4	-97.7	0	0	0	114.1	R44 D487	R44-F489 VanDerWaalsContact NH2-C 3.33Å; R44-F489 PolarHBondContact NH2-O 2.78Å; D487-F489 PolarHBondContact O-N 2.83Å; D487-F489 WeakPolarHBondContact OD1-CB 3.39Å; D487-F489 PolarHBondContact OD1-N 3.33Å
490	S	55.8	Low	79.2	Confident	31 Å²	31	46.3 Å²	46.3	22%	0.217	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-9.7	177.3	55.1	0	0	0	0	114.2	D487 G492	D487-S490 WeakPolarHBondContact CB-OG 3.27Å; D487-S490 VanDerWaalsContact CG-OG 3.31Å; D487-S490 PolarHBondContact O-N 3.34Å; D487-S490 VanDerWaalsContact OD2-CB 3.25Å; D487-S490 WeakPolarHBondContact OD2-CB 3.5Å; D487-S490 PolarHBondContact OD2-N 2.83Å; D487-S490 PolarHBondContact OD2-OG 3.45Å; S490-G492 PolarHBondContact O-N 3.1Å; S490-G492 VanDerWaalsContact O-N 3.1Å
491	G	58.2	Low	79.1	Confident	36 Å²	36	46.5 Å²	46.5	37%	0.371	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	16.4	-171.5	0	0	0	0	0	112.4	D487	D487-G491 PolarHBondContact O-N 3.29Å
492	G	68.5	Low	79	Confident	27 Å²	27	47.5 Å²	47.5	28%	0.278	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	164.2	-175.4	0	0	0	0	0	111.1	D487 S490	D487-G492 PolarHBondContact N-O 2.74Å; D487-G492 VanDerWaalsContact N-O 3.11Å; S490-G492 PolarHBondContact O-N 3.1Å; S490-G492 VanDerWaalsContact O-N 3.1Å
493	L	79.3	Confident	78.8	Confident	42 Å²	42	48.2 Å²	48.2	22%	0.22	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	135.9	175	-65	159	0	0	0	108.7	M415 P417 L456 V484 F486	M415-L493 HydrophobicContact CB-CD1 3.96Å; M415-L493 VanDerWaalsContact O-CD1 3.23Å; M415-L493 WeakPolarHBondContact O-CD1 3.4Å; P417-L493 HydrophobicContact CG-CD2 3.96Å; L456-L493 HydrophobicContact CD1-CB 3.63Å; L456-L493 WeakPolarHBondContact CD1-O 3.4Å; V484-L493 HydrophobicContact CG1-CB 4.08Å; V484-L493 HydrophobicContact CG1-CD2 3.78Å; V484-L493 HydrophobicContact CG1-CG 4.43Å; F486-L493 HydrophobicContact CD2-CD2 4.39Å
494	K	85.3	Confident	78.4	Confident	35 Å²	35	48.6 Å²	48.6	15%	0.152	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	137.5	170	-74.4	-169.2	174.7	163.7	0	109.9	E457 M459 V484 S485 D487	E457-K494 HydrophobicContact CB-CG 4.38Å; E457-K494 WeakPolarHBondContact O-CA 3.49Å; E457-K494 VanDerWaalsContact OE2-CE 3.26Å; E457-K494 WeakPolarHBondContact OE2-CE 3.44Å; M459-K494 HydrophobicContact CE-CB 4.4Å; M459-K494 HydrophobicContact CE-CD 4.03Å; M459-K494 HydrophobicContact SD-CD 4.33Å; V484-K494 WeakPolarHBondContact CA-O 3.38Å; S485-K494 PolarHBondContact N-O 3.05Å; S485-K494 PolarHBondContact O-N 2.96Å; S485-K494 VanDerWaalsContact O-O 3.09Å; D487-K494 HydrophobicContact CB-CB 4.36Å; D487-K494 HydrophobicContact CB-CD 3.66Å; D487-K494 HydrophobicContact CB-CG 3.78Å; D487-K494 WeakPolarHBondContact OD2-CE 3.04Å; D487-K494 IonicContact OD2-NZ 2.64Å; D487-K494 PolarHBondContact OD2-NZ 3.16Å
495	M	88.3	Confident	78.1	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	129.4	177.4	-173	173.5	-171.3	0	0	110.2	I424 A426 L456 E457 V458 M459 V480 G482 Q483 V484	I424-M495 HydrophobicContact CG2-CE 4.37Å; I424-M495 WeakPolarHBondContact O-CE 3.16Å; A426-M495 HydrophobicContact CB-CE 4.22Å; A426-M495 HydrophobicContact CB-SD 3.87Å; L456-M495 HydrophobicContact CD1-CB 4.46Å; L456-M495 HydrophobicContact CD2-CB 3.85Å; L456-M495 HydrophobicContact CD2-CG 4.45Å; L456-M495 HydrophobicContact CD2-SD 3.7Å; L456-M495 HydrophobicContact CG-CB 4.21Å; E457-M495 PolarHBondContact O-N 3.4Å; V458-M495 CarbonylContact C-O 3.58Å; V458-M495 VanDerWaalsContact CA-O 3.31Å; V458-M495 WeakPolarHBondContact CA-O 3.2Å; V458-M495 HydrophobicContact CG2-CB 3.97Å; V458-M495 HydrophobicContact CG2-CG 4.46Å; V458-M495 HydrophobicContact CG2-SD 4.22Å; M459-M495 PolarHBondContact N-O 3.15Å; V480-M495 HydrophobicContact CB-CE 4.36Å; V480-M495 HydrophobicContact CB-SD 4.46Å; V480-M495 HydrophobicContact CG1-CE 4.02Å; V480-M495 HydrophobicContact CG1-SD 4.16Å; V480-M495 WeakPolarHBondContact O-CE 3.32Å; G482-M495 VanDerWaalsContact CA-CE 3.47Å; Q483-M495 CarbonylContact O-C 3.49Å; Q483-M495 WeakPolarHBondContact O-CA 3.19Å; V484-M495 HydrophobicContact CG2-CB 4.14Å; V484-M495 HydrophobicContact CG2-CG 3.99Å; V484-M495 HydrophobicContact CG2-SD 4.34Å
496	T	90	Very high	78	Confident	35 Å²	35	49.8 Å²	49.8	22%	0.215	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	111.8	168.3	-61.8	0	0	0	0	108.5	F461 G482 Q483	F461-T496 HydrophobicContact CD2-CG2 3.74Å; F461-T496 HydrophobicContact CE2-CG2 3.55Å; G482-T496 CarbonylContact C-O 3.37Å; G482-T496 WeakPolarHBondContact CA-O 3.33Å; Q483-T496 PolarHBondContact N-O 2.73Å; Q483-T496 PolarHBondContact O-N 2.96Å
497	A	89.7	Confident	78.1	Confident	6 Å²	6	45.5 Å²	45.5	5%	0.05	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	133.2	-179.1	0	0	0	0	0	111.4	V458 M459 L460 V480 V500	V458-A497 HydrophobicContact CG1-CB 3.77Å; M459-A497 PolarHBondContact O-N 3.47Å; L460-A497 HydrophobicContact CG-CB 4.06Å; V480-A497 HydrophobicContact CG1-CB 3.53Å; A497-V500 HydrophobicContact CB-CG2 4.11Å
498	R	85.3	Confident	78.5	Confident	145 Å²	145	47.3 Å²	47.3	55%	0.547	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	-40.1	167.9	-70.7	-174	173.1	-168	-3.9	111.8	S481 Q483	S481-R498 PolarHBondContact O-N 2.95Å; Q483-R498 VanDerWaalsContact NE2-NH2 3.14Å
499	E	87.8	Confident	79.3	Confident	65 Å²	65	45.5 Å²	45.5	30%	0.304	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	135.7	179.5	-176.2	178.1	-155.2	0	0	108.2	V480 S481 M501 K509	V480-E499 WeakPolarHBondContact CA-O 3.3Å; S481-E499 PolarHBondContact N-O 3.35Å; S481-E499 PolarHBondContact O-N 3.5Å; S481-E499 VanDerWaalsContact O-N 3.13Å; E499-M501 HydrophobicContact CG-CG 4.29Å; E499-K509 IonicContact OE1-NZ 3.08Å; E499-K509 PolarHBondContact OE1-NZ 2.94Å; E499-K509 IonicContact OE2-NZ 3.58Å; E499-K509 PolarHBondContact OE2-NZ 2.91Å
500	V	89.7	Confident	80.5	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	134.1	174.4	-179.4	0	0	0	0	106.6	L460 Y468 L471 L478 V480 A497	L460-V500 HydrophobicContact CD2-CG2 3.94Å; Y468-V500 HydrophobicContact CD1-CB 4.12Å; Y468-V500 WeakPolarHBondContact CD1-O 3.3Å; Y468-V500 HydrophobicContact CD2-CB 4.25Å; Y468-V500 HydrophobicContact CD2-CG2 4.38Å; Y468-V500 WeakPolarHBondContact CE1-O 3.24Å; Y468-V500 HydrophobicContact CG-CB 3.93Å; Y468-V500 HydrophobicContact CG-CG2 4.4Å; L471-V500 HydrophobicContact CB-CG1 4.39Å; L471-V500 HydrophobicContact CD1-CB 4.5Å; L471-V500 HydrophobicContact CD1-CG1 4.04Å; L478-V500 HydrophobicContact CB-CG1 4.36Å; L478-V500 HydrophobicContact CD1-CG1 3.94Å; L478-V500 HydrophobicContact CD2-CG1 4.22Å; L478-V500 HydrophobicContact CG-CG1 4.42Å; V480-V500 HydrophobicContact CG1-CG2 4.31Å; V480-V500 HydrophobicContact CG2-CG1 4.29Å; V480-V500 HydrophobicContact CG2-CG2 4.21Å; A497-V500 HydrophobicContact CB-CG2 4.11Å
501	M	87.9	Confident	81.4	Confident	5 Å²	5	42.8 Å²	42.8	3%	0.025	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	146.6	175	-64.1	172.2	-67.7	0	0	108	L478 I479 E499 E505 K509 Y510	L478-M501 WeakPolarHBondContact CA-O 3.25Å; I479-M501 HydrophobicContact CG2-CE 4.17Å; I479-M501 PolarHBondContact N-O 2.86Å; I479-M501 PolarHBondContact O-N 3.42Å; E499-M501 HydrophobicContact CG-CG 4.29Å; M501-E505 WeakPolarHBondContact CA-OE2 3.4Å; M501-E505 HydrophobicContact CB-CB 4.1Å; M501-E505 HydrophobicContact CG-CB 4.49Å; M501-K509 HydrophobicContact CE-CD 4.4Å; M501-K509 HydrophobicContact SD-CD 3.45Å; M501-K509 WeakPolarHBondContact SD-CD 3.44Å; M501-Y510 HydrophobicContact CE-CE2 4.02Å
502	D	87	Confident	82	Confident	30 Å²	30	52.3 Å²	52.3	16%	0.16	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	179.3	163.6	66.4	25.5	0	0	0	110.7	L471 L478 D504 E505 A506	L471-D502 HydrophobicContact CD2-CB 4.43Å; L478-D502 HydrophobicContact CD2-CB 4.27Å; D502-D504 VanDerWaalsContact C-N 3.28Å; D502-D504 PolarHBondContact O-N 3.38Å; D502-D504 PolarHBondContact OD1-N 3.34Å; D502-E505 WeakPolarHBondContact OD1-CB 3.37Å; D502-E505 WeakPolarHBondContact OD1-CG 3.46Å; D502-E505 PolarHBondContact OD1-N 2.93Å; D502-A506 VanDerWaalsContact O-CB 3.27Å; D502-A506 WeakPolarHBondContact O-CB 3.2Å; D502-A506 PolarHBondContact O-N 3.2Å
503	I	82.9	Confident	82.3	Confident	15 Å²	15	52.3 Å²	52.3	8%	0.077	24%	0.244	C	C	.	.	H	α-helix	trans	-65.6	-33.3	-179.1	-161.4	65.7	0	0	0	112.2	Y399 Y406 I479 R507	Y399-I503 HydrophobicContact CD1-CD1 4.17Å; Y399-I503 HydrophobicContact CD1-CG1 3.94Å; Y399-I503 HydrophobicContact CE1-CG1 4.11Å; Y399-I503 HydrophobicContact CG-CD1 4.48Å; Y406-I503 HydrophobicContact CE2-CD1 4.44Å; I479-I503 HydrophobicContact CD1-CD1 4.13Å; I503-R507 WeakPolarHBondContact O-CB 3.01Å; I503-R507 VanDerWaalsContact O-CG 3.24Å; I503-R507 WeakPolarHBondContact O-CG 3.49Å; I503-R507 PolarHBondContact O-N 3.01Å
504	D	79.7	Confident	82.3	Confident	61 Å²	61	51.6 Å²	51.6	33%	0.326	24%	0.24	S	C	.	.	H	α-helix	trans	-73.3	-44.6	-177.9	-72.9	-21.7	0	0	0	110.4	D502 R507 E508	D502-D504 VanDerWaalsContact C-N 3.28Å; D502-D504 PolarHBondContact O-N 3.38Å; D502-D504 PolarHBondContact OD1-N 3.34Å; D504-R507 WeakPolarHBondContact O-CB 3.08Å; D504-R507 PolarHBondContact O-N 2.8Å; D504-R507 IonicContact OD1-NH1 3.03Å; D504-E508 PolarHBondContact O-N 3.41Å
505	E	82.1	Confident	82.1	Confident	84 Å²	84	53 Å²	53	39%	0.393	26%	0.258	S	S	.	.	H	α-helix	trans	-61.9	-42.1	172.1	-74.1	-174.3	169.3	0	0	111.7	M501 D502 R507 E508 K509	M501-E505 WeakPolarHBondContact CA-OE2 3.4Å; M501-E505 HydrophobicContact CB-CB 4.1Å; M501-E505 HydrophobicContact CG-CB 4.49Å; D502-E505 WeakPolarHBondContact OD1-CB 3.37Å; D502-E505 WeakPolarHBondContact OD1-CG 3.46Å; D502-E505 PolarHBondContact OD1-N 2.93Å; E505-R507 VanDerWaalsContact C-N 3.31Å; E505-R507 PolarHBondContact O-N 3.15Å; E505-E508 PolarHBondContact O-N 2.73Å; E505-K509 WeakPolarHBondContact O-CB 3.27Å; E505-K509 PolarHBondContact O-N 2.97Å
506	A	81.4	Confident	81.7	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.9	-40	176.3	0	0	0	0	0	111.6	Y406 I479 D502 K509 Y510	Y406-A506 HydrophobicContact CD2-CB 4.27Å; Y406-A506 HydrophobicContact CE2-CB 4.06Å; I479-A506 HydrophobicContact CD1-CB 3.29Å; D502-A506 VanDerWaalsContact O-CB 3.27Å; D502-A506 WeakPolarHBondContact O-CB 3.2Å; D502-A506 PolarHBondContact O-N 3.2Å; A506-K509 PolarHBondContact O-N 3.29Å; A506-Y510 HydrophobicContact CB-CD2 4.37Å; A506-Y510 WeakPolarHBondContact O-CB 3.44Å; A506-Y510 VanDerWaalsContact O-CD2 3.25Å; A506-Y510 WeakPolarHBondContact O-CD2 3.1Å; A506-Y510 PolarHBondContact O-N 3.28Å
507	R	79.7	Confident	81	Confident	6 Å²	6	55.1 Å²	55.1	2%	0.023	27%	0.274	C	S	.	.	H	α-helix	trans	-62.2	-47.8	172.9	-76.9	170.2	176.9	161.1	6.9	111.5	E402 I503 D504 E505 K509 A511 P568 D570 L573	E402-R507 VanDerWaalsContact CD-NE 3.32Å; E402-R507 WeakPolarHBondContact OE1-CG 3.49Å; E402-R507 IonicContact OE1-CZ 3.32Å; E402-R507 IonicContact OE1-NE 3.46Å; E402-R507 PolarHBondContact OE1-NE 3.28Å; E402-R507 IonicContact OE1-NH2 2.95Å; E402-R507 IonicContact OE2-CZ 2.78Å; E402-R507 IonicContact OE2-NE 3.87Å; E402-R507 PolarHBondContact OE2-NE 3.02Å; E402-R507 VanDerWaalsContact OE2-NE 3.1Å; E402-R507 IonicContact OE2-NH2 3.72Å; E402-R507 PolarHBondContact OE2-NH2 3.04Å; I503-R507 WeakPolarHBondContact O-CB 3.01Å; I503-R507 VanDerWaalsContact O-CG 3.24Å; I503-R507 WeakPolarHBondContact O-CG 3.49Å; I503-R507 PolarHBondContact O-N 3.01Å; D504-R507 WeakPolarHBondContact O-CB 3.08Å; D504-R507 PolarHBondContact O-N 2.8Å; D504-R507 IonicContact OD1-NH1 3.03Å; E505-R507 VanDerWaalsContact C-N 3.31Å; E505-R507 PolarHBondContact O-N 3.15Å; R507-K509 VanDerWaalsContact C-N 3.27Å; R507-K509 PolarHBondContact O-N 2.93Å; R507-A511 WeakPolarHBondContact O-CA 3.48Å; R507-A511 WeakPolarHBondContact O-CB 3.41Å; R507-A511 PolarHBondContact O-N 3.33Å; R507-P568 HydrophobicContact CB-CG 3.5Å; R507-P568 VanDerWaalsContact CD-O 3.27Å; R507-P568 WeakPolarHBondContact CD-O 3.44Å; R507-P568 HydrophobicContact CG-CG 4.24Å; R507-P568 PolarHBondContact NH1-O 2.9Å; R507-D570 IonicContact CZ-OD1 2.7Å; R507-D570 VanDerWaalsContact CZ-OD1 3.22Å; R507-D570 IonicContact NH1-OD1 3.39Å; R507-D570 PolarHBondContact NH1-OD1 3.04Å; R507-D570 IonicContact NH2-OD1 2.86Å; R507-D570 PolarHBondContact NH2-OD1 2.89Å; R507-L573 VanDerWaalsContact CZ-CD1 3.48Å
508	E	77.9	Confident	80.4	Confident	71 Å²	71	55 Å²	55	33%	0.332	27%	0.273	S	S	.	.	H	α-helix	trans	-60.1	-36.7	177.9	-72	-161	179.6	0	0	112.9	D504 E505 I543 S567	D504-E508 PolarHBondContact O-N 3.41Å; E505-E508 PolarHBondContact O-N 2.73Å; E508-I543 HydrophobicContact CG-CD1 4.35Å; E508-S567 PolarHBondContact OE1-OG 2.72Å
509	K	77.9	Confident	79.8	Confident	102 Å²	102	50.4 Å²	50.4	44%	0.443	26%	0.261	S	S	.	.	H	α-helix	trans	-77.1	-42.1	-179	-169.7	176.8	-178	-179.9	0	113.4	E499 M501 E505 A506 R507	E499-K509 IonicContact OE1-NZ 3.08Å; E499-K509 PolarHBondContact OE1-NZ 2.94Å; E499-K509 IonicContact OE2-NZ 3.58Å; E499-K509 PolarHBondContact OE2-NZ 2.91Å; M501-K509 HydrophobicContact CE-CD 4.4Å; M501-K509 HydrophobicContact SD-CD 3.45Å; M501-K509 WeakPolarHBondContact SD-CD 3.44Å; E505-K509 WeakPolarHBondContact O-CB 3.27Å; E505-K509 PolarHBondContact O-N 2.97Å; A506-K509 PolarHBondContact O-N 3.29Å; R507-K509 VanDerWaalsContact C-N 3.27Å; R507-K509 PolarHBondContact O-N 2.93Å
510	Y	76.3	Confident	78.8	Confident	93 Å²	93	50.9 Å²	50.9	37%	0.365	27%	0.266	S	S	.	.	H	α-helix	trans	-103.5	-21.9	-170.7	-65.8	-67.9	0	0	0	114.2	Y406 M501 A506	Y406-Y510 AromaticContact CD1-CD2 3.67Å; Y406-Y510 HydrophobicContact CD1-CD2 3.67Å; Y406-Y510 AromaticContact CD1-CG 3.75Å; Y406-Y510 HydrophobicContact CD1-CG 3.75Å; Y406-Y510 HydrophobicContact CE1-CD2 4.04Å; Y406-Y510 HydrophobicContact CE1-CG 4Å; Y406-Y510 HydrophobicContact CG-CD2 4.08Å; M501-Y510 HydrophobicContact CE-CE2 4.02Å; A506-Y510 HydrophobicContact CB-CD2 4.37Å; A506-Y510 WeakPolarHBondContact O-CB 3.44Å; A506-Y510 VanDerWaalsContact O-CD2 3.25Å; A506-Y510 WeakPolarHBondContact O-CD2 3.1Å; A506-Y510 PolarHBondContact O-N 3.28Å
511	A	73.9	Confident	77.6	Confident	39 Å²	39	57.6 Å²	57.6	32%	0.322	29%	0.291	S	S	.	.			trans	-78.4	130.2	-177.9	0	0	0	0	0	111.7	R507 I543	R507-A511 WeakPolarHBondContact O-CA 3.48Å; R507-A511 WeakPolarHBondContact O-CB 3.41Å; R507-A511 PolarHBondContact O-N 3.33Å; A511-I543 HydrophobicContact CB-CD1 3.92Å
512	R	71.3	Confident	76.4	Confident	237 Å²	237	58.9 Å²	58.9	89%	0.894	30%	0.297	S	S	*	.			trans	-82.1	-18.1	-180	-62.9	-179.8	-179.3	179.2	0.2	113.6
513	G	75.3	Confident	75.4	Confident	26 Å²	26	60.6 Å²	60.6	27%	0.268	31%	0.305	S	S	.	.			trans	166.8	150.1	-172.8	0	0	0	0	0	111.7	I543 P544	G513-I543 VanDerWaalsContact CA-CG2 3.48Å; G513-P544 CarbonylContact C-O 3.55Å; G513-P544 WeakPolarHBondContact CA-O 3.13Å
514	L	79.5	Confident	74.6	Confident	27 Å²	27	62.6 Å²	62.6	14%	0.141	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	116.6	170	178.5	65.7	0	0	0	108.6	I516 L535 P544 V545 H546 L572 L573 L576	L514-I516 HydrophobicContact CD2-CD1 4.23Å; L514-I516 HydrophobicContact CD2-CG1 4.35Å; L514-I516 HydrophobicContact CG-CG1 4.2Å; L514-L535 HydrophobicContact CD2-CD2 4.45Å; L514-P544 PolarHBondContact N-O 3.39Å; L514-V545 HydrophobicContact CB-CG2 4.38Å; L514-V545 HydrophobicContact CD2-CG2 4.23Å; L514-H546 PolarHBondContact O-N 3.25Å; L514-L572 HydrophobicContact CD2-CD2 4.46Å; L514-L573 HydrophobicContact CD1-CD2 4.01Å; L514-L576 HydrophobicContact CD2-CD1 3.96Å
515	A	80	Confident	74	Confident	65 Å²	65	63.3 Å²	63.3	54%	0.537	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	112.9	178.7	0	0	0	0	0	110.4	H546 Y548	A515-H546 CarbonylContact C-O 3.59Å; A515-H546 WeakPolarHBondContact CA-O 3.15Å; A515-Y548 HydrophobicContact CB-CD2 3.81Å; A515-Y548 HydrophobicContact CB-CE2 3.57Å
516	I	79.5	Confident	73.2	Confident	6 Å²	6	64 Å²	64	3%	0.031	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	115.5	175.2	-57.3	172	0	0	0	107.1	L514 L518 L531 V545 H546 L547 Y548 L576 I580	L514-I516 HydrophobicContact CD2-CD1 4.23Å; L514-I516 HydrophobicContact CD2-CG1 4.35Å; L514-I516 HydrophobicContact CG-CG1 4.2Å; I516-L518 HydrophobicContact CG2-CG 4.25Å; I516-L531 HydrophobicContact CD1-CD1 4.15Å; I516-V545 HydrophobicContact CD1-CG1 3.77Å; I516-V545 HydrophobicContact CG1-CG1 4.45Å; I516-H546 PolarHBondContact N-O 2.89Å; I516-L547 HydrophobicContact CB-CD1 4Å; I516-L547 HydrophobicContact CG2-CD1 3.87Å; I516-L547 CarbonylContact O-C 3.56Å; I516-L547 WeakPolarHBondContact O-CA 3.47Å; I516-Y548 PolarHBondContact O-N 3.22Å; I516-L576 HydrophobicContact CD1-CD1 4.48Å; I516-I580 HydrophobicContact CG2-CD1 4.49Å
517	S	77	Confident	72.7	Confident	73 Å²	73	65.1 Å²	65.1	51%	0.51	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	116.7	174.5	51.5	0	0	0	0	109.9	Y548	S517-Y548 WeakPolarHBondContact CA-O 3.34Å
518	L	76.6	Confident	72.3	Confident	4 Å²	4	68.3 Å²	68.3	2%	0.021	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	137.2	171.7	-70.3	-179.4	0	0	0	109.6	I516 Q522 I523 L527 L547 Y548 Q550	I516-L518 HydrophobicContact CG2-CG 4.25Å; L518-Q522 HydrophobicContact CD2-CB 4.29Å; L518-I523 HydrophobicContact CD1-CG1 4.47Å; L518-L527 HydrophobicContact CD1-CD2 4.33Å; L518-L527 HydrophobicContact CD2-CD2 3.73Å; L518-L547 HydrophobicContact CB-CD1 4.23Å; L518-L547 HydrophobicContact CD1-CD1 3.53Å; L518-L547 HydrophobicContact CD1-CD2 4.45Å; L518-L547 HydrophobicContact CG-CD1 3.71Å; L518-Y548 PolarHBondContact N-O 3.25Å; L518-Q550 PolarHBondContact O-N 3.45Å
519	T	71.7	Confident	72.1	Confident	48 Å²	48	69.2 Å²	69.2	29%	0.294	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	155.8	168.8	46.3	0	0	0	0	110.6	R521 Q522 Q550	T519-R521 PolarHBondContact O-N 3.44Å; T519-R521 VanDerWaalsContact O-N 3.11Å; T519-Q522 VanDerWaalsContact N-OE1 3.14Å; T519-Q522 PolarHBondContact O-N 3.14Å; T519-Q522 WeakPolarHBondContact OG1-CG 3.16Å; T519-Q522 PolarHBondContact OG1-OE1 3.47Å; T519-Q522 VanDerWaalsContact OG1-OE1 3.06Å; T519-Q550 WeakPolarHBondContact CA-O 3.04Å
520	D	68.1	Low	71.9	Confident	76 Å²	76	69.4 Å²	69.4	41%	0.406	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-48.3	-38.2	178.3	-164.3	8.2	0	0	0	112.4	Q522 I523 Y549 Q550 R551	D520-Q522 VanDerWaalsContact C-N 3.29Å; D520-Q522 PolarHBondContact O-N 3.39Å; D520-I523 PolarHBondContact O-N 3.1Å; D520-Y549 HydrophobicContact CB-CE2 4.46Å; D520-Y549 VanDerWaalsContact CG-OH 3.29Å; D520-Y549 PolarHBondContact OD1-OH 3.13Å; D520-Q550 PolarHBondContact N-O 3.37Å; D520-R551 HydrophobicContact CB-CG 4.33Å; D520-R551 IonicContact OD2-NE 3.16Å
521	R	64.2	Low	72	Confident	141 Å²	141	65.4 Å²	65.4	53%	0.532	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-67.7	-24.2	179.8	-60.3	-171.8	-176	-167.5	10.4	114.5	T519 E590	T519-R521 PolarHBondContact O-N 3.44Å; T519-R521 VanDerWaalsContact O-N 3.11Å; R521-E590 IonicContact CZ-OE1 3.1Å; R521-E590 IonicContact CZ-OE2 3Å; R521-E590 IonicContact NH1-OE1 2.89Å; R521-E590 PolarHBondContact NH1-OE1 3Å; R521-E590 IonicContact NH1-OE2 2.71Å; R521-E590 PolarHBondContact NH1-OE2 3.41Å; R521-E590 IonicContact NH2-OE1 2.86Å; R521-E590 PolarHBondContact NH2-OE1 3.17Å; R521-E590 VanDerWaalsContact NH2-OE1 3.08Å; R521-E590 IonicContact NH2-OE2 3.13Å; R521-E590 PolarHBondContact NH2-OE2 3.47Å
522	Q	63.2	Low	72.4	Confident	33 Å²	33	70.2 Å²	70.2	15%	0.154	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-89.4	-11.4	-175.2	-67.5	172.7	-31.4	0	0	112.8	L518 T519 D520 D524 L527	L518-Q522 HydrophobicContact CD2-CB 4.29Å; T519-Q522 VanDerWaalsContact N-OE1 3.14Å; T519-Q522 PolarHBondContact O-N 3.14Å; T519-Q522 WeakPolarHBondContact OG1-CG 3.16Å; T519-Q522 PolarHBondContact OG1-OE1 3.47Å; T519-Q522 VanDerWaalsContact OG1-OE1 3.06Å; D520-Q522 VanDerWaalsContact C-N 3.29Å; D520-Q522 PolarHBondContact O-N 3.39Å; Q522-D524 PolarHBondContact O-N 2.96Å; Q522-D524 VanDerWaalsContact O-N 3.16Å; Q522-L527 HydrophobicContact CB-CD2 4.25Å; Q522-L527 WeakPolarHBondContact O-CD2 3.32Å
523	I	64.9	Low	72.8	Confident	66 Å²	66	65 Å²	65	34%	0.338	33%	0.331	S	S	.	.			trans	-79.9	105.6	-176.9	-58.6	-163.2	0	0	0	110.4	L518 D520 L528 Y549	L518-I523 HydrophobicContact CD1-CG1 4.47Å; D520-I523 PolarHBondContact O-N 3.1Å; I523-L528 HydrophobicContact CG2-CD1 4.34Å; I523-Y549 HydrophobicContact CD1-CD2 3.38Å; I523-Y549 HydrophobicContact CD1-CE2 3.08Å; I523-Y549 HydrophobicContact CD1-CG 4.42Å; I523-Y549 HydrophobicContact CG1-CD2 4.34Å; I523-Y549 HydrophobicContact CG1-CE2 3.89Å
524	D	65.4	Low	73	Confident	56 Å²	56	64.8 Å²	64.8	30%	0.299	33%	0.326	S	S	.	.			trans	-126.6	154.3	163.6	-175.7	29.4	0	0	0	110.5	Q522 Q526 L527 L528	Q522-D524 PolarHBondContact O-N 2.96Å; Q522-D524 VanDerWaalsContact O-N 3.16Å; D524-Q526 PolarHBondContact O-N 2.94Å; D524-Q526 WeakPolarHBondContact OD2-CB 3.4Å; D524-L527 PolarHBondContact O-N 3.48Å; D524-L528 PolarHBondContact O-N 2.9Å
525	D	67.7	Low	73.1	Confident	76 Å²	76	63.5 Å²	63.5	41%	0.406	32%	0.319	S	S	.	.	H	α-helix	trans	-56.7	-31.7	175.7	-72.3	-38.6	0	0	0	110.6	N529 K701	D525-N529 WeakPolarHBondContact O-CB 3.38Å; D525-N529 PolarHBondContact O-N 3.18Å; D525-N529 PolarHBondContact O-ND2 2.84Å; D525-K701 IonicContact OD2-NZ 3.74Å; D525-K701 PolarHBondContact OD2-NZ 3.38Å
526	Q	66.1	Low	73.2	Confident	99 Å²	99	64.5 Å²	64.5	46%	0.463	31%	0.313	S	S	.	.	H	α-helix	trans	-69	-42.1	172.6	-70.8	-144.7	-7.7	0	0	113.4	D524 L528 N529 R530	D524-Q526 PolarHBondContact O-N 2.94Å; D524-Q526 WeakPolarHBondContact OD2-CB 3.4Å; Q526-L528 VanDerWaalsContact C-N 3.3Å; Q526-L528 PolarHBondContact O-N 2.94Å; Q526-N529 PolarHBondContact O-N 3.08Å; Q526-R530 WeakPolarHBondContact O-CB 3.47Å; Q526-R530 WeakPolarHBondContact O-CG 3.35Å; Q526-R530 PolarHBondContact O-N 2.93Å
527	L	69.5	Low	73.3	Confident	24 Å²	24	68.8 Å²	68.8	13%	0.126	34%	0.341	C	S	.	.	H	α-helix	trans	-64.2	-40.9	176.5	-174.8	69.8	0	0	0	109.9	L518 Q522 D524 N529 R530 L531 L579	L518-L527 HydrophobicContact CD1-CD2 4.33Å; L518-L527 HydrophobicContact CD2-CD2 3.73Å; Q522-L527 HydrophobicContact CB-CD2 4.25Å; Q522-L527 WeakPolarHBondContact O-CD2 3.32Å; D524-L527 PolarHBondContact O-N 3.48Å; L527-N529 PolarHBondContact O-N 3.44Å; L527-R530 PolarHBondContact O-N 3.28Å; L527-L531 WeakPolarHBondContact O-CB 3.3Å; L527-L531 PolarHBondContact O-N 3.43Å; L527-L579 HydrophobicContact CD1-CB 4.31Å; L527-L579 HydrophobicContact CD1-CD2 4.23Å
528	L	71.5	Confident	73.3	Confident	72 Å²	72	66.8 Å²	66.8	38%	0.377	32%	0.323	S	S	.	.	H	α-helix	trans	-63.5	-39.4	175.7	-73.1	169.8	0	0	0	112.4	I523 D524 Q526 R532	I523-L528 HydrophobicContact CG2-CD1 4.34Å; D524-L528 PolarHBondContact O-N 2.9Å; Q526-L528 VanDerWaalsContact C-N 3.3Å; Q526-L528 PolarHBondContact O-N 2.94Å; L528-R532 VanDerWaalsContact O-CB 3.28Å; L528-R532 WeakPolarHBondContact O-CB 3.42Å; L528-R532 PolarHBondContact O-N 3.39Å
529	N	75.4	Confident	73.3	Confident	90 Å²	90	72 Å²	72	48%	0.481	34%	0.343	S	S	.	.	H	α-helix	trans	-68.7	-42	174.7	-84.1	-25.5	0	0	0	112.7	D525 Q526 L527 R532 Q533	D525-N529 WeakPolarHBondContact O-CB 3.38Å; D525-N529 PolarHBondContact O-N 3.18Å; D525-N529 PolarHBondContact O-ND2 2.84Å; Q526-N529 PolarHBondContact O-N 3.08Å; L527-N529 PolarHBondContact O-N 3.44Å; N529-R532 WeakPolarHBondContact O-CB 3.4Å; N529-R532 PolarHBondContact O-N 3.24Å; N529-Q533 WeakPolarHBondContact O-CB 3.41Å; N529-Q533 VanDerWaalsContact O-CG 3.29Å; N529-Q533 WeakPolarHBondContact O-CG 3.4Å; N529-Q533 PolarHBondContact O-N 3.3Å
530	R	72.8	Confident	73.2	Confident	106 Å²	106	74.8 Å²	74.8	40%	0.4	37%	0.365	S	S	.	.	H	α-helix	trans	-67.4	-41.8	175	-70.8	-177.2	-141.4	168.8	7.6	111.6	Q526 L527 R532 Q533 S534 L579	Q526-R530 WeakPolarHBondContact O-CB 3.47Å; Q526-R530 WeakPolarHBondContact O-CG 3.35Å; Q526-R530 PolarHBondContact O-N 2.93Å; L527-R530 PolarHBondContact O-N 3.28Å; R530-R532 VanDerWaalsContact C-N 3.28Å; R530-R532 PolarHBondContact O-N 3.38Å; R530-Q533 CarbonylContact O-C 3.51Å; R530-Q533 PolarHBondContact O-N 2.86Å; R530-Q533 VanDerWaalsContact O-N 3.13Å; R530-S534 WeakPolarHBondContact O-CB 3.36Å; R530-S534 PolarHBondContact O-N 2.88Å; R530-S534 PolarHBondContact O-OG 2.76Å; R530-L579 HydrophobicContact CB-CD2 3.51Å; R530-L579 HydrophobicContact CG-CD2 4.19Å
531	L	78.3	Confident	73.3	Confident	9 Å²	9	71.7 Å²	71.7	5%	0.047	35%	0.35	C	S	.	.	H	α-helix	trans	-58.3	-44.1	173.3	-171.3	77.1	0	0	0	110.4	I516 L527 S534 L535 L576	I516-L531 HydrophobicContact CD1-CD1 4.15Å; L527-L531 WeakPolarHBondContact O-CB 3.3Å; L527-L531 PolarHBondContact O-N 3.43Å; L531-S534 PolarHBondContact O-N 3.2Å; L531-L535 HydrophobicContact CD1-CD1 4.37Å; L531-L535 HydrophobicContact CD2-CD1 4.32Å; L531-L535 HydrophobicContact CG-CD1 3.84Å; L531-L535 HydrophobicContact CG-CG 4.48Å; L531-L535 WeakPolarHBondContact O-CB 3.44Å; L531-L535 WeakPolarHBondContact O-CG 3.3Å; L531-L535 PolarHBondContact O-N 2.8Å; L531-L576 HydrophobicContact CD1-CD2 3.37Å
532	R	81.2	Confident	73.8	Confident	140 Å²	140	68.3 Å²	68.3	53%	0.528	35%	0.345	S	S	.	.	H	α-helix	trans	-59.3	-51	172.2	172.8	179.2	-83.5	-176.7	-4	111.1	L528 N529 R530 S534 L535 E536 W564	L528-R532 VanDerWaalsContact O-CB 3.28Å; L528-R532 WeakPolarHBondContact O-CB 3.42Å; L528-R532 PolarHBondContact O-N 3.39Å; N529-R532 WeakPolarHBondContact O-CB 3.4Å; N529-R532 PolarHBondContact O-N 3.24Å; R530-R532 VanDerWaalsContact C-N 3.28Å; R530-R532 PolarHBondContact O-N 3.38Å; R532-S534 VanDerWaalsContact C-N 3.3Å; R532-S534 PolarHBondContact O-N 2.85Å; R532-L535 PolarHBondContact O-N 3.06Å; R532-E536 WeakPolarHBondContact O-CB 3.43Å; R532-E536 PolarHBondContact O-N 2.74Å; R532-W564 HydrophobicContact CG-CH2 3.98Å
533	Q	80.8	Confident	74.6	Confident	128 Å²	128	67 Å²	67	60%	0.598	34%	0.339	S	S	*	.	H	α-helix	trans	-61.6	-34.6	-179.5	-74.8	171.1	-6.7	0	0	113	N529 R530 P537	N529-Q533 WeakPolarHBondContact O-CB 3.41Å; N529-Q533 VanDerWaalsContact O-CG 3.29Å; N529-Q533 WeakPolarHBondContact O-CG 3.4Å; N529-Q533 PolarHBondContact O-N 3.3Å; R530-Q533 CarbonylContact O-C 3.51Å; R530-Q533 PolarHBondContact O-N 2.86Å; R530-Q533 VanDerWaalsContact O-N 3.13Å; Q533-P537 WeakPolarHBondContact O-CD 3.31Å
534	S	79.5	Confident	75.5	Confident	21 Å²	21	65.4 Å²	65.4	15%	0.147	33%	0.333	C	S	.	.	H	α-helix	trans	-75.6	-36.3	174.8	-63.3	0	0	0	0	112.3	R530 L531 R532 H538 L572 L579	R530-S534 WeakPolarHBondContact O-CB 3.36Å; R530-S534 PolarHBondContact O-N 2.88Å; R530-S534 PolarHBondContact O-OG 2.76Å; L531-S534 PolarHBondContact O-N 3.2Å; R532-S534 VanDerWaalsContact C-N 3.3Å; R532-S534 PolarHBondContact O-N 2.85Å; S534-H538 PolarHBondContact O-CD2 3.14Å; S534-L572 VanDerWaalsContact O-CD1 3.32Å; S534-L572 WeakPolarHBondContact O-CD1 3.48Å; S534-L579 WeakPolarHBondContact OG-CD1 3.43Å
535	L	81	Confident	76.3	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-79.2	-27.6	178.8	-67.8	170.8	0	0	0	112.9	L514 L531 R532 H538 W564 V566 L572	L514-L535 HydrophobicContact CD2-CD2 4.45Å; L531-L535 HydrophobicContact CD1-CD1 4.37Å; L531-L535 HydrophobicContact CD2-CD1 4.32Å; L531-L535 HydrophobicContact CG-CD1 3.84Å; L531-L535 HydrophobicContact CG-CG 4.48Å; L531-L535 WeakPolarHBondContact O-CB 3.44Å; L531-L535 WeakPolarHBondContact O-CG 3.3Å; L531-L535 PolarHBondContact O-N 2.8Å; R532-L535 PolarHBondContact O-N 3.06Å; L535-H538 PolarHBondContact O-N 2.97Å; L535-H538 VanDerWaalsContact O-N 3.15Å; L535-W564 HydrophobicContact CB-CE3 4.13Å; L535-W564 HydrophobicContact CB-CZ3 3.8Å; L535-V566 HydrophobicContact CD2-CG1 4.36Å; L535-V566 HydrophobicContact CD2-CG2 4.2Å; L535-L572 HydrophobicContact CD2-CD1 3.9Å; L535-L572 HydrophobicContact CD2-CD2 4.26Å
536	E	82	Confident	77	Confident	85 Å²	85	59.9 Å²	59.9	40%	0.397	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-60.3	-43.9	-172	-171.6	164.3	-161.7	0	0	114.6	R532 H538 R539	R532-E536 WeakPolarHBondContact O-CB 3.43Å; R532-E536 PolarHBondContact O-N 2.74Å; E536-H538 PolarHBondContact O-N 3.31Å; E536-R539 WeakPolarHBondContact O-CG 3.12Å; E536-R539 PolarHBondContact O-NE 3.11Å; E536-R539 VanDerWaalsContact O-NE 3.08Å; E536-R539 IonicContact OE1-CZ 3.48Å; E536-R539 IonicContact OE1-NH1 3.79Å; E536-R539 IonicContact OE1-NH2 2.74Å; E536-R539 PolarHBondContact OE1-NH2 3.04Å
537	P	81.7	Confident	77.8	Confident	97 Å²	97	55.7 Å²	55.7	63%	0.63	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-66.9	-19.7	176.6	-21.9	34.3	0	0	0	113.8	Q533	Q533-P537 WeakPolarHBondContact O-CD 3.31Å
538	H	78.3	Confident	78.4	Confident	30 Å²	30	57.3 Å²	57.3	14%	0.139	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-106.1	12.6	-171.7	-63.6	-82.2	0	0	0	113.5	S534 L535 E536 S540 V566 S567 S569 L572	S534-H538 PolarHBondContact O-CD2 3.14Å; L535-H538 PolarHBondContact O-N 2.97Å; L535-H538 VanDerWaalsContact O-N 3.15Å; E536-H538 PolarHBondContact O-N 3.31Å; H538-S540 PolarHBondContact O-N 3.49Å; H538-V566 HydrophobicContact CB-CG1 3.56Å; H538-V566 VanDerWaalsContact O-CA 3.26Å; H538-V566 WeakPolarHBondContact O-CA 3.37Å; H538-V566 WeakPolarHBondContact O-CG1 3.44Å; H538-S567 PolarHBondContact O-N 2.83Å; H538-S567 VanDerWaalsContact O-N 3.09Å; H538-S569 PolarHBondContact CE1-OG 2.98Å; H538-S569 PolarHBondContact ND1-OG 3.06Å; H538-L572 HydrophobicContact CB-CD2 4.33Å
539	R	75.5	Confident	78.8	Confident	113 Å²	113	56.3 Å²	56.3	43%	0.426	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-0.4	-175.4	-74.1	-174.1	-67.7	-174.7	-3.4	116.4	E536 G541 W564 R565	E536-R539 WeakPolarHBondContact O-CG 3.12Å; E536-R539 PolarHBondContact O-NE 3.11Å; E536-R539 VanDerWaalsContact O-NE 3.08Å; E536-R539 IonicContact OE1-CZ 3.48Å; E536-R539 IonicContact OE1-NH1 3.79Å; E536-R539 IonicContact OE1-NH2 2.74Å; E536-R539 PolarHBondContact OE1-NH2 3.04Å; R539-G541 VanDerWaalsContact C-N 3.33Å; R539-W564 HydrophobicContact CG-CE3 4.21Å; R539-W564 HydrophobicContact CG-CZ3 4.18Å; R539-R565 CarbonylContact C-O 3.54Å; R539-R565 VanDerWaalsContact CA-O 3.26Å; R539-R565 WeakPolarHBondContact CA-O 3.17Å
540	S	69.7	Low	78.9	Confident	108 Å²	108	56.7 Å²	56.7	76%	0.755	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	3.3	-176.5	52.4	0	0	0	0	114.6	H538	H538-S540 PolarHBondContact O-N 3.49Å
541	G	70.3	Confident	78.9	Confident	10 Å²	10	57.6 Å²	57.6	10%	0.103	28%	0.283	C	S	.	.	S	Bend	trans	-89.3	-178.4	-172.5	0	0	0	0	0	115.8	R539 R565 S567	R539-G541 VanDerWaalsContact C-N 3.33Å; G541-R565 WeakPolarHBondContact O-CB 3.42Å; G541-S567 WeakPolarHBondContact CA-OG 3.14Å; G541-S567 PolarHBondContact N-OG 2.82Å
542	T	75.9	Confident	78.6	Confident	70 Å²	70	62.5 Å²	62.5	43%	0.429	32%	0.324	S	S	.	.	S	Bend	trans	-98.8	-16	-177.1	53.4	0	0	0	0	113.5	R565	T542-R565 PolarHBondContact O-NH1 3.28Å
543	I	78.8	Confident	78.4	Confident	6 Å²	6	61.2 Å²	61.2	3%	0.031	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	129.8	-165.8	-66.3	165.8	0	0	0	112	E508 A511 G513 R565 V566 P568	E508-I543 HydrophobicContact CG-CD1 4.35Å; A511-I543 HydrophobicContact CB-CD1 3.92Å; G513-I543 VanDerWaalsContact CA-CG2 3.48Å; I543-R565 CarbonylContact O-C 3.52Å; I543-R565 WeakPolarHBondContact O-CA 3.35Å; I543-V566 PolarHBondContact O-N 2.53Å; I543-P568 HydrophobicContact CD1-CB 4.49Å; I543-P568 HydrophobicContact CD1-CG 3.48Å; I543-P568 VanDerWaalsContact CD1-CG 3.48Å
544	P	83.1	Confident	78.2	Confident	32 Å²	32	58 Å²	58	21%	0.208	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	137.4	176.1	30.8	-34.5	0	0	0	111.9	G513 L514	G513-P544 CarbonylContact C-O 3.55Å; G513-P544 WeakPolarHBondContact CA-O 3.13Å; L514-P544 PolarHBondContact N-O 3.39Å
545	V	82.3	Confident	78.1	Confident	1 Å²	1	64.7 Å²	64.7	1%	0.006	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	132.7	172.8	-176.6	0	0	0	0	110.4	L514 I516 F560 V566	L514-V545 HydrophobicContact CB-CG2 4.38Å; L514-V545 HydrophobicContact CD2-CG2 4.23Å; I516-V545 HydrophobicContact CD1-CG1 3.77Å; I516-V545 HydrophobicContact CG1-CG1 4.45Å; V545-F560 HydrophobicContact CB-CB 4.25Å; V545-F560 HydrophobicContact CB-CG 4.34Å; V545-F560 HydrophobicContact CG1-CD2 4.42Å; V545-F560 HydrophobicContact CG1-CG 4.4Å; V545-F560 PolarHBondContact O-N 3.38Å; V545-V566 HydrophobicContact CG2-CB 4.13Å; V545-V566 HydrophobicContact CG2-CG2 3.54Å
546	H	83.4	Confident	78.1	Confident	16 Å²	16	66.6 Å²	66.6	7%	0.074	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	117.2	176.9	-64.6	-15.7	0	0	0	108.8	L514 A515 I516 Y548 R559	L514-H546 PolarHBondContact O-N 3.25Å; A515-H546 CarbonylContact C-O 3.59Å; A515-H546 WeakPolarHBondContact CA-O 3.15Å; I516-H546 PolarHBondContact N-O 2.89Å; H546-Y548 HydrophobicContact CB-CD2 4.37Å; H546-Y548 HydrophobicContact CB-CE2 3.83Å; H546-R559 PolarHBondContact CE1-NE 2.7Å
547	L	82.7	Confident	78.2	Confident	11 Å²	11	70.1 Å²	70.1	6%	0.058	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	114.4	172.1	-178.2	72	0	0	0	108.8	I516 L518 L558 F560	I516-L547 HydrophobicContact CB-CD1 4Å; I516-L547 HydrophobicContact CG2-CD1 3.87Å; I516-L547 CarbonylContact O-C 3.56Å; I516-L547 WeakPolarHBondContact O-CA 3.47Å; L518-L547 HydrophobicContact CB-CD1 4.23Å; L518-L547 HydrophobicContact CD1-CD1 3.53Å; L518-L547 HydrophobicContact CD1-CD2 4.45Å; L518-L547 HydrophobicContact CG-CD1 3.71Å; L547-L558 HydrophobicContact CB-CB 4.27Å; L547-L558 HydrophobicContact CD2-CD1 4.31Å; L547-L558 PolarHBondContact N-O 2.85Å; L547-L558 PolarHBondContact O-N 3.04Å; L547-F560 HydrophobicContact CB-CD2 4.28Å; L547-F560 HydrophobicContact CB-CE2 3.59Å; L547-F560 HydrophobicContact CD2-CE2 4.12Å; L547-F560 HydrophobicContact CG-CE2 4.43Å
548	Y	81.5	Confident	78.2	Confident	58 Å²	58	70 Å²	70	23%	0.227	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	99.4	170.8	-71.6	-92.5	0	0	0	107.7	A515 I516 S517 L518 H546 R557	A515-Y548 HydrophobicContact CB-CD2 3.81Å; A515-Y548 HydrophobicContact CB-CE2 3.57Å; I516-Y548 PolarHBondContact O-N 3.22Å; S517-Y548 WeakPolarHBondContact CA-O 3.34Å; L518-Y548 PolarHBondContact N-O 3.25Å; H546-Y548 HydrophobicContact CB-CD2 4.37Å; H546-Y548 HydrophobicContact CB-CE2 3.83Å; Y548-R557 HydrophobicContact CD1-CB 4.36Å; Y548-R557 HydrophobicContact CD1-CG 4.31Å; Y548-R557 HydrophobicContact CE1-CB 4.23Å; Y548-R557 HydrophobicContact CE1-CG 3.91Å
549	Y	79.7	Confident	78.4	Confident	50 Å²	50	76.4 Å²	76.4	20%	0.196	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	116.2	174.8	179.6	-119.8	0	0	0	109.3	D520 I523 R551 R555 A556	D520-Y549 HydrophobicContact CB-CE2 4.46Å; D520-Y549 VanDerWaalsContact CG-OH 3.29Å; D520-Y549 PolarHBondContact OD1-OH 3.13Å; I523-Y549 HydrophobicContact CD1-CD2 3.38Å; I523-Y549 HydrophobicContact CD1-CE2 3.08Å; I523-Y549 HydrophobicContact CD1-CG 4.42Å; I523-Y549 HydrophobicContact CG1-CD2 4.34Å; I523-Y549 HydrophobicContact CG1-CE2 3.89Å; Y549-R551 HydrophobicContact CE1-CB 4.13Å; Y549-R555 CarbonylContact O-C 3.41Å; Y549-R555 WeakPolarHBondContact O-CA 3.22Å; Y549-A556 HydrophobicContact CD1-CB 4.47Å; Y549-A556 PolarHBondContact N-O 3.3Å; Y549-A556 PolarHBondContact O-N 3.08Å
550	Q	77.7	Confident	78.7	Confident	98 Å²	98	73.8 Å²	73.8	46%	0.458	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	114.7	178.2	-175.7	168.6	-19.6	0	0	109.7	L518 T519 D520	L518-Q550 PolarHBondContact O-N 3.45Å; T519-Q550 WeakPolarHBondContact CA-O 3.04Å; D520-Q550 PolarHBondContact N-O 3.37Å
551	R	74.2	Confident	78.9	Confident	126 Å²	126	70.7 Å²	70.7	48%	0.475	36%	0.364	S	S	.	.			trans	-108	164.8	168.5	-164.9	176	-174.2	-151	3	108.5	D520 Y549 D553 A554	D520-R551 HydrophobicContact CB-CG 4.33Å; D520-R551 IonicContact OD2-NE 3.16Å; Y549-R551 HydrophobicContact CE1-CB 4.13Å; R551-D553 WeakPolarHBondContact CB-OD1 3.42Å; R551-D553 WeakPolarHBondContact CD-OD1 3.35Å; R551-D553 WeakPolarHBondContact CG-OD1 3.33Å; R551-D553 IonicContact NH1-OD2 3.07Å; R551-D553 PolarHBondContact NH1-OD2 3.37Å; R551-D553 PolarHBondContact O-N 3.33Å; R551-A554 PolarHBondContact N-O 2.98Å
552	A	71.4	Confident	79.1	Confident	111 Å²	111	74.3 Å²	74.3	92%	0.917	39%	0.393	S	S	*	.	S	Bend	trans	-60	-26	-178	0	0	0	0	0	113.7
553	D	77.6	Confident	79.1	Confident	113 Å²	113	76.1 Å²	76.1	60%	0.604	40%	0.404	S	S	*	.	S	Bend	trans	-98.7	-32.5	-175.5	54.3	-8.3	0	0	0	113.9	R551	R551-D553 WeakPolarHBondContact CB-OD1 3.42Å; R551-D553 WeakPolarHBondContact CD-OD1 3.35Å; R551-D553 WeakPolarHBondContact CG-OD1 3.33Å; R551-D553 IonicContact NH1-OD2 3.07Å; R551-D553 PolarHBondContact NH1-OD2 3.37Å; R551-D553 PolarHBondContact O-N 3.33Å
554	A	75.5	Confident	79	Confident	60 Å²	60	77.9 Å²	77.9	50%	0.496	41%	0.411	S	S	.	.			trans	-153.8	155.4	-174.1	0	0	0	0	0	113.2	R551	R551-A554 PolarHBondContact N-O 2.98Å
555	R	78.1	Confident	78.9	Confident	162 Å²	162	82 Å²	82	61%	0.611	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.2	112.8	170.1	-167.9	175.4	-176.6	-179.3	0.7	109.5	Y549	Y549-R555 CarbonylContact O-C 3.41Å; Y549-R555 WeakPolarHBondContact O-CA 3.22Å
556	A	81.1	Confident	78.7	Confident	41 Å²	41	82.1 Å²	82.1	34%	0.339	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	133.2	175.1	0	0	0	0	0	110.3	Y549	Y549-A556 HydrophobicContact CD1-CB 4.47Å; Y549-A556 PolarHBondContact N-O 3.3Å; Y549-A556 PolarHBondContact O-N 3.08Å
557	R	83.9	Confident	78.4	Confident	159 Å²	159	82.6 Å²	82.6	60%	0.6	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.2	104.9	171	-175.8	-176.5	69.4	-178.1	-1.6	109.1	Y548	Y548-R557 HydrophobicContact CD1-CB 4.36Å; Y548-R557 HydrophobicContact CD1-CG 4.31Å; Y548-R557 HydrophobicContact CE1-CB 4.23Å; Y548-R557 HydrophobicContact CE1-CG 3.91Å
558	L	81.7	Confident	78	Confident	95 Å²	95	82.7 Å²	82.7	50%	0.497	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	115.8	175.2	-65.3	172.8	0	0	0	109.5	L547	L547-L558 HydrophobicContact CB-CB 4.27Å; L547-L558 HydrophobicContact CD2-CD1 4.31Å; L547-L558 PolarHBondContact N-O 2.85Å; L547-L558 PolarHBondContact O-N 3.04Å
559	R	83.2	Confident	77.8	Confident	165 Å²	165	80.8 Å²	80.8	62%	0.623	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	125.2	172.3	177.7	177.4	-73.3	-172.2	-9.6	108.4	H546	H546-R559 PolarHBondContact CE1-NE 2.7Å
560	F	80	Confident	77.4	Confident	57 Å²	57	80 Å²	80	25%	0.25	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-69.5	156.1	175.8	-80.8	-131.7	0	0	0	110.5	V545 L547 W564	V545-F560 HydrophobicContact CB-CB 4.25Å; V545-F560 HydrophobicContact CB-CG 4.34Å; V545-F560 HydrophobicContact CG1-CD2 4.42Å; V545-F560 HydrophobicContact CG1-CG 4.4Å; V545-F560 PolarHBondContact O-N 3.38Å; L547-F560 HydrophobicContact CB-CD2 4.28Å; L547-F560 HydrophobicContact CB-CE2 3.59Å; L547-F560 HydrophobicContact CD2-CE2 4.12Å; L547-F560 HydrophobicContact CG-CE2 4.43Å; F560-W564 HydrophobicContact CB-CB 3.75Å; F560-W564 HydrophobicContact CB-CG 4.25Å; F560-W564 HydrophobicContact CD1-CB 4.03Å; F560-W564 HydrophobicContact CD1-CD2 4.21Å; F560-W564 AromaticContact CD1-CG 3.85Å; F560-W564 HydrophobicContact CD1-CG 3.85Å; F560-W564 HydrophobicContact CG-CB 4.4Å
561	G	75.8	Confident	77.3	Confident	43 Å²	43	84 Å²	84	44%	0.443	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-62.5	164.9	-179.5	0	0	0	0	0	113.4	T563 W564	G561-T563 PolarHBondContact O-N 2.85Å; G561-W564 PolarHBondContact O-N 3.02Å
562	A	72.8	Confident	77.5	Confident	86 Å²	86	78 Å²	78	71%	0.711	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-19.9	-177.5	0	0	0	0	0	114.4	W564	A562-W564 PolarHBondContact O-N 2.99Å
563	T	76.8	Confident	77.7	Confident	109 Å²	109	74.2 Å²	74.2	67%	0.669	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-13.3	173.9	45.4	0	0	0	0	114.1	G561	G561-T563 PolarHBondContact O-N 2.85Å
564	W	77	Confident	77.4	Confident	42 Å²	42	71.6 Å²	71.6	16%	0.159	36%	0.362	C	S	.	.			trans	-109.6	51	179.8	-67.6	98.3	0	0	0	110.7	R532 L535 R539 F560 G561 A562	R532-W564 HydrophobicContact CG-CH2 3.98Å; L535-W564 HydrophobicContact CB-CE3 4.13Å; L535-W564 HydrophobicContact CB-CZ3 3.8Å; R539-W564 HydrophobicContact CG-CE3 4.21Å; R539-W564 HydrophobicContact CG-CZ3 4.18Å; F560-W564 HydrophobicContact CB-CB 3.75Å; F560-W564 HydrophobicContact CB-CG 4.25Å; F560-W564 HydrophobicContact CD1-CB 4.03Å; F560-W564 HydrophobicContact CD1-CD2 4.21Å; F560-W564 AromaticContact CD1-CG 3.85Å; F560-W564 HydrophobicContact CD1-CG 3.85Å; F560-W564 HydrophobicContact CG-CB 4.4Å; G561-W564 PolarHBondContact O-N 3.02Å; A562-W564 PolarHBondContact O-N 2.99Å
565	R	79.8	Confident	77.3	Confident	119 Å²	119	72 Å²	72	45%	0.449	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	136.4	163.8	-66.4	-178.5	179.5	-118.2	7.4	108.6	R539 G541 T542 I543	R539-R565 CarbonylContact C-O 3.54Å; R539-R565 VanDerWaalsContact CA-O 3.26Å; R539-R565 WeakPolarHBondContact CA-O 3.17Å; G541-R565 WeakPolarHBondContact O-CB 3.42Å; T542-R565 PolarHBondContact O-NH1 3.28Å; I543-R565 CarbonylContact O-C 3.52Å; I543-R565 WeakPolarHBondContact O-CA 3.35Å
566	V	79.7	Confident	77.1	Confident	4 Å²	4	64.8 Å²	64.8	2%	0.024	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	141.2	-165.3	-173.6	0	0	0	0	110.1	L535 H538 I543 V545 L572	L535-V566 HydrophobicContact CD2-CG1 4.36Å; L535-V566 HydrophobicContact CD2-CG2 4.2Å; H538-V566 HydrophobicContact CB-CG1 3.56Å; H538-V566 VanDerWaalsContact O-CA 3.26Å; H538-V566 WeakPolarHBondContact O-CA 3.37Å; H538-V566 WeakPolarHBondContact O-CG1 3.44Å; I543-V566 PolarHBondContact O-N 2.53Å; V545-V566 HydrophobicContact CG2-CB 4.13Å; V545-V566 HydrophobicContact CG2-CG2 3.54Å; V566-L572 HydrophobicContact CG1-CD2 3.24Å
567	S	77.2	Confident	76.5	Confident	25 Å²	25	70 Å²	70	18%	0.175	34%	0.34	C	S	.	.			trans	-86	117	169.4	-69.1	0	0	0	0	107.9	E508 H538 G541 S569	E508-S567 PolarHBondContact OE1-OG 2.72Å; H538-S567 PolarHBondContact O-N 2.83Å; H538-S567 VanDerWaalsContact O-N 3.09Å; G541-S567 WeakPolarHBondContact CA-OG 3.14Å; G541-S567 PolarHBondContact N-OG 2.82Å; S567-S569 PolarHBondContact O-N 3.09Å
568	P	74.1	Confident	75.5	Confident	13 Å²	13	64.6 Å²	64.6	8%	0.084	33%	0.334	C	S	.	.			trans	-77.9	62.9	-173.9	35.9	-40	0	0	0	111.3	R507 I543	R507-P568 HydrophobicContact CB-CG 3.5Å; R507-P568 VanDerWaalsContact CD-O 3.27Å; R507-P568 WeakPolarHBondContact CD-O 3.44Å; R507-P568 HydrophobicContact CG-CG 4.24Å; R507-P568 PolarHBondContact NH1-O 2.9Å; I543-P568 HydrophobicContact CD1-CB 4.49Å; I543-P568 HydrophobicContact CD1-CG 3.48Å; I543-P568 VanDerWaalsContact CD1-CG 3.48Å
569	S	76.3	Confident	74.7	Confident	19 Å²	19	61.5 Å²	61.5	13%	0.133	32%	0.318	C	S	.	.			trans	-63.8	152.3	172.4	66.9	0	0	0	0	111	H538 S567 R571 L572 L573	H538-S569 PolarHBondContact CE1-OG 2.98Å; H538-S569 PolarHBondContact ND1-OG 3.06Å; S567-S569 PolarHBondContact O-N 3.09Å; S569-R571 PolarHBondContact O-N 3.14Å; S569-L572 WeakPolarHBondContact O-CB 3.41Å; S569-L572 PolarHBondContact O-N 3.19Å; S569-L572 VanDerWaalsContact O-N 3.1Å; S569-L572 PolarHBondContact OG-N 3.28Å; S569-L573 PolarHBondContact O-N 3.31Å; S569-L573 VanDerWaalsContact O-N 3.14Å
570	D	72	Confident	73.6	Confident	34 Å²	34	55.6 Å²	55.6	18%	0.182	30%	0.298	C	S	.	.	H	α-helix	trans	-58.7	-34.2	176.3	-78.8	-27.5	0	0	0	113.2	Y399 R507 L572 L573 N574	Y399-D570 WeakPolarHBondContact CE1-OD1 3.39Å; Y399-D570 WeakPolarHBondContact CE1-OD2 3.26Å; Y399-D570 PolarHBondContact OH-OD2 3.48Å; R507-D570 IonicContact CZ-OD1 2.7Å; R507-D570 VanDerWaalsContact CZ-OD1 3.22Å; R507-D570 IonicContact NH1-OD1 3.39Å; R507-D570 PolarHBondContact NH1-OD1 3.04Å; R507-D570 IonicContact NH2-OD1 2.86Å; R507-D570 PolarHBondContact NH2-OD1 2.89Å; D570-L572 VanDerWaalsContact C-N 3.35Å; D570-L572 PolarHBondContact O-N 3Å; D570-L573 PolarHBondContact O-N 3.46Å; D570-N574 WeakPolarHBondContact O-CB 3.49Å; D570-N574 PolarHBondContact O-N 2.91Å; D570-N574 PolarHBondContact O-ND2 3.16Å
571	R	75.2	Confident	72.1	Confident	181 Å²	181	54.6 Å²	54.6	68%	0.683	30%	0.303	S	S	*	.	H	α-helix	trans	-55.5	-51.1	174.2	-177.2	177	-179.7	166.1	1.7	111.2	S569 L573 N574 D575	S569-R571 PolarHBondContact O-N 3.14Å; R571-L573 PolarHBondContact O-N 3.05Å; R571-N574 PolarHBondContact O-N 3.32Å; R571-D575 WeakPolarHBondContact O-CB 3.4Å; R571-D575 PolarHBondContact O-N 2.94Å
572	L	78.4	Confident	70.7	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-60.9	-45.1	178.3	175	68.2	0	0	0	111.6	L514 S534 L535 H538 V566 S569 D570 N574 D575 L576	L514-L572 HydrophobicContact CD2-CD2 4.46Å; S534-L572 VanDerWaalsContact O-CD1 3.32Å; S534-L572 WeakPolarHBondContact O-CD1 3.48Å; L535-L572 HydrophobicContact CD2-CD1 3.9Å; L535-L572 HydrophobicContact CD2-CD2 4.26Å; H538-L572 HydrophobicContact CB-CD2 4.33Å; V566-L572 HydrophobicContact CG1-CD2 3.24Å; S569-L572 WeakPolarHBondContact O-CB 3.41Å; S569-L572 PolarHBondContact O-N 3.19Å; S569-L572 VanDerWaalsContact O-N 3.1Å; S569-L572 PolarHBondContact OG-N 3.28Å; D570-L572 VanDerWaalsContact C-N 3.35Å; D570-L572 PolarHBondContact O-N 3Å; L572-N574 VanDerWaalsContact C-N 3.34Å; L572-N574 PolarHBondContact O-N 3.29Å; L572-D575 PolarHBondContact O-N 3.18Å; L572-L576 HydrophobicContact CD1-CD1 4.04Å; L572-L576 HydrophobicContact CD1-CG 4.05Å; L572-L576 HydrophobicContact CG-CD1 3.93Å; L572-L576 HydrophobicContact CG-CG 4.31Å; L572-L576 WeakPolarHBondContact O-CB 3.35Å; L572-L576 WeakPolarHBondContact O-CG 3.45Å; L572-L576 PolarHBondContact O-N 2.84Å
573	L	76.4	Confident	69.2	Low	32 Å²	32	58.3 Å²	58.3	17%	0.168	31%	0.307	C	S	.	.	H	α-helix	trans	-64.6	-39.2	-178.5	-67.5	174.8	0	0	0	112	R507 L514 S569 D570 R571 R577	R507-L573 VanDerWaalsContact CZ-CD1 3.48Å; L514-L573 HydrophobicContact CD1-CD2 4.01Å; S569-L573 PolarHBondContact O-N 3.31Å; S569-L573 VanDerWaalsContact O-N 3.14Å; D570-L573 PolarHBondContact O-N 3.46Å; R571-L573 PolarHBondContact O-N 3.05Å; L573-R577 VanDerWaalsContact O-CG 3.3Å; L573-R577 WeakPolarHBondContact O-CG 3.26Å; L573-R577 PolarHBondContact O-N 2.86Å
574	N	71.4	Confident	67.6	Low	58 Å²	58	57.3 Å²	57.3	31%	0.31	30%	0.295	S	S	.	.	H	α-helix	trans	-68.2	-44.1	176.1	-75.8	-27.7	0	0	0	111.8	D570 R571 L572 L576 R577 G578	D570-N574 WeakPolarHBondContact O-CB 3.49Å; D570-N574 PolarHBondContact O-N 2.91Å; D570-N574 PolarHBondContact O-ND2 3.16Å; R571-N574 PolarHBondContact O-N 3.32Å; L572-N574 VanDerWaalsContact C-N 3.34Å; L572-N574 PolarHBondContact O-N 3.29Å; N574-L576 VanDerWaalsContact C-N 3.31Å; N574-L576 PolarHBondContact O-N 3.1Å; N574-R577 PolarHBondContact O-N 3.49Å; N574-G578 PolarHBondContact O-N 2.99Å
575	D	72.1	Confident	66.1	Low	68 Å²	68	59 Å²	59	36%	0.364	31%	0.311	S	S	.	.	H	α-helix	trans	-59.8	-43.7	175.5	-68.6	-12	0	0	0	110.7	R571 L572 G578 L579	R571-D575 WeakPolarHBondContact O-CB 3.4Å; R571-D575 PolarHBondContact O-N 2.94Å; L572-D575 PolarHBondContact O-N 3.18Å; D575-G578 PolarHBondContact O-N 3.35Å; D575-L579 WeakPolarHBondContact O-CB 3.26Å; D575-L579 WeakPolarHBondContact O-CD1 3.43Å; D575-L579 VanDerWaalsContact O-CG 3.31Å; D575-L579 WeakPolarHBondContact O-CG 3.43Å; D575-L579 PolarHBondContact O-N 2.99Å
576	L	73.6	Confident	64.8	Low	10 Å²	10	54.4 Å²	54.4	5%	0.052	30%	0.295	C	S	.	.	H	α-helix	trans	-63.8	-41.8	175.6	-71.3	177.4	0	0	0	112.4	L514 I516 L531 L572 N574 L579 I580	L514-L576 HydrophobicContact CD2-CD1 3.96Å; I516-L576 HydrophobicContact CD1-CD1 4.48Å; L531-L576 HydrophobicContact CD1-CD2 3.37Å; L572-L576 HydrophobicContact CD1-CD1 4.04Å; L572-L576 HydrophobicContact CD1-CG 4.05Å; L572-L576 HydrophobicContact CG-CD1 3.93Å; L572-L576 HydrophobicContact CG-CG 4.31Å; L572-L576 WeakPolarHBondContact O-CB 3.35Å; L572-L576 WeakPolarHBondContact O-CG 3.45Å; L572-L576 PolarHBondContact O-N 2.84Å; N574-L576 VanDerWaalsContact C-N 3.31Å; N574-L576 PolarHBondContact O-N 3.1Å; L576-L579 HydrophobicContact CD2-CD1 4.48Å; L576-L579 PolarHBondContact O-N 3.2Å; L576-I580 VanDerWaalsContact O-CD1 3.24Å; L576-I580 WeakPolarHBondContact O-CD1 3.27Å; L576-I580 WeakPolarHBondContact O-CG1 3.24Å; L576-I580 PolarHBondContact O-N 3Å
577	R	68.3	Low	63.4	Low	152 Å²	152	55.4 Å²	55.4	57%	0.574	30%	0.303	S	S	*	.	H	α-helix	trans	-62.7	-42.8	175.3	-75.6	175	-170.5	169.8	3.7	111.6	L573 N574 L579 I580 G581	L573-R577 VanDerWaalsContact O-CG 3.3Å; L573-R577 WeakPolarHBondContact O-CG 3.26Å; L573-R577 PolarHBondContact O-N 2.86Å; N574-R577 PolarHBondContact O-N 3.49Å; R577-L579 VanDerWaalsContact C-N 3.31Å; R577-L579 PolarHBondContact O-N 3.41Å; R577-I580 PolarHBondContact O-N 3.45Å; R577-G581 PolarHBondContact O-N 2.87Å; R577-G581 VanDerWaalsContact O-N 3.07Å
578	G	63.9	Low	62.2	Low	45 Å²	45	59.3 Å²	59.3	46%	0.464	32%	0.319	S	S	.	.	H	α-helix	trans	-61.9	-38	176.1	0	0	0	0	0	112.8	N574 D575	N574-G578 PolarHBondContact O-N 2.99Å; D575-G578 PolarHBondContact O-N 3.35Å
579	L	64.5	Low	61.3	Low	30 Å²	30	60 Å²	60	16%	0.157	32%	0.322	C	S	.	.	H	α-helix	trans	-67.1	-37.2	177.8	-79.1	159.3	0	0	0	113.6	L527 R530 S534 D575 L576 R577	L527-L579 HydrophobicContact CD1-CB 4.31Å; L527-L579 HydrophobicContact CD1-CD2 4.23Å; R530-L579 HydrophobicContact CB-CD2 3.51Å; R530-L579 HydrophobicContact CG-CD2 4.19Å; S534-L579 WeakPolarHBondContact OG-CD1 3.43Å; D575-L579 WeakPolarHBondContact O-CB 3.26Å; D575-L579 WeakPolarHBondContact O-CD1 3.43Å; D575-L579 VanDerWaalsContact O-CG 3.31Å; D575-L579 WeakPolarHBondContact O-CG 3.43Å; D575-L579 PolarHBondContact O-N 2.99Å; L576-L579 HydrophobicContact CD2-CD1 4.48Å; L576-L579 PolarHBondContact O-N 3.2Å; R577-L579 VanDerWaalsContact C-N 3.31Å; R577-L579 PolarHBondContact O-N 3.41Å
580	I	60.6	Low	60.4	Low	41 Å²	41	60.6 Å²	60.6	21%	0.21	32%	0.323	C	S	.	.	H	α-helix	trans	-90.2	-14.6	-174.9	-50.6	158	0	0	0	111.4	I516 L576 R577	I516-I580 HydrophobicContact CG2-CD1 4.49Å; L576-I580 VanDerWaalsContact O-CD1 3.24Å; L576-I580 WeakPolarHBondContact O-CD1 3.27Å; L576-I580 WeakPolarHBondContact O-CG1 3.24Å; L576-I580 PolarHBondContact O-N 3Å; R577-I580 PolarHBondContact O-N 3.45Å
581	G	48.7	Very low	60	Low	35 Å²	35	61.6 Å²	61.6	36%	0.361	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-77.9	-18.7	-167.4	0	0	0	0	0	118	R577 E583 Q584	R577-G581 PolarHBondContact O-N 2.87Å; R577-G581 VanDerWaalsContact O-N 3.07Å; G581-E583 VanDerWaalsContact C-N 3.33Å; G581-E583 PolarHBondContact O-N 3.18Å; G581-Q584 PolarHBondContact O-N 3.27Å
582	S	44.9	Very low	59.2	Low	109 Å²	109	58.2 Å²	58.2	76%	0.762	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-73.8	-12.3	-165.8	53.5	0	0	0	0	116.3
583	E	42.1	Very low	58.5	Low	98 Å²	98	58.9 Å²	58.9	46%	0.458	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-121.5	5.7	175.8	-72.3	-160.8	151.4	0	0	114.5	G581 P585 I586 A587	G581-E583 VanDerWaalsContact C-N 3.33Å; G581-E583 PolarHBondContact O-N 3.18Å; E583-P585 VanDerWaalsContact C-CD 3.43Å; E583-I586 PolarHBondContact O-N 3.11Å; E583-A587 WeakPolarHBondContact O-CB 3.1Å; E583-A587 PolarHBondContact O-N 2.91Å; E583-A587 VanDerWaalsContact O-N 3.16Å
584	Q	44.2	Very low	58	Low	89 Å²	89	62.1 Å²	62.1	42%	0.416	35%	0.346	S	S	.	.	H	α-helix	trans	-55.6	-39.7	-169.1	-86.5	-136.7	-54	0	0	116.1	G581 I586 A587 E588	G581-Q584 PolarHBondContact O-N 3.27Å; Q584-I586 VanDerWaalsContact C-N 3.34Å; Q584-I586 PolarHBondContact O-N 3.02Å; Q584-A587 PolarHBondContact O-N 3.43Å; Q584-E588 VanDerWaalsContact CD-OE1 3.3Å; Q584-E588 PolarHBondContact NE2-OE1 3.15Å; Q584-E588 WeakPolarHBondContact O-CB 3.17Å; Q584-E588 WeakPolarHBondContact O-CG 3.32Å; Q584-E588 PolarHBondContact O-N 3.34Å; Q584-E588 PolarHBondContact OE1-OE1 3.49Å
585	P	44.6	Very low	57.8	Low	78 Å²	78	62.3 Å²	62.3	51%	0.506	35%	0.352	S	S	.	.	H	α-helix	trans	-63.1	-39.7	-175	-22.4	32.4	0	0	0	113.3	E583 L589 L624	E583-P585 VanDerWaalsContact C-CD 3.43Å; P585-L589 WeakPolarHBondContact O-CB 3.4Å; P585-L589 WeakPolarHBondContact O-CD1 3.44Å; P585-L589 VanDerWaalsContact O-CG 3.28Å; P585-L589 WeakPolarHBondContact O-CG 3.43Å; P585-L589 PolarHBondContact O-N 3.16Å; P585-L624 HydrophobicContact CB-CD2 4.08Å
586	I	51.7	Low	57.4	Low	22 Å²	22	61 Å²	61	11%	0.113	35%	0.345	C	S	.	.	H	α-helix	trans	-78.7	-45.1	-179.8	-62.1	164.8	0	0	0	109.9	E583 Q584 E588 L589 E590 L624 I628	E583-I586 PolarHBondContact O-N 3.11Å; Q584-I586 VanDerWaalsContact C-N 3.34Å; Q584-I586 PolarHBondContact O-N 3.02Å; I586-E588 VanDerWaalsContact C-N 3.32Å; I586-E588 PolarHBondContact O-N 3.04Å; I586-L589 PolarHBondContact O-N 3.31Å; I586-E590 HydrophobicContact CG2-CG 4.24Å; I586-E590 WeakPolarHBondContact O-CB 3.45Å; I586-E590 WeakPolarHBondContact O-CG 3.33Å; I586-E590 PolarHBondContact O-N 2.79Å; I586-L624 HydrophobicContact CG1-CD2 3.74Å; I586-I628 HydrophobicContact CD1-CD1 3.55Å; I586-I628 HydrophobicContact CG1-CD1 4.13Å
587	A	50.6	Low	57	Low	24 Å²	24	62.2 Å²	62.2	20%	0.198	35%	0.353	C	S	.	.	H	α-helix	trans	-64.1	-36	-179.3	0	0	0	0	0	112.4	E583 Q584 A591	E583-A587 WeakPolarHBondContact O-CB 3.1Å; E583-A587 PolarHBondContact O-N 2.91Å; E583-A587 VanDerWaalsContact O-N 3.16Å; Q584-A587 PolarHBondContact O-N 3.43Å; A587-A591 WeakPolarHBondContact O-CB 3.33Å; A587-A591 PolarHBondContact O-N 2.88Å
588	E	52.8	Low	56.8	Low	107 Å²	107	57.5 Å²	57.5	50%	0.5	35%	0.347	S	S	.	.	H	α-helix	trans	-69.2	-41.8	173.9	-74.1	-178.2	172.5	0	0	112	Q584 I586 K592	Q584-E588 VanDerWaalsContact CD-OE1 3.3Å; Q584-E588 PolarHBondContact NE2-OE1 3.15Å; Q584-E588 WeakPolarHBondContact O-CB 3.17Å; Q584-E588 WeakPolarHBondContact O-CG 3.32Å; Q584-E588 PolarHBondContact O-N 3.34Å; Q584-E588 PolarHBondContact OE1-OE1 3.49Å; I586-E588 VanDerWaalsContact C-N 3.32Å; I586-E588 PolarHBondContact O-N 3.04Å; E588-K592 VanDerWaalsContact O-CB 3.24Å; E588-K592 WeakPolarHBondContact O-CB 3.29Å; E588-K592 PolarHBondContact O-N 3.5Å
589	L	54.2	Low	56.7	Low	28 Å²	28	58.6 Å²	58.6	15%	0.147	34%	0.344	C	S	.	.	H	α-helix	trans	-63.6	-44.3	176	-80.7	167.4	0	0	0	111.6	P585 I586 K592 I593 L617	P585-L589 WeakPolarHBondContact O-CB 3.4Å; P585-L589 WeakPolarHBondContact O-CD1 3.44Å; P585-L589 VanDerWaalsContact O-CG 3.28Å; P585-L589 WeakPolarHBondContact O-CG 3.43Å; P585-L589 PolarHBondContact O-N 3.16Å; I586-L589 PolarHBondContact O-N 3.31Å; L589-K592 WeakPolarHBondContact O-CB 3.42Å; L589-K592 PolarHBondContact O-N 3.17Å; L589-I593 VanDerWaalsContact O-CG1 3.28Å; L589-I593 WeakPolarHBondContact O-CG1 3.34Å; L589-I593 PolarHBondContact O-N 2.88Å; L589-L617 HydrophobicContact CD2-CD2 3.69Å
590	E	58.2	Low	56.4	Low	32 Å²	32	59.6 Å²	59.6	15%	0.15	35%	0.354	C	S	.	.	H	α-helix	trans	-68.6	-43.2	177.2	-71.9	174.8	132.3	0	0	112.1	R521 I586 K592 I593 D594	R521-E590 IonicContact CZ-OE1 3.1Å; R521-E590 IonicContact CZ-OE2 3Å; R521-E590 IonicContact NH1-OE1 2.89Å; R521-E590 PolarHBondContact NH1-OE1 3Å; R521-E590 IonicContact NH1-OE2 2.71Å; R521-E590 PolarHBondContact NH1-OE2 3.41Å; R521-E590 IonicContact NH2-OE1 2.86Å; R521-E590 PolarHBondContact NH2-OE1 3.17Å; R521-E590 VanDerWaalsContact NH2-OE1 3.08Å; R521-E590 IonicContact NH2-OE2 3.13Å; R521-E590 PolarHBondContact NH2-OE2 3.47Å; I586-E590 HydrophobicContact CG2-CG 4.24Å; I586-E590 WeakPolarHBondContact O-CB 3.45Å; I586-E590 WeakPolarHBondContact O-CG 3.33Å; I586-E590 PolarHBondContact O-N 2.79Å; E590-K592 PolarHBondContact O-N 3.05Å; E590-I593 PolarHBondContact O-N 3.18Å; E590-I593 VanDerWaalsContact O-N 3.12Å; E590-D594 PolarHBondContact O-N 2.71Å
591	A	62.7	Low	56.2	Low	54 Å²	54	67.9 Å²	67.9	45%	0.446	38%	0.382	S	S	.	.	H	α-helix	trans	-59.3	-35.3	173.2	0	0	0	0	0	111.5	A587 S595	A587-A591 WeakPolarHBondContact O-CB 3.33Å; A587-A591 PolarHBondContact O-N 2.88Å; A591-S595 WeakPolarHBondContact O-CB 3.41Å; A591-S595 PolarHBondContact O-N 2.89Å; A591-S595 PolarHBondContact O-OG 3.12Å
592	K	60	Low	56.5	Low	111 Å²	111	74.1 Å²	74.1	48%	0.483	40%	0.402	S	S	.	.	H	α-helix	trans	-68.5	-44.2	174.5	-159	172.4	-173.2	-174.8	0	111.6	E588 L589 E590 S595 L596 L617	E588-K592 VanDerWaalsContact O-CB 3.24Å; E588-K592 WeakPolarHBondContact O-CB 3.29Å; E588-K592 PolarHBondContact O-N 3.5Å; L589-K592 WeakPolarHBondContact O-CB 3.42Å; L589-K592 PolarHBondContact O-N 3.17Å; E590-K592 PolarHBondContact O-N 3.05Å; K592-S595 WeakPolarHBondContact CA-OG 3.37Å; K592-S595 PolarHBondContact O-N 3.39Å; K592-S595 PolarHBondContact O-OG 3.23Å; K592-L596 HydrophobicContact CG-CD1 4.35Å; K592-L596 VanDerWaalsContact O-CG 3.31Å; K592-L596 WeakPolarHBondContact O-CG 3.4Å; K592-L596 PolarHBondContact O-N 2.79Å; K592-L617 HydrophobicContact CD-CD1 4.41Å; K592-L617 HydrophobicContact CG-CD1 4.33Å
593	I	63.6	Low	56.7	Low	13 Å²	13	73.6 Å²	73.6	7%	0.067	39%	0.39	C	S	.	.	H	α-helix	trans	-59.3	-47.3	174.1	-69.3	161.5	0	0	0	110.7	L589 E590 S595 L596 T597 V614 L617 R618	L589-I593 VanDerWaalsContact O-CG1 3.28Å; L589-I593 WeakPolarHBondContact O-CG1 3.34Å; L589-I593 PolarHBondContact O-N 2.88Å; E590-I593 PolarHBondContact O-N 3.18Å; E590-I593 VanDerWaalsContact O-N 3.12Å; I593-S595 VanDerWaalsContact C-N 3.34Å; I593-S595 PolarHBondContact O-N 3.19Å; I593-L596 PolarHBondContact O-N 3Å; I593-T597 WeakPolarHBondContact O-CB 3.32Å; I593-T597 PolarHBondContact O-N 3.34Å; I593-T597 PolarHBondContact O-OG1 3.13Å; I593-V614 HydrophobicContact CG2-CG1 4.35Å; I593-L617 HydrophobicContact CD1-CB 3.99Å; I593-L617 HydrophobicContact CG1-CB 3.61Å; I593-L617 HydrophobicContact CG1-CD1 4.33Å; I593-R618 HydrophobicContact CD1-CG 4Å; I593-R618 HydrophobicContact CG2-CG 4.35Å
594	D	65.8	Low	57.1	Low	100 Å²	100	78.5 Å²	78.5	54%	0.535	41%	0.414	S	S	.	.	H	α-helix	trans	-63.8	-41.2	180	-74.1	-16.6	0	0	0	111.1	E590 T597 A598	E590-D594 PolarHBondContact O-N 2.71Å; D594-T597 PolarHBondContact O-N 3.25Å; D594-A598 VanDerWaalsContact O-CB 3.31Å; D594-A598 WeakPolarHBondContact O-CB 3.42Å; D594-A598 PolarHBondContact O-N 3.23Å
595	S	66	Low	57.4	Low	62 Å²	62	83.7 Å²	83.7	43%	0.434	44%	0.435	S	S	.	.	H	α-helix	trans	-63.7	-43	176.3	72	0	0	0	0	112.5	A591 K592 I593 A598 V599	A591-S595 WeakPolarHBondContact O-CB 3.41Å; A591-S595 PolarHBondContact O-N 2.89Å; A591-S595 PolarHBondContact O-OG 3.12Å; K592-S595 WeakPolarHBondContact CA-OG 3.37Å; K592-S595 PolarHBondContact O-N 3.39Å; K592-S595 PolarHBondContact O-OG 3.23Å; I593-S595 VanDerWaalsContact C-N 3.34Å; I593-S595 PolarHBondContact O-N 3.19Å; S595-A598 PolarHBondContact O-N 2.92Å; S595-V599 VanDerWaalsContact O-CG2 3.3Å; S595-V599 WeakPolarHBondContact O-CG2 3.44Å; S595-V599 PolarHBondContact O-N 3.02Å; S595-V599 VanDerWaalsContact O-N 3.16Å
596	L	64.7	Low	57.6	Low	41 Å²	41	84 Å²	84	22%	0.215	43%	0.432	C	S	.	.	H	α-helix	trans	-67.5	-39.2	176.7	-70.5	167	0	0	0	112	K592 I593 A598 V599 S600 I610 E613 V614 L617	K592-L596 HydrophobicContact CG-CD1 4.35Å; K592-L596 VanDerWaalsContact O-CG 3.31Å; K592-L596 WeakPolarHBondContact O-CG 3.4Å; K592-L596 PolarHBondContact O-N 2.79Å; I593-L596 PolarHBondContact O-N 3Å; L596-A598 VanDerWaalsContact C-N 3.34Å; L596-V599 PolarHBondContact O-N 2.76Å; L596-S600 PolarHBondContact O-N 3.23Å; L596-S600 VanDerWaalsContact O-N 3.15Å; L596-I610 HydrophobicContact CB-CG2 4.32Å; L596-E613 HydrophobicContact CD1-CG 4.31Å; L596-V614 HydrophobicContact CB-CG2 3.71Å; L596-V614 HydrophobicContact CD1-CG2 4.43Å; L596-L617 HydrophobicContact CD1-CD1 3.46Å; L596-L617 VanDerWaalsContact CD1-CD1 3.46Å
597	T	64.1	Low	57.4	Low	36 Å²	36	91 Å²	91	22%	0.221	47%	0.469	C	S	.	.	H	α-helix	trans	-68.2	-34.5	177.6	-49.7	0	0	0	0	111.5	I593 D594 R601	I593-T597 WeakPolarHBondContact O-CB 3.32Å; I593-T597 PolarHBondContact O-N 3.34Å; I593-T597 PolarHBondContact O-OG1 3.13Å; D594-T597 PolarHBondContact O-N 3.25Å; T597-R601 PolarHBondContact O-N 2.89Å
598	A	64.6	Low	57.5	Low	53 Å²	53	95.5 Å²	95.5	44%	0.438	49%	0.489	S	S	.	.	H	α-helix	trans	-69.1	-37.8	175.9	0	0	0	0	0	112.5	D594 S595 L596 R601	D594-A598 VanDerWaalsContact O-CB 3.31Å; D594-A598 WeakPolarHBondContact O-CB 3.42Å; D594-A598 PolarHBondContact O-N 3.23Å; S595-A598 PolarHBondContact O-N 2.92Å; L596-A598 VanDerWaalsContact C-N 3.34Å; A598-R601 PolarHBondContact O-N 2.91Å
599	V	62.2	Low	58	Low	68 Å²	68	94.5 Å²	94.5	41%	0.412	49%	0.487	S	S	.	.	H	α-helix	trans	-66.2	-40.7	176.2	172.6	0	0	0	0	111.4	S595 L596 R601 Q602 I610	S595-V599 VanDerWaalsContact O-CG2 3.3Å; S595-V599 WeakPolarHBondContact O-CG2 3.44Å; S595-V599 PolarHBondContact O-N 3.02Å; S595-V599 VanDerWaalsContact O-N 3.16Å; L596-V599 PolarHBondContact O-N 2.76Å; V599-R601 PolarHBondContact O-N 3.05Å; V599-Q602 PolarHBondContact O-N 3.45Å; V599-Q602 VanDerWaalsContact O-N 3.17Å; V599-I610 HydrophobicContact CG1-CD1 4.48Å
600	S	57.4	Low	58.5	Low	51 Å²	51	94.7 Å²	94.7	36%	0.357	49%	0.488	S	S	.	.	H	α-helix	trans	-58.4	-32	175.2	168.9	0	0	0	0	113.2	L596	L596-S600 PolarHBondContact O-N 3.23Å; L596-S600 VanDerWaalsContact O-N 3.15Å
601	R	57.8	Low	58.9	Low	214 Å²	214	99.1 Å²	99.1	81%	0.808	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-15.3	179	-72.9	-177.7	177.7	172.5	0.6	115	T597 A598 V599	T597-R601 PolarHBondContact O-N 2.89Å; A598-R601 PolarHBondContact O-N 2.91Å; V599-R601 PolarHBondContact O-N 3.05Å
602	Q	54.1	Low	59.2	Low	167 Å²	167	102 Å²	102	78%	0.78	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-21.4	-175.2	-77	-172	-22.7	0	0	114.1	V599	V599-Q602 PolarHBondContact O-N 3.45Å; V599-Q602 VanDerWaalsContact O-N 3.17Å
603	D	48.7	Very low	59.7	Low	97 Å²	97	99.7 Å²	99.7	52%	0.519	51%	0.507	S	S	.	.			trans	-135.5	93.6	-177.9	-93.1	-40.8	0	0	0	111.6	K605 L606	D603-K605 PolarHBondContact O-N 2.78Å; D603-L606 HydrophobicContact CB-CD1 3.75Å; D603-L606 HydrophobicContact CB-CG 4.4Å; D603-L606 PolarHBondContact O-N 3.49Å
604	E	51	Low	60.2	Low	202 Å²	202	99.5 Å²	99.5	94%	0.944	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	0.9	173.4	-73.2	-177.5	160	0	0	114
605	K	50.9	Low	60.6	Low	198 Å²	198	100 Å²	100	86%	0.861	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.1	3.7	-175	-76.6	-175.3	176.8	178.2	0	115.1	D603 D607	D603-K605 PolarHBondContact O-N 2.78Å; K605-D607 PolarHBondContact O-N 2.85Å
606	L	49.2	Very low	61.2	Low	84 Å²	84	103.7 Å²	103.7	44%	0.44	51%	0.51	S	S	.	.			trans	-88.2	91.6	174.7	-87.1	156.1	0	0	0	110	D603 I608	D603-L606 HydrophobicContact CB-CD1 3.75Å; D603-L606 HydrophobicContact CB-CG 4.4Å; D603-L606 PolarHBondContact O-N 3.49Å; L606-I608 HydrophobicContact CD2-CD1 3.78Å; L606-I608 HydrophobicContact CD2-CG1 4.37Å; L606-I608 PolarHBondContact O-N 3.27Å
607	D	46	Very low	61.6	Low	168 Å²	168	102.3 Å²	102.3	90%	0.898	50%	0.503	S	S	*	.			trans	-73.1	55.1	176.2	-154.3	16	0	0	0	111.4	K605	K605-D607 PolarHBondContact O-N 2.85Å
608	I	54.3	Low	62.1	Low	119 Å²	119	107 Å²	107	61%	0.61	52%	0.517	S	S	*	.	S	Bend	trans	-138.6	142.1	-172.5	-46.1	179.2	0	0	0	109.9	L606 I610	L606-I608 HydrophobicContact CD2-CD1 3.78Å; L606-I608 HydrophobicContact CD2-CG1 4.37Å; L606-I608 PolarHBondContact O-N 3.27Å; I608-I610 WeakPolarHBondContact O-CG1 3.35Å; I608-I610 PolarHBondContact O-N 3.23Å
609	N	63.5	Low	62.7	Low	87 Å²	87	110 Å²	110	47%	0.465	52%	0.522	S	S	.	.	S	Bend	trans	-52.2	42.5	-169.6	-151.8	7.1	0	0	0	118.8	E612 E613	N609-E612 VanDerWaalsContact CG-OE2 3.3Å; N609-E612 PolarHBondContact ND2-OE2 2.82Å; N609-E612 WeakPolarHBondContact OD1-CB 3.22Å; N609-E612 WeakPolarHBondContact OD1-CG 3.41Å; N609-E612 PolarHBondContact OD1-OE2 3.4Å; N609-E613 PolarHBondContact O-N 3.31Å
610	I	64.3	Low	63.3	Low	32 Å²	32	112.3 Å²	112.3	16%	0.164	53%	0.526	C	S	.	.	H	α-helix	trans	-73.3	-38.7	-176	-63	167.1	0	0	0	110.4	L596 V599 I608 E613 V614	L596-I610 HydrophobicContact CB-CG2 4.32Å; V599-I610 HydrophobicContact CG1-CD1 4.48Å; I608-I610 WeakPolarHBondContact O-CG1 3.35Å; I608-I610 PolarHBondContact O-N 3.23Å; I610-E613 PolarHBondContact O-N 2.97Å; I610-V614 HydrophobicContact CG2-CG2 4.19Å; I610-V614 WeakPolarHBondContact O-CB 3.35Å; I610-V614 VanDerWaalsContact O-CG2 3.26Å; I610-V614 WeakPolarHBondContact O-CG2 3.43Å; I610-V614 PolarHBondContact O-N 3.09Å
611	D	65.2	Low	64	Low	125 Å²	125	110.5 Å²	110.5	67%	0.668	51%	0.513	S	S	*	.	H	α-helix	trans	-65.8	-40.9	-179.5	-73.2	-38.9	0	0	0	112.7	V614 H615	D611-V614 PolarHBondContact O-N 2.79Å; D611-H615 WeakPolarHBondContact O-CB 3.46Å; D611-H615 PolarHBondContact O-N 3.32Å
612	E	70.9	Confident	64.8	Low	114 Å²	114	103.5 Å²	103.5	53%	0.533	50%	0.495	S	S	.	.	H	α-helix	trans	-67	-39.3	174.9	-65.7	-176.3	172.9	0	0	111.9	N609 H615 R616	N609-E612 VanDerWaalsContact CG-OE2 3.3Å; N609-E612 PolarHBondContact ND2-OE2 2.82Å; N609-E612 WeakPolarHBondContact OD1-CB 3.22Å; N609-E612 WeakPolarHBondContact OD1-CG 3.41Å; N609-E612 PolarHBondContact OD1-OE2 3.4Å; E612-H615 PolarHBondContact O-N 3.24Å; E612-R616 WeakPolarHBondContact O-CB 3.28Å; E612-R616 PolarHBondContact O-N 3.35Å
613	E	70	Confident	65.9	Low	62 Å²	62	100.2 Å²	100.2	29%	0.29	48%	0.479	S	S	.	.	H	α-helix	trans	-68.8	-38.6	178.8	-172.2	65.9	-175.1	0	0	111.1	L596 N609 I610 R616 L617	L596-E613 HydrophobicContact CD1-CG 4.31Å; N609-E613 PolarHBondContact O-N 3.31Å; I610-E613 PolarHBondContact O-N 2.97Å; E613-R616 PolarHBondContact O-N 2.93Å; E613-R616 IonicContact OE2-CZ 2.82Å; E613-R616 IonicContact OE2-NE 2.95Å; E613-R616 IonicContact OE2-NH1 3.08Å; E613-R616 PolarHBondContact OE2-NH1 3.45Å; E613-L617 HydrophobicContact CG-CD1 4.21Å; E613-L617 WeakPolarHBondContact O-CB 3.36Å; E613-L617 WeakPolarHBondContact O-CG 3.47Å; E613-L617 PolarHBondContact O-N 2.93Å
614	V	72.9	Confident	67	Low	10 Å²	10	98 Å²	98	6%	0.061	47%	0.467	C	S	.	.	H	α-helix	trans	-62.3	-43.8	171.6	168.5	0	0	0	0	110.8	I593 L596 I610 D611 L617 R618	I593-V614 HydrophobicContact CG2-CG1 4.35Å; L596-V614 HydrophobicContact CB-CG2 3.71Å; L596-V614 HydrophobicContact CD1-CG2 4.43Å; I610-V614 HydrophobicContact CG2-CG2 4.19Å; I610-V614 WeakPolarHBondContact O-CB 3.35Å; I610-V614 VanDerWaalsContact O-CG2 3.26Å; I610-V614 WeakPolarHBondContact O-CG2 3.43Å; I610-V614 PolarHBondContact O-N 3.09Å; D611-V614 PolarHBondContact O-N 2.79Å; V614-L617 PolarHBondContact O-N 3.13Å; V614-R618 WeakPolarHBondContact O-CB 3.39Å; V614-R618 VanDerWaalsContact O-CG 3.29Å; V614-R618 WeakPolarHBondContact O-CG 3.44Å; V614-R618 PolarHBondContact O-N 3.33Å
615	H	75.4	Confident	68	Low	111 Å²	111	88.5 Å²	88.5	51%	0.514	42%	0.423	S	S	.	.	H	α-helix	trans	-60.6	-48.5	176.6	-169.1	-79.3	0	0	0	111.5	D611 E612 L617 R618 E619	D611-H615 WeakPolarHBondContact O-CB 3.46Å; D611-H615 PolarHBondContact O-N 3.32Å; E612-H615 PolarHBondContact O-N 3.24Å; H615-L617 PolarHBondContact O-N 3.04Å; H615-R618 WeakPolarHBondContact O-CB 3.42Å; H615-R618 PolarHBondContact O-N 2.92Å; H615-E619 VanDerWaalsContact CE1-CD 3.43Å; H615-E619 IonicContact CE1-OE1 3.22Å; H615-E619 PolarHBondContact CE1-OE1 2.94Å; H615-E619 IonicContact CE1-OE2 2.7Å; H615-E619 IonicContact ND1-OE1 2.83Å; H615-E619 IonicContact ND1-OE2 2.85Å; H615-E619 PolarHBondContact O-N 2.68Å
616	R	77.2	Confident	69.3	Low	138 Å²	138	86.6 Å²	86.6	52%	0.521	41%	0.41	S	S	.	.	H	α-helix	trans	-60.7	-43.3	178.5	-171	-172	-57.4	165.4	-3.1	112.5	E612 E613 R618 E619 K620	E612-R616 WeakPolarHBondContact O-CB 3.28Å; E612-R616 PolarHBondContact O-N 3.35Å; E613-R616 PolarHBondContact O-N 2.93Å; E613-R616 IonicContact OE2-CZ 2.82Å; E613-R616 IonicContact OE2-NE 2.95Å; E613-R616 IonicContact OE2-NH1 3.08Å; E613-R616 PolarHBondContact OE2-NH1 3.45Å; R616-R618 VanDerWaalsContact C-N 3.34Å; R616-E619 PolarHBondContact O-N 3.5Å; R616-K620 WeakPolarHBondContact O-CB 3.45Å; R616-K620 PolarHBondContact O-N 2.97Å
617	L	74.4	Confident	70.5	Confident	12 Å²	12	88.5 Å²	88.5	6%	0.063	42%	0.415	C	S	.	.	H	α-helix	trans	-66.6	-36.6	176.7	-71	171.6	0	0	0	111.8	L589 K592 I593 L596 E613 V614 H615 S621	L589-L617 HydrophobicContact CD2-CD2 3.69Å; K592-L617 HydrophobicContact CD-CD1 4.41Å; K592-L617 HydrophobicContact CG-CD1 4.33Å; I593-L617 HydrophobicContact CD1-CB 3.99Å; I593-L617 HydrophobicContact CG1-CB 3.61Å; I593-L617 HydrophobicContact CG1-CD1 4.33Å; L596-L617 HydrophobicContact CD1-CD1 3.46Å; L596-L617 VanDerWaalsContact CD1-CD1 3.46Å; E613-L617 HydrophobicContact CG-CD1 4.21Å; E613-L617 WeakPolarHBondContact O-CB 3.36Å; E613-L617 WeakPolarHBondContact O-CG 3.47Å; E613-L617 PolarHBondContact O-N 2.93Å; V614-L617 PolarHBondContact O-N 3.13Å; H615-L617 PolarHBondContact O-N 3.04Å; L617-S621 WeakPolarHBondContact O-CB 3.02Å; L617-S621 PolarHBondContact O-N 2.78Å
618	R	75.3	Confident	71.8	Confident	134 Å²	134	83.9 Å²	83.9	51%	0.506	39%	0.39	S	S	.	.	H	α-helix	trans	-64.9	-46.6	173.6	-77.2	176.7	178.3	176.2	3.7	111.9	I593 V614 H615 R616 K620 S621 V622	I593-R618 HydrophobicContact CD1-CG 4Å; I593-R618 HydrophobicContact CG2-CG 4.35Å; V614-R618 WeakPolarHBondContact O-CB 3.39Å; V614-R618 VanDerWaalsContact O-CG 3.29Å; V614-R618 WeakPolarHBondContact O-CG 3.44Å; V614-R618 PolarHBondContact O-N 3.33Å; H615-R618 WeakPolarHBondContact O-CB 3.42Å; H615-R618 PolarHBondContact O-N 2.92Å; R616-R618 VanDerWaalsContact C-N 3.34Å; R618-K620 VanDerWaalsContact C-N 3.33Å; R618-K620 PolarHBondContact O-N 3.38Å; R618-S621 WeakPolarHBondContact O-CB 3.02Å; R618-S621 PolarHBondContact O-N 3.1Å; R618-V622 WeakPolarHBondContact O-CG2 3.22Å; R618-V622 PolarHBondContact O-N 2.95Å
619	E	77.2	Confident	73	Confident	116 Å²	116	79.4 Å²	79.4	54%	0.542	37%	0.366	S	S	.	.	H	α-helix	trans	-58.7	-46.3	175.2	-75.2	-176.4	144.6	0	0	111.4	H615 R616 S621 V622 E623	H615-E619 VanDerWaalsContact CE1-CD 3.43Å; H615-E619 IonicContact CE1-OE1 3.22Å; H615-E619 PolarHBondContact CE1-OE1 2.94Å; H615-E619 IonicContact CE1-OE2 2.7Å; H615-E619 IonicContact ND1-OE1 2.83Å; H615-E619 IonicContact ND1-OE2 2.85Å; H615-E619 PolarHBondContact O-N 2.68Å; R616-E619 PolarHBondContact O-N 3.5Å; E619-S621 VanDerWaalsContact C-N 3.32Å; E619-S621 PolarHBondContact O-N 2.73Å; E619-V622 PolarHBondContact O-N 2.73Å; E619-E623 PolarHBondContact O-N 2.93Å
620	K	74.4	Confident	73.6	Confident	118 Å²	118	78.8 Å²	78.8	51%	0.513	37%	0.373	S	S	.	.	H	α-helix	trans	-61.5	-40.2	176.8	-169.1	173.2	-175.9	176.3	0	112.2	R616 R618 E623 L624	R616-K620 WeakPolarHBondContact O-CB 3.45Å; R616-K620 PolarHBondContact O-N 2.97Å; R618-K620 VanDerWaalsContact C-N 3.33Å; R618-K620 PolarHBondContact O-N 3.38Å; K620-E623 PolarHBondContact O-N 3.26Å; K620-L624 VanDerWaalsContact O-CB 3.29Å; K620-L624 WeakPolarHBondContact O-CB 3.5Å; K620-L624 PolarHBondContact O-N 3.33Å
621	S	71.2	Confident	74.1	Confident	12 Å²	12	83.9 Å²	83.9	8%	0.084	40%	0.4	C	S	.	.	H	α-helix	trans	-63.8	-42.8	175.6	-178.4	0	0	0	0	111.9	L617 R618 E619 T625	L617-S621 WeakPolarHBondContact O-CB 3.02Å; L617-S621 PolarHBondContact O-N 2.78Å; R618-S621 WeakPolarHBondContact O-CB 3.02Å; R618-S621 PolarHBondContact O-N 3.1Å; E619-S621 VanDerWaalsContact C-N 3.32Å; E619-S621 PolarHBondContact O-N 2.73Å; S621-T625 VanDerWaalsContact O-CB 3.29Å; S621-T625 WeakPolarHBondContact O-CB 3.26Å; S621-T625 PolarHBondContact O-N 2.84Å; S621-T625 PolarHBondContact O-OG1 3.45Å
622	V	75.9	Confident	75	Confident	68 Å²	68	79.3 Å²	79.3	41%	0.412	38%	0.376	S	S	.	.	H	α-helix	trans	-63.6	-45	175.6	169.7	0	0	0	0	111.2	R618 E619 T625 R626 L846	R618-V622 WeakPolarHBondContact O-CG2 3.22Å; R618-V622 PolarHBondContact O-N 2.95Å; E619-V622 PolarHBondContact O-N 2.73Å; V622-T625 PolarHBondContact O-N 3.26Å; V622-R626 WeakPolarHBondContact O-CB 3.41Å; V622-R626 PolarHBondContact O-N 2.78Å; V622-L846 HydrophobicContact CG1-CD2 3.82Å
623	E	75.1	Confident	75.6	Confident	98 Å²	98	74.9 Å²	74.9	46%	0.458	36%	0.36	S	S	.	.	H	α-helix	trans	-64.2	-45.5	178.5	-166.3	-168	158	0	0	111.5	E619 K620 R626 K627	E619-E623 PolarHBondContact O-N 2.93Å; K620-E623 PolarHBondContact O-N 3.26Å; E623-R626 PolarHBondContact O-N 2.81Å; E623-K627 WeakPolarHBondContact O-CG 3.37Å; E623-K627 PolarHBondContact O-N 2.77Å; E623-K627 VanDerWaalsContact OE1-CE 3.24Å; E623-K627 WeakPolarHBondContact OE1-CE 3.44Å; E623-K627 IonicContact OE1-NZ 3.77Å; E623-K627 PolarHBondContact OE1-NZ 2.93Å
624	L	72.2	Confident	76.5	Confident	51 Å²	51	72 Å²	72	27%	0.267	35%	0.347	S	S	.	.	H	α-helix	trans	-63.8	-42.6	177.6	-154.4	98.5	0	0	0	111.2	P585 I586 K620 R626 K627 I628	P585-L624 HydrophobicContact CB-CD2 4.08Å; I586-L624 HydrophobicContact CG1-CD2 3.74Å; K620-L624 VanDerWaalsContact O-CB 3.29Å; K620-L624 WeakPolarHBondContact O-CB 3.5Å; K620-L624 PolarHBondContact O-N 3.33Å; L624-R626 VanDerWaalsContact C-N 3.31Å; L624-R626 PolarHBondContact O-N 3.26Å; L624-K627 PolarHBondContact O-N 2.96Å; L624-I628 HydrophobicContact CD2-CD1 3.81Å; L624-I628 HydrophobicContact CG-CD1 4.06Å; L624-I628 WeakPolarHBondContact O-CB 3.28Å; L624-I628 WeakPolarHBondContact O-CG1 3.05Å; L624-I628 PolarHBondContact O-N 2.6Å
625	T	73.1	Confident	77.3	Confident	2 Å²	2	74 Å²	74	1%	0.012	35%	0.354	C	S	.	.	H	α-helix	trans	-60.3	-42.8	174.7	-57.5	0	0	0	0	110.3	S621 V622 I628 F629 L846	S621-T625 VanDerWaalsContact O-CB 3.29Å; S621-T625 WeakPolarHBondContact O-CB 3.26Å; S621-T625 PolarHBondContact O-N 2.84Å; S621-T625 PolarHBondContact O-OG1 3.45Å; V622-T625 PolarHBondContact O-N 3.26Å; T625-I628 PolarHBondContact O-N 3.45Å; T625-F629 HydrophobicContact CG2-CD2 3.82Å; T625-F629 HydrophobicContact CG2-CE2 4.1Å; T625-F629 WeakPolarHBondContact O-CB 3.31Å; T625-F629 VanDerWaalsContact O-CD2 3.3Å; T625-F629 WeakPolarHBondContact O-CD2 3.24Å; T625-F629 PolarHBondContact O-N 3.13Å; T625-L846 HydrophobicContact CG2-CD1 4.3Å; T625-L846 HydrophobicContact CG2-CD2 4.45Å; T625-L846 HydrophobicContact CG2-CG 3.96Å
626	R	77.7	Confident	77.9	Confident	158 Å²	158	72.9 Å²	72.9	60%	0.596	35%	0.349	S	S	*	.	H	α-helix	trans	-63.4	-43.5	177.6	-171.4	-177.9	-68.6	158.6	-1.2	112	V622 E623 L624 A630 L846	V622-R626 WeakPolarHBondContact O-CB 3.41Å; V622-R626 PolarHBondContact O-N 2.78Å; E623-R626 PolarHBondContact O-N 2.81Å; L624-R626 VanDerWaalsContact C-N 3.31Å; L624-R626 PolarHBondContact O-N 3.26Å; R626-A630 VanDerWaalsContact O-CB 3.32Å; R626-A630 WeakPolarHBondContact O-CB 2.98Å; R626-A630 PolarHBondContact O-N 2.8Å; R626-L846 HydrophobicContact CB-CD1 4.18Å
627	K	74.5	Confident	78.6	Confident	124 Å²	124	66.8 Å²	66.8	54%	0.539	33%	0.327	S	S	.	.	H	α-helix	trans	-62.1	-48.9	176.6	-73	179.6	-176.1	169.5	0	111.5	E623 L624 F629 A630	E623-K627 WeakPolarHBondContact O-CG 3.37Å; E623-K627 PolarHBondContact O-N 2.77Å; E623-K627 VanDerWaalsContact OE1-CE 3.24Å; E623-K627 WeakPolarHBondContact OE1-CE 3.44Å; E623-K627 IonicContact OE1-NZ 3.77Å; E623-K627 PolarHBondContact OE1-NZ 2.93Å; L624-K627 PolarHBondContact O-N 2.96Å; K627-F629 PolarHBondContact O-N 2.84Å; K627-A630 PolarHBondContact O-N 3.42Å
628	I	73.6	Confident	79.3	Confident	71 Å²	71	66.3 Å²	66.3	36%	0.364	32%	0.324	S	S	.	.	H	α-helix	trans	-62.5	-42.4	-179.7	-69.4	163.3	0	0	0	111.6	I586 L624 T625 A630 L632	I586-I628 HydrophobicContact CD1-CD1 3.55Å; I586-I628 HydrophobicContact CG1-CD1 4.13Å; L624-I628 HydrophobicContact CD2-CD1 3.81Å; L624-I628 HydrophobicContact CG-CD1 4.06Å; L624-I628 WeakPolarHBondContact O-CB 3.28Å; L624-I628 WeakPolarHBondContact O-CG1 3.05Å; L624-I628 PolarHBondContact O-N 2.6Å; T625-I628 PolarHBondContact O-N 3.45Å; I628-A630 VanDerWaalsContact C-N 3.32Å; I628-L632 WeakPolarHBondContact O-CD2 3.43Å; I628-L632 WeakPolarHBondContact O-CG 3.43Å
629	F	79.6	Confident	80	Confident	24 Å²	24	64 Å²	64	11%	0.105	32%	0.319	C	S	.	.	H	α-helix	trans	-78.4	-14.1	-178.7	-83.4	-103.8	0	0	0	114	T625 K627 L632 L640 Y796 G847	T625-F629 HydrophobicContact CG2-CD2 3.82Å; T625-F629 HydrophobicContact CG2-CE2 4.1Å; T625-F629 WeakPolarHBondContact O-CB 3.31Å; T625-F629 VanDerWaalsContact O-CD2 3.3Å; T625-F629 WeakPolarHBondContact O-CD2 3.24Å; T625-F629 PolarHBondContact O-N 3.13Å; K627-F629 PolarHBondContact O-N 2.84Å; F629-L632 HydrophobicContact CB-CD1 4.18Å; F629-L632 HydrophobicContact CD1-CD1 3.53Å; F629-L632 HydrophobicContact CE1-CD1 4.02Å; F629-L632 HydrophobicContact CG-CD1 3.95Å; F629-L640 HydrophobicContact CD1-CD1 4.42Å; F629-L640 HydrophobicContact CE1-CD1 3.73Å; F629-L640 HydrophobicContact CE1-CD2 4.14Å; F629-L640 HydrophobicContact CZ-CD1 4.29Å; F629-L640 HydrophobicContact CZ-CD2 4.1Å; F629-Y796 HydrophobicContact CD1-CE1 4.32Å; F629-Y796 AromaticContact CD1-CE2 3.85Å; F629-Y796 HydrophobicContact CD1-CE2 3.85Å; F629-Y796 AromaticContact CD1-CZ 3.73Å; F629-Y796 HydrophobicContact CE1-CE2 4.22Å; F629-G847 VanDerWaalsContact CE1-CA 3.47Å; F629-G847 WeakPolarHBondContact CE1-O 3.47Å; F629-G847 VanDerWaalsContact CZ-C 3.42Å; F629-G847 WeakPolarHBondContact CZ-O 3.12Å
630	A	75.8	Confident	80.5	Confident	74 Å²	74	59.6 Å²	59.6	61%	0.612	30%	0.299	S	S	*	.	H	α-helix	trans	-74.7	-37.3	174.6	0	0	0	0	0	112.2	R626 K627 I628	R626-A630 VanDerWaalsContact O-CB 3.32Å; R626-A630 WeakPolarHBondContact O-CB 2.98Å; R626-A630 PolarHBondContact O-N 2.8Å; K627-A630 PolarHBondContact O-N 3.42Å; I628-A630 VanDerWaalsContact C-N 3.32Å
631	D	75.4	Confident	81.3	Confident	140 Å²	140	54.1 Å²	54.1	75%	0.749	28%	0.276	S	S	*	.	S	Bend	trans	-105.6	32	-174	-67.6	-29	0	0	0	113.3	G633	D631-G633 PolarHBondContact O-N 3.08Å
632	L	83.3	Confident	82.2	Confident	28 Å²	28	56.8 Å²	56.8	15%	0.147	28%	0.284	C	S	.	.			trans	-73.1	120.7	179.9	-67	169.6	0	0	0	111.7	I628 F629 Q636 I637 L640 Y796	I628-L632 WeakPolarHBondContact O-CD2 3.43Å; I628-L632 WeakPolarHBondContact O-CG 3.43Å; F629-L632 HydrophobicContact CB-CD1 4.18Å; F629-L632 HydrophobicContact CD1-CD1 3.53Å; F629-L632 HydrophobicContact CE1-CD1 4.02Å; F629-L632 HydrophobicContact CG-CD1 3.95Å; L632-Q636 HydrophobicContact CB-CB 4.44Å; L632-Q636 HydrophobicContact CD2-CB 3.85Å; L632-Q636 HydrophobicContact CD2-CG 4.49Å; L632-I637 HydrophobicContact CB-CD1 4.35Å; L632-I637 HydrophobicContact CB-CG1 3.97Å; L632-L640 HydrophobicContact CD1-CD1 3.47Å; L632-L640 VanDerWaalsContact CD1-CD1 3.47Å; L632-L640 HydrophobicContact CD2-CD1 4.43Å; L632-Y796 HydrophobicContact CD1-CD1 4.15Å; L632-Y796 HydrophobicContact CD1-CE1 3.85Å
633	G	83.9	Confident	82.8	Confident	21 Å²	21	55.8 Å²	55.8	22%	0.216	28%	0.275	C	S	.	.			trans	-70.3	165.1	169.5	0	0	0	0	0	112.9	D631 W635 Q636 I637 E823	D631-G633 PolarHBondContact O-N 3.08Å; G633-W635 PolarHBondContact O-N 3.4Å; G633-W635 VanDerWaalsContact O-N 3.17Å; G633-Q636 PolarHBondContact O-N 3.04Å; G633-Q636 VanDerWaalsContact O-N 3.08Å; G633-I637 PolarHBondContact O-N 2.84Å; G633-E823 WeakPolarHBondContact CA-OE1 3.38Å
634	A	89	Confident	83.3	Confident	2 Å²	2	53 Å²	53	2%	0.017	27%	0.265	C	S	.	.	H	α-helix	trans	-57.7	-34.2	-177.5	0	0	0	0	0	113.1	A638 A822 E823 I828	A634-A638 WeakPolarHBondContact O-CB 3.37Å; A634-A638 PolarHBondContact O-N 3.32Å; A634-A822 HydrophobicContact CB-CB 4.1Å; A634-E823 HydrophobicContact CB-CG 4.34Å; A634-E823 WeakPolarHBondContact CB-OE1 3.21Å; A634-E823 PolarHBondContact N-OE1 3.08Å; A634-I828 HydrophobicContact CB-CG2 3.86Å
635	W	89.8	Confident	84	Confident	53 Å²	53	56 Å²	56	20%	0.201	28%	0.278	C	S	.	.	H	α-helix	trans	-69.5	-42.7	176.2	-179.2	-116	0	0	0	113.3	G633 I637 A638 Q639 P804 E805 A818 P819 A822	G633-W635 PolarHBondContact O-N 3.4Å; G633-W635 VanDerWaalsContact O-N 3.17Å; W635-I637 VanDerWaalsContact C-N 3.29Å; W635-I637 PolarHBondContact O-N 3.24Å; W635-A638 HydrophobicContact CE3-CB 4.37Å; W635-A638 WeakPolarHBondContact O-CB 3.31Å; W635-A638 PolarHBondContact O-N 3.26Å; W635-A638 VanDerWaalsContact O-N 3.17Å; W635-Q639 HydrophobicContact CZ2-CG 4.37Å; W635-Q639 WeakPolarHBondContact O-CG 3.48Å; W635-Q639 PolarHBondContact O-N 3.23Å; W635-P804 HydrophobicContact CE3-CB 4.18Å; W635-P804 HydrophobicContact CE3-CG 4.47Å; W635-P804 HydrophobicContact CZ3-CB 3.92Å; W635-P804 HydrophobicContact CZ3-CG 4.27Å; W635-E805 HydrophobicContact CH2-CG 4.22Å; W635-E805 VanDerWaalsContact CH2-OE1 3.27Å; W635-E805 WeakPolarHBondContact CH2-OE1 3.3Å; W635-A818 HydrophobicContact CE3-CB 4.05Å; W635-A818 HydrophobicContact CH2-CB 3.64Å; W635-A818 HydrophobicContact CZ2-CB 4.22Å; W635-A818 HydrophobicContact CZ3-CB 3.56Å; W635-P819 HydrophobicContact CB-CB 4.04Å; W635-P819 HydrophobicContact CD2-CG 4.2Å; W635-P819 HydrophobicContact CG-CB 3.96Å; W635-P819 HydrophobicContact CG-CG 3.91Å; W635-A822 HydrophobicContact CB-CB 4.15Å; W635-A822 HydrophobicContact CE3-CB 4.2Å
636	Q	88.3	Confident	84.9	Confident	87 Å²	87	56 Å²	56	41%	0.407	28%	0.278	S	S	.	.	H	α-helix	trans	-65.6	-37.9	177.1	-66.8	166.8	-43	0	0	110.3	L632 G633 Q639 L640	L632-Q636 HydrophobicContact CB-CB 4.44Å; L632-Q636 HydrophobicContact CD2-CB 3.85Å; L632-Q636 HydrophobicContact CD2-CG 4.49Å; G633-Q636 PolarHBondContact O-N 3.04Å; G633-Q636 VanDerWaalsContact O-N 3.08Å; Q636-Q639 WeakPolarHBondContact O-CB 3.49Å; Q636-Q639 PolarHBondContact O-N 3.31Å; Q636-L640 WeakPolarHBondContact O-CG 3.45Å; Q636-L640 PolarHBondContact O-N 3.35Å
637	I	90	Very high	85.6	Confident	10 Å²	10	48.6 Å²	48.6	5%	0.051	25%	0.25	C	S	.	.	H	α-helix	trans	-62.3	-43.7	171.5	-67.4	171.3	0	0	0	111	L632 G633 W635 Q639 L640 A641 Y796 T798 I828	L632-I637 HydrophobicContact CB-CD1 4.35Å; L632-I637 HydrophobicContact CB-CG1 3.97Å; G633-I637 PolarHBondContact O-N 2.84Å; W635-I637 VanDerWaalsContact C-N 3.29Å; W635-I637 PolarHBondContact O-N 3.24Å; I637-Q639 VanDerWaalsContact C-N 3.28Å; I637-Q639 PolarHBondContact O-N 3.46Å; I637-L640 PolarHBondContact O-N 2.65Å; I637-A641 WeakPolarHBondContact O-CB 3.21Å; I637-A641 PolarHBondContact O-N 3Å; I637-Y796 HydrophobicContact CG1-CD1 4.24Å; I637-T798 HydrophobicContact CG2-CG2 4.13Å; I637-I828 HydrophobicContact CB-CG2 3.89Å; I637-I828 HydrophobicContact CD1-CB 4.26Å; I637-I828 HydrophobicContact CD1-CD1 4.23Å; I637-I828 HydrophobicContact CD1-CG2 3.82Å; I637-I828 HydrophobicContact CG1-CG2 4.45Å; I637-I828 HydrophobicContact CG2-CG2 3.74Å
638	A	89.6	Confident	86.6	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.008	23%	0.227	C	C	.	.	H	α-helix	trans	-60.5	-37.2	174.8	0	0	0	0	0	112.6	A634 W635 R642 T798 I827	A634-A638 WeakPolarHBondContact O-CB 3.37Å; A634-A638 PolarHBondContact O-N 3.32Å; W635-A638 HydrophobicContact CE3-CB 4.37Å; W635-A638 WeakPolarHBondContact O-CB 3.31Å; W635-A638 PolarHBondContact O-N 3.26Å; W635-A638 VanDerWaalsContact O-N 3.17Å; A638-R642 WeakPolarHBondContact O-CD 3.28Å; A638-R642 VanDerWaalsContact O-CG 3.31Å; A638-R642 WeakPolarHBondContact O-CG 3.37Å; A638-R642 PolarHBondContact O-N 2.92Å; A638-T798 HydrophobicContact CB-CG2 3.99Å; A638-I827 HydrophobicContact CB-CD1 4.26Å
639	Q	89.5	Confident	87.6	Confident	87 Å²	87	40 Å²	40	41%	0.407	21%	0.21	S	C	.	.	H	α-helix	trans	-67.6	-42.6	173.7	-68.7	178.3	-44.3	0	0	112	W635 Q636 I637 A641 R642 H643	W635-Q639 HydrophobicContact CZ2-CG 4.37Å; W635-Q639 WeakPolarHBondContact O-CG 3.48Å; W635-Q639 PolarHBondContact O-N 3.23Å; Q636-Q639 WeakPolarHBondContact O-CB 3.49Å; Q636-Q639 PolarHBondContact O-N 3.31Å; I637-Q639 VanDerWaalsContact C-N 3.28Å; I637-Q639 PolarHBondContact O-N 3.46Å; Q639-A641 VanDerWaalsContact C-N 3.35Å; Q639-A641 PolarHBondContact O-N 3.05Å; Q639-R642 CarbonylContact O-C 3.59Å; Q639-R642 PolarHBondContact O-N 3.34Å; Q639-R642 VanDerWaalsContact O-N 3.12Å; Q639-H643 PolarHBondContact O-N 3.37Å
640	L	89.5	Confident	88.3	Confident	23 Å²	23	41.1 Å²	41.1	12%	0.12	22%	0.216	C	C	.	.	H	α-helix	trans	-64	-37.2	175.5	-75.1	169	0	0	0	112.7	F629 L632 Q636 I637 R642 H643 Y796	F629-L640 HydrophobicContact CD1-CD1 4.42Å; F629-L640 HydrophobicContact CE1-CD1 3.73Å; F629-L640 HydrophobicContact CE1-CD2 4.14Å; F629-L640 HydrophobicContact CZ-CD1 4.29Å; F629-L640 HydrophobicContact CZ-CD2 4.1Å; L632-L640 HydrophobicContact CD1-CD1 3.47Å; L632-L640 VanDerWaalsContact CD1-CD1 3.47Å; L632-L640 HydrophobicContact CD2-CD1 4.43Å; Q636-L640 WeakPolarHBondContact O-CG 3.45Å; Q636-L640 PolarHBondContact O-N 3.35Å; I637-L640 PolarHBondContact O-N 2.65Å; L640-R642 PolarHBondContact O-N 2.96Å; L640-H643 VanDerWaalsContact O-CB 3.28Å; L640-H643 WeakPolarHBondContact O-CB 3.45Å; L640-H643 PolarHBondContact O-N 3.13Å; L640-Y796 HydrophobicContact CD1-CD1 4.49Å; L640-Y796 HydrophobicContact CD1-CG 4.33Å
641	A	91.3	Very high	89.2	Confident	2 Å²	2	38.7 Å²	38.7	2%	0.017	19%	0.193	C	C	.	.	H	α-helix	trans	-62.1	-26.5	174.4	0	0	0	0	0	112.3	I637 Q639 R646 Y796 T798	I637-A641 WeakPolarHBondContact O-CB 3.21Å; I637-A641 PolarHBondContact O-N 3Å; Q639-A641 VanDerWaalsContact C-N 3.35Å; Q639-A641 PolarHBondContact O-N 3.05Å; A641-R646 WeakPolarHBondContact O-CD 3.43Å; A641-Y796 WeakPolarHBondContact CA-O 3.5Å; A641-Y796 WeakPolarHBondContact CB-O 3.28Å; A641-Y796 PolarHBondContact N-O 3.14Å; A641-T798 HydrophobicContact CB-CG2 4.16Å
642	R	89.9	Confident	90.2	Very high	68 Å²	68	32 Å²	32	26%	0.257	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	4.5	-179.8	-65.8	168.4	178.6	171.5	-4.6	113.5	A638 Q639 L640 E776 E805	A638-R642 WeakPolarHBondContact O-CD 3.28Å; A638-R642 VanDerWaalsContact O-CG 3.31Å; A638-R642 WeakPolarHBondContact O-CG 3.37Å; A638-R642 PolarHBondContact O-N 2.92Å; Q639-R642 CarbonylContact O-C 3.59Å; Q639-R642 PolarHBondContact O-N 3.34Å; Q639-R642 VanDerWaalsContact O-N 3.12Å; L640-R642 PolarHBondContact O-N 2.96Å; R642-E776 IonicContact CZ-OE1 2.72Å; R642-E776 VanDerWaalsContact CZ-OE1 3.3Å; R642-E776 IonicContact NE-OE1 3.4Å; R642-E776 PolarHBondContact NE-OE1 2.89Å; R642-E776 IonicContact NE-OE2 3.71Å; R642-E776 PolarHBondContact NE-OE2 2.74Å; R642-E776 IonicContact NH2-OE1 3.65Å; R642-E776 PolarHBondContact NH2-OE1 3.48Å; R642-E805 IonicContact CZ-OE1 3.76Å; R642-E805 IonicContact CZ-OE2 3.88Å; R642-E805 IonicContact NH1-OE1 3.5Å; R642-E805 PolarHBondContact NH1-OE1 3.16Å; R642-E805 IonicContact NH1-OE2 3.12Å; R642-E805 PolarHBondContact NH1-OE2 3.42Å; R642-E805 IonicContact NH2-OE1 2.85Å; R642-E805 IonicContact NH2-OE2 2.65Å; R642-E805 PolarHBondContact NH2-OE2 3.49Å; R642-E805 VanDerWaalsContact NH2-OE2 3.08Å
643	H	88.6	Confident	90.7	Very high	48 Å²	48	31 Å²	31	22%	0.222	15%	0.152	C	C	.	.			trans	-58.2	128.2	-175.4	-172.2	-85.4	0	0	0	111.4	Q639 L640 Q645 R646 H850	Q639-H643 PolarHBondContact O-N 3.37Å; L640-H643 VanDerWaalsContact O-CB 3.28Å; L640-H643 WeakPolarHBondContact O-CB 3.45Å; L640-H643 PolarHBondContact O-N 3.13Å; H643-Q645 PolarHBondContact ND1-N 3.16Å; H643-Q645 VanDerWaalsContact ND1-N 3.14Å; H643-Q645 PolarHBondContact O-N 2.92Å; H643-Q645 VanDerWaalsContact O-N 3.09Å; H643-R646 HydrophobicContact CB-CB 4.37Å; H643-R646 WeakPolarHBondContact O-CB 3.39Å; H643-R646 PolarHBondContact O-N 3.1Å; H643-H850 AromaticContact CE1-CD2 3.63Å; H643-H850 AromaticContact CE1-CG 3.8Å; H643-H850 AromaticContact ND1-CD2 3.88Å; H643-H850 AromaticContact ND1-CG 3.55Å; H643-H850 AromaticContact NE2-CD2 4Å
644	P	84.9	Confident	91.2	Very high	40 Å²	40	38.7 Å²	38.7	26%	0.26	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-28.4	-174.1	-27.2	34.3	0	0	0	115.2	R696	P644-R696 PolarHBondContact O-NH1 2.83Å
645	Q	87.6	Confident	91.4	Very high	114 Å²	114	41.6 Å²	41.6	53%	0.533	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	0.6	177.5	-58.8	-61.8	-16.4	0	0	114.2	H643 H850	H643-Q645 PolarHBondContact ND1-N 3.16Å; H643-Q645 VanDerWaalsContact ND1-N 3.14Å; H643-Q645 PolarHBondContact O-N 2.92Å; H643-Q645 VanDerWaalsContact O-N 3.09Å; Q645-H850 HydrophobicContact CB-CB 4.07Å
646	R	91.5	Very high	91.6	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.008	18%	0.182	C	C	.	.	S	Bend	trans	-58.5	136.4	175.3	-165.4	168.5	-179.3	88.4	7.9	109.4	A641 H643 Y648 R696 I774 E844	A641-R646 WeakPolarHBondContact O-CD 3.43Å; H643-R646 HydrophobicContact CB-CB 4.37Å; H643-R646 WeakPolarHBondContact O-CB 3.39Å; H643-R646 PolarHBondContact O-N 3.1Å; R646-Y648 PolarHBondContact O-N 3.49Å; R646-R696 PolarHBondContact O-NH2 2.84Å; R646-I774 VanDerWaalsContact CZ-O 3.3Å; R646-I774 PolarHBondContact NE-O 2.7Å; R646-I774 PolarHBondContact NH2-O 2.86Å; R646-E844 IonicContact CZ-OE1 2.7Å; R646-E844 IonicContact CZ-OE2 3.89Å; R646-E844 IonicContact NH1-OE1 3.97Å; R646-E844 PolarHBondContact NH1-OE1 3.19Å; R646-E844 IonicContact NH1-OE2 3.67Å; R646-E844 PolarHBondContact NH1-OE2 3.04Å; R646-E844 IonicContact NH2-OE1 2.76Å; R646-E844 PolarHBondContact NH2-OE1 3.39Å; R646-E844 IonicContact NH2-OE2 3.63Å; R646-E844 PolarHBondContact NH2-OE2 2.91Å
647	P	93	Very high	92	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.013	16%	0.164	C	C	.	.			trans	-64.7	132.7	-179.6	-19.8	31.8	0	0	0	110.7	D651 Y652 A849 P853	P647-D651 HydrophobicContact CB-CB 3.88Å; P647-Y652 HydrophobicContact CB-CD2 4.42Å; P647-Y652 HydrophobicContact CB-CE1 4.1Å; P647-Y652 HydrophobicContact CB-CE2 3.84Å; P647-Y652 VanDerWaalsContact O-CE2 3.3Å; P647-Y652 WeakPolarHBondContact O-CE2 3.5Å; P647-A849 HydrophobicContact CG-CB 4.49Å; P647-P853 HydrophobicContact CG-CB 3.79Å; P647-P853 HydrophobicContact CG-CG 4.06Å
648	Y	93.8	Very high	92.1	Very high	14 Å²	14	39.3 Å²	39.3	6%	0.055	19%	0.185	C	C	.	.			trans	-93.2	178.2	174.8	-58.7	-43.2	0	0	0	110.5	R646 L650 D651 Y652 Q693 K694 R696 D736	R646-Y648 PolarHBondContact O-N 3.49Å; Y648-L650 VanDerWaalsContact C-N 3.32Å; Y648-L650 PolarHBondContact O-N 3.45Å; Y648-D651 PolarHBondContact N-OD2 2.97Å; Y648-D651 WeakPolarHBondContact O-CB 3.27Å; Y648-D651 PolarHBondContact O-N 3.2Å; Y648-Y652 WeakPolarHBondContact O-CD2 3.42Å; Y648-Y652 PolarHBondContact O-N 2.93Å; Y648-Q693 VanDerWaalsContact CB-OE1 3.3Å; Y648-K694 HydrophobicContact CE1-CB 4.04Å; Y648-K694 HydrophobicContact CE1-CD 4.01Å; Y648-K694 HydrophobicContact CE1-CG 4.44Å; Y648-K694 HydrophobicContact CE2-CB 4.34Å; Y648-R696 HydrophobicContact CD2-CG 4.2Å; Y648-R696 HydrophobicContact CE2-CG 3.75Å; Y648-D736 WeakPolarHBondContact CD1-OD2 3.23Å; Y648-D736 WeakPolarHBondContact CE1-OD2 3.43Å
649	T	95.5	Very high	92.3	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.006	21%	0.214	C	C	.	.	H	α-helix	trans	-47.6	-51	-179.5	-64.3	0	0	0	0	113.1	D651 Y652 V653 V676 H692 F734	T649-D651 VanDerWaalsContact C-N 3.26Å; T649-D651 PolarHBondContact O-N 3.49Å; T649-Y652 PolarHBondContact O-N 3.43Å; T649-V653 HydrophobicContact CG2-CG2 4.18Å; T649-V653 WeakPolarHBondContact O-CG2 3.35Å; T649-V653 PolarHBondContact O-N 3.26Å; T649-V676 HydrophobicContact CG2-CG2 3.58Å; T649-H692 WeakPolarHBondContact CB-O 3.45Å; T649-H692 PolarHBondContact OG1-O 3.36Å; T649-F734 HydrophobicContact CG2-CB 4.27Å; T649-F734 HydrophobicContact CG2-CD2 3.82Å; T649-F734 HydrophobicContact CG2-CG 4.48Å; T649-F734 WeakPolarHBondContact OG1-CB 3.48Å
650	L	94.7	Very high	92.6	Very high	46 Å²	46	44.2 Å²	44.2	24%	0.241	21%	0.207	C	C	.	.	H	α-helix	trans	-66.7	-25.5	-176.9	-70.7	175.4	0	0	0	113.9	Y648 R654 F660 V676 Q693	Y648-L650 VanDerWaalsContact C-N 3.32Å; Y648-L650 PolarHBondContact O-N 3.45Å; L650-R654 WeakPolarHBondContact O-CB 3.32Å; L650-R654 PolarHBondContact O-N 2.66Å; L650-R654 VanDerWaalsContact O-N 3.08Å; L650-F660 HydrophobicContact CD2-CE1 4.03Å; L650-V676 HydrophobicContact CD1-CG1 4.28Å; L650-V676 HydrophobicContact CD2-CB 4.39Å; L650-V676 HydrophobicContact CD2-CG1 4.5Å; L650-V676 HydrophobicContact CD2-CG2 4.22Å; L650-V676 HydrophobicContact CG-CG1 4.42Å; L650-V676 HydrophobicContact CG-CG2 4.23Å; L650-Q693 HydrophobicContact CD1-CG 4.26Å; L650-Q693 VanDerWaalsContact N-OE1 3.12Å
651	D	94.5	Very high	92.9	Very high	24 Å²	24	48.5 Å²	48.5	13%	0.128	23%	0.23	C	C	.	.	H	α-helix	trans	-69.8	-43.6	174.9	-59.3	-63.8	0	0	0	110.4	P647 Y648 T649 R654 L655 R696	P647-D651 HydrophobicContact CB-CB 3.88Å; Y648-D651 PolarHBondContact N-OD2 2.97Å; Y648-D651 WeakPolarHBondContact O-CB 3.27Å; Y648-D651 PolarHBondContact O-N 3.2Å; T649-D651 VanDerWaalsContact C-N 3.26Å; T649-D651 PolarHBondContact O-N 3.49Å; D651-R654 PolarHBondContact O-N 3Å; D651-R654 IonicContact OD1-NH2 2.73Å; D651-L655 WeakPolarHBondContact O-CB 3.37Å; D651-L655 VanDerWaalsContact O-CG 3.26Å; D651-L655 WeakPolarHBondContact O-CG 3.5Å; D651-L655 PolarHBondContact O-N 2.89Å; D651-L655 VanDerWaalsContact O-N 3.08Å; D651-R696 IonicContact OD1-NH2 3.29Å; D651-R696 IonicContact OD2-CZ 2.74Å; D651-R696 IonicContact OD2-NE 3.01Å; D651-R696 IonicContact OD2-NH2 3.36Å; D651-R696 PolarHBondContact OD2-NH2 2.74Å
652	Y	95.3	Very high	93.1	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-66.4	-40	174.4	-67.4	-62.4	0	0	0	112.4	P647 Y648 T649 R654 L655 A656 I774 L794 M856 A857 L860	P647-Y652 HydrophobicContact CB-CD2 4.42Å; P647-Y652 HydrophobicContact CB-CE1 4.1Å; P647-Y652 HydrophobicContact CB-CE2 3.84Å; P647-Y652 VanDerWaalsContact O-CE2 3.3Å; P647-Y652 WeakPolarHBondContact O-CE2 3.5Å; Y648-Y652 WeakPolarHBondContact O-CD2 3.42Å; Y648-Y652 PolarHBondContact O-N 2.93Å; T649-Y652 PolarHBondContact O-N 3.43Å; Y652-R654 VanDerWaalsContact C-N 3.3Å; Y652-R654 PolarHBondContact O-N 3.36Å; Y652-L655 PolarHBondContact O-N 2.83Å; Y652-A656 WeakPolarHBondContact O-CB 3.32Å; Y652-A656 PolarHBondContact O-N 2.68Å; Y652-I774 HydrophobicContact CD2-CD1 3.85Å; Y652-I774 HydrophobicContact CD2-CG2 4.35Å; Y652-I774 HydrophobicContact CE2-CB 3.9Å; Y652-I774 HydrophobicContact CE2-CD1 3.75Å; Y652-I774 HydrophobicContact CE2-CG1 4.39Å; Y652-I774 HydrophobicContact CE2-CG2 3.96Å; Y652-L794 WeakPolarHBondContact OH-CD1 3.46Å; Y652-M856 HydrophobicContact CE1-CB 4.46Å; Y652-M856 HydrophobicContact CE1-CG 3.86Å; Y652-M856 WeakPolarHBondContact OH-CG 3.4Å; Y652-A857 HydrophobicContact CD1-CB 4.14Å; Y652-L860 HydrophobicContact CD1-CD2 3.44Å; Y652-L860 VanDerWaalsContact CD1-CD2 3.44Å; Y652-L860 HydrophobicContact CD2-CD2 4.31Å; Y652-L860 HydrophobicContact CE1-CD2 3.95Å; Y652-L860 HydrophobicContact CG-CD2 3.65Å
653	V	95	Very high	93.3	Very high	6 Å²	6	51.6 Å²	51.6	4%	0.036	25%	0.248	C	C	.	.	H	α-helix	trans	-55.9	-48.2	174.4	172.2	0	0	0	0	110.3	T649 L655 F657 F660 I689	T649-V653 HydrophobicContact CG2-CG2 4.18Å; T649-V653 WeakPolarHBondContact O-CG2 3.35Å; T649-V653 PolarHBondContact O-N 3.26Å; V653-L655 VanDerWaalsContact C-N 3.33Å; V653-L655 PolarHBondContact O-N 3Å; V653-F657 WeakPolarHBondContact O-CB 3.06Å; V653-F657 PolarHBondContact O-N 2.92Å; V653-F657 VanDerWaalsContact O-N 3.17Å; V653-F657 VanDerWaalsContact O-O 3.14Å; V653-F660 HydrophobicContact CG1-CB 3.6Å; V653-F660 HydrophobicContact CG1-CD1 3.68Å; V653-F660 HydrophobicContact CG1-CD2 3.82Å; V653-F660 HydrophobicContact CG1-CE1 4.27Å; V653-F660 HydrophobicContact CG1-CE2 4.39Å; V653-F660 HydrophobicContact CG1-CG 3.41Å; V653-F660 VanDerWaalsContact CG1-CG 3.41Å; V653-I689 HydrophobicContact CG2-CD1 3.92Å; V653-I689 HydrophobicContact CG2-CG2 4.01Å
654	R	94.1	Very high	93.5	Very high	182 Å²	182	52.1 Å²	52.1	69%	0.687	26%	0.261	S	S	*	.	H	α-helix	trans	-65.3	-33.6	179.4	-174	-178.1	65.6	-165.4	-5.6	113.5	L650 D651 Y652	L650-R654 WeakPolarHBondContact O-CB 3.32Å; L650-R654 PolarHBondContact O-N 2.66Å; L650-R654 VanDerWaalsContact O-N 3.08Å; D651-R654 PolarHBondContact O-N 3Å; D651-R654 IonicContact OD1-NH2 2.73Å; Y652-R654 VanDerWaalsContact C-N 3.3Å; Y652-R654 PolarHBondContact O-N 3.36Å
655	L	93.9	Very high	93.8	Very high	64 Å²	64	50.9 Å²	50.9	34%	0.335	26%	0.255	S	S	.	.	H	α-helix	trans	-92.9	-27.1	-172.6	-69.2	172.8	0	0	0	114	D651 Y652 V653 P853 E854 A857	D651-L655 WeakPolarHBondContact O-CB 3.37Å; D651-L655 VanDerWaalsContact O-CG 3.26Å; D651-L655 WeakPolarHBondContact O-CG 3.5Å; D651-L655 PolarHBondContact O-N 2.89Å; D651-L655 VanDerWaalsContact O-N 3.08Å; Y652-L655 PolarHBondContact O-N 2.83Å; V653-L655 VanDerWaalsContact C-N 3.33Å; V653-L655 PolarHBondContact O-N 3Å; L655-P853 HydrophobicContact CD1-CB 4.07Å; L655-E854 HydrophobicContact CD2-CG 4.2Å; L655-A857 HydrophobicContact CB-CB 3.46Å; L655-A857 VanDerWaalsContact CB-CB 3.46Å; L655-A857 HydrophobicContact CD1-CB 3.98Å; L655-A857 HydrophobicContact CG-CB 4.37Å
656	A	93.4	Very high	94	Very high	3 Å²	3	46.2 Å²	46.2	3%	0.025	23%	0.233	C	C	.	.	H	α-helix	trans	-114.9	-16.1	-172.2	0	0	0	0	0	114.5	Y652 K861	Y652-A656 WeakPolarHBondContact O-CB 3.32Å; Y652-A656 PolarHBondContact O-N 2.68Å; A656-K861 HydrophobicContact CB-CB 4.12Å
657	F	95.6	Very high	94	Very high	10 Å²	10	55.6 Å²	55.6	4%	0.044	27%	0.269	C	S	.	.			trans	-126.8	155.5	-173.5	-56.8	-99.4	0	0	0	111.8	V653 A680 R681 L682 V687 I689 I732 F734 L864	V653-F657 WeakPolarHBondContact O-CB 3.06Å; V653-F657 PolarHBondContact O-N 2.92Å; V653-F657 VanDerWaalsContact O-N 3.17Å; V653-F657 VanDerWaalsContact O-O 3.14Å; F657-A680 HydrophobicContact CB-CB 4.09Å; F657-A680 HydrophobicContact CD1-CB 4.28Å; F657-R681 WeakPolarHBondContact CA-O 3.44Å; F657-L682 HydrophobicContact CD1-CB 3.88Å; F657-L682 HydrophobicContact CD1-CD1 3.94Å; F657-L682 HydrophobicContact CD1-CG 4.43Å; F657-L682 HydrophobicContact CE1-CB 3.94Å; F657-L682 HydrophobicContact CE1-CD1 3.81Å; F657-L682 HydrophobicContact CE1-CD2 4.21Å; F657-L682 HydrophobicContact CE1-CG 4.21Å; F657-L682 HydrophobicContact CZ-CD1 4.38Å; F657-V687 HydrophobicContact CD1-CG2 4.07Å; F657-V687 HydrophobicContact CE1-CG2 4.04Å; F657-I689 HydrophobicContact CB-CD1 4.25Å; F657-I689 HydrophobicContact CD1-CD1 3.52Å; F657-I689 HydrophobicContact CD1-CG1 4.42Å; F657-I689 HydrophobicContact CD2-CD1 3.9Å; F657-I689 HydrophobicContact CE1-CD1 3.67Å; F657-I689 HydrophobicContact CE1-CG1 4.22Å; F657-I689 HydrophobicContact CE2-CD1 4.03Å; F657-I689 HydrophobicContact CG-CD1 3.62Å; F657-I689 HydrophobicContact CZ-CD1 3.91Å; F657-I732 HydrophobicContact CE1-CD1 3.84Å; F657-I732 HydrophobicContact CZ-CD1 4.15Å; F657-I732 HydrophobicContact CZ-CG2 4.46Å; F657-F734 HydrophobicContact CE2-CE2 4.04Å; F657-F734 AromaticContact CE2-CZ 3.88Å; F657-F734 HydrophobicContact CE2-CZ 3.88Å; F657-F734 HydrophobicContact CZ-CE2 4.22Å; F657-F734 AromaticContact CZ-CZ 3.95Å; F657-F734 HydrophobicContact CZ-CZ 3.95Å; F657-L864 HydrophobicContact CE2-CD1 4.46Å; F657-L864 HydrophobicContact CZ-CD1 3.79Å
658	D	93.2	Very high	93.7	Very high	89 Å²	89	59.3 Å²	59.3	48%	0.476	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	159.5	178.4	-52.1	-59.5	0	0	0	110.2	F660 R681	D658-F660 PolarHBondContact O-N 2.88Å; D658-R681 HydrophobicContact CB-CB 4.38Å; D658-R681 PolarHBondContact N-O 3.28Å; D658-R681 PolarHBondContact O-N 3.09Å
659	E	93.8	Very high	93.5	Very high	135 Å²	135	65.6 Å²	65.6	63%	0.631	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	51.8	48.5	171.6	-58.9	-179.2	-179.1	0	0	115.1	D661 R681	E659-D661 PolarHBondContact O-N 2.92Å; E659-R681 HydrophobicContact CB-CG 4.49Å; E659-R681 WeakPolarHBondContact OE2-CD 3.16Å; E659-R681 IonicContact OE2-CZ 3.42Å; E659-R681 IonicContact OE2-NE 2.81Å; E659-R681 PolarHBondContact OE2-NE 3.21Å
660	F	95.7	Very high	93.4	Very high	56 Å²	56	67.3 Å²	67.3	25%	0.246	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	116.2	179.4	179.7	-114.1	0	0	0	113.3	L650 V653 D658 E662 I679 A680 I689	L650-F660 HydrophobicContact CD2-CE1 4.03Å; V653-F660 HydrophobicContact CG1-CB 3.6Å; V653-F660 HydrophobicContact CG1-CD1 3.68Å; V653-F660 HydrophobicContact CG1-CD2 3.82Å; V653-F660 HydrophobicContact CG1-CE1 4.27Å; V653-F660 HydrophobicContact CG1-CE2 4.39Å; V653-F660 HydrophobicContact CG1-CG 3.41Å; V653-F660 VanDerWaalsContact CG1-CG 3.41Å; D658-F660 PolarHBondContact O-N 2.88Å; F660-E662 HydrophobicContact CE1-CB 3.83Å; F660-E662 HydrophobicContact CE1-CG 4.34Å; F660-E662 HydrophobicContact CZ-CB 4.09Å; F660-E662 HydrophobicContact CZ-CG 4.32Å; F660-I679 CarbonylContact C-O 3.59Å; F660-I679 WeakPolarHBondContact CA-O 3.41Å; F660-A680 HydrophobicContact CB-CB 4.39Å; F660-A680 HydrophobicContact CD2-CB 4.08Å; F660-I689 HydrophobicContact CE2-CB 4.42Å
661	D	95.5	Very high	93.3	Very high	113 Å²	113	67 Å²	67	60%	0.604	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	105	173.3	-73.2	-42.7	0	0	0	111.1	E659 G678 I679	E659-D661 PolarHBondContact O-N 2.92Å; D661-G678 CarbonylContact O-C 3.6Å; D661-G678 WeakPolarHBondContact O-CA 3.37Å; D661-I679 PolarHBondContact N-O 3.37Å; D661-I679 PolarHBondContact O-N 3.46Å; D661-I679 VanDerWaalsContact O-N 3.11Å
662	E	95.5	Very high	93.3	Very high	89 Å²	89	66.6 Å²	66.6	42%	0.416	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	133.1	179.7	-167.8	-178.1	164	0	0	112.3	F660	F660-E662 HydrophobicContact CE1-CB 3.83Å; F660-E662 HydrophobicContact CE1-CG 4.34Å; F660-E662 HydrophobicContact CZ-CB 4.09Å; F660-E662 HydrophobicContact CZ-CG 4.32Å
663	L	95.2	Very high	93.3	Very high	46 Å²	46	70.1 Å²	70.1	24%	0.241	35%	0.351	C	S	.	.			trans	-111.1	107.1	-178.9	-66.4	176.6	0	0	0	111.4	G677 I679 M688 K716 R719 L720 M723	L663-G677 PolarHBondContact N-O 3.13Å; L663-I679 HydrophobicContact CD1-CG1 4.26Å; L663-M688 HydrophobicContact CD1-CE 4.37Å; L663-K716 WeakPolarHBondContact O-CE 3.43Å; L663-R719 PolarHBondContact O-NH2 3.45Å; L663-L720 HydrophobicContact CB-CD2 3.61Å; L663-L720 HydrophobicContact CD1-CD2 3.58Å; L663-L720 HydrophobicContact CG-CD2 4.25Å; L663-M723 HydrophobicContact CD1-SD 3.85Å
664	A	92.7	Very high	93.3	Very high	59 Å²	59	69.8 Å²	69.8	49%	0.488	35%	0.349	S	S	.	.			trans	-82.1	151.7	-176.6	0	0	0	0	0	114.5	D671 R719	A664-D671 WeakPolarHBondContact CB-OD2 3.48Å; A664-R719 PolarHBondContact O-NH2 3.31Å
665	G	90.6	Very high	93.3	Very high	14 Å²	14	61.1 Å²	61.1	14%	0.144	32%	0.316	C	S	.	.			trans	84	150.1	163.4	0	0	0	0	0	116.1	D671 R719	G665-D671 VanDerWaalsContact N-CG 3.27Å; G665-D671 PolarHBondContact N-OD1 3.35Å; G665-R719 PolarHBondContact O-NE 2.82Å; G665-R719 VanDerWaalsContact O-NE 3.13Å; G665-R719 PolarHBondContact O-NH2 3.1Å
666	D	92.2	Very high	93.4	Very high	15 Å²	15	58.2 Å²	58.2	8%	0.08	30%	0.301	C	S	.	.			trans	-87.9	-12.3	172.6	74.1	-16.4	0	0	0	113.8	A668 Y669 A670 E712 R715 K716	D666-A668 VanDerWaalsContact C-N 3.26Å; D666-A668 PolarHBondContact OD1-N 2.92Å; D666-Y669 PolarHBondContact OD1-N 3.39Å; D666-Y669 PolarHBondContact OD2-N 2.96Å; D666-A670 PolarHBondContact N-O 3.34Å; D666-A670 PolarHBondContact OD1-N 2.99Å; D666-A670 VanDerWaalsContact OD1-O 3.07Å; D666-E712 HydrophobicContact CB-CB 4.4Å; D666-E712 WeakPolarHBondContact CB-O 3.04Å; D666-E712 WeakPolarHBondContact OD2-CB 3.41Å; D666-R715 HydrophobicContact CB-CB 3.71Å; D666-K716 HydrophobicContact CB-CB 4.3Å
667	R	89.8	Confident	93.6	Very high	199 Å²	199	58 Å²	58	75%	0.751	30%	0.3	S	S	*	.	S	Bend	trans	66.1	18.8	-171.9	-54.2	-179.6	170.1	169.9	-2.2	114.7
668	A	88.1	Confident	93.6	Very high	81 Å²	81	57.6 Å²	57.6	67%	0.669	30%	0.297	S	S	*	.	S	Bend	trans	-128.1	-47.5	178.1	0	0	0	0	0	112.7	D666	D666-A668 VanDerWaalsContact C-N 3.26Å; D666-A668 PolarHBondContact OD1-N 2.92Å
669	Y	89.6	Confident	93.8	Very high	146 Å²	146	56 Å²	56	57%	0.573	29%	0.288	S	S	*	.	S	Bend	trans	-129.9	-58.2	-174.6	-177.2	-104.5	0	0	0	112.6	D666 E712 R749	D666-Y669 PolarHBondContact OD1-N 3.39Å; D666-Y669 PolarHBondContact OD2-N 2.96Å; Y669-E712 HydrophobicContact CD1-CG 4.44Å; Y669-R749 VanDerWaalsContact CE1-CD 3.49Å
670	A	92.1	Very high	94	Very high	37 Å²	37	49.6 Å²	49.6	31%	0.306	26%	0.259	S	S	.	.			trans	-158.6	175.1	-171.8	0	0	0	0	0	112.7	D666 E712	D666-A670 PolarHBondContact N-O 3.34Å; D666-A670 PolarHBondContact OD1-N 2.99Å; D666-A670 VanDerWaalsContact OD1-O 3.07Å; A670-E712 HydrophobicContact CB-CG 4.28Å
671	D	94.2	Very high	94	Very high	39 Å²	39	51.5 Å²	51.5	21%	0.209	26%	0.264	C	S	.	.			trans	-105.1	103	167.9	-178.8	39.5	0	0	0	110	A664 G665 K673 K716	A664-D671 WeakPolarHBondContact CB-OD2 3.48Å; G665-D671 VanDerWaalsContact N-CG 3.27Å; G665-D671 PolarHBondContact N-OD1 3.35Å; D671-K673 PolarHBondContact O-N 2.93Å; D671-K673 VanDerWaalsContact OD2-CE 3.31Å; D671-K673 WeakPolarHBondContact OD2-CE 3.22Å; D671-K673 IonicContact OD2-NZ 2.74Å; D671-K673 PolarHBondContact OD2-NZ 2.81Å; D671-K716 WeakPolarHBondContact OD1-CD 3.5Å; D671-K716 WeakPolarHBondContact OD1-CE 3.31Å; D671-K716 IonicContact OD1-NZ 2.78Å; D671-K716 PolarHBondContact OD1-NZ 2.86Å
672	D	94	Very high	93.9	Very high	15 Å²	15	46.1 Å²	46.1	8%	0.08	24%	0.236	C	C	.	.			trans	-72.2	123.6	174.2	-170.8	-5.2	0	0	0	110.8	A674 I675 P709 A710 E712	D672-A674 VanDerWaalsContact C-N 3.32Å; D672-A674 VanDerWaalsContact OD1-CB 3.25Å; D672-A674 WeakPolarHBondContact OD1-CB 3.42Å; D672-A674 PolarHBondContact OD1-N 2.81Å; D672-I675 VanDerWaalsContact O-O 3.12Å; D672-P709 VanDerWaalsContact OD2-CA 3.23Å; D672-P709 WeakPolarHBondContact OD2-CA 3.4Å; D672-A710 PolarHBondContact OD2-N 3.28Å; D672-E712 HydrophobicContact CB-CG 3.87Å
673	K	94.6	Very high	93.7	Very high	74 Å²	74	47.4 Å²	47.4	32%	0.322	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-8.3	-179.5	-57.6	-56.7	-171.2	178.8	0	113.3	D671 I675 R703 R704	D671-K673 PolarHBondContact O-N 2.93Å; D671-K673 VanDerWaalsContact OD2-CE 3.31Å; D671-K673 WeakPolarHBondContact OD2-CE 3.22Å; D671-K673 IonicContact OD2-NZ 2.74Å; D671-K673 PolarHBondContact OD2-NZ 2.81Å; K673-I675 VanDerWaalsContact C-N 3.31Å; K673-R703 HydrophobicContact CB-CG 4.39Å; K673-R703 HydrophobicContact CG-CG 4.24Å; K673-R704 HydrophobicContact CB-CG 4.1Å; K673-R704 WeakPolarHBondContact O-CG 3.29Å; K673-R704 PolarHBondContact O-NH1 3.44Å
674	A	94.5	Very high	93.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-26.6	171.9	0	0	0	0	0	112.3	D672 H692 Q693 R704 P709	D672-A674 VanDerWaalsContact C-N 3.32Å; D672-A674 VanDerWaalsContact OD1-CB 3.25Å; D672-A674 WeakPolarHBondContact OD1-CB 3.42Å; D672-A674 PolarHBondContact OD1-N 2.81Å; A674-H692 CarbonylContact O-C 3.55Å; A674-H692 WeakPolarHBondContact O-CA 3.36Å; A674-Q693 PolarHBondContact O-N 2.86Å; A674-R704 VanDerWaalsContact CB-O 3.3Å; A674-R704 WeakPolarHBondContact CB-O 3.38Å; A674-P709 HydrophobicContact CB-CB 4.18Å; A674-P709 HydrophobicContact CB-CG 4.17Å
675	I	95.9	Very high	93.6	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	115.9	174.4	-63.8	-68	0	0	0	109.8	D672 K673 I690 G691 H692 P709 K716 A717	D672-I675 VanDerWaalsContact O-O 3.12Å; K673-I675 VanDerWaalsContact C-N 3.31Å; I675-I690 HydrophobicContact CG2-CG2 4.01Å; I675-G691 WeakPolarHBondContact CA-O 3.25Å; I675-H692 VanDerWaalsContact CD1-CD2 3.49Å; I675-H692 WeakPolarHBondContact CD1-CD2 3.47Å; I675-P709 HydrophobicContact CD1-CB 4.25Å; I675-P709 HydrophobicContact CD1-CG 3.72Å; I675-P709 HydrophobicContact CG1-CB 3.8Å; I675-P709 HydrophobicContact CG1-CG 3.82Å; I675-K716 PolarHBondContact O-NZ 3.37Å; I675-A717 HydrophobicContact CG2-CB 4.39Å
676	V	96.1	Very high	93.8	Very high	2 Å²	2	50 Å²	50	1%	0.012	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	144.6	170.2	-65.3	0	0	0	0	109.1	T649 L650 I690 G691 Q693	T649-V676 HydrophobicContact CG2-CG2 3.58Å; L650-V676 HydrophobicContact CD1-CG1 4.28Å; L650-V676 HydrophobicContact CD2-CB 4.39Å; L650-V676 HydrophobicContact CD2-CG1 4.5Å; L650-V676 HydrophobicContact CD2-CG2 4.22Å; L650-V676 HydrophobicContact CG-CG1 4.42Å; L650-V676 HydrophobicContact CG-CG2 4.23Å; V676-I690 CarbonylContact O-C 3.59Å; V676-I690 WeakPolarHBondContact O-CA 3.34Å; V676-G691 WeakPolarHBondContact CG2-O 3.25Å; V676-G691 PolarHBondContact N-O 3.12Å; V676-G691 PolarHBondContact O-N 2.94Å; V676-Q693 HydrophobicContact CG1-CB 4.09Å; V676-Q693 HydrophobicContact CG1-CG 4.44Å; V676-Q693 HydrophobicContact CG2-CB 4.21Å
677	G	96.1	Very high	94.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.8	156.4	175.5	0	0	0	0	0	112.5	L663 I689	L663-G677 PolarHBondContact N-O 3.13Å; G677-I689 CarbonylContact C-O 3.59Å; G677-I689 WeakPolarHBondContact CA-O 3.41Å
678	G	96.4	Very high	94.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.7	176.4	-166.8	0	0	0	0	0	112.9	D661 M688 I689	D661-G678 CarbonylContact O-C 3.6Å; D661-G678 WeakPolarHBondContact O-CA 3.37Å; G678-M688 VanDerWaalsContact O-SD 3.33Å; G678-I689 PolarHBondContact N-O 3.25Å; G678-I689 PolarHBondContact O-N 2.85Å
679	I	97.3	Very high	94.9	Very high	55 Å²	55	36 Å²	36	28%	0.282	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	137.1	177	-56.8	173.2	0	0	0	107.7	F660 D661 L663 M688 M729	F660-I679 CarbonylContact C-O 3.59Å; F660-I679 WeakPolarHBondContact CA-O 3.41Å; D661-I679 PolarHBondContact N-O 3.37Å; D661-I679 PolarHBondContact O-N 3.46Å; D661-I679 VanDerWaalsContact O-N 3.11Å; L663-I679 HydrophobicContact CD1-CG1 4.26Å; I679-M688 HydrophobicContact CG1-CE 3.87Å; I679-M729 HydrophobicContact CD1-CE 4.1Å; I679-M729 HydrophobicContact CG1-CE 4.19Å; I679-M729 HydrophobicContact CG2-SD 4.17Å
680	A	96.9	Very high	95.3	Very high	2 Å²	2	29 Å²	29	2%	0.017	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	174.3	173.6	0	0	0	0	0	110.3	F657 F660 P686 V687 I689	F657-A680 HydrophobicContact CB-CB 4.09Å; F657-A680 HydrophobicContact CD1-CB 4.28Å; F660-A680 HydrophobicContact CB-CB 4.39Å; F660-A680 HydrophobicContact CD2-CB 4.08Å; A680-P686 CarbonylContact O-C 3.23Å; A680-P686 WeakPolarHBondContact O-CA 3.5Å; A680-V687 HydrophobicContact CB-CG2 4.22Å; A680-V687 PolarHBondContact N-O 2.85Å; A680-V687 PolarHBondContact O-N 3.27Å; A680-I689 HydrophobicContact CB-CD1 3.52Å; A680-I689 HydrophobicContact CB-CG1 4.12Å
681	R	96.3	Very high	95.5	Very high	95 Å²	95	27.3 Å²	27.3	36%	0.358	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	133	165.4	-67.4	-171.1	-177.2	-93.7	-1.3	111.2	F657 D658 E659 G684 R685	F657-R681 WeakPolarHBondContact CA-O 3.44Å; D658-R681 HydrophobicContact CB-CB 4.38Å; D658-R681 PolarHBondContact N-O 3.28Å; D658-R681 PolarHBondContact O-N 3.09Å; E659-R681 HydrophobicContact CB-CG 4.49Å; E659-R681 WeakPolarHBondContact OE2-CD 3.16Å; E659-R681 IonicContact OE2-CZ 3.42Å; E659-R681 IonicContact OE2-NE 2.81Å; E659-R681 PolarHBondContact OE2-NE 3.21Å; R681-G684 PolarHBondContact NH1-O 3.35Å; R681-R685 CarbonylContact C-O 3.5Å; R681-R685 VanDerWaalsContact CA-O 3.27Å; R681-R685 WeakPolarHBondContact CA-O 3.29Å
682	L	94.5	Very high	95.7	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	108	168.4	-178.4	65.4	0	0	0	107.7	F657 G684 R685 V687 I732 K861 L864 L865 L868	F657-L682 HydrophobicContact CD1-CB 3.88Å; F657-L682 HydrophobicContact CD1-CD1 3.94Å; F657-L682 HydrophobicContact CD1-CG 4.43Å; F657-L682 HydrophobicContact CE1-CB 3.94Å; F657-L682 HydrophobicContact CE1-CD1 3.81Å; F657-L682 HydrophobicContact CE1-CD2 4.21Å; F657-L682 HydrophobicContact CE1-CG 4.21Å; F657-L682 HydrophobicContact CZ-CD1 4.38Å; L682-G684 VanDerWaalsContact C-N 3.28Å; L682-G684 PolarHBondContact O-N 3.31Å; L682-R685 PolarHBondContact N-O 2.93Å; L682-R685 WeakPolarHBondContact O-CB 3.38Å; L682-R685 PolarHBondContact O-N 3.22Å; L682-V687 HydrophobicContact CB-CG1 4.2Å; L682-V687 HydrophobicContact CB-CG2 4.12Å; L682-I732 HydrophobicContact CD2-CD1 3.91Å; L682-K861 HydrophobicContact CD1-CD 4.49Å; L682-K861 HydrophobicContact CD1-CG 3.95Å; L682-L864 HydrophobicContact CD2-CB 4.06Å; L682-L865 HydrophobicContact CD2-CD2 4.1Å; L682-L865 HydrophobicContact CD2-CG 4.49Å; L682-L865 HydrophobicContact CG-CD2 3.96Å; L682-L865 HydrophobicContact CG-CG 4.5Å; L682-L868 HydrophobicContact CD2-CD1 3.73Å
683	D	91.4	Very high	95.7	Very high	116 Å²	116	25 Å²	25	62%	0.62	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	46	-177	-150	36.4	0	0	0	112.6	R685 L865	D683-R685 PolarHBondContact O-N 3.39Å; D683-L865 HydrophobicContact CB-CD2 3.96Å
684	G	91	Very high	95.5	Very high	43 Å²	43	22.6 Å²	22.6	44%	0.443	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	-15.7	-176.8	0	0	0	0	0	115.4	R681 L682	R681-G684 PolarHBondContact NH1-O 3.35Å; L682-G684 VanDerWaalsContact C-N 3.28Å; L682-G684 PolarHBondContact O-N 3.31Å
685	R	93.5	Very high	95.1	Very high	75 Å²	75	22.6 Å²	22.6	28%	0.283	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	129.2	179.5	-174.5	-179.5	-177.2	174.3	4.6	111.8	R681 L682 D683 D872	R681-R685 CarbonylContact C-O 3.5Å; R681-R685 VanDerWaalsContact CA-O 3.27Å; R681-R685 WeakPolarHBondContact CA-O 3.29Å; L682-R685 PolarHBondContact N-O 2.93Å; L682-R685 WeakPolarHBondContact O-CB 3.38Å; L682-R685 PolarHBondContact O-N 3.22Å; D683-R685 PolarHBondContact O-N 3.39Å; R685-D872 IonicContact CZ-OD1 2.69Å; R685-D872 IonicContact CZ-OD2 3.59Å; R685-D872 VanDerWaalsContact NH1-CG 3.28Å; R685-D872 IonicContact NH1-OD1 3.29Å; R685-D872 PolarHBondContact NH1-OD1 3.37Å; R685-D872 VanDerWaalsContact NH1-OD1 3.14Å; R685-D872 IonicContact NH1-OD2 3.71Å; R685-D872 PolarHBondContact NH1-OD2 3.3Å; R685-D872 IonicContact NH2-OD1 3.5Å; R685-D872 PolarHBondContact NH2-OD1 2.93Å; R685-D872 IonicContact NH2-OD2 2.95Å
686	P	96.3	Very high	94.6	Very high	55 Å²	55	26.6 Å²	26.6	36%	0.357	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	131.9	176.3	29.1	-34.5	0	0	0	111.5	A680 M729 P730	A680-P686 CarbonylContact O-C 3.23Å; A680-P686 WeakPolarHBondContact O-CA 3.5Å; P686-M729 HydrophobicContact CB-CG 4.35Å; P686-M729 HydrophobicContact CB-SD 3.93Å; P686-P730 WeakPolarHBondContact O-CD 3.1Å
687	V	97.2	Very high	94.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	151.5	-179.8	-64.3	0	0	0	0	110.6	F657 A680 L682 I689 P730 I732	F657-V687 HydrophobicContact CD1-CG2 4.07Å; F657-V687 HydrophobicContact CE1-CG2 4.04Å; A680-V687 HydrophobicContact CB-CG2 4.22Å; A680-V687 PolarHBondContact N-O 2.85Å; A680-V687 PolarHBondContact O-N 3.27Å; L682-V687 HydrophobicContact CB-CG1 4.2Å; L682-V687 HydrophobicContact CB-CG2 4.12Å; V687-I689 HydrophobicContact CG2-CG1 4.27Å; V687-P730 HydrophobicContact CG1-CB 4.31Å; V687-P730 HydrophobicContact CG1-CG 4.43Å; V687-I732 HydrophobicContact CB-CD1 4.26Å; V687-I732 HydrophobicContact CG1-CD1 4.22Å; V687-I732 HydrophobicContact CG2-CD1 4.3Å
688	M	97.9	Very high	93.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	121	170	-179.1	66.4	65.9	0	0	109.4	L663 G678 I679 I690 L720 M723 A724 M729 P730 I731 I732	L663-M688 HydrophobicContact CD1-CE 4.37Å; G678-M688 VanDerWaalsContact O-SD 3.33Å; I679-M688 HydrophobicContact CG1-CE 3.87Å; M688-I690 HydrophobicContact CG-CD1 4.43Å; M688-I690 HydrophobicContact CG-CG1 4.26Å; M688-L720 HydrophobicContact CE-CB 4.45Å; M688-L720 HydrophobicContact CG-CB 4.27Å; M688-L720 HydrophobicContact SD-CB 3.85Å; M688-L720 HydrophobicContact SD-CD1 4.44Å; M688-L720 HydrophobicContact SD-CD2 4.26Å; M688-L720 HydrophobicContact SD-CG 4.39Å; M688-M723 HydrophobicContact CE-CB 4.34Å; M688-M723 HydrophobicContact CE-CG 4.29Å; M688-M723 HydrophobicContact CE-SD 4.21Å; M688-A724 HydrophobicContact CB-CB 3.55Å; M688-A724 HydrophobicContact CE-CB 4.3Å; M688-A724 HydrophobicContact CG-CB 3.93Å; M688-M729 HydrophobicContact CE-CE 4.22Å; M688-P730 PolarHBondContact N-O 2.83Å; M688-I731 HydrophobicContact CB-CG1 4.26Å; M688-I731 CarbonylContact O-C 3.45Å; M688-I731 WeakPolarHBondContact O-CA 3.14Å; M688-I732 PolarHBondContact O-N 2.82Å
689	I	97.6	Very high	92.9	Very high	1 Å²	1	46 Å²	46	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	136.3	176.6	-55.9	178.9	0	0	0	109.3	V653 F657 F660 G677 G678 A680 V687 I732 F734	V653-I689 HydrophobicContact CG2-CD1 3.92Å; V653-I689 HydrophobicContact CG2-CG2 4.01Å; F657-I689 HydrophobicContact CB-CD1 4.25Å; F657-I689 HydrophobicContact CD1-CD1 3.52Å; F657-I689 HydrophobicContact CD1-CG1 4.42Å; F657-I689 HydrophobicContact CD2-CD1 3.9Å; F657-I689 HydrophobicContact CE1-CD1 3.67Å; F657-I689 HydrophobicContact CE1-CG1 4.22Å; F657-I689 HydrophobicContact CE2-CD1 4.03Å; F657-I689 HydrophobicContact CG-CD1 3.62Å; F657-I689 HydrophobicContact CZ-CD1 3.91Å; F660-I689 HydrophobicContact CE2-CB 4.42Å; G677-I689 CarbonylContact C-O 3.59Å; G677-I689 WeakPolarHBondContact CA-O 3.41Å; G678-I689 PolarHBondContact N-O 3.25Å; G678-I689 PolarHBondContact O-N 2.85Å; A680-I689 HydrophobicContact CB-CD1 3.52Å; A680-I689 HydrophobicContact CB-CG1 4.12Å; V687-I689 HydrophobicContact CG2-CG1 4.27Å; I689-I732 WeakPolarHBondContact CA-O 3.49Å; I689-F734 HydrophobicContact CG2-CD2 3.88Å; I689-F734 HydrophobicContact CG2-CE2 3.83Å
690	I	97.6	Very high	92.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	128.3	172.8	-54.2	173.2	0	0	0	108.5	I675 V676 M688 A717 L720 M721 I731 I732 T733 F734 I785	I675-I690 HydrophobicContact CG2-CG2 4.01Å; V676-I690 CarbonylContact O-C 3.59Å; V676-I690 WeakPolarHBondContact O-CA 3.34Å; M688-I690 HydrophobicContact CG-CD1 4.43Å; M688-I690 HydrophobicContact CG-CG1 4.26Å; I690-A717 HydrophobicContact CD1-CB 4.49Å; I690-A717 HydrophobicContact CG2-CB 3.81Å; I690-L720 HydrophobicContact CD1-CB 3.85Å; I690-L720 HydrophobicContact CG1-CB 4.2Å; I690-L720 HydrophobicContact CG1-CD1 4.18Å; I690-M721 HydrophobicContact CD1-CE 3.84Å; I690-M721 HydrophobicContact CD1-CG 3.56Å; I690-I731 HydrophobicContact CD1-CG2 4.31Å; I690-I732 PolarHBondContact N-O 3.21Å; I690-T733 HydrophobicContact CB-CG2 4.31Å; I690-T733 CarbonylContact O-C 3.56Å; I690-T733 WeakPolarHBondContact O-CA 3.31Å; I690-F734 PolarHBondContact O-N 3.35Å; I690-I785 HydrophobicContact CG2-CG2 4.4Å
691	G	97	Very high	92.1	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	163.6	178.2	0	0	0	0	0	115.3	I675 V676 F734	I675-G691 WeakPolarHBondContact CA-O 3.25Å; V676-G691 WeakPolarHBondContact CG2-O 3.25Å; V676-G691 PolarHBondContact N-O 3.12Å; V676-G691 PolarHBondContact O-N 2.94Å; G691-F734 CarbonylContact C-O 3.6Å; G691-F734 WeakPolarHBondContact CA-O 3.45Å
692	H	97.1	Very high	91.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	146.6	176	-62.7	95.2	0	0	0	111	T649 A674 I675 P709 F734 D736 I785	T649-H692 WeakPolarHBondContact CB-O 3.45Å; T649-H692 PolarHBondContact OG1-O 3.36Å; A674-H692 CarbonylContact O-C 3.55Å; A674-H692 WeakPolarHBondContact O-CA 3.36Å; I675-H692 VanDerWaalsContact CD1-CD2 3.49Å; I675-H692 WeakPolarHBondContact CD1-CD2 3.47Å; H692-P709 VanDerWaalsContact CD2-CG 3.46Å; H692-P709 WeakPolarHBondContact CD2-CG 3.38Å; H692-F734 PolarHBondContact N-O 2.93Å; H692-F734 PolarHBondContact ND1-O 3.16Å; H692-D736 HydrophobicContact CB-CB 4.37Å; H692-D736 WeakPolarHBondContact CB-O 3.45Å; H692-I785 WeakPolarHBondContact CE1-CD1 3.45Å; H692-I785 WeakPolarHBondContact ND1-CD1 3.45Å
693	Q	95.4	Very high	91.6	Very high	6 Å²	6	54.5 Å²	54.5	3%	0.028	27%	0.267	C	S	.	.			trans	-140.7	116.6	178.8	-171.5	67.4	33	0	0	110.5	Y648 L650 A674 V676 R704	Y648-Q693 VanDerWaalsContact CB-OE1 3.3Å; L650-Q693 HydrophobicContact CD1-CG 4.26Å; L650-Q693 VanDerWaalsContact N-OE1 3.12Å; A674-Q693 PolarHBondContact O-N 2.86Å; V676-Q693 HydrophobicContact CG1-CB 4.09Å; V676-Q693 HydrophobicContact CG1-CG 4.44Å; V676-Q693 HydrophobicContact CG2-CB 4.21Å; Q693-R704 VanDerWaalsContact CG-CD 3.46Å; Q693-R704 VanDerWaalsContact O-CB 3.31Å; Q693-R704 WeakPolarHBondContact O-CB 3.32Å; Q693-R704 VanDerWaalsContact O-CD 3.29Å; Q693-R704 WeakPolarHBondContact O-CD 3.39Å
694	K	89.8	Confident	91.6	Very high	23 Å²	23	49.7 Å²	49.7	10%	0.1	24%	0.24	C	C	.	.			trans	-85.7	-32.4	-174.7	-70.1	175.4	169.1	172	0	114.5	Y648 K701 D736 E776	Y648-K694 HydrophobicContact CE1-CB 4.04Å; Y648-K694 HydrophobicContact CE1-CD 4.01Å; Y648-K694 HydrophobicContact CE1-CG 4.44Å; Y648-K694 HydrophobicContact CE2-CB 4.34Å; K694-K701 WeakPolarHBondContact O-CA 3.27Å; K694-D736 WeakPolarHBondContact CD-OD2 3.47Å; K694-D736 VanDerWaalsContact CE-O 3.3Å; K694-D736 WeakPolarHBondContact CE-O 3.44Å; K694-D736 WeakPolarHBondContact CE-OD1 3.37Å; K694-D736 IonicContact NZ-OD1 2.67Å; K694-D736 PolarHBondContact NZ-OD1 2.65Å; K694-D736 IonicContact NZ-OD2 3.98Å; K694-E776 IonicContact NZ-OE2 3.85Å
695	G	86.9	Confident	91.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	23%	0.229	C	C	.	.			trans	87.1	148.3	-173.8	0	0	0	0	0	113.1	E700 K701	G695-E700 VanDerWaalsContact CA-CD 3.43Å; G695-E700 WeakPolarHBondContact CA-OE2 3.42Å; G695-K701 WeakPolarHBondContact O-CG 3.42Å
696	R	85.1	Confident	91.5	Very high	84 Å²	84	50.8 Å²	50.8	32%	0.317	24%	0.237	S	C	.	.	S	Bend	trans	-95.7	-50	-176.4	-67.1	-177.4	178.8	-76.1	-10.5	112.1	P644 R646 Y648 D651 E700 K701	P644-R696 PolarHBondContact O-NH1 2.83Å; R646-R696 PolarHBondContact O-NH2 2.84Å; Y648-R696 HydrophobicContact CD2-CG 4.2Å; Y648-R696 HydrophobicContact CE2-CG 3.75Å; D651-R696 IonicContact OD1-NH2 3.29Å; D651-R696 IonicContact OD2-CZ 2.74Å; D651-R696 IonicContact OD2-NE 3.01Å; D651-R696 IonicContact OD2-NH2 3.36Å; D651-R696 PolarHBondContact OD2-NH2 2.74Å; R696-E700 PolarHBondContact N-OE2 3.4Å; R696-K701 WeakPolarHBondContact O-CE 3.3Å
697	E	84.8	Confident	91.3	Very high	140 Å²	140	48.1 Å²	48.1	65%	0.654	22%	0.22	S	C	*	.	S	Bend	trans	-87	155.9	-179.9	-60.2	-178.8	178.3	0	0	111.7	K699 E700 K701	E697-K699 VanDerWaalsContact C-N 3.27Å; E697-K699 PolarHBondContact O-N 3.27Å; E697-K699 VanDerWaalsContact O-N 3.17Å; E697-E700 CarbonylContact O-C 3.52Å; E697-E700 WeakPolarHBondContact O-CA 3.25Å; E697-E700 WeakPolarHBondContact O-CB 3.36Å; E697-E700 PolarHBondContact O-N 3.24Å; E697-K701 PolarHBondContact O-N 3.41Å
698	T	80.8	Confident	91.1	Very high	93 Å²	93	50.2 Å²	50.2	57%	0.571	23%	0.23	S	C	*	.	H	α-helix	trans	-51.4	-43.5	179.4	-45.4	0	0	0	0	113	E700 K701 I702	T698-E700 VanDerWaalsContact C-N 3.32Å; T698-E700 PolarHBondContact O-N 3.45Å; T698-K701 PolarHBondContact O-N 2.92Å; T698-I702 HydrophobicContact CG2-CD1 4.05Å; T698-I702 VanDerWaalsContact O-CG1 3.29Å; T698-I702 WeakPolarHBondContact O-CG1 3.38Å; T698-I702 PolarHBondContact O-N 3.17Å
699	K	86.2	Confident	90.9	Very high	176 Å²	176	50.2 Å²	50.2	77%	0.765	23%	0.23	S	C	*	.	H	α-helix	trans	-62.5	-40.4	177	-71.8	-176.7	179.6	176.8	0	111.9	E697 R703	E697-K699 VanDerWaalsContact C-N 3.27Å; E697-K699 PolarHBondContact O-N 3.27Å; E697-K699 VanDerWaalsContact O-N 3.17Å; K699-R703 WeakPolarHBondContact O-CB 3.48Å; K699-R703 PolarHBondContact O-N 2.79Å
700	E	90	Very high	90.8	Very high	43 Å²	43	50.5 Å²	50.5	20%	0.201	23%	0.232	C	C	.	.	H	α-helix	trans	-72.3	-43.1	179.3	-162	-172.5	-175.3	0	0	111.4	G695 R696 E697 T698 I702 R703 R704	G695-E700 VanDerWaalsContact CA-CD 3.43Å; G695-E700 WeakPolarHBondContact CA-OE2 3.42Å; R696-E700 PolarHBondContact N-OE2 3.4Å; E697-E700 CarbonylContact O-C 3.52Å; E697-E700 WeakPolarHBondContact O-CA 3.25Å; E697-E700 WeakPolarHBondContact O-CB 3.36Å; E697-E700 PolarHBondContact O-N 3.24Å; T698-E700 VanDerWaalsContact C-N 3.32Å; T698-E700 PolarHBondContact O-N 3.45Å; E700-I702 VanDerWaalsContact C-N 3.35Å; E700-I702 PolarHBondContact O-N 3.28Å; E700-R703 PolarHBondContact O-N 3.04Å; E700-R703 IonicContact OE1-NH2 3.98Å; E700-R704 HydrophobicContact CG-CG 4.32Å; E700-R704 WeakPolarHBondContact O-CB 3.28Å; E700-R704 WeakPolarHBondContact O-CG 3.38Å; E700-R704 PolarHBondContact O-N 2.92Å; E700-R704 IonicContact OE1-CZ 3.67Å; E700-R704 IonicContact OE1-NE 3.57Å; E700-R704 PolarHBondContact OE1-NE 3.47Å; E700-R704 IonicContact OE1-NH2 2.84Å; E700-R704 PolarHBondContact OE1-NH2 3.21Å
701	K	88.6	Confident	90.6	Very high	35 Å²	35	50.5 Å²	50.5	15%	0.152	23%	0.232	C	C	.	.	H	α-helix	trans	-55.1	-48.9	174.9	-71.6	-175.8	-174.8	-176.9	0	111.4	D525 K694 G695 R696 E697 T698 R704 N705 F706	D525-K701 IonicContact OD2-NZ 3.74Å; D525-K701 PolarHBondContact OD2-NZ 3.38Å; K694-K701 WeakPolarHBondContact O-CA 3.27Å; G695-K701 WeakPolarHBondContact O-CG 3.42Å; R696-K701 WeakPolarHBondContact O-CE 3.3Å; E697-K701 PolarHBondContact O-N 3.41Å; T698-K701 PolarHBondContact O-N 2.92Å; K701-R704 CarbonylContact O-C 3.11Å; K701-R704 PolarHBondContact O-N 3.42Å; K701-N705 PolarHBondContact O-N 3.47Å; K701-F706 HydrophobicContact CB-CD1 3.8Å; K701-F706 HydrophobicContact CB-CE1 3.74Å; K701-F706 HydrophobicContact CB-CZ 4.4Å; K701-F706 HydrophobicContact CD-CD1 4.18Å; K701-F706 HydrophobicContact CD-CE1 4.13Å; K701-F706 HydrophobicContact CG-CD1 4.38Å; K701-F706 PolarHBondContact O-N 2.82Å
702	I	87.8	Confident	90.5	Very high	108 Å²	108	51.2 Å²	51.2	55%	0.554	24%	0.235	S	C	*	.	H	α-helix	trans	-62	-47.8	176.5	-66.7	165.8	0	0	0	110.7	T698 E700 R704 N705 F706	T698-I702 HydrophobicContact CG2-CD1 4.05Å; T698-I702 VanDerWaalsContact O-CG1 3.29Å; T698-I702 WeakPolarHBondContact O-CG1 3.38Å; T698-I702 PolarHBondContact O-N 3.17Å; E700-I702 VanDerWaalsContact C-N 3.35Å; E700-I702 PolarHBondContact O-N 3.28Å; I702-R704 PolarHBondContact O-N 2.8Å; I702-N705 PolarHBondContact O-N 3.36Å; I702-N705 VanDerWaalsContact O-N 3.11Å; I702-F706 HydrophobicContact CG1-CE2 4.49Å; I702-F706 HydrophobicContact CG1-CZ 4.19Å
703	R	91.3	Very high	90.4	Very high	146 Å²	146	51.2 Å²	51.2	55%	0.551	24%	0.235	S	C	*	.	H	α-helix	trans	-58.6	-36.6	-179.9	-176.5	-177.8	70.8	168.3	0.2	112.6	K673 K699 E700	K673-R703 HydrophobicContact CB-CG 4.39Å; K673-R703 HydrophobicContact CG-CG 4.24Å; K699-R703 WeakPolarHBondContact O-CB 3.48Å; K699-R703 PolarHBondContact O-N 2.79Å; E700-R703 PolarHBondContact O-N 3.04Å; E700-R703 IonicContact OE1-NH2 3.98Å
704	R	93	Very high	90.4	Very high	16 Å²	16	50.9 Å²	50.9	6%	0.06	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	14.3	-179	-57.1	-173.5	-177.1	-95.4	12.2	113.3	K673 A674 Q693 E700 K701 I702 F706 G707	K673-R704 HydrophobicContact CB-CG 4.1Å; K673-R704 WeakPolarHBondContact O-CG 3.29Å; K673-R704 PolarHBondContact O-NH1 3.44Å; A674-R704 VanDerWaalsContact CB-O 3.3Å; A674-R704 WeakPolarHBondContact CB-O 3.38Å; Q693-R704 VanDerWaalsContact CG-CD 3.46Å; Q693-R704 VanDerWaalsContact O-CB 3.31Å; Q693-R704 WeakPolarHBondContact O-CB 3.32Å; Q693-R704 VanDerWaalsContact O-CD 3.29Å; Q693-R704 WeakPolarHBondContact O-CD 3.39Å; E700-R704 HydrophobicContact CG-CG 4.32Å; E700-R704 WeakPolarHBondContact O-CB 3.28Å; E700-R704 WeakPolarHBondContact O-CG 3.38Å; E700-R704 PolarHBondContact O-N 2.92Å; E700-R704 IonicContact OE1-CZ 3.67Å; E700-R704 IonicContact OE1-NE 3.57Å; E700-R704 PolarHBondContact OE1-NE 3.47Å; E700-R704 IonicContact OE1-NH2 2.84Å; E700-R704 PolarHBondContact OE1-NH2 3.21Å; K701-R704 CarbonylContact O-C 3.11Å; K701-R704 PolarHBondContact O-N 3.42Å; I702-R704 PolarHBondContact O-N 2.8Å; R704-F706 PolarHBondContact O-N 2.8Å; R704-F706 VanDerWaalsContact O-N 3.13Å; R704-G707 PolarHBondContact O-N 3.15Å
705	N	91.2	Very high	90.7	Very high	39 Å²	39	53.2 Å²	53.2	21%	0.209	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	50.3	39.5	179.3	-159.5	32.7	0	0	0	113.8	K701 I702 G707 M708 Y741	K701-N705 PolarHBondContact O-N 3.47Å; I702-N705 PolarHBondContact O-N 3.36Å; I702-N705 VanDerWaalsContact O-N 3.11Å; N705-G707 PolarHBondContact O-N 3.44Å; N705-G707 VanDerWaalsContact O-N 3.09Å; N705-M708 PolarHBondContact ND2-O 2.94Å; N705-M708 WeakPolarHBondContact O-CB 3.47Å; N705-M708 PolarHBondContact O-N 3.11Å; N705-Y741 WeakPolarHBondContact ND2-CB 3.24Å; N705-Y741 WeakPolarHBondContact ND2-CD2 3.4Å
706	F	89.9	Confident	91.2	Very high	101 Å²	101	53.2 Å²	53.2	44%	0.443	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	55	27.5	-177.7	-54.7	-94.2	0	0	0	113.7	K701 I702 R704 M708	K701-F706 HydrophobicContact CB-CD1 3.8Å; K701-F706 HydrophobicContact CB-CE1 3.74Å; K701-F706 HydrophobicContact CB-CZ 4.4Å; K701-F706 HydrophobicContact CD-CD1 4.18Å; K701-F706 HydrophobicContact CD-CE1 4.13Å; K701-F706 HydrophobicContact CG-CD1 4.38Å; K701-F706 PolarHBondContact O-N 2.82Å; I702-F706 HydrophobicContact CG1-CE2 4.49Å; I702-F706 HydrophobicContact CG1-CZ 4.19Å; R704-F706 PolarHBondContact O-N 2.8Å; R704-F706 VanDerWaalsContact O-N 3.13Å; F706-M708 VanDerWaalsContact C-N 3.29Å; F706-M708 HydrophobicContact CB-CE 4.02Å; F706-M708 HydrophobicContact CD2-CE 4.39Å
707	G	91.4	Very high	91.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	73.2	17.5	-176	0	0	0	0	0	114	R704 N705 P709 T737	R704-G707 PolarHBondContact O-N 3.15Å; N705-G707 PolarHBondContact O-N 3.44Å; N705-G707 VanDerWaalsContact O-N 3.09Å; G707-P709 VanDerWaalsContact O-CD 3.29Å; G707-P709 WeakPolarHBondContact O-CD 3.23Å; G707-T737 VanDerWaalsContact O-CB 3.27Å; G707-T737 WeakPolarHBondContact O-CB 3.2Å; G707-T737 PolarHBondContact O-OG1 3.09Å
708	M	93.9	Very high	92.2	Very high	43 Å²	43	43 Å²	43	21%	0.212	20%	0.199	C	C	.	.			trans	-94	102.4	171	-64.4	-179.3	-82.3	0	0	110	N705 F706 P738 G739	N705-M708 PolarHBondContact ND2-O 2.94Å; N705-M708 WeakPolarHBondContact O-CB 3.47Å; N705-M708 PolarHBondContact O-N 3.11Å; F706-M708 VanDerWaalsContact C-N 3.29Å; F706-M708 HydrophobicContact CB-CE 4.02Å; F706-M708 HydrophobicContact CD2-CE 4.39Å; M708-P738 HydrophobicContact CG-CG 3.6Å; M708-P738 HydrophobicContact SD-CG 4.31Å; M708-G739 VanDerWaalsContact CA-O 3.27Å; M708-G739 WeakPolarHBondContact CA-O 3.37Å; M708-G739 WeakPolarHBondContact CB-O 3.24Å; M708-G739 WeakPolarHBondContact CG-O 3.43Å
709	P	94.3	Very high	92.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	18%	0.178	C	C	.	.			trans	-71.8	146.6	-177.3	-14.9	30.2	0	0	0	112.3	D672 A674 I675 H692 G707 Y714 Y741	D672-P709 VanDerWaalsContact OD2-CA 3.23Å; D672-P709 WeakPolarHBondContact OD2-CA 3.4Å; A674-P709 HydrophobicContact CB-CB 4.18Å; A674-P709 HydrophobicContact CB-CG 4.17Å; I675-P709 HydrophobicContact CD1-CB 4.25Å; I675-P709 HydrophobicContact CD1-CG 3.72Å; I675-P709 HydrophobicContact CG1-CB 3.8Å; I675-P709 HydrophobicContact CG1-CG 3.82Å; H692-P709 VanDerWaalsContact CD2-CG 3.46Å; H692-P709 WeakPolarHBondContact CD2-CG 3.38Å; G707-P709 VanDerWaalsContact O-CD 3.29Å; G707-P709 WeakPolarHBondContact O-CD 3.23Å; P709-Y714 HydrophobicContact CB-CD2 4.42Å; P709-Y714 HydrophobicContact CB-CE1 4.22Å; P709-Y714 HydrophobicContact CB-CE2 3.71Å; P709-Y714 WeakPolarHBondContact CD-OH 3.27Å; P709-Y714 HydrophobicContact CG-CE1 4.25Å; P709-Y714 HydrophobicContact CG-CE2 4.41Å; P709-Y714 WeakPolarHBondContact CG-OH 3.4Å; P709-Y741 PolarHBondContact O-N 2.81Å
710	A	94.2	Very high	93.4	Very high	7 Å²	7	31.9 Å²	31.9	6%	0.058	14%	0.141	C	C	.	.			trans	-89.3	174.9	168.2	0	0	0	0	0	110.4	D672 E712 G713 Y714 Q751	D672-A710 PolarHBondContact OD2-N 3.28Å; A710-E712 VanDerWaalsContact C-N 3.3Å; A710-E712 HydrophobicContact CB-CG 4.13Å; A710-E712 WeakPolarHBondContact CB-OE1 3.21Å; A710-E712 PolarHBondContact O-N 2.88Å; A710-G713 PolarHBondContact O-N 2.9Å; A710-Y714 VanDerWaalsContact O-CD2 3.29Å; A710-Y714 WeakPolarHBondContact O-CD2 3.24Å; A710-Q751 VanDerWaalsContact C-OE1 3.29Å
711	P	94.4	Very high	93.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-60.2	-38.7	-174.2	-22.3	32.1	0	0	0	113	G713 Y714 R715 A746 R749 Q751 A754	P711-G713 VanDerWaalsContact C-N 3.25Å; P711-G713 PolarHBondContact O-N 2.95Å; P711-Y714 PolarHBondContact O-N 3.03Å; P711-R715 WeakPolarHBondContact O-CG 3.41Å; P711-R715 PolarHBondContact O-N 3.35Å; P711-A746 HydrophobicContact CG-CB 4.04Å; P711-A746 WeakPolarHBondContact CG-O 3.24Å; P711-R749 HydrophobicContact CB-CB 4.36Å; P711-R749 HydrophobicContact CG-CB 3.92Å; P711-Q751 HydrophobicContact CG-CB 3.99Å; P711-Q751 VanDerWaalsContact N-OE1 3.09Å; P711-A754 HydrophobicContact CB-CB 4.19Å
712	E	94.6	Very high	94	Very high	15 Å²	15	32.4 Å²	32.4	7%	0.07	14%	0.144	C	C	.	.	H	α-helix	trans	-56.1	-33.5	172.7	50.4	-93.7	-153.6	0	0	113.3	D666 Y669 A670 D672 A710 R715 K716 R749	D666-E712 HydrophobicContact CB-CB 4.4Å; D666-E712 WeakPolarHBondContact CB-O 3.04Å; D666-E712 WeakPolarHBondContact OD2-CB 3.41Å; Y669-E712 HydrophobicContact CD1-CG 4.44Å; A670-E712 HydrophobicContact CB-CG 4.28Å; D672-E712 HydrophobicContact CB-CG 3.87Å; A710-E712 VanDerWaalsContact C-N 3.3Å; A710-E712 HydrophobicContact CB-CG 4.13Å; A710-E712 WeakPolarHBondContact CB-OE1 3.21Å; A710-E712 PolarHBondContact O-N 2.88Å; E712-R715 PolarHBondContact O-N 2.8Å; E712-K716 VanDerWaalsContact O-CB 3.32Å; E712-K716 WeakPolarHBondContact O-CB 3.4Å; E712-K716 PolarHBondContact O-N 2.67Å; E712-R749 IonicContact OE1-CZ 2.78Å; E712-R749 IonicContact OE1-NE 2.69Å; E712-R749 IonicContact OE1-NH2 3.42Å; E712-R749 PolarHBondContact OE1-NH2 2.78Å; E712-R749 IonicContact OE2-CZ 3.95Å; E712-R749 IonicContact OE2-NE 3.47Å; E712-R749 PolarHBondContact OE2-NE 2.66Å; E712-R749 IonicContact OE2-NH2 3.56Å; E712-R749 PolarHBondContact OE2-NH2 2.94Å
713	G	95.5	Very high	94.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.5	-42.9	175.5	0	0	0	0	0	112.6	A710 P711 K716 A717	A710-G713 PolarHBondContact O-N 2.9Å; P711-G713 VanDerWaalsContact C-N 3.25Å; P711-G713 PolarHBondContact O-N 2.95Å; G713-K716 WeakPolarHBondContact O-CB 3.26Å; G713-K716 PolarHBondContact O-N 2.84Å; G713-A717 PolarHBondContact O-N 3.03Å
714	Y	95.9	Very high	94.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-69.8	-37.5	176.2	-59.7	-67.3	0	0	0	112.1	P709 A710 P711 A717 L718 A740 Q751 I755 N758 G781 A784	P709-Y714 HydrophobicContact CB-CD2 4.42Å; P709-Y714 HydrophobicContact CB-CE1 4.22Å; P709-Y714 HydrophobicContact CB-CE2 3.71Å; P709-Y714 WeakPolarHBondContact CD-OH 3.27Å; P709-Y714 HydrophobicContact CG-CE1 4.25Å; P709-Y714 HydrophobicContact CG-CE2 4.41Å; P709-Y714 WeakPolarHBondContact CG-OH 3.4Å; A710-Y714 VanDerWaalsContact O-CD2 3.29Å; A710-Y714 WeakPolarHBondContact O-CD2 3.24Å; P711-Y714 PolarHBondContact O-N 3.03Å; Y714-A717 WeakPolarHBondContact O-CB 3.45Å; Y714-A717 PolarHBondContact O-N 3.26Å; Y714-L718 PolarHBondContact O-N 3.32Å; Y714-A740 HydrophobicContact CE2-CB 4.27Å; Y714-A740 WeakPolarHBondContact OH-CB 3.42Å; Y714-Q751 VanDerWaalsContact CD2-NE2 3.27Å; Y714-I755 HydrophobicContact CD2-CG1 4.14Å; Y714-I755 HydrophobicContact CE2-CD1 4.42Å; Y714-I755 HydrophobicContact CE2-CG1 4.14Å; Y714-I755 HydrophobicContact CG-CG1 4.34Å; Y714-N758 PolarHBondContact O-ND2 3.18Å; Y714-N758 PolarHBondContact O-OD1 3.27Å; Y714-G781 WeakPolarHBondContact OH-CA 3.38Å; Y714-A784 HydrophobicContact CD1-CB 3.3Å; Y714-A784 HydrophobicContact CE1-CB 3.32Å; Y714-A784 HydrophobicContact CG-CB 4.26Å
715	R	95.8	Very high	94.7	Very high	71 Å²	71	24.5 Å²	24.5	27%	0.268	11%	0.112	S	C	.	.	H	α-helix	trans	-64.6	-40.5	173.1	-69.5	175.6	-177.3	142.8	3.8	112.4	D666 P711 E712 L718 R719 R749 A754	D666-R715 HydrophobicContact CB-CB 3.71Å; P711-R715 WeakPolarHBondContact O-CG 3.41Å; P711-R715 PolarHBondContact O-N 3.35Å; E712-R715 PolarHBondContact O-N 2.8Å; R715-L718 PolarHBondContact O-N 3.23Å; R715-R719 PolarHBondContact O-N 3.48Å; R715-R749 PolarHBondContact NH2-O 3.2Å; R715-A754 HydrophobicContact CG-CB 4.49Å
716	K	96.2	Very high	94.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-57.6	-50.1	170.9	175.8	-174.6	179.2	178.5	0	110.1	L663 D666 D671 I675 E712 G713 L718 R719 L720	L663-K716 WeakPolarHBondContact O-CE 3.43Å; D666-K716 HydrophobicContact CB-CB 4.3Å; D671-K716 WeakPolarHBondContact OD1-CD 3.5Å; D671-K716 WeakPolarHBondContact OD1-CE 3.31Å; D671-K716 IonicContact OD1-NZ 2.78Å; D671-K716 PolarHBondContact OD1-NZ 2.86Å; I675-K716 PolarHBondContact O-NZ 3.37Å; E712-K716 VanDerWaalsContact O-CB 3.32Å; E712-K716 WeakPolarHBondContact O-CB 3.4Å; E712-K716 PolarHBondContact O-N 2.67Å; G713-K716 WeakPolarHBondContact O-CB 3.26Å; G713-K716 PolarHBondContact O-N 2.84Å; K716-L718 VanDerWaalsContact C-N 3.34Å; K716-L718 PolarHBondContact O-N 2.97Å; K716-R719 WeakPolarHBondContact O-CB 3.45Å; K716-R719 PolarHBondContact O-N 3.43Å; K716-L720 WeakPolarHBondContact O-CG 3.48Å; K716-L720 PolarHBondContact O-N 2.93Å; K716-L720 VanDerWaalsContact O-N 3.12Å
717	A	96.5	Very high	95.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-55.9	-46.8	176.6	0	0	0	0	0	112.1	I675 I690 G713 Y714 R719 L720 M721 I785	I675-A717 HydrophobicContact CG2-CB 4.39Å; I690-A717 HydrophobicContact CD1-CB 4.49Å; I690-A717 HydrophobicContact CG2-CB 3.81Å; G713-A717 PolarHBondContact O-N 3.03Å; Y714-A717 WeakPolarHBondContact O-CB 3.45Å; Y714-A717 PolarHBondContact O-N 3.26Å; A717-R719 PolarHBondContact O-N 3.21Å; A717-L720 WeakPolarHBondContact O-CB 3.5Å; A717-L720 PolarHBondContact O-N 3.42Å; A717-L720 VanDerWaalsContact O-N 3.13Å; A717-M721 HydrophobicContact CB-CE 4.26Å; A717-M721 WeakPolarHBondContact O-CG 3.36Å; A717-M721 PolarHBondContact O-N 3Å; A717-I785 HydrophobicContact CB-CG2 4.04Å
718	L	95.8	Very high	95.2	Very high	11 Å²	11	42.9 Å²	42.9	6%	0.058	19%	0.185	C	C	.	.	H	α-helix	trans	-60.1	-44	178.2	-179.3	58	0	0	0	112.9	Y714 R715 K716 L720 M721 Q722 R757 N758 E761	Y714-L718 PolarHBondContact O-N 3.32Å; R715-L718 PolarHBondContact O-N 3.23Å; K716-L718 VanDerWaalsContact C-N 3.34Å; K716-L718 PolarHBondContact O-N 2.97Å; L718-L720 VanDerWaalsContact C-N 3.25Å; L718-L720 PolarHBondContact O-N 3.22Å; L718-M721 PolarHBondContact O-N 2.88Å; L718-Q722 HydrophobicContact CD1-CG 4.36Å; L718-Q722 WeakPolarHBondContact O-CG 3.48Å; L718-Q722 PolarHBondContact O-N 3.22Å; L718-R757 HydrophobicContact CD2-CG 3.92Å; L718-N758 WeakPolarHBondContact CB-OD1 3.26Å; L718-E761 HydrophobicContact CD1-CB 3.51Å; L718-E761 HydrophobicContact CD1-CG 3.65Å; L718-E761 HydrophobicContact CD2-CG 4.35Å
719	R	95.4	Very high	95.3	Very high	35 Å²	35	41.6 Å²	41.6	13%	0.132	18%	0.178	C	C	.	.	H	α-helix	trans	-57.6	-41.3	176.1	-178.9	-171.6	70.6	133.2	-2.9	111.3	L663 A664 G665 R715 K716 A717 M723	L663-R719 PolarHBondContact O-NH2 3.45Å; A664-R719 PolarHBondContact O-NH2 3.31Å; G665-R719 PolarHBondContact O-NE 2.82Å; G665-R719 VanDerWaalsContact O-NE 3.13Å; G665-R719 PolarHBondContact O-NH2 3.1Å; R715-R719 PolarHBondContact O-N 3.48Å; K716-R719 WeakPolarHBondContact O-CB 3.45Å; K716-R719 PolarHBondContact O-N 3.43Å; A717-R719 PolarHBondContact O-N 3.21Å; R719-M723 WeakPolarHBondContact O-CB 3.35Å; R719-M723 PolarHBondContact O-N 3.27Å; R719-M723 VanDerWaalsContact O-N 3.08Å
720	L	96.5	Very high	95.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-67.7	-41.4	177.6	-63.3	-176.7	0	0	0	111.8	L663 M688 I690 K716 A717 L718 M723 A724	L663-L720 HydrophobicContact CB-CD2 3.61Å; L663-L720 HydrophobicContact CD1-CD2 3.58Å; L663-L720 HydrophobicContact CG-CD2 4.25Å; M688-L720 HydrophobicContact CE-CB 4.45Å; M688-L720 HydrophobicContact CG-CB 4.27Å; M688-L720 HydrophobicContact SD-CB 3.85Å; M688-L720 HydrophobicContact SD-CD1 4.44Å; M688-L720 HydrophobicContact SD-CD2 4.26Å; M688-L720 HydrophobicContact SD-CG 4.39Å; I690-L720 HydrophobicContact CD1-CB 3.85Å; I690-L720 HydrophobicContact CG1-CB 4.2Å; I690-L720 HydrophobicContact CG1-CD1 4.18Å; K716-L720 WeakPolarHBondContact O-CG 3.48Å; K716-L720 PolarHBondContact O-N 2.93Å; K716-L720 VanDerWaalsContact O-N 3.12Å; A717-L720 WeakPolarHBondContact O-CB 3.5Å; A717-L720 PolarHBondContact O-N 3.42Å; A717-L720 VanDerWaalsContact O-N 3.13Å; L718-L720 VanDerWaalsContact C-N 3.25Å; L718-L720 PolarHBondContact O-N 3.22Å; L720-M723 WeakPolarHBondContact O-CB 3.28Å; L720-M723 PolarHBondContact O-N 2.64Å; L720-A724 PolarHBondContact O-N 3.02Å
721	M	95.9	Very high	95.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.4	-44.9	175.4	-64.7	167.3	-175.1	0	0	112	I690 A717 L718 M723 A724 E725 I731 M762 L765 I785	I690-M721 HydrophobicContact CD1-CE 3.84Å; I690-M721 HydrophobicContact CD1-CG 3.56Å; A717-M721 HydrophobicContact CB-CE 4.26Å; A717-M721 WeakPolarHBondContact O-CG 3.36Å; A717-M721 PolarHBondContact O-N 3Å; L718-M721 PolarHBondContact O-N 2.88Å; M721-M723 VanDerWaalsContact C-N 3.3Å; M721-M723 PolarHBondContact O-N 3.46Å; M721-A724 WeakPolarHBondContact O-CB 3.05Å; M721-A724 PolarHBondContact O-N 2.98Å; M721-E725 PolarHBondContact O-N 3.39Å; M721-I731 HydrophobicContact CB-CD1 4.04Å; M721-I731 HydrophobicContact CG-CD1 4.17Å; M721-M762 HydrophobicContact CE-CE 3.75Å; M721-M762 HydrophobicContact CE-CG 3.97Å; M721-M762 HydrophobicContact CE-SD 3.68Å; M721-M762 HydrophobicContact SD-CE 4.4Å; M721-M762 HydrophobicContact SD-CG 3.53Å; M721-M762 VanDerWaalsContact SD-CG 3.53Å; M721-M762 HydrophobicContact SD-SD 4.09Å; M721-L765 HydrophobicContact CB-CD1 4.39Å; M721-L765 HydrophobicContact CB-CD2 4.23Å; M721-I785 HydrophobicContact CE-CB 4.32Å; M721-I785 HydrophobicContact CE-CG2 3.96Å
722	Q	95.2	Very high	95.7	Very high	88 Å²	88	41.4 Å²	41.4	41%	0.411	18%	0.176	S	C	.	.	H	α-helix	trans	-62.8	-37	176.1	-71.4	175.9	-18.4	0	0	112.4	L718 R726	L718-Q722 HydrophobicContact CD1-CG 4.36Å; L718-Q722 WeakPolarHBondContact O-CG 3.48Å; L718-Q722 PolarHBondContact O-N 3.22Å; Q722-R726 WeakPolarHBondContact O-CB 3.37Å; Q722-R726 PolarHBondContact O-N 2.86Å
723	M	95.7	Very high	95.8	Very high	45 Å²	45	40.7 Å²	40.7	22%	0.222	17%	0.173	C	C	.	.	H	α-helix	trans	-64.7	-48.2	173.8	-177	178	-67.8	0	0	110.8	L663 M688 R719 L720 M721 E725 R726 F727	L663-M723 HydrophobicContact CD1-SD 3.85Å; M688-M723 HydrophobicContact CE-CB 4.34Å; M688-M723 HydrophobicContact CE-CG 4.29Å; M688-M723 HydrophobicContact CE-SD 4.21Å; R719-M723 WeakPolarHBondContact O-CB 3.35Å; R719-M723 PolarHBondContact O-N 3.27Å; R719-M723 VanDerWaalsContact O-N 3.08Å; L720-M723 WeakPolarHBondContact O-CB 3.28Å; L720-M723 PolarHBondContact O-N 2.64Å; M721-M723 VanDerWaalsContact C-N 3.3Å; M721-M723 PolarHBondContact O-N 3.46Å; M723-E725 VanDerWaalsContact C-N 3.28Å; M723-E725 PolarHBondContact O-N 3.4Å; M723-R726 PolarHBondContact O-N 3.26Å; M723-R726 VanDerWaalsContact O-N 3.16Å; M723-F727 HydrophobicContact CG-CD2 3.7Å; M723-F727 HydrophobicContact CG-CE2 3.79Å; M723-F727 VanDerWaalsContact O-CD2 3.23Å; M723-F727 WeakPolarHBondContact O-CD2 3.46Å; M723-F727 PolarHBondContact O-N 3.34Å
724	A	95.8	Very high	95.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-57.7	-42.8	177.5	0	0	0	0	0	111.6	M688 L720 M721 F727 K728 M729 I731	M688-A724 HydrophobicContact CB-CB 3.55Å; M688-A724 HydrophobicContact CE-CB 4.3Å; M688-A724 HydrophobicContact CG-CB 3.93Å; L720-A724 PolarHBondContact O-N 3.02Å; M721-A724 WeakPolarHBondContact O-CB 3.05Å; M721-A724 PolarHBondContact O-N 2.98Å; A724-F727 CarbonylContact O-C 3.47Å; A724-F727 PolarHBondContact O-N 3.09Å; A724-K728 WeakPolarHBondContact O-CA 3.4Å; A724-K728 PolarHBondContact O-N 3.32Å; A724-M729 HydrophobicContact CB-CB 4.37Å; A724-M729 PolarHBondContact O-N 3.39Å; A724-I731 HydrophobicContact CB-CD1 3.92Å; A724-I731 HydrophobicContact CB-CG1 3.51Å
725	E	94.6	Very high	96	Very high	60 Å²	60	40.7 Å²	40.7	28%	0.28	17%	0.173	S	C	.	.	H	α-helix	trans	-60.2	-47.9	174.2	-177.1	168.9	-127.9	0	0	112.3	M721 M723 F727 K728 L765 S766	M721-E725 PolarHBondContact O-N 3.39Å; M723-E725 VanDerWaalsContact C-N 3.28Å; M723-E725 PolarHBondContact O-N 3.4Å; E725-F727 PolarHBondContact O-N 2.89Å; E725-K728 PolarHBondContact O-N 2.89Å; E725-L765 HydrophobicContact CB-CD2 4.28Å; E725-S766 VanDerWaalsContact CG-OG 3.28Å; E725-S766 WeakPolarHBondContact CG-OG 3.4Å; E725-S766 WeakPolarHBondContact OE1-CB 3.47Å; E725-S766 PolarHBondContact OE1-N 2.86Å; E725-S766 PolarHBondContact OE1-OG 3.39Å
726	R	95.5	Very high	95.9	Very high	214 Å²	214	37.4 Å²	37.4	81%	0.808	16%	0.161	S	C	*	.	H	α-helix	trans	-59.5	-35.1	178.8	-174.1	176.2	-179.3	172.8	0.2	112.8	Q722 M723	Q722-R726 WeakPolarHBondContact O-CB 3.37Å; Q722-R726 PolarHBondContact O-N 2.86Å; M723-R726 PolarHBondContact O-N 3.26Å; M723-R726 VanDerWaalsContact O-N 3.16Å
727	F	95.2	Very high	95.9	Very high	131 Å²	131	37.4 Å²	37.4	58%	0.575	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.9	5.4	178.9	-70.8	-72.5	0	0	0	113.7	M723 A724 E725 M729	M723-F727 HydrophobicContact CG-CD2 3.7Å; M723-F727 HydrophobicContact CG-CE2 3.79Å; M723-F727 VanDerWaalsContact O-CD2 3.23Å; M723-F727 WeakPolarHBondContact O-CD2 3.46Å; M723-F727 PolarHBondContact O-N 3.34Å; A724-F727 CarbonylContact O-C 3.47Å; A724-F727 PolarHBondContact O-N 3.09Å; E725-F727 PolarHBondContact O-N 2.89Å; F727-M729 HydrophobicContact CB-CE 3.75Å; F727-M729 HydrophobicContact CB-CG 4.16Å; F727-M729 HydrophobicContact CD2-CE 4.36Å; F727-M729 HydrophobicContact CG-CE 4.34Å; F727-M729 PolarHBondContact O-N 2.84Å
728	K	93.3	Very high	95.6	Very high	180 Å²	180	39.8 Å²	39.8	78%	0.783	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	36	-178.7	-55.1	-176.1	178	-175	0	113.7	A724 E725	A724-K728 WeakPolarHBondContact O-CA 3.4Å; A724-K728 PolarHBondContact O-N 3.32Å; E725-K728 PolarHBondContact O-N 2.89Å
729	M	95	Very high	95.4	Very high	16 Å²	16	39.6 Å²	39.6	8%	0.079	18%	0.177	C	C	.	.			trans	-93	137.7	176.3	-65.6	-173.1	-73	0	0	110.4	I679 P686 M688 A724 F727 V767	I679-M729 HydrophobicContact CD1-CE 4.1Å; I679-M729 HydrophobicContact CG1-CE 4.19Å; I679-M729 HydrophobicContact CG2-SD 4.17Å; P686-M729 HydrophobicContact CB-CG 4.35Å; P686-M729 HydrophobicContact CB-SD 3.93Å; M688-M729 HydrophobicContact CE-CE 4.22Å; A724-M729 HydrophobicContact CB-CB 4.37Å; A724-M729 PolarHBondContact O-N 3.39Å; F727-M729 HydrophobicContact CB-CE 3.75Å; F727-M729 HydrophobicContact CB-CG 4.16Å; F727-M729 HydrophobicContact CD2-CE 4.36Å; F727-M729 HydrophobicContact CG-CE 4.34Å; F727-M729 PolarHBondContact O-N 2.84Å; M729-V767 WeakPolarHBondContact O-CB 3.49Å; M729-V767 WeakPolarHBondContact O-CG2 3.49Å
730	P	96.2	Very high	95.3	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.019	18%	0.181	C	C	.	.			trans	-60.1	150.3	168.8	-21.5	32.8	0	0	0	112	P686 V687 M688 P768 L868	P686-P730 WeakPolarHBondContact O-CD 3.1Å; V687-P730 HydrophobicContact CG1-CB 4.31Å; V687-P730 HydrophobicContact CG1-CG 4.43Å; M688-P730 PolarHBondContact N-O 2.83Å; P730-P768 CarbonylContact C-O 3.57Å; P730-P768 WeakPolarHBondContact CA-O 3.36Å; P730-P768 HydrophobicContact CB-CB 4.29Å; P730-L868 HydrophobicContact CB-CD2 3.62Å; P730-L868 HydrophobicContact CG-CD2 3.97Å
731	I	97.2	Very high	95.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	129.2	178	-61.7	158.9	0	0	0	108.9	M688 I690 M721 A724 T733 L765 V767 P768 T769 I770	M688-I731 HydrophobicContact CB-CG1 4.26Å; M688-I731 CarbonylContact O-C 3.45Å; M688-I731 WeakPolarHBondContact O-CA 3.14Å; I690-I731 HydrophobicContact CD1-CG2 4.31Å; M721-I731 HydrophobicContact CB-CD1 4.04Å; M721-I731 HydrophobicContact CG-CD1 4.17Å; A724-I731 HydrophobicContact CB-CD1 3.92Å; A724-I731 HydrophobicContact CB-CG1 3.51Å; I731-T733 HydrophobicContact CG2-CG2 3.91Å; I731-L765 HydrophobicContact CD1-CD1 3.7Å; I731-L765 HydrophobicContact CD1-CD2 4.26Å; I731-V767 HydrophobicContact CD1-CG2 3.58Å; I731-V767 HydrophobicContact CG1-CG2 4.04Å; I731-P768 PolarHBondContact N-O 3.06Å; I731-T769 HydrophobicContact CB-CG2 4.24Å; I731-T769 HydrophobicContact CG2-CG2 4.28Å; I731-T769 CarbonylContact O-C 3.55Å; I731-T769 WeakPolarHBondContact O-CA 3.2Å; I731-I770 PolarHBondContact O-N 3.18Å
732	I	97.5	Very high	94.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	124.6	174.2	-63.5	167.9	0	0	0	108.1	F657 L682 V687 M688 I689 I690 F734 I770 L864	F657-I732 HydrophobicContact CE1-CD1 3.84Å; F657-I732 HydrophobicContact CZ-CD1 4.15Å; F657-I732 HydrophobicContact CZ-CG2 4.46Å; L682-I732 HydrophobicContact CD2-CD1 3.91Å; V687-I732 HydrophobicContact CB-CD1 4.26Å; V687-I732 HydrophobicContact CG1-CD1 4.22Å; V687-I732 HydrophobicContact CG2-CD1 4.3Å; M688-I732 PolarHBondContact O-N 2.82Å; I689-I732 WeakPolarHBondContact CA-O 3.49Å; I690-I732 PolarHBondContact N-O 3.21Å; I732-F734 HydrophobicContact CG2-CE1 4.1Å; I732-F734 HydrophobicContact CG2-CE2 4.11Å; I732-F734 HydrophobicContact CG2-CZ 3.75Å; I732-I770 CarbonylContact C-O 3.58Å; I732-I770 WeakPolarHBondContact CA-O 3.37Å; I732-L864 HydrophobicContact CD1-CD1 4.4Å; I732-L864 HydrophobicContact CG2-CD1 4.19Å; I732-L864 HydrophobicContact CG2-CD2 3.95Å
733	T	97.6	Very high	94.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	140.6	-179.7	68	0	0	0	0	113.2	I690 I731 M762 I770 C771 T772 I785	I690-T733 HydrophobicContact CB-CG2 4.31Å; I690-T733 CarbonylContact O-C 3.56Å; I690-T733 WeakPolarHBondContact O-CA 3.31Å; I731-T733 HydrophobicContact CG2-CG2 3.91Å; T733-M762 HydrophobicContact CG2-CE 4.45Å; T733-I770 PolarHBondContact N-O 3.44Å; T733-I770 PolarHBondContact OG1-O 3.07Å; T733-C771 WeakPolarHBondContact OG1-CA 3.47Å; T733-C771 WeakPolarHBondContact OG1-CB 3.42Å; T733-C771 PolarHBondContact OG1-SG 2.82Å; T733-T772 PolarHBondContact O-N 3.05Å; T733-I785 WeakPolarHBondContact CB-O 3.39Å; T733-I785 HydrophobicContact CG2-CB 4.37Å; T733-I785 PolarHBondContact OG1-O 3.18Å
734	F	97.5	Very high	94	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	117.8	178.4	-64.9	-57.1	0	0	0	111.5	T649 F657 I689 I690 G691 H692 I732 T772 I774 L860 L864	T649-F734 HydrophobicContact CG2-CB 4.27Å; T649-F734 HydrophobicContact CG2-CD2 3.82Å; T649-F734 HydrophobicContact CG2-CG 4.48Å; T649-F734 WeakPolarHBondContact OG1-CB 3.48Å; F657-F734 HydrophobicContact CE2-CE2 4.04Å; F657-F734 AromaticContact CE2-CZ 3.88Å; F657-F734 HydrophobicContact CE2-CZ 3.88Å; F657-F734 HydrophobicContact CZ-CE2 4.22Å; F657-F734 AromaticContact CZ-CZ 3.95Å; F657-F734 HydrophobicContact CZ-CZ 3.95Å; I689-F734 HydrophobicContact CG2-CD2 3.88Å; I689-F734 HydrophobicContact CG2-CE2 3.83Å; I690-F734 PolarHBondContact O-N 3.35Å; G691-F734 CarbonylContact C-O 3.6Å; G691-F734 WeakPolarHBondContact CA-O 3.45Å; H692-F734 PolarHBondContact N-O 2.93Å; H692-F734 PolarHBondContact ND1-O 3.16Å; I732-F734 HydrophobicContact CG2-CE1 4.1Å; I732-F734 HydrophobicContact CG2-CE2 4.11Å; I732-F734 HydrophobicContact CG2-CZ 3.75Å; F734-T772 WeakPolarHBondContact CA-O 3.37Å; F734-I774 HydrophobicContact CB-CD1 3.93Å; F734-I774 HydrophobicContact CB-CG1 4.41Å; F734-I774 HydrophobicContact CD1-CG2 3.73Å; F734-I774 HydrophobicContact CE1-CG2 4.44Å; F734-L860 HydrophobicContact CE1-CD1 4.21Å; F734-L860 HydrophobicContact CE1-CD2 3.76Å; F734-L860 HydrophobicContact CE1-CG 4.4Å; F734-L860 HydrophobicContact CZ-CD2 4.06Å; F734-L864 HydrophobicContact CE1-CD1 4.47Å; F734-L864 HydrophobicContact CZ-CD1 4.2Å
735	I	96.9	Very high	93.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	116.8	-173.2	-55.9	170.7	0	0	0	109.9	C771 T772 V773 I774 G775 A782 I785	I735-C771 HydrophobicContact CD1-CB 4.5Å; I735-T772 PolarHBondContact N-O 3.49Å; I735-V773 HydrophobicContact CB-CG2 4.21Å; I735-V773 HydrophobicContact CD1-CG2 4.03Å; I735-V773 HydrophobicContact CG2-CG2 4.49Å; I735-I774 WeakPolarHBondContact O-CG1 3.37Å; I735-I774 PolarHBondContact O-N 3.46Å; I735-G775 PolarHBondContact O-N 3.37Å; I735-A782 HydrophobicContact CG2-CB 3.55Å; I735-I785 HydrophobicContact CG1-CD1 4.34Å; I735-I785 HydrophobicContact CG1-CG1 4.05Å
736	D	95.4	Very high	93.4	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.011	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	78.8	174.7	-171.1	23.3	0	0	0	111.1	Y648 H692 K694 I774 G775 E776	Y648-D736 WeakPolarHBondContact CD1-OD2 3.23Å; Y648-D736 WeakPolarHBondContact CE1-OD2 3.43Å; H692-D736 HydrophobicContact CB-CB 4.37Å; H692-D736 WeakPolarHBondContact CB-O 3.45Å; K694-D736 WeakPolarHBondContact CD-OD2 3.47Å; K694-D736 VanDerWaalsContact CE-O 3.3Å; K694-D736 WeakPolarHBondContact CE-O 3.44Å; K694-D736 WeakPolarHBondContact CE-OD1 3.37Å; K694-D736 IonicContact NZ-OD1 2.67Å; K694-D736 PolarHBondContact NZ-OD1 2.65Å; K694-D736 IonicContact NZ-OD2 3.98Å; D736-I774 HydrophobicContact CB-CD1 4.22Å; D736-I774 HydrophobicContact CB-CG1 3.87Å; D736-G775 WeakPolarHBondContact OD1-CA 3.47Å; D736-E776 CarbonylContact C-O 3.44Å; D736-E776 WeakPolarHBondContact CA-O 3.38Å; D736-E776 PolarHBondContact OD1-N 2.98Å
737	T	94.7	Very high	93.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	139.6	-177.8	-175.4	0	0	0	0	111	G707 G739 E776 G778 A782	G707-T737 VanDerWaalsContact O-CB 3.27Å; G707-T737 WeakPolarHBondContact O-CB 3.2Å; G707-T737 PolarHBondContact O-OG1 3.09Å; T737-G739 PolarHBondContact O-N 2.79Å; T737-G739 PolarHBondContact OG1-N 3.3Å; T737-G739 VanDerWaalsContact OG1-N 3.13Å; T737-G739 PolarHBondContact OG1-O 2.82Å; T737-E776 CarbonylContact C-O 3.55Å; T737-E776 PolarHBondContact N-O 3.4Å; T737-E776 CarbonylContact O-C 3.57Å; T737-G778 WeakPolarHBondContact O-CA 3.41Å; T737-G778 PolarHBondContact O-N 2.8Å; T737-A782 HydrophobicContact CG2-CB 3.94Å
738	P	91.2	Very high	93	Very high	50 Å²	50	42.2 Å²	42.2	33%	0.325	23%	0.229	S	C	.	.	S	Bend	trans	-73.7	-13.2	168.6	31.8	-33.1	0	0	0	112.2	M708	M708-P738 HydrophobicContact CG-CG 3.6Å; M708-P738 HydrophobicContact SD-CG 4.31Å
739	G	92.4	Very high	92.9	Very high	8 Å²	8	36.6 Å²	36.6	8%	0.082	20%	0.202	C	C	.	.			trans	153	172	-178.2	0	0	0	0	0	112.9	M708 T737 G778	M708-G739 VanDerWaalsContact CA-O 3.27Å; M708-G739 WeakPolarHBondContact CA-O 3.37Å; M708-G739 WeakPolarHBondContact CB-O 3.24Å; M708-G739 WeakPolarHBondContact CG-O 3.43Å; T737-G739 PolarHBondContact O-N 2.79Å; T737-G739 PolarHBondContact OG1-N 3.3Å; T737-G739 VanDerWaalsContact OG1-N 3.13Å; T737-G739 PolarHBondContact OG1-O 2.82Å; G739-G778 WeakPolarHBondContact CA-O 3.41Å
740	A	93	Very high	92.8	Very high	24 Å²	24	36.6 Å²	36.6	20%	0.198	21%	0.206	C	C	.	.	S	Bend	trans	-68.1	152.5	168.2	0	0	0	0	0	110.5	Y714 P742 Q751 I755	Y714-A740 HydrophobicContact CE2-CB 4.27Å; Y714-A740 WeakPolarHBondContact OH-CB 3.42Å; A740-P742 VanDerWaalsContact O-CD 3.23Å; A740-P742 WeakPolarHBondContact O-CD 3.41Å; A740-Q751 HydrophobicContact CB-CG 4.36Å; A740-I755 HydrophobicContact CB-CD1 3.97Å
741	Y	92.1	Very high	92.7	Very high	91 Å²	91	36.6 Å²	36.6	36%	0.357	21%	0.206	S	C	.	.			trans	-66.5	115.7	-179.1	179.1	-120.6	0	0	0	111.4	N705 P709 G743 A746	N705-Y741 WeakPolarHBondContact ND2-CB 3.24Å; N705-Y741 WeakPolarHBondContact ND2-CD2 3.4Å; P709-Y741 PolarHBondContact O-N 2.81Å; Y741-G743 PolarHBondContact O-N 2.82Å; Y741-A746 HydrophobicContact CD1-CB 3.93Å
742	P	86.5	Confident	92.4	Very high	108 Å²	108	40.3 Å²	40.3	70%	0.701	23%	0.232	S	C	*	.			trans	-87.2	43.9	-173	37.3	-36.3	0	0	0	111.9	A740	A740-P742 VanDerWaalsContact O-CD 3.23Å; A740-P742 WeakPolarHBondContact O-CD 3.41Å
743	G	87.9	Confident	92.3	Very high	10 Å²	10	45.8 Å²	45.8	10%	0.103	26%	0.258	C	S	.	.			trans	-96.4	144.1	-176.7	0	0	0	0	0	112.9	Y741 G745 A746 E747	Y741-G743 PolarHBondContact O-N 2.82Å; G743-G745 VanDerWaalsContact C-N 3.26Å; G743-G745 PolarHBondContact O-N 3.37Å; G743-A746 WeakPolarHBondContact O-CA 3.3Å; G743-A746 WeakPolarHBondContact O-CB 3.44Å; G743-A746 PolarHBondContact O-N 3.13Å; G743-E747 PolarHBondContact O-N 3.33Å; G743-E747 VanDerWaalsContact O-N 3.12Å
744	V	87.9	Confident	92.1	Very high	111 Å²	111	46 Å²	46	67%	0.673	26%	0.259	S	S	*	.	H	α-helix	trans	-51.2	-45.1	177.5	-179.6	0	0	0	0	112	A746 E747 E748	V744-A746 VanDerWaalsContact C-N 3.29Å; V744-A746 PolarHBondContact O-N 3.08Å; V744-E747 PolarHBondContact O-N 2.81Å; V744-E747 VanDerWaalsContact O-N 3.17Å; V744-E748 PolarHBondContact O-N 2.76Å
745	G	88.5	Confident	91.9	Very high	25 Å²	25	47 Å²	47	26%	0.258	27%	0.265	S	S	.	.	H	α-helix	trans	-65.4	-28	178.3	0	0	0	0	0	114.2	G743 R749	G743-G745 VanDerWaalsContact C-N 3.26Å; G743-G745 PolarHBondContact O-N 3.37Å; G745-R749 VanDerWaalsContact C-NH1 3.26Å; G745-R749 WeakPolarHBondContact O-CB 3.32Å; G745-R749 WeakPolarHBondContact O-CG 3.41Å; G745-R749 PolarHBondContact O-N 2.64Å; G745-R749 PolarHBondContact O-NH1 2.82Å
746	A	90.1	Very high	91.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-72.3	-40.1	173.4	0	0	0	0	0	111	P711 Y741 G743 V744 R749 G750 Q751	P711-A746 HydrophobicContact CG-CB 4.04Å; P711-A746 WeakPolarHBondContact CG-O 3.24Å; Y741-A746 HydrophobicContact CD1-CB 3.93Å; G743-A746 WeakPolarHBondContact O-CA 3.3Å; G743-A746 WeakPolarHBondContact O-CB 3.44Å; G743-A746 PolarHBondContact O-N 3.13Å; V744-A746 VanDerWaalsContact C-N 3.29Å; V744-A746 PolarHBondContact O-N 3.08Å; A746-R749 CarbonylContact O-C 3.54Å; A746-R749 PolarHBondContact O-N 3Å; A746-G750 PolarHBondContact O-N 3.13Å; A746-G750 VanDerWaalsContact O-N 3.16Å; A746-Q751 HydrophobicContact CB-CB 4.34Å; A746-Q751 WeakPolarHBondContact O-CB 3.49Å; A746-Q751 PolarHBondContact O-N 2.83Å; A746-Q751 VanDerWaalsContact O-N 3.1Å
747	E	90.1	Very high	91.8	Very high	97 Å²	97	55 Å²	55	45%	0.453	31%	0.307	S	S	.	.	H	α-helix	trans	-63.5	-44.6	174.5	-68.5	-56.9	148.8	0	0	112.1	G743 V744 R749 G750	G743-E747 PolarHBondContact O-N 3.33Å; G743-E747 VanDerWaalsContact O-N 3.12Å; V744-E747 PolarHBondContact O-N 2.81Å; V744-E747 VanDerWaalsContact O-N 3.17Å; E747-R749 PolarHBondContact O-N 3.05Å; E747-G750 PolarHBondContact O-N 2.85Å
748	E	91.5	Very high	91.8	Very high	162 Å²	162	55 Å²	55	76%	0.757	31%	0.307	S	S	*	.	H	α-helix	trans	-57.9	-31.8	174	-72.9	177.2	168.2	0	0	112.6	V744 G750	V744-E748 PolarHBondContact O-N 2.76Å; E748-G750 VanDerWaalsContact C-N 3.32Å
749	R	92.7	Very high	91.9	Very high	61 Å²	61	55.2 Å²	55.2	23%	0.23	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	5.4	175.8	-70	-166.3	-50.8	-85.2	15.9	113.5	Y669 P711 E712 R715 G745 A746 E747	Y669-R749 VanDerWaalsContact CE1-CD 3.49Å; P711-R749 HydrophobicContact CB-CB 4.36Å; P711-R749 HydrophobicContact CG-CB 3.92Å; E712-R749 IonicContact OE1-CZ 2.78Å; E712-R749 IonicContact OE1-NE 2.69Å; E712-R749 IonicContact OE1-NH2 3.42Å; E712-R749 PolarHBondContact OE1-NH2 2.78Å; E712-R749 IonicContact OE2-CZ 3.95Å; E712-R749 IonicContact OE2-NE 3.47Å; E712-R749 PolarHBondContact OE2-NE 2.66Å; E712-R749 IonicContact OE2-NH2 3.56Å; E712-R749 PolarHBondContact OE2-NH2 2.94Å; R715-R749 PolarHBondContact NH2-O 3.2Å; G745-R749 VanDerWaalsContact C-NH1 3.26Å; G745-R749 WeakPolarHBondContact O-CB 3.32Å; G745-R749 WeakPolarHBondContact O-CG 3.41Å; G745-R749 PolarHBondContact O-N 2.64Å; G745-R749 PolarHBondContact O-NH1 2.82Å; A746-R749 CarbonylContact O-C 3.54Å; A746-R749 PolarHBondContact O-N 3Å; E747-R749 PolarHBondContact O-N 3.05Å
750	G	92.7	Very high	91.9	Very high	16 Å²	16	60.7 Å²	60.7	17%	0.165	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	48.6	173.4	0	0	0	0	0	114.6	A746 E747 E748 S752 E753 A754	A746-G750 PolarHBondContact O-N 3.13Å; A746-G750 VanDerWaalsContact O-N 3.16Å; E747-G750 PolarHBondContact O-N 2.85Å; E748-G750 VanDerWaalsContact C-N 3.32Å; G750-S752 PolarHBondContact O-N 3.14Å; G750-E753 PolarHBondContact O-N 3.03Å; G750-A754 WeakPolarHBondContact O-CB 3.43Å; G750-A754 PolarHBondContact O-N 2.91Å
751	Q	93.4	Very high	91.9	Very high	4 Å²	4	61.8 Å²	61.8	2%	0.019	32%	0.324	C	S	.	.	H	α-helix	trans	-53.3	-50.9	176.6	-174.5	53.7	63.7	0	0	113	A710 P711 Y714 A740 A746 A754 I755	A710-Q751 VanDerWaalsContact C-OE1 3.29Å; P711-Q751 HydrophobicContact CG-CB 3.99Å; P711-Q751 VanDerWaalsContact N-OE1 3.09Å; Y714-Q751 VanDerWaalsContact CD2-NE2 3.27Å; A740-Q751 HydrophobicContact CB-CG 4.36Å; A746-Q751 HydrophobicContact CB-CB 4.34Å; A746-Q751 WeakPolarHBondContact O-CB 3.49Å; A746-Q751 PolarHBondContact O-N 2.83Å; A746-Q751 VanDerWaalsContact O-N 3.1Å; Q751-A754 PolarHBondContact O-N 3.11Å; Q751-I755 HydrophobicContact CG-CD1 4.47Å; Q751-I755 WeakPolarHBondContact O-CG1 3.34Å; Q751-I755 PolarHBondContact O-N 3.18Å; Q751-I755 VanDerWaalsContact O-N 3.15Å
752	S	91.8	Very high	92	Very high	78 Å²	78	57.5 Å²	57.5	55%	0.545	31%	0.307	S	S	.	.	H	α-helix	trans	-64.8	-40.5	178.9	-65.4	0	0	0	0	112.6	G750 I755 A756	G750-S752 PolarHBondContact O-N 3.14Å; S752-I755 PolarHBondContact O-N 3.01Å; S752-A756 WeakPolarHBondContact O-CB 3.25Å; S752-A756 PolarHBondContact O-N 2.82Å
753	E	94.1	Very high	92.2	Very high	114 Å²	114	54.3 Å²	54.3	53%	0.533	29%	0.288	S	S	.	.	H	α-helix	trans	-63.6	-45.1	176.8	-170.7	-145.7	150.4	0	0	111.3	G750 I755 A756 R757	G750-E753 PolarHBondContact O-N 3.03Å; E753-I755 PolarHBondContact O-N 3.02Å; E753-A756 PolarHBondContact O-N 2.84Å; E753-R757 VanDerWaalsContact O-CB 3.27Å; E753-R757 WeakPolarHBondContact O-CB 2.98Å; E753-R757 PolarHBondContact O-N 3.46Å
754	A	94.3	Very high	92.3	Very high	4 Å²	4	61.3 Å²	61.3	3%	0.033	31%	0.311	C	S	.	.	H	α-helix	trans	-61.3	-44.1	179.8	0	0	0	0	0	111.6	P711 R715 G750 Q751 N758	P711-A754 HydrophobicContact CB-CB 4.19Å; R715-A754 HydrophobicContact CG-CB 4.49Å; G750-A754 WeakPolarHBondContact O-CB 3.43Å; G750-A754 PolarHBondContact O-N 2.91Å; Q751-A754 PolarHBondContact O-N 3.11Å; A754-N758 PolarHBondContact O-N 2.95Å; A754-N758 PolarHBondContact O-OD1 2.9Å
755	I	93.9	Very high	92.6	Very high	23 Å²	23	56.2 Å²	56.2	12%	0.118	28%	0.28	C	S	.	.	H	α-helix	trans	-62	-51.7	174.4	-67.8	170.5	0	0	0	110.6	Y714 A740 Q751 S752 E753 R757 N758 L759 A784	Y714-I755 HydrophobicContact CD2-CG1 4.14Å; Y714-I755 HydrophobicContact CE2-CD1 4.42Å; Y714-I755 HydrophobicContact CE2-CG1 4.14Å; Y714-I755 HydrophobicContact CG-CG1 4.34Å; A740-I755 HydrophobicContact CB-CD1 3.97Å; Q751-I755 HydrophobicContact CG-CD1 4.47Å; Q751-I755 WeakPolarHBondContact O-CG1 3.34Å; Q751-I755 PolarHBondContact O-N 3.18Å; Q751-I755 VanDerWaalsContact O-N 3.15Å; S752-I755 PolarHBondContact O-N 3.01Å; E753-I755 PolarHBondContact O-N 3.02Å; I755-R757 VanDerWaalsContact C-N 3.29Å; I755-R757 PolarHBondContact O-N 3.06Å; I755-N758 PolarHBondContact O-N 2.72Å; I755-N758 VanDerWaalsContact O-N 3.15Å; I755-L759 HydrophobicContact CG2-CD1 4.12Å; I755-L759 HydrophobicContact CG2-CG 4.45Å; I755-L759 WeakPolarHBondContact O-CG 3.36Å; I755-L759 PolarHBondContact O-N 2.99Å; I755-A784 HydrophobicContact CB-CB 4.28Å; I755-A784 HydrophobicContact CG1-CB 4Å; I755-A784 HydrophobicContact CG2-CB 4Å
756	A	94.1	Very high	92.8	Very high	57 Å²	57	56.8 Å²	56.8	47%	0.471	28%	0.28	S	S	.	.	H	α-helix	trans	-60.4	-39.1	-178	0	0	0	0	0	112.3	S752 E753 L759 R760	S752-A756 WeakPolarHBondContact O-CB 3.25Å; S752-A756 PolarHBondContact O-N 2.82Å; E753-A756 PolarHBondContact O-N 2.84Å; A756-L759 PolarHBondContact O-N 3.03Å; A756-R760 PolarHBondContact O-N 2.89Å
757	R	94.9	Very high	93	Very high	112 Å²	112	57.1 Å²	57.1	42%	0.423	28%	0.282	S	S	.	.	H	α-helix	trans	-64.5	-45.6	175.5	-170.4	173.7	-179.4	171	-2.3	111.1	L718 E753 I755 L759 R760 E761	L718-R757 HydrophobicContact CD2-CG 3.92Å; E753-R757 VanDerWaalsContact O-CB 3.27Å; E753-R757 WeakPolarHBondContact O-CB 2.98Å; E753-R757 PolarHBondContact O-N 3.46Å; I755-R757 VanDerWaalsContact C-N 3.29Å; I755-R757 PolarHBondContact O-N 3.06Å; R757-L759 PolarHBondContact O-N 2.95Å; R757-R760 PolarHBondContact O-N 3.43Å; R757-E761 HydrophobicContact CG-CG 4.31Å; R757-E761 VanDerWaalsContact O-CG 3.31Å; R757-E761 WeakPolarHBondContact O-CG 3.41Å; R757-E761 PolarHBondContact O-N 2.69Å
758	N	94.8	Very high	93.2	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-57.8	-48.2	175.8	-78.2	24.1	0	0	0	111.9	Y714 L718 A754 I755 R760 E761 M762 A784	Y714-N758 PolarHBondContact O-ND2 3.18Å; Y714-N758 PolarHBondContact O-OD1 3.27Å; L718-N758 WeakPolarHBondContact CB-OD1 3.26Å; A754-N758 PolarHBondContact O-N 2.95Å; A754-N758 PolarHBondContact O-OD1 2.9Å; I755-N758 PolarHBondContact O-N 2.72Å; I755-N758 VanDerWaalsContact O-N 3.15Å; N758-R760 VanDerWaalsContact C-N 3.29Å; N758-R760 PolarHBondContact O-N 2.81Å; N758-E761 PolarHBondContact O-N 3.17Å; N758-M762 VanDerWaalsContact O-CB 3.31Å; N758-M762 WeakPolarHBondContact O-CB 3.3Å; N758-M762 VanDerWaalsContact O-CG 3.25Å; N758-M762 WeakPolarHBondContact O-CG 3.48Å; N758-M762 PolarHBondContact O-N 3.08Å; N758-A784 VanDerWaalsContact CB-O 3.25Å; N758-A784 WeakPolarHBondContact CB-O 3.26Å; N758-A784 PolarHBondContact ND2-O 2.81Å
759	L	92.8	Very high	93.4	Very high	54 Å²	54	45.6 Å²	45.6	28%	0.283	23%	0.23	S	C	.	.	H	α-helix	trans	-55.2	-46.2	177.6	-66.1	173.4	0	0	0	111.7	I755 A756 R757 S763 L783 V787	I755-L759 HydrophobicContact CG2-CD1 4.12Å; I755-L759 HydrophobicContact CG2-CG 4.45Å; I755-L759 WeakPolarHBondContact O-CG 3.36Å; I755-L759 PolarHBondContact O-N 2.99Å; A756-L759 PolarHBondContact O-N 3.03Å; R757-L759 PolarHBondContact O-N 2.95Å; L759-S763 PolarHBondContact O-N 2.68Å; L759-S763 VanDerWaalsContact O-N 3.08Å; L759-L783 HydrophobicContact CD2-CB 4.15Å; L759-L783 WeakPolarHBondContact CD2-O 3.4Å; L759-V787 HydrophobicContact CD2-CG2 3.41Å; L759-V787 VanDerWaalsContact CD2-CG2 3.41Å
760	R	92.8	Very high	93.6	Very high	123 Å²	123	42.7 Å²	42.7	46%	0.464	22%	0.219	S	C	.	.	H	α-helix	trans	-62	-49	178.6	-173.1	-174	73.4	-173.1	1.9	111.9	A756 R757 N758 S763	A756-R760 PolarHBondContact O-N 2.89Å; R757-R760 PolarHBondContact O-N 3.43Å; N758-R760 VanDerWaalsContact C-N 3.29Å; N758-R760 PolarHBondContact O-N 2.81Å; R760-S763 PolarHBondContact O-N 2.73Å; R760-S763 PolarHBondContact O-OG 2.96Å
761	E	93.3	Very high	93.8	Very high	47 Å²	47	41.9 Å²	41.9	22%	0.22	21%	0.211	C	C	.	.	H	α-helix	trans	-69.3	-42.2	-177.2	-60.3	-55	138.2	0	0	111.1	L718 R757 N758 S763 R764 L765	L718-E761 HydrophobicContact CD1-CB 3.51Å; L718-E761 HydrophobicContact CD1-CG 3.65Å; L718-E761 HydrophobicContact CD2-CG 4.35Å; R757-E761 HydrophobicContact CG-CG 4.31Å; R757-E761 VanDerWaalsContact O-CG 3.31Å; R757-E761 WeakPolarHBondContact O-CG 3.41Å; R757-E761 PolarHBondContact O-N 2.69Å; N758-E761 PolarHBondContact O-N 3.17Å; E761-S763 VanDerWaalsContact C-N 3.27Å; E761-S763 PolarHBondContact O-N 3.35Å; E761-R764 PolarHBondContact O-N 2.98Å; E761-L765 PolarHBondContact O-N 3.38Å
762	M	93.5	Very high	94	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-58.6	-37.7	175.6	-73.2	-173.8	90	0	0	112.5	M721 T733 N758 R764 L765 T769 I785 V787 R883	M721-M762 HydrophobicContact CE-CE 3.75Å; M721-M762 HydrophobicContact CE-CG 3.97Å; M721-M762 HydrophobicContact CE-SD 3.68Å; M721-M762 HydrophobicContact SD-CE 4.4Å; M721-M762 HydrophobicContact SD-CG 3.53Å; M721-M762 VanDerWaalsContact SD-CG 3.53Å; M721-M762 HydrophobicContact SD-SD 4.09Å; T733-M762 HydrophobicContact CG2-CE 4.45Å; N758-M762 VanDerWaalsContact O-CB 3.31Å; N758-M762 WeakPolarHBondContact O-CB 3.3Å; N758-M762 VanDerWaalsContact O-CG 3.25Å; N758-M762 WeakPolarHBondContact O-CG 3.48Å; N758-M762 PolarHBondContact O-N 3.08Å; M762-R764 PolarHBondContact O-N 2.82Å; M762-R764 VanDerWaalsContact O-N 3.09Å; M762-L765 HydrophobicContact CB-CD1 4.34Å; M762-L765 HydrophobicContact CG-CD1 4.23Å; M762-T769 HydrophobicContact CE-CG2 4.07Å; M762-I785 WeakPolarHBondContact CE-O 3.35Å; M762-V787 HydrophobicContact CB-CB 3.89Å; M762-V787 HydrophobicContact CB-CG1 4.1Å; M762-V787 WeakPolarHBondContact CE-O 3.45Å; M762-V787 HydrophobicContact SD-CB 4.22Å; M762-R883 PolarHBondContact O-NH1 3.44Å
763	S	90.5	Very high	94.2	Very high	42 Å²	42	38 Å²	38	29%	0.294	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-17.9	175.6	76.4	0	0	0	0	113.9	L759 R760 E761	L759-S763 PolarHBondContact O-N 2.68Å; L759-S763 VanDerWaalsContact O-N 3.08Å; R760-S763 PolarHBondContact O-N 2.73Å; R760-S763 PolarHBondContact O-OG 2.96Å; E761-S763 VanDerWaalsContact C-N 3.27Å; E761-S763 PolarHBondContact O-N 3.35Å
764	R	91.2	Very high	94.4	Very high	157 Å²	157	32.6 Å²	32.6	59%	0.592	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.3	-6.3	-173	-64.2	178.3	-179.8	-168.1	-2.8	115	E761 M762 S766 K880	E761-R764 PolarHBondContact O-N 2.98Å; M762-R764 PolarHBondContact O-N 2.82Å; M762-R764 VanDerWaalsContact O-N 3.09Å; R764-S766 PolarHBondContact O-N 3.4Å; R764-K880 WeakPolarHBondContact O-CE 3.07Å; R764-K880 PolarHBondContact O-NZ 2.72Å
765	L	93.3	Very high	94.3	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.021	16%	0.157	C	C	.	.			trans	-52.4	132.4	-179.7	-72	167.5	0	0	0	111.2	M721 E725 I731 E761 M762 V767 R883	M721-L765 HydrophobicContact CB-CD1 4.39Å; M721-L765 HydrophobicContact CB-CD2 4.23Å; E725-L765 HydrophobicContact CB-CD2 4.28Å; I731-L765 HydrophobicContact CD1-CD1 3.7Å; I731-L765 HydrophobicContact CD1-CD2 4.26Å; E761-L765 PolarHBondContact O-N 3.38Å; M762-L765 HydrophobicContact CB-CD1 4.34Å; M762-L765 HydrophobicContact CG-CD1 4.23Å; L765-V767 VanDerWaalsContact C-N 3.33Å; L765-R883 PolarHBondContact O-NH1 3.01Å; L765-R883 PolarHBondContact O-NH2 3.27Å
766	S	93.1	Very high	94.3	Very high	37 Å²	37	31.9 Å²	31.9	26%	0.259	15%	0.154	S	C	.	.	S	Bend	trans	-86.6	1.4	178.3	55	0	0	0	0	114.8	E725 R764	E725-S766 VanDerWaalsContact CG-OG 3.28Å; E725-S766 WeakPolarHBondContact CG-OG 3.4Å; E725-S766 WeakPolarHBondContact OE1-CB 3.47Å; E725-S766 PolarHBondContact OE1-N 2.86Å; E725-S766 PolarHBondContact OE1-OG 3.39Å; R764-S766 PolarHBondContact O-N 3.4Å
767	V	94.1	Very high	94.3	Very high	6 Å²	6	29.2 Å²	29.2	4%	0.036	13%	0.132	C	C	.	.	S	Bend	trans	-110.5	152	178.1	-64.4	0	0	0	0	111.4	M729 I731 L765 T769 R883	M729-V767 WeakPolarHBondContact O-CB 3.49Å; M729-V767 WeakPolarHBondContact O-CG2 3.49Å; I731-V767 HydrophobicContact CD1-CG2 3.58Å; I731-V767 HydrophobicContact CG1-CG2 4.04Å; L765-V767 VanDerWaalsContact C-N 3.33Å; V767-T769 PolarHBondContact O-N 2.96Å; V767-T769 PolarHBondContact O-OG1 3.23Å; V767-R883 PolarHBondContact O-NH2 3.32Å
768	P	95.2	Very high	94.1	Very high	17 Å²	17	24 Å²	24	11%	0.11	11%	0.113	C	C	.	.			trans	-54.8	128	173.3	-24.7	34.3	0	0	0	111.8	P730 I731 D789 L868 L871 L879	P730-P768 CarbonylContact C-O 3.57Å; P730-P768 WeakPolarHBondContact CA-O 3.36Å; P730-P768 HydrophobicContact CB-CB 4.29Å; I731-P768 PolarHBondContact N-O 3.06Å; P768-D789 WeakPolarHBondContact CA-OD2 3.42Å; P768-L868 HydrophobicContact CB-CD2 4.42Å; P768-L871 HydrophobicContact CB-CB 4.04Å; P768-L871 HydrophobicContact CB-CD1 3.95Å; P768-L871 HydrophobicContact CG-CB 4.39Å; P768-L879 HydrophobicContact CB-CD1 4.33Å; P768-L879 HydrophobicContact CG-CD1 3.97Å
769	T	95.4	Very high	93.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	115.8	-178.7	-56.1	0	0	0	0	109.9	I731 M762 V767 G788 D789 K790	I731-T769 HydrophobicContact CB-CG2 4.24Å; I731-T769 HydrophobicContact CG2-CG2 4.28Å; I731-T769 CarbonylContact O-C 3.55Å; I731-T769 WeakPolarHBondContact O-CA 3.2Å; M762-T769 HydrophobicContact CE-CG2 4.07Å; V767-T769 PolarHBondContact O-N 2.96Å; V767-T769 PolarHBondContact O-OG1 3.23Å; T769-G788 CarbonylContact O-C 3.52Å; T769-G788 WeakPolarHBondContact O-CA 3.18Å; T769-D789 PolarHBondContact N-OD2 2.64Å; T769-D789 PolarHBondContact O-N 2.96Å; T769-K790 PolarHBondContact O-N 3.3Å
770	I	96.6	Very high	93.5	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128	178.8	-59	163.7	0	0	0	108.8	I731 I732 T733 K790 L864 D867 L868 L871	I731-I770 PolarHBondContact O-N 3.18Å; I732-I770 CarbonylContact C-O 3.58Å; I732-I770 WeakPolarHBondContact CA-O 3.37Å; T733-I770 PolarHBondContact N-O 3.44Å; T733-I770 PolarHBondContact OG1-O 3.07Å; I770-K790 HydrophobicContact CG1-CB 4.33Å; I770-K790 HydrophobicContact CG2-CB 4.29Å; I770-L864 HydrophobicContact CG2-CD2 3.78Å; I770-D867 HydrophobicContact CD1-CB 3.62Å; I770-D867 HydrophobicContact CG1-CB 4.18Å; I770-L868 HydrophobicContact CD1-CD2 3.62Å; I770-L868 HydrophobicContact CD1-CG 3.63Å; I770-L871 HydrophobicContact CD1-CD1 4.34Å; I770-L871 HydrophobicContact CG1-CD1 3.85Å
771	C	96.7	Very high	93.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.9	177.4	-59.8	0	0	0	0	110.2	T733 I735 I785 G786 K790 V791 N792	T733-C771 WeakPolarHBondContact OG1-CA 3.47Å; T733-C771 WeakPolarHBondContact OG1-CB 3.42Å; T733-C771 PolarHBondContact OG1-SG 2.82Å; I735-C771 HydrophobicContact CD1-CB 4.5Å; C771-I785 PolarHBondContact SG-O 3.42Å; C771-G786 VanDerWaalsContact SG-C 3.51Å; C771-K790 PolarHBondContact N-O 3.38Å; C771-V791 HydrophobicContact CB-CG2 4.31Å; C771-V791 CarbonylContact O-C 3.57Å; C771-V791 VanDerWaalsContact O-CA 3.32Å; C771-V791 WeakPolarHBondContact O-CA 3.43Å; C771-N792 PolarHBondContact O-N 3.09Å
772	T	97.5	Very high	93.3	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	121.4	177.7	-54.4	0	0	0	0	111.3	T733 F734 I735 I774 N792 L794 I842 L860	T733-T772 PolarHBondContact O-N 3.05Å; F734-T772 WeakPolarHBondContact CA-O 3.37Å; I735-T772 PolarHBondContact N-O 3.49Å; T772-I774 HydrophobicContact CG2-CG2 3.86Å; T772-I774 PolarHBondContact O-N 3.25Å; T772-N792 CarbonylContact C-O 3.57Å; T772-N792 WeakPolarHBondContact CA-O 3.35Å; T772-N792 HydrophobicContact CG2-CB 4.01Å; T772-L794 HydrophobicContact CG2-CD2 4.49Å; T772-I842 HydrophobicContact CG2-CD1 4.13Å; T772-L860 HydrophobicContact CG2-CD1 3.82Å
773	V	97.1	Very high	93.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	103	172.8	-174.8	0	0	0	0	109.3	I735 N792 M793 L794 S797 T798 Y799	I735-V773 HydrophobicContact CB-CG2 4.21Å; I735-V773 HydrophobicContact CD1-CG2 4.03Å; I735-V773 HydrophobicContact CG2-CG2 4.49Å; V773-N792 PolarHBondContact N-O 2.64Å; V773-M793 HydrophobicContact CB-CG 4.07Å; V773-M793 HydrophobicContact CG1-CG 4.5Å; V773-L794 PolarHBondContact O-N 3.33Å; V773-S797 WeakPolarHBondContact O-CB 3.43Å; V773-S797 PolarHBondContact O-OG 3.17Å; V773-T798 WeakPolarHBondContact CG1-O 3.46Å; V773-Y799 HydrophobicContact CG2-CD1 4.33Å; V773-Y799 HydrophobicContact CG2-CG 4.28Å
774	I	96.5	Very high	93.2	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	-18.7	-174.9	62	168.3	0	0	0	113.3	R646 Y652 F734 I735 D736 T772 L794	R646-I774 VanDerWaalsContact CZ-O 3.3Å; R646-I774 PolarHBondContact NE-O 2.7Å; R646-I774 PolarHBondContact NH2-O 2.86Å; Y652-I774 HydrophobicContact CD2-CD1 3.85Å; Y652-I774 HydrophobicContact CD2-CG2 4.35Å; Y652-I774 HydrophobicContact CE2-CB 3.9Å; Y652-I774 HydrophobicContact CE2-CD1 3.75Å; Y652-I774 HydrophobicContact CE2-CG1 4.39Å; Y652-I774 HydrophobicContact CE2-CG2 3.96Å; F734-I774 HydrophobicContact CB-CD1 3.93Å; F734-I774 HydrophobicContact CB-CG1 4.41Å; F734-I774 HydrophobicContact CD1-CG2 3.73Å; F734-I774 HydrophobicContact CE1-CG2 4.44Å; I735-I774 WeakPolarHBondContact O-CG1 3.37Å; I735-I774 PolarHBondContact O-N 3.46Å; D736-I774 HydrophobicContact CB-CD1 4.22Å; D736-I774 HydrophobicContact CB-CG1 3.87Å; T772-I774 HydrophobicContact CG2-CG2 3.86Å; T772-I774 PolarHBondContact O-N 3.25Å; I774-L794 HydrophobicContact CB-CD1 4.02Å; I774-L794 HydrophobicContact CB-CG 4.49Å; I774-L794 HydrophobicContact CG2-CD1 4.19Å; I774-L794 HydrophobicContact CG2-CG 4.41Å
775	G	94.2	Very high	93.4	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	-114	-179.6	0	0	0	0	0	112.1	I735 D736 S797 T798	I735-G775 PolarHBondContact O-N 3.37Å; D736-G775 WeakPolarHBondContact OD1-CA 3.47Å; G775-S797 WeakPolarHBondContact O-CA 3.43Å; G775-S797 WeakPolarHBondContact O-CB 3.49Å; G775-T798 PolarHBondContact O-N 3.04Å
776	E	93.8	Very high	93.3	Very high	13 Å²	13	11.1 Å²	11.1	6%	0.061	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	130.3	175.5	-172.1	171.6	-157.9	0	0	110.3	R642 K694 D736 T737	R642-E776 IonicContact CZ-OE1 2.72Å; R642-E776 VanDerWaalsContact CZ-OE1 3.3Å; R642-E776 IonicContact NE-OE1 3.4Å; R642-E776 PolarHBondContact NE-OE1 2.89Å; R642-E776 IonicContact NE-OE2 3.71Å; R642-E776 PolarHBondContact NE-OE2 2.74Å; R642-E776 IonicContact NH2-OE1 3.65Å; R642-E776 PolarHBondContact NH2-OE1 3.48Å; K694-E776 IonicContact NZ-OE2 3.85Å; D736-E776 CarbonylContact C-O 3.44Å; D736-E776 WeakPolarHBondContact CA-O 3.38Å; D736-E776 PolarHBondContact OD1-N 2.98Å; T737-E776 CarbonylContact C-O 3.55Å; T737-E776 PolarHBondContact N-O 3.4Å; T737-E776 CarbonylContact O-C 3.57Å
777	G	93.7	Very high	93.2	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	82.2	173.9	0	0	0	0	0	110.4	T798 Y799 S800	G777-T798 WeakPolarHBondContact CA-O 3.39Å; G777-T798 PolarHBondContact N-O 3.14Å; G777-Y799 VanDerWaalsContact O-CD2 3.32Å; G777-Y799 WeakPolarHBondContact O-CD2 3.42Å; G777-S800 PolarHBondContact O-N 3.42Å
778	G	90.7	Very high	93.1	Very high	2 Å²	2	10 Å²	10	2%	0.021	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	120.9	-176.7	0	0	0	0	0	114.4	T737 G739 G781 A782	T737-G778 WeakPolarHBondContact O-CA 3.41Å; T737-G778 PolarHBondContact O-N 2.8Å; G739-G778 WeakPolarHBondContact CA-O 3.41Å; G778-G781 PolarHBondContact O-N 3.24Å; G778-A782 PolarHBondContact O-N 2.89Å; G778-A782 VanDerWaalsContact O-N 3.14Å
779	S	88	Confident	93	Very high	54 Å²	54	9.4 Å²	9.4	38%	0.378	6%	0.062	S	C	.	.	H	α-helix	trans	51.6	-149.6	160.9	-160.4	0	0	0	0	114.9	G781 A782 L783 S800 V801	S779-G781 PolarHBondContact O-N 3.1Å; S779-A782 PolarHBondContact O-N 3.15Å; S779-L783 PolarHBondContact O-N 2.99Å; S779-S800 WeakPolarHBondContact CA-O 3.48Å; S779-S800 PolarHBondContact N-O 2.83Å; S779-V801 WeakPolarHBondContact CB-O 3.41Å; S779-V801 PolarHBondContact OG-O 3.19Å
780	G	85.8	Confident	92.9	Very high	22 Å²	22	10.5 Å²	10.5	23%	0.227	7%	0.067	C	C	.	.	H	α-helix	trans	-59.8	-24.4	179.3	0	0	0	0	0	114.2	L783 A784	G780-L783 PolarHBondContact O-N 3.12Å; G780-A784 PolarHBondContact O-N 3.3Å
781	G	88.8	Confident	92.8	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-68.7	-41.8	179	0	0	0	0	0	112.8	Y714 G778 S779	Y714-G781 WeakPolarHBondContact OH-CA 3.38Å; G778-G781 PolarHBondContact O-N 3.24Å; S779-G781 PolarHBondContact O-N 3.1Å
782	A	93	Very high	92.8	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-67.3	-41.7	173.7	0	0	0	0	0	112.4	I735 T737 G778 S779 A784 I785 G786 Y799	I735-A782 HydrophobicContact CG2-CB 3.55Å; T737-A782 HydrophobicContact CG2-CB 3.94Å; G778-A782 PolarHBondContact O-N 2.89Å; G778-A782 VanDerWaalsContact O-N 3.14Å; S779-A782 PolarHBondContact O-N 3.15Å; A782-A784 VanDerWaalsContact C-N 3.29Å; A782-A784 PolarHBondContact O-N 3.19Å; A782-I785 PolarHBondContact O-N 3.33Å; A782-G786 PolarHBondContact O-N 3.16Å; A782-Y799 HydrophobicContact CB-CD2 4.3Å; A782-Y799 HydrophobicContact CB-CE2 3.69Å
783	L	91	Very high	92.8	Very high	77 Å²	77	10.9 Å²	10.9	40%	0.403	7%	0.069	S	C	.	.	H	α-helix	trans	-62.1	-34.1	-179.2	-73.8	166.6	0	0	0	113.1	L759 S779 G780 I785 G786 Y799	L759-L783 HydrophobicContact CD2-CB 4.15Å; L759-L783 WeakPolarHBondContact CD2-O 3.4Å; S779-L783 PolarHBondContact O-N 2.99Å; G780-L783 PolarHBondContact O-N 3.12Å; L783-I785 PolarHBondContact O-N 3.02Å; L783-G786 PolarHBondContact O-N 3.34Å; L783-Y799 WeakPolarHBondContact CD2-OH 3.42Å
784	A	92.1	Very high	92.8	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-16	-176.1	0	0	0	0	0	115.1	Y714 I755 N758 G780 A782	Y714-A784 HydrophobicContact CD1-CB 3.3Å; Y714-A784 HydrophobicContact CE1-CB 3.32Å; Y714-A784 HydrophobicContact CG-CB 4.26Å; I755-A784 HydrophobicContact CB-CB 4.28Å; I755-A784 HydrophobicContact CG1-CB 4Å; I755-A784 HydrophobicContact CG2-CB 4Å; N758-A784 VanDerWaalsContact CB-O 3.25Å; N758-A784 WeakPolarHBondContact CB-O 3.26Å; N758-A784 PolarHBondContact ND2-O 2.81Å; G780-A784 PolarHBondContact O-N 3.3Å; A782-A784 VanDerWaalsContact C-N 3.29Å; A782-A784 PolarHBondContact O-N 3.19Å
785	I	94.3	Very high	92.6	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127	12.7	168.8	67.3	171.1	0	0	0	112.4	I690 H692 A717 M721 T733 I735 M762 C771 A782 L783	I690-I785 HydrophobicContact CG2-CG2 4.4Å; H692-I785 WeakPolarHBondContact CE1-CD1 3.45Å; H692-I785 WeakPolarHBondContact ND1-CD1 3.45Å; A717-I785 HydrophobicContact CB-CG2 4.04Å; M721-I785 HydrophobicContact CE-CB 4.32Å; M721-I785 HydrophobicContact CE-CG2 3.96Å; T733-I785 WeakPolarHBondContact CB-O 3.39Å; T733-I785 HydrophobicContact CG2-CB 4.37Å; T733-I785 PolarHBondContact OG1-O 3.18Å; I735-I785 HydrophobicContact CG1-CD1 4.34Å; I735-I785 HydrophobicContact CG1-CG1 4.05Å; M762-I785 WeakPolarHBondContact CE-O 3.35Å; C771-I785 PolarHBondContact SG-O 3.42Å; A782-I785 PolarHBondContact O-N 3.33Å; L783-I785 PolarHBondContact O-N 3.02Å
786	G	92.4	Very high	92.6	Very high	6 Å²	6	14.7 Å²	14.7	6%	0.062	9%	0.086	C	C	.	.			trans	-102.3	7	-173.6	0	0	0	0	0	115.6	C771 A782 L783	C771-G786 VanDerWaalsContact SG-C 3.51Å; A782-G786 PolarHBondContact O-N 3.16Å; L783-G786 PolarHBondContact O-N 3.34Å
787	V	91.2	Very high	92.6	Very high	17 Å²	17	14.1 Å²	14.1	10%	0.103	8%	0.084	C	C	.	.			trans	-96.7	106.4	178.5	178.3	0	0	0	0	110	L759 M762 L887	L759-V787 HydrophobicContact CD2-CG2 3.41Å; L759-V787 VanDerWaalsContact CD2-CG2 3.41Å; M762-V787 HydrophobicContact CB-CB 3.89Å; M762-V787 HydrophobicContact CB-CG1 4.1Å; M762-V787 WeakPolarHBondContact CE-O 3.45Å; M762-V787 HydrophobicContact SD-CB 4.22Å; V787-L887 HydrophobicContact CG1-CD1 3.92Å; V787-L887 HydrophobicContact CG1-CD2 4.4Å
788	G	91.6	Very high	92.7	Very high	3 Å²	3	14.2 Å²	14.2	3%	0.031	8%	0.084	C	C	.	.	S	Bend	trans	-144.4	-175.1	-178.8	0	0	0	0	0	113.3	T769	T769-G788 CarbonylContact O-C 3.52Å; T769-G788 WeakPolarHBondContact O-CA 3.18Å
789	D	93.1	Very high	92.9	Very high	3 Å²	3	15.9 Å²	15.9	2%	0.016	9%	0.09	C	C	.	.	S	Bend	trans	-74.7	-34.1	173.1	-55.2	-54.4	0	0	0	111.3	P768 T769 L871 L879 R883 R886	P768-D789 WeakPolarHBondContact CA-OD2 3.42Å; T769-D789 PolarHBondContact N-OD2 2.64Å; T769-D789 PolarHBondContact O-N 2.96Å; D789-L871 HydrophobicContact CB-CD1 3.84Å; D789-L871 HydrophobicContact CB-CD2 3.58Å; D789-L871 HydrophobicContact CB-CG 4.39Å; D789-L879 WeakPolarHBondContact OD1-CD2 3.49Å; D789-L879 WeakPolarHBondContact OD2-CD2 3.3Å; D789-R883 IonicContact OD1-CZ 2.84Å; D789-R883 IonicContact OD1-NE 2.7Å; D789-R883 PolarHBondContact OD1-NE 3.36Å; D789-R883 IonicContact OD1-NH2 3.79Å; D789-R883 PolarHBondContact OD1-NH2 2.81Å; D789-R883 IonicContact OD2-CZ 3.14Å; D789-R883 IonicContact OD2-NE 3.36Å; D789-R883 IonicContact OD2-NH2 3.51Å; D789-R883 PolarHBondContact OD2-NH2 2.86Å; D789-R886 PolarHBondContact O-NH1 3.45Å
790	K	93.5	Very high	93	Very high	23 Å²	23	14 Å²	14	10%	0.1	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	138	176.2	-69	-74.4	-172.5	158	0	110.3	T769 I770 C771 D839 D867 D870 L871	T769-K790 PolarHBondContact O-N 3.3Å; I770-K790 HydrophobicContact CG1-CB 4.33Å; I770-K790 HydrophobicContact CG2-CB 4.29Å; C771-K790 PolarHBondContact N-O 3.38Å; K790-D839 WeakPolarHBondContact CA-OD2 3.43Å; K790-D839 HydrophobicContact CD-CB 4.04Å; K790-D867 HydrophobicContact CG-CB 4.34Å; K790-D870 WeakPolarHBondContact CE-OD2 3.22Å; K790-D870 IonicContact NZ-OD2 2.75Å; K790-D870 PolarHBondContact NZ-OD2 3.03Å; K790-L871 HydrophobicContact CG-CD1 4.16Å; K790-L871 HydrophobicContact CG-CD2 4.4Å; K790-L871 HydrophobicContact CG-CG 4.43Å
791	V	94.7	Very high	93.2	Very high	9 Å²	9	18.8 Å²	18.8	6%	0.055	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	110	174.1	-175.4	0	0	0	0	108.1	C771 I838 D839	C771-V791 HydrophobicContact CB-CG2 4.31Å; C771-V791 CarbonylContact O-C 3.57Å; C771-V791 VanDerWaalsContact O-CA 3.32Å; C771-V791 WeakPolarHBondContact O-CA 3.43Å; V791-I838 HydrophobicContact CG1-CG2 3.97Å; V791-I838 WeakPolarHBondContact O-CB 3.46Å; V791-D839 PolarHBondContact N-OD2 2.97Å; V791-D839 PolarHBondContact O-N 3.13Å
792	N	96.6	Very high	93.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	157	178.4	-61.1	-30.7	0	0	0	110.7	C771 T772 V773 S840 I842 D867	C771-N792 PolarHBondContact O-N 3.09Å; T772-N792 CarbonylContact C-O 3.57Å; T772-N792 WeakPolarHBondContact CA-O 3.35Å; T772-N792 HydrophobicContact CG2-CB 4.01Å; V773-N792 PolarHBondContact N-O 2.64Å; N792-S840 WeakPolarHBondContact CA-O 3.32Å; N792-S840 WeakPolarHBondContact OD1-CB 3.46Å; N792-I842 HydrophobicContact CB-CD1 4.11Å; N792-I842 HydrophobicContact CB-CG1 4.41Å; N792-D867 PolarHBondContact ND2-OD2 3.44Å; N792-D867 PolarHBondContact OD1-OD2 3.05Å
793	M	96.5	Very high	93.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	133.2	178.2	-164.4	162.2	169.2	0	0	109.8	V773 S797 T798 A829 L832 I838 S840 I841 I842	V773-M793 HydrophobicContact CB-CG 4.07Å; V773-M793 HydrophobicContact CG1-CG 4.5Å; M793-S797 WeakPolarHBondContact CE-O 3.39Å; M793-S797 WeakPolarHBondContact CG-OG 3.44Å; M793-T798 VanDerWaalsContact CE-C 3.5Å; M793-A829 HydrophobicContact CB-CB 4.27Å; M793-A829 HydrophobicContact CE-CB 4.06Å; M793-A829 HydrophobicContact CG-CB 3.88Å; M793-A829 HydrophobicContact SD-CB 3.88Å; M793-L832 HydrophobicContact CE-CD1 3.85Å; M793-L832 HydrophobicContact SD-CD1 3.59Å; M793-L832 VanDerWaalsContact SD-CD1 3.59Å; M793-I838 HydrophobicContact CB-CD1 3.58Å; M793-I838 HydrophobicContact CB-CG2 4.47Å; M793-I838 HydrophobicContact CG-CD1 4.35Å; M793-I838 HydrophobicContact SD-CD1 4.01Å; M793-I838 HydrophobicContact SD-CG2 4.37Å; M793-S840 PolarHBondContact N-O 3.48Å; M793-I841 CarbonylContact O-C 3.58Å; M793-I841 VanDerWaalsContact O-CA 3.32Å; M793-I841 WeakPolarHBondContact O-CA 3.21Å; M793-I842 PolarHBondContact O-N 2.76Å
794	L	96.5	Very high	93.2	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	147.5	169.2	-57.5	-168.7	0	0	0	110	Y652 T772 V773 I774 Y796 S797 I842 E844 M856	Y652-L794 WeakPolarHBondContact OH-CD1 3.46Å; T772-L794 HydrophobicContact CG2-CD2 4.49Å; V773-L794 PolarHBondContact O-N 3.33Å; I774-L794 HydrophobicContact CB-CD1 4.02Å; I774-L794 HydrophobicContact CB-CG 4.49Å; I774-L794 HydrophobicContact CG2-CD1 4.19Å; I774-L794 HydrophobicContact CG2-CG 4.41Å; L794-Y796 PolarHBondContact O-N 3.02Å; L794-Y796 VanDerWaalsContact O-N 3.12Å; L794-S797 PolarHBondContact N-OG 3.25Å; L794-S797 PolarHBondContact O-N 2.9Å; L794-S797 PolarHBondContact O-OG 3.19Å; L794-I842 HydrophobicContact CD2-CB 3.66Å; L794-I842 HydrophobicContact CD2-CD1 3.94Å; L794-I842 HydrophobicContact CD2-CG1 4.21Å; L794-I842 HydrophobicContact CD2-CG2 4.08Å; L794-E844 HydrophobicContact CB-CG 4.2Å; L794-E844 WeakPolarHBondContact CB-OE1 3.28Å; L794-M856 HydrophobicContact CD1-CE 4.26Å; L794-M856 HydrophobicContact CD1-CG 4.4Å; L794-M856 HydrophobicContact CD1-SD 4.16Å; L794-M856 HydrophobicContact CD2-CE 3.46Å; L794-M856 VanDerWaalsContact CD2-CE 3.46Å; L794-M856 HydrophobicContact CD2-SD 4.32Å; L794-M856 HydrophobicContact CG-CE 4.44Å
795	Q	93.7	Very high	93.2	Very high	63 Å²	63	22.3 Å²	22.3	29%	0.294	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-39.5	-172.3	-174.3	178.3	-4.3	0	0	114.6	I841 I842 E844	Q795-I841 HydrophobicContact CB-CG2 4.18Å; Q795-I842 PolarHBondContact N-O 2.82Å; Q795-E844 HydrophobicContact CB-CB 4.31Å; Q795-E844 HydrophobicContact CB-CG 3.97Å; Q795-E844 PolarHBondContact N-OE1 3.25Å
796	Y	93.8	Very high	92.9	Very high	17 Å²	17	23 Å²	23	7%	0.067	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	29.5	-179.1	-47.9	-58.4	0	0	0	112.3	F629 L632 I637 L640 A641 L794 E844	F629-Y796 HydrophobicContact CD1-CE1 4.32Å; F629-Y796 AromaticContact CD1-CE2 3.85Å; F629-Y796 HydrophobicContact CD1-CE2 3.85Å; F629-Y796 AromaticContact CD1-CZ 3.73Å; F629-Y796 HydrophobicContact CE1-CE2 4.22Å; L632-Y796 HydrophobicContact CD1-CD1 4.15Å; L632-Y796 HydrophobicContact CD1-CE1 3.85Å; I637-Y796 HydrophobicContact CG1-CD1 4.24Å; L640-Y796 HydrophobicContact CD1-CD1 4.49Å; L640-Y796 HydrophobicContact CD1-CG 4.33Å; A641-Y796 WeakPolarHBondContact CA-O 3.5Å; A641-Y796 WeakPolarHBondContact CB-O 3.28Å; A641-Y796 PolarHBondContact N-O 3.14Å; L794-Y796 PolarHBondContact O-N 3.02Å; L794-Y796 VanDerWaalsContact O-N 3.12Å; Y796-E844 WeakPolarHBondContact CA-OE1 3.45Å; Y796-E844 WeakPolarHBondContact CB-OE1 3.08Å; Y796-E844 HydrophobicContact CD2-CB 3.78Å; Y796-E844 VanDerWaalsContact CD2-CD 3.47Å; Y796-E844 HydrophobicContact CD2-CG 4.05Å; Y796-E844 WeakPolarHBondContact CD2-OE2 3.5Å; Y796-E844 HydrophobicContact CE2-CB 3.82Å; Y796-E844 PolarHBondContact N-OE1 3.11Å
797	S	94.4	Very high	92.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.132	C	C	.	.			trans	-92.7	170.5	167.1	72	0	0	0	0	110.8	V773 G775 M793 L794	V773-S797 WeakPolarHBondContact O-CB 3.43Å; V773-S797 PolarHBondContact O-OG 3.17Å; G775-S797 WeakPolarHBondContact O-CA 3.43Å; G775-S797 WeakPolarHBondContact O-CB 3.49Å; M793-S797 WeakPolarHBondContact CE-O 3.39Å; M793-S797 WeakPolarHBondContact CG-OG 3.44Å; L794-S797 PolarHBondContact N-OG 3.25Å; L794-S797 PolarHBondContact O-N 2.9Å; L794-S797 PolarHBondContact O-OG 3.19Å
798	T	94.6	Very high	93	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.018	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	147.4	178.6	51.1	0	0	0	0	111	I637 A638 A641 V773 G775 G777 M793 I827	I637-T798 HydrophobicContact CG2-CG2 4.13Å; A638-T798 HydrophobicContact CB-CG2 3.99Å; A641-T798 HydrophobicContact CB-CG2 4.16Å; V773-T798 WeakPolarHBondContact CG1-O 3.46Å; G775-T798 PolarHBondContact O-N 3.04Å; G777-T798 WeakPolarHBondContact CA-O 3.39Å; G777-T798 PolarHBondContact N-O 3.14Å; M793-T798 VanDerWaalsContact CE-C 3.5Å; T798-I827 WeakPolarHBondContact CA-O 3.21Å; T798-I827 HydrophobicContact CG2-CD1 3.93Å; T798-I827 HydrophobicContact CG2-CG1 4.12Å
799	Y	94.2	Very high	92.9	Very high	37 Å²	37	25.4 Å²	25.4	15%	0.145	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	117.9	174.9	-165.7	-159.3	0	0	0	109.6	V773 G777 A782 L783 I827	V773-Y799 HydrophobicContact CG2-CD1 4.33Å; V773-Y799 HydrophobicContact CG2-CG 4.28Å; G777-Y799 VanDerWaalsContact O-CD2 3.32Å; G777-Y799 WeakPolarHBondContact O-CD2 3.42Å; A782-Y799 HydrophobicContact CB-CD2 4.3Å; A782-Y799 HydrophobicContact CB-CE2 3.69Å; L783-Y799 WeakPolarHBondContact CD2-OH 3.42Å; Y799-I827 PolarHBondContact N-O 3.28Å; Y799-I827 VanDerWaalsContact N-O 3.09Å
800	S	92	Very high	92.8	Very high	13 Å²	13	30.9 Å²	30.9	9%	0.091	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	153.2	-166.7	72.6	0	0	0	0	113.7	G777 S779 I802 I827	G777-S800 PolarHBondContact O-N 3.42Å; S779-S800 WeakPolarHBondContact CA-O 3.48Å; S779-S800 PolarHBondContact N-O 2.83Å; S800-I802 VanDerWaalsContact CB-O 3.22Å; S800-I802 WeakPolarHBondContact CB-O 3.41Å; S800-I802 PolarHBondContact OG-O 3.08Å; S800-I827 VanDerWaalsContact CB-CG2 3.48Å
801	V	89.2	Confident	92.7	Very high	123 Å²	123	34.9 Å²	34.9	75%	0.745	20%	0.195	S	C	*	.	S	Bend	trans	-77.5	-28.3	177.7	-176	0	0	0	0	111.8	S779	S779-V801 WeakPolarHBondContact CB-O 3.41Å; S779-V801 PolarHBondContact OG-O 3.19Å
802	I	90.2	Very high	92.5	Very high	61 Å²	61	38.8 Å²	38.8	31%	0.313	21%	0.209	S	C	.	.	S	Bend	trans	-144.1	161.1	178.1	-170.8	167.9	0	0	0	108.2	S800 C807 I810 M825	S800-I802 VanDerWaalsContact CB-O 3.22Å; S800-I802 WeakPolarHBondContact CB-O 3.41Å; S800-I802 PolarHBondContact OG-O 3.08Å; I802-C807 HydrophobicContact CG2-CB 3.89Å; I802-I810 HydrophobicContact CD1-CD1 3.59Å; I802-M825 HydrophobicContact CG2-CE 3.52Å; I802-M825 HydrophobicContact CG2-SD 4.35Å; I802-M825 VanDerWaalsContact O-CE 3.24Å; I802-M825 WeakPolarHBondContact O-CE 3.13Å
803	S	90.8	Very high	92	Very high	40 Å²	40	48.1 Å²	48.1	28%	0.28	25%	0.249	S	C	.	.			trans	-69.2	150.5	169.8	63.2	0	0	0	0	111	E805 G806 C807	S803-E805 WeakPolarHBondContact CB-OE2 3.15Å; S803-E805 PolarHBondContact O-N 3.49Å; S803-G806 PolarHBondContact O-N 3.16Å; S803-G806 PolarHBondContact OG-N 3.02Å; S803-G806 VanDerWaalsContact OG-N 3.1Å; S803-C807 PolarHBondContact O-N 3.16Å
804	P	91.2	Very high	91.4	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.013	26%	0.261	C	S	.	.	H	α-helix	trans	-54.7	-37.6	174.3	-27.3	35.3	0	0	0	113.2	W635 C807 A808 A818 A821 A822 I827	W635-P804 HydrophobicContact CE3-CB 4.18Å; W635-P804 HydrophobicContact CE3-CG 4.47Å; W635-P804 HydrophobicContact CZ3-CB 3.92Å; W635-P804 HydrophobicContact CZ3-CG 4.27Å; P804-C807 PolarHBondContact O-N 3.06Å; P804-A808 VanDerWaalsContact O-CB 3.27Å; P804-A808 WeakPolarHBondContact O-CB 3.49Å; P804-A808 PolarHBondContact O-N 3.07Å; P804-A818 HydrophobicContact CB-CB 4.29Å; P804-A821 HydrophobicContact CB-CB 4.39Å; P804-A821 VanDerWaalsContact O-CB 3.26Å; P804-A821 WeakPolarHBondContact O-CB 3.5Å; P804-A822 HydrophobicContact CB-CB 4Å; P804-A822 HydrophobicContact CG-CB 4.04Å; P804-I827 HydrophobicContact CG-CD1 3.74Å
805	E	91.8	Very high	90.8	Very high	49 Å²	49	52.1 Å²	52.1	23%	0.229	28%	0.28	C	S	.	.	H	α-helix	trans	-65	-42.5	175.8	-58.9	89.5	157.6	0	0	111.9	W635 R642 S803 A808 S809 A818	W635-E805 HydrophobicContact CH2-CG 4.22Å; W635-E805 VanDerWaalsContact CH2-OE1 3.27Å; W635-E805 WeakPolarHBondContact CH2-OE1 3.3Å; R642-E805 IonicContact CZ-OE1 3.76Å; R642-E805 IonicContact CZ-OE2 3.88Å; R642-E805 IonicContact NH1-OE1 3.5Å; R642-E805 PolarHBondContact NH1-OE1 3.16Å; R642-E805 IonicContact NH1-OE2 3.12Å; R642-E805 PolarHBondContact NH1-OE2 3.42Å; R642-E805 IonicContact NH2-OE1 2.85Å; R642-E805 IonicContact NH2-OE2 2.65Å; R642-E805 PolarHBondContact NH2-OE2 3.49Å; R642-E805 VanDerWaalsContact NH2-OE2 3.08Å; S803-E805 WeakPolarHBondContact CB-OE2 3.15Å; S803-E805 PolarHBondContact O-N 3.49Å; E805-A808 PolarHBondContact O-N 3.2Å; E805-S809 WeakPolarHBondContact O-CB 3.17Å; E805-S809 PolarHBondContact O-N 3Å; E805-A818 HydrophobicContact CG-CB 3.97Å
806	G	89.9	Confident	90.5	Very high	15 Å²	15	56 Å²	56	16%	0.155	30%	0.303	C	S	.	.	H	α-helix	trans	-62.4	-48.4	175.9	0	0	0	0	0	111.1	S803 A808 S809 I810	S803-G806 PolarHBondContact O-N 3.16Å; S803-G806 PolarHBondContact OG-N 3.02Å; S803-G806 VanDerWaalsContact OG-N 3.1Å; G806-A808 VanDerWaalsContact C-N 3.29Å; G806-A808 PolarHBondContact O-N 3.4Å; G806-S809 PolarHBondContact O-N 3.3Å; G806-S809 PolarHBondContact O-OG 2.89Å; G806-I810 WeakPolarHBondContact O-CG1 3.22Å; G806-I810 PolarHBondContact O-N 3.23Å; G806-I810 VanDerWaalsContact O-N 3.13Å
807	C	92	Very high	90.2	Very high	17 Å²	17	59.2 Å²	59.2	12%	0.115	32%	0.318	C	S	.	.	H	α-helix	trans	-56.7	-44.8	173.7	-175.4	0	0	0	0	111.4	I802 S803 P804 S809 I810 L811 A821 M825	I802-C807 HydrophobicContact CG2-CB 3.89Å; S803-C807 PolarHBondContact O-N 3.16Å; P804-C807 PolarHBondContact O-N 3.06Å; C807-S809 VanDerWaalsContact C-N 3.34Å; C807-S809 PolarHBondContact O-N 3.47Å; C807-I810 PolarHBondContact O-N 2.83Å; C807-I810 VanDerWaalsContact O-N 3.1Å; C807-L811 PolarHBondContact O-N 3.1Å; C807-L811 VanDerWaalsContact SG-CD1 3.55Å; C807-A821 HydrophobicContact CB-CB 4.15Å; C807-M825 HydrophobicContact CB-CE 4.34Å; C807-M825 HydrophobicContact CB-CG 4.46Å; C807-M825 HydrophobicContact CB-SD 3.37Å; C807-M825 WeakPolarHBondContact CB-SD 3.33Å; C807-M825 VanDerWaalsContact SG-SD 3.64Å
808	A	92.4	Very high	89.9	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-64.4	-40.2	-178.7	0	0	0	0	0	112.7	P804 E805 G806 I810 W812 K813 S814 K817 A821	P804-A808 VanDerWaalsContact O-CB 3.27Å; P804-A808 WeakPolarHBondContact O-CB 3.49Å; P804-A808 PolarHBondContact O-N 3.07Å; E805-A808 PolarHBondContact O-N 3.2Å; G806-A808 VanDerWaalsContact C-N 3.29Å; G806-A808 PolarHBondContact O-N 3.4Å; A808-I810 VanDerWaalsContact C-N 3.26Å; A808-I810 PolarHBondContact O-N 3.48Å; A808-W812 HydrophobicContact CB-CE3 4.07Å; A808-W812 HydrophobicContact CB-CZ3 4.34Å; A808-W812 WeakPolarHBondContact O-CA 3.2Å; A808-W812 PolarHBondContact O-N 3.2Å; A808-K813 PolarHBondContact O-N 3.46Å; A808-S814 CarbonylContact C-O 3.53Å; A808-S814 VanDerWaalsContact C-O 3.26Å; A808-S814 VanDerWaalsContact CB-O 3.3Å; A808-S814 WeakPolarHBondContact CB-O 3.47Å; A808-K817 HydrophobicContact CB-CB 4.27Å; A808-A821 HydrophobicContact CB-CB 3.97Å
809	S	90.7	Very high	89.7	Confident	59 Å²	59	61.7 Å²	61.7	41%	0.413	33%	0.334	S	S	.	.	H	α-helix	trans	-63.7	-30.7	174.8	78	0	0	0	0	112.9	E805 G806 C807 K813	E805-S809 WeakPolarHBondContact O-CB 3.17Å; E805-S809 PolarHBondContact O-N 3Å; G806-S809 PolarHBondContact O-N 3.3Å; G806-S809 PolarHBondContact O-OG 2.89Å; C807-S809 VanDerWaalsContact C-N 3.34Å; C807-S809 PolarHBondContact O-N 3.47Å; S809-K813 WeakPolarHBondContact O-CA 3.35Å; S809-K813 PolarHBondContact O-N 2.93Å
810	I	90.1	Very high	89.4	Confident	117 Å²	117	64.9 Å²	64.9	60%	0.6	35%	0.353	S	S	*	.	H	α-helix	trans	-79.1	-52.5	178.1	-66.1	168.8	0	0	0	110.6	I802 G806 C807 A808	I802-I810 HydrophobicContact CD1-CD1 3.59Å; G806-I810 WeakPolarHBondContact O-CG1 3.22Å; G806-I810 PolarHBondContact O-N 3.23Å; G806-I810 VanDerWaalsContact O-N 3.13Å; C807-I810 PolarHBondContact O-N 2.83Å; C807-I810 VanDerWaalsContact O-N 3.1Å; A808-I810 VanDerWaalsContact C-N 3.26Å; A808-I810 PolarHBondContact O-N 3.48Å
811	L	90.5	Very high	89.4	Confident	107 Å²	107	64.3 Å²	64.3	56%	0.56	35%	0.349	S	S	*	.	H	α-helix	trans	-74.6	-38.2	-172.9	-68.1	-179	0	0	0	112.9	C807	C807-L811 PolarHBondContact O-N 3.1Å; C807-L811 VanDerWaalsContact SG-CD1 3.55Å
812	W	90.8	Very high	89.4	Confident	92 Å²	92	58.4 Å²	58.4	35%	0.348	31%	0.313	S	S	.	.	H	α-helix	trans	-122.7	3.7	-173.9	-59.3	-76.3	0	0	0	114.5	A808 S814 K817 L820 A821	A808-W812 HydrophobicContact CB-CE3 4.07Å; A808-W812 HydrophobicContact CB-CZ3 4.34Å; A808-W812 WeakPolarHBondContact O-CA 3.2Å; A808-W812 PolarHBondContact O-N 3.2Å; W812-S814 PolarHBondContact O-N 3.04Å; W812-S814 VanDerWaalsContact O-N 3.09Å; W812-K817 HydrophobicContact CB-CB 4.45Å; W812-K817 HydrophobicContact CB-CD 3.61Å; W812-K817 HydrophobicContact CB-CG 4.41Å; W812-K817 HydrophobicContact CD2-CB 4.17Å; W812-K817 HydrophobicContact CD2-CD 3.85Å; W812-K817 HydrophobicContact CE3-CB 3.89Å; W812-K817 HydrophobicContact CE3-CD 4.42Å; W812-K817 HydrophobicContact CG-CB 4.43Å; W812-K817 HydrophobicContact CG-CD 3.45Å; W812-K817 VanDerWaalsContact CG-CD 3.45Å; W812-L820 HydrophobicContact CH2-CB 4.46Å; W812-A821 HydrophobicContact CH2-CB 4.35Å; W812-A821 HydrophobicContact CZ3-CB 3.7Å
813	K	87.3	Confident	89.4	Confident	195 Å²	195	60.5 Å²	60.5	85%	0.848	32%	0.321	S	S	*	.	S	Bend	trans	55.9	24.6	-178	-56.5	-179.6	-179.7	179	0	113.5	A808 S809	A808-K813 PolarHBondContact O-N 3.46Å; S809-K813 WeakPolarHBondContact O-CA 3.35Å; S809-K813 PolarHBondContact O-N 2.93Å
814	S	83.8	Confident	89.3	Confident	34 Å²	34	62.4 Å²	62.4	24%	0.238	34%	0.339	C	S	.	.			trans	-149.7	128.1	177.9	164.3	0	0	0	0	109.6	A808 W812 D816	A808-S814 CarbonylContact C-O 3.53Å; A808-S814 VanDerWaalsContact C-O 3.26Å; A808-S814 VanDerWaalsContact CB-O 3.3Å; A808-S814 WeakPolarHBondContact CB-O 3.47Å; W812-S814 PolarHBondContact O-N 3.04Å; W812-S814 VanDerWaalsContact O-N 3.09Å; S814-D816 PolarHBondContact O-N 3.35Å; S814-D816 WeakPolarHBondContact OG-CB 3.42Å; S814-D816 PolarHBondContact OG-N 3.41Å; S814-D816 PolarHBondContact OG-OD2 3.09Å
815	A	84.4	Confident	89.2	Confident	50 Å²	50	64.9 Å²	64.9	41%	0.413	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-71.7	-17.7	175.2	0	0	0	0	0	112.6	K817 A818	A815-K817 PolarHBondContact O-N 3.42Å; A815-K817 VanDerWaalsContact O-N 3.16Å; A815-A818 VanDerWaalsContact O-CB 3.24Å; A815-A818 WeakPolarHBondContact O-CB 3.46Å; A815-A818 PolarHBondContact O-N 2.98Å
816	D	85.9	Confident	89	Confident	144 Å²	144	63 Å²	63	77%	0.77	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-66.5	-18.9	-178.8	-51.3	-44.1	0	0	0	112.2	S814 A818 P819	S814-D816 PolarHBondContact O-N 3.35Å; S814-D816 WeakPolarHBondContact OG-CB 3.42Å; S814-D816 PolarHBondContact OG-N 3.41Å; S814-D816 PolarHBondContact OG-OD2 3.09Å; D816-A818 PolarHBondContact O-N 2.89Å; D816-P819 WeakPolarHBondContact O-CD 3.06Å
817	K	87.8	Confident	89.1	Confident	86 Å²	86	62.5 Å²	62.5	37%	0.374	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-85.1	13.9	173.1	-62.6	-163.1	-173.9	-178.9	0	113.9	A808 W812 A815 P819 L820 A821	A808-K817 HydrophobicContact CB-CB 4.27Å; W812-K817 HydrophobicContact CB-CB 4.45Å; W812-K817 HydrophobicContact CB-CD 3.61Å; W812-K817 HydrophobicContact CB-CG 4.41Å; W812-K817 HydrophobicContact CD2-CB 4.17Å; W812-K817 HydrophobicContact CD2-CD 3.85Å; W812-K817 HydrophobicContact CE3-CB 3.89Å; W812-K817 HydrophobicContact CE3-CD 4.42Å; W812-K817 HydrophobicContact CG-CB 4.43Å; W812-K817 HydrophobicContact CG-CD 3.45Å; W812-K817 VanDerWaalsContact CG-CD 3.45Å; A815-K817 PolarHBondContact O-N 3.42Å; A815-K817 VanDerWaalsContact O-N 3.16Å; K817-P819 VanDerWaalsContact C-N 3.26Å; K817-L820 HydrophobicContact CB-CD1 4.42Å; K817-L820 HydrophobicContact CD-CD1 4.2Å; K817-L820 HydrophobicContact CG-CD1 4.4Å; K817-L820 PolarHBondContact O-N 2.93Å; K817-L820 VanDerWaalsContact O-N 3.15Å; K817-A821 PolarHBondContact O-N 2.83Å
818	A	88.9	Confident	89.2	Confident	2 Å²	2	63.1 Å²	63.1	2%	0.017	34%	0.341	C	S	.	.	H	α-helix	trans	-52.5	-35.4	174.3	0	0	0	0	0	114.3	W635 P804 E805 A815 D816 A821 A822	W635-A818 HydrophobicContact CE3-CB 4.05Å; W635-A818 HydrophobicContact CH2-CB 3.64Å; W635-A818 HydrophobicContact CZ2-CB 4.22Å; W635-A818 HydrophobicContact CZ3-CB 3.56Å; P804-A818 HydrophobicContact CB-CB 4.29Å; E805-A818 HydrophobicContact CG-CB 3.97Å; A815-A818 VanDerWaalsContact O-CB 3.24Å; A815-A818 WeakPolarHBondContact O-CB 3.46Å; A815-A818 PolarHBondContact O-N 2.98Å; D816-A818 PolarHBondContact O-N 2.89Å; A818-A821 WeakPolarHBondContact O-CB 3.32Å; A818-A821 PolarHBondContact O-N 3.17Å; A818-A822 WeakPolarHBondContact O-CB 3.3Å; A818-A822 PolarHBondContact O-N 2.75Å
819	P	89.9	Confident	89.2	Confident	53 Å²	53	63.1 Å²	63.1	34%	0.344	34%	0.341	S	S	.	.	H	α-helix	trans	-61.5	-46.1	175.3	-24.6	34.7	0	0	0	113.4	W635 D816 K817 A821 A822 E823	W635-P819 HydrophobicContact CB-CB 4.04Å; W635-P819 HydrophobicContact CD2-CG 4.2Å; W635-P819 HydrophobicContact CG-CB 3.96Å; W635-P819 HydrophobicContact CG-CG 3.91Å; D816-P819 WeakPolarHBondContact O-CD 3.06Å; K817-P819 VanDerWaalsContact C-N 3.26Å; P819-A821 VanDerWaalsContact C-N 3.3Å; P819-A821 PolarHBondContact O-N 3.12Å; P819-A822 PolarHBondContact O-N 2.93Å; P819-E823 PolarHBondContact O-N 2.85Å
820	L	88.2	Confident	89.3	Confident	104 Å²	104	63.8 Å²	63.8	55%	0.545	34%	0.344	S	S	.	.	H	α-helix	trans	-64.1	-38.1	175.9	-64.6	171.4	0	0	0	111.6	W812 K817 A824	W812-L820 HydrophobicContact CH2-CB 4.46Å; K817-L820 HydrophobicContact CB-CD1 4.42Å; K817-L820 HydrophobicContact CD-CD1 4.2Å; K817-L820 HydrophobicContact CG-CD1 4.4Å; K817-L820 PolarHBondContact O-N 2.93Å; K817-L820 VanDerWaalsContact O-N 3.15Å; L820-A824 WeakPolarHBondContact O-CB 3.36Å; L820-A824 PolarHBondContact O-N 3.33Å; L820-A824 VanDerWaalsContact O-N 3.08Å
821	A	91	Very high	89.3	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-63.8	-45.1	176.1	0	0	0	0	0	111.7	P804 C807 A808 W812 K817 A818 P819 E823 A824 M825	P804-A821 HydrophobicContact CB-CB 4.39Å; P804-A821 VanDerWaalsContact O-CB 3.26Å; P804-A821 WeakPolarHBondContact O-CB 3.5Å; C807-A821 HydrophobicContact CB-CB 4.15Å; A808-A821 HydrophobicContact CB-CB 3.97Å; W812-A821 HydrophobicContact CH2-CB 4.35Å; W812-A821 HydrophobicContact CZ3-CB 3.7Å; K817-A821 PolarHBondContact O-N 2.83Å; A818-A821 WeakPolarHBondContact O-CB 3.32Å; A818-A821 PolarHBondContact O-N 3.17Å; P819-A821 VanDerWaalsContact C-N 3.3Å; P819-A821 PolarHBondContact O-N 3.12Å; A821-E823 VanDerWaalsContact C-N 3.33Å; A821-E823 PolarHBondContact O-N 3.34Å; A821-A824 PolarHBondContact O-N 3.17Å; A821-M825 HydrophobicContact CB-SD 4.48Å; A821-M825 VanDerWaalsContact O-CB 3.3Å; A821-M825 WeakPolarHBondContact O-CB 3.41Å; A821-M825 WeakPolarHBondContact O-CG 3.28Å; A821-M825 PolarHBondContact O-N 3.13Å
822	A	90.8	Very high	89.4	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-60.2	-43.6	-178.9	0	0	0	0	0	111.8	A634 W635 P804 A818 P819 G826 I827	A634-A822 HydrophobicContact CB-CB 4.1Å; W635-A822 HydrophobicContact CB-CB 4.15Å; W635-A822 HydrophobicContact CE3-CB 4.2Å; P804-A822 HydrophobicContact CB-CB 4Å; P804-A822 HydrophobicContact CG-CB 4.04Å; A818-A822 WeakPolarHBondContact O-CB 3.3Å; A818-A822 PolarHBondContact O-N 2.75Å; P819-A822 PolarHBondContact O-N 2.93Å; A822-G826 PolarHBondContact O-N 3.34Å; A822-I827 HydrophobicContact CB-CD1 4.39Å
823	E	89.1	Confident	89.5	Confident	104 Å²	104	58.9 Å²	58.9	49%	0.486	31%	0.314	S	S	.	.	H	α-helix	trans	-63.2	-51.4	175.2	-66.7	-59.6	161.2	0	0	111.5	G633 A634 P819 A821 M825 G826	G633-E823 WeakPolarHBondContact CA-OE1 3.38Å; A634-E823 HydrophobicContact CB-CG 4.34Å; A634-E823 WeakPolarHBondContact CB-OE1 3.21Å; A634-E823 PolarHBondContact N-OE1 3.08Å; P819-E823 PolarHBondContact O-N 2.85Å; A821-E823 VanDerWaalsContact C-N 3.33Å; A821-E823 PolarHBondContact O-N 3.34Å; E823-M825 PolarHBondContact O-N 3.36Å; E823-G826 PolarHBondContact O-N 3.4Å
824	A	88.4	Confident	89.7	Confident	80 Å²	80	55.9 Å²	55.9	66%	0.661	30%	0.303	S	S	*	.	H	α-helix	trans	-61.9	-29.6	-178.5	0	0	0	0	0	113.2	L820 A821	L820-A824 WeakPolarHBondContact O-CB 3.36Å; L820-A824 PolarHBondContact O-N 3.33Å; L820-A824 VanDerWaalsContact O-N 3.08Å; A821-A824 PolarHBondContact O-N 3.17Å
825	M	89.5	Confident	89.9	Confident	54 Å²	54	58.2 Å²	58.2	27%	0.266	31%	0.313	S	S	.	.	H	α-helix	trans	-80.9	-18.5	-179	-70.5	170.5	66.5	0	0	114	I802 C807 A821 E823 I827	I802-M825 HydrophobicContact CG2-CE 3.52Å; I802-M825 HydrophobicContact CG2-SD 4.35Å; I802-M825 VanDerWaalsContact O-CE 3.24Å; I802-M825 WeakPolarHBondContact O-CE 3.13Å; C807-M825 HydrophobicContact CB-CE 4.34Å; C807-M825 HydrophobicContact CB-CG 4.46Å; C807-M825 HydrophobicContact CB-SD 3.37Å; C807-M825 WeakPolarHBondContact CB-SD 3.33Å; C807-M825 VanDerWaalsContact SG-SD 3.64Å; A821-M825 HydrophobicContact CB-SD 4.48Å; A821-M825 VanDerWaalsContact O-CB 3.3Å; A821-M825 WeakPolarHBondContact O-CB 3.41Å; A821-M825 WeakPolarHBondContact O-CG 3.28Å; A821-M825 PolarHBondContact O-N 3.13Å; E823-M825 PolarHBondContact O-N 3.36Å; M825-I827 HydrophobicContact CB-CG2 3.58Å; M825-I827 HydrophobicContact CE-CG2 3.96Å; M825-I827 PolarHBondContact O-N 3.2Å
826	G	88.3	Confident	90.1	Very high	11 Å²	11	63.8 Å²	63.8	11%	0.113	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	37.3	176.9	0	0	0	0	0	114.9	A822 E823 I828	A822-G826 PolarHBondContact O-N 3.34Å; E823-G826 PolarHBondContact O-N 3.4Å; G826-I828 VanDerWaalsContact C-N 3.28Å; G826-I828 PolarHBondContact O-N 3.31Å
827	I	91.8	Very high	90.3	Very high	4 Å²	4	60 Å²	60	2%	0.021	31%	0.307	C	S	.	.			trans	-79.2	-0.6	-169	62.7	176.4	0	0	0	115.5	A638 T798 Y799 S800 P804 A822 M825 L832	A638-I827 HydrophobicContact CB-CD1 4.26Å; T798-I827 WeakPolarHBondContact CA-O 3.21Å; T798-I827 HydrophobicContact CG2-CD1 3.93Å; T798-I827 HydrophobicContact CG2-CG1 4.12Å; Y799-I827 PolarHBondContact N-O 3.28Å; Y799-I827 VanDerWaalsContact N-O 3.09Å; S800-I827 VanDerWaalsContact CB-CG2 3.48Å; P804-I827 HydrophobicContact CG-CD1 3.74Å; A822-I827 HydrophobicContact CB-CD1 4.39Å; M825-I827 HydrophobicContact CB-CG2 3.58Å; M825-I827 HydrophobicContact CE-CG2 3.96Å; M825-I827 PolarHBondContact O-N 3.2Å; I827-L832 WeakPolarHBondContact O-CD1 3.25Å
828	I	93.3	Very high	90.5	Very high	30 Å²	30	56.1 Å²	56.1	15%	0.154	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-91.9	154.4	-172.5	59.2	167.8	0	0	0	112.4	A634 I637 G826 R831 L832	A634-I828 HydrophobicContact CB-CG2 3.86Å; I637-I828 HydrophobicContact CB-CG2 3.89Å; I637-I828 HydrophobicContact CD1-CB 4.26Å; I637-I828 HydrophobicContact CD1-CD1 4.23Å; I637-I828 HydrophobicContact CD1-CG2 3.82Å; I637-I828 HydrophobicContact CG1-CG2 4.45Å; I637-I828 HydrophobicContact CG2-CG2 3.74Å; G826-I828 VanDerWaalsContact C-N 3.28Å; G826-I828 PolarHBondContact O-N 3.31Å; I828-R831 HydrophobicContact CG1-CB 4.05Å; I828-R831 PolarHBondContact O-N 3.16Å; I828-L832 WeakPolarHBondContact O-CG 3.25Å; I828-L832 PolarHBondContact O-N 2.76Å
829	A	93.5	Very high	90.7	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-53.2	-46.4	-174.2	0	0	0	0	0	114.7	M793 R831 L832 K833 I838 I841	M793-A829 HydrophobicContact CB-CB 4.27Å; M793-A829 HydrophobicContact CE-CB 4.06Å; M793-A829 HydrophobicContact CG-CB 3.88Å; M793-A829 HydrophobicContact SD-CB 3.88Å; A829-R831 PolarHBondContact O-N 3.18Å; A829-L832 PolarHBondContact O-N 3.21Å; A829-K833 WeakPolarHBondContact O-CB 3.27Å; A829-K833 PolarHBondContact O-N 2.84Å; A829-I838 HydrophobicContact CB-CD1 4.41Å; A829-I838 WeakPolarHBondContact O-CD1 3.43Å; A829-I841 HydrophobicContact CB-CD1 4.09Å; A829-I841 HydrophobicContact CB-CG1 4.04Å; A829-I841 HydrophobicContact CB-CG2 4.12Å
830	P	92.1	Very high	90.9	Very high	72 Å²	72	56.8 Å²	56.8	47%	0.468	29%	0.292	S	S	.	.	H	α-helix	trans	-58.7	-45.8	178.1	-25.5	35.6	0	0	0	113.2	K833 E834	P830-K833 PolarHBondContact O-N 3.37Å; P830-E834 PolarHBondContact O-N 3.43Å
831	R	91	Very high	91.3	Very high	102 Å²	102	54 Å²	54	39%	0.385	28%	0.277	S	S	.	.	H	α-helix	trans	-67.1	-41.8	-179.2	-176	56.8	176.5	170	1.2	111.9	I828 A829 K833 E834 L835	I828-R831 HydrophobicContact CG1-CB 4.05Å; I828-R831 PolarHBondContact O-N 3.16Å; A829-R831 PolarHBondContact O-N 3.18Å; R831-K833 VanDerWaalsContact C-N 3.3Å; R831-K833 PolarHBondContact O-N 3.43Å; R831-E834 WeakPolarHBondContact CD-OE2 3.39Å; R831-E834 IonicContact CZ-OE2 3.84Å; R831-E834 IonicContact NH1-OE1 3.81Å; R831-E834 PolarHBondContact NH1-OE1 3.28Å; R831-E834 IonicContact NH1-OE2 3.06Å; R831-E834 PolarHBondContact NH1-OE2 3.34Å; R831-E834 WeakPolarHBondContact O-CB 3.21Å; R831-E834 PolarHBondContact O-N 2.98Å; R831-L835 HydrophobicContact CG-CD1 4.36Å; R831-L835 WeakPolarHBondContact O-CG 3.38Å; R831-L835 PolarHBondContact O-N 3.47Å
832	L	91.9	Very high	91.5	Very high	12 Å²	12	54 Å²	54	6%	0.063	28%	0.278	C	S	.	.	H	α-helix	trans	-66.8	-31.4	177.4	-68	172.8	0	0	0	112.8	M793 I827 I828 A829 K836 L837 I838	M793-L832 HydrophobicContact CE-CD1 3.85Å; M793-L832 HydrophobicContact SD-CD1 3.59Å; M793-L832 VanDerWaalsContact SD-CD1 3.59Å; I827-L832 WeakPolarHBondContact O-CD1 3.25Å; I828-L832 WeakPolarHBondContact O-CG 3.25Å; I828-L832 PolarHBondContact O-N 2.76Å; A829-L832 PolarHBondContact O-N 3.21Å; L832-K836 PolarHBondContact O-N 3.24Å; L832-L837 HydrophobicContact CD2-CD1 3.76Å; L832-L837 PolarHBondContact O-N 3.41Å; L832-I838 HydrophobicContact CB-CD1 4.31Å; L832-I838 HydrophobicContact CB-CG1 4.24Å; L832-I838 HydrophobicContact CB-CG2 4.41Å
833	K	92.9	Very high	91.7	Very high	100 Å²	100	58 Å²	58	44%	0.435	30%	0.303	S	S	.	.	H	α-helix	trans	-70	-42	173	-169.3	180	-171.3	175.8	0	111.7	A829 P830 R831 L835 K836 I838 I841	A829-K833 WeakPolarHBondContact O-CB 3.27Å; A829-K833 PolarHBondContact O-N 2.84Å; P830-K833 PolarHBondContact O-N 3.37Å; R831-K833 VanDerWaalsContact C-N 3.3Å; R831-K833 PolarHBondContact O-N 3.43Å; K833-L835 VanDerWaalsContact C-N 3.27Å; K833-L835 PolarHBondContact O-N 2.86Å; K833-K836 WeakPolarHBondContact O-CA 3.37Å; K833-K836 PolarHBondContact O-N 2.95Å; K833-I838 HydrophobicContact CB-CD1 4.09Å; K833-I838 HydrophobicContact CB-CG1 3.88Å; K833-I838 HydrophobicContact CG-CG1 4.46Å; K833-I841 HydrophobicContact CB-CD1 4.01Å; K833-I841 HydrophobicContact CB-CG1 4.39Å; K833-I841 HydrophobicContact CD-CD1 3.78Å; K833-I841 HydrophobicContact CD-CG1 3.98Å
834	E	90.6	Very high	91.8	Very high	131 Å²	131	53.7 Å²	53.7	61%	0.612	28%	0.283	S	S	*	.	H	α-helix	trans	-58.3	-41.3	174.3	-168.2	-165.4	158.9	0	0	111.4	P830 R831 K836	P830-E834 PolarHBondContact O-N 3.43Å; R831-E834 WeakPolarHBondContact CD-OE2 3.39Å; R831-E834 IonicContact CZ-OE2 3.84Å; R831-E834 IonicContact NH1-OE1 3.81Å; R831-E834 PolarHBondContact NH1-OE1 3.28Å; R831-E834 IonicContact NH1-OE2 3.06Å; R831-E834 PolarHBondContact NH1-OE2 3.34Å; R831-E834 WeakPolarHBondContact O-CB 3.21Å; R831-E834 PolarHBondContact O-N 2.98Å; E834-K836 PolarHBondContact O-N 3.47Å
835	L	88.6	Confident	92	Very high	84 Å²	84	51 Å²	51	44%	0.44	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	1.6	174.1	-64	174.6	0	0	0	114	R831 K833 L837	R831-L835 HydrophobicContact CG-CD1 4.36Å; R831-L835 WeakPolarHBondContact O-CG 3.38Å; R831-L835 PolarHBondContact O-N 3.47Å; K833-L835 VanDerWaalsContact C-N 3.27Å; K833-L835 PolarHBondContact O-N 2.86Å; L835-L837 HydrophobicContact CB-CD1 4.09Å; L835-L837 HydrophobicContact CB-CG 4.05Å; L835-L837 HydrophobicContact CD1-CD1 4.34Å; L835-L837 PolarHBondContact O-N 3.09Å
836	K	89.2	Confident	91.7	Very high	167 Å²	167	52.1 Å²	52.1	73%	0.726	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	25	-178.3	-56.9	178.4	179.9	174.9	0	114.5	L832 K833 E834 Y890	L832-K836 PolarHBondContact O-N 3.24Å; K833-K836 WeakPolarHBondContact O-CA 3.37Å; K833-K836 PolarHBondContact O-N 2.95Å; E834-K836 PolarHBondContact O-N 3.47Å; K836-Y890 WeakPolarHBondContact O-CE1 3.39Å
837	L	88.6	Confident	91.3	Very high	64 Å²	64	51.6 Å²	51.6	34%	0.335	26%	0.26	S	S	.	.	S	Bend	trans	-82	-24.6	178.2	-64	175	0	0	0	112.2	L832 L835 R886 Y890	L832-L837 HydrophobicContact CD2-CD1 3.76Å; L832-L837 PolarHBondContact O-N 3.41Å; L835-L837 HydrophobicContact CB-CD1 4.09Å; L835-L837 HydrophobicContact CB-CG 4.05Å; L835-L837 HydrophobicContact CD1-CD1 4.34Å; L835-L837 PolarHBondContact O-N 3.09Å; L837-R886 PolarHBondContact O-NH2 3.1Å; L837-Y890 HydrophobicContact CD2-CD1 4.04Å; L837-Y890 HydrophobicContact CD2-CE1 4.09Å; L837-Y890 HydrophobicContact CD2-CG 4.26Å; L837-Y890 PolarHBondContact O-OH 3.34Å
838	I	92.8	Very high	91.1	Very high	5 Å²	5	51.4 Å²	51.4	3%	0.026	26%	0.259	C	S	.	.			trans	-123.4	156.5	173.9	65.7	169.2	0	0	0	110.6	V791 M793 A829 L832 K833 I841	V791-I838 HydrophobicContact CG1-CG2 3.97Å; V791-I838 WeakPolarHBondContact O-CB 3.46Å; M793-I838 HydrophobicContact CB-CD1 3.58Å; M793-I838 HydrophobicContact CB-CG2 4.47Å; M793-I838 HydrophobicContact CG-CD1 4.35Å; M793-I838 HydrophobicContact SD-CD1 4.01Å; M793-I838 HydrophobicContact SD-CG2 4.37Å; A829-I838 HydrophobicContact CB-CD1 4.41Å; A829-I838 WeakPolarHBondContact O-CD1 3.43Å; L832-I838 HydrophobicContact CB-CD1 4.31Å; L832-I838 HydrophobicContact CB-CG1 4.24Å; L832-I838 HydrophobicContact CB-CG2 4.41Å; K833-I838 HydrophobicContact CB-CD1 4.09Å; K833-I838 HydrophobicContact CB-CG1 3.88Å; K833-I838 HydrophobicContact CG-CG1 4.46Å; I838-I841 HydrophobicContact CD1-CG1 3.93Å
839	D	92.8	Very high	91	Very high	46 Å²	46	50 Å²	50	25%	0.246	25%	0.252	C	S	.	.	S	Bend	trans	-91.2	-47.2	-178.9	-58.7	-86.7	0	0	0	112.1	K790 V791 R886	K790-D839 WeakPolarHBondContact CA-OD2 3.43Å; K790-D839 HydrophobicContact CD-CB 4.04Å; V791-D839 PolarHBondContact N-OD2 2.97Å; V791-D839 PolarHBondContact O-N 3.13Å; D839-R886 IonicContact OD1-CZ 2.8Å; D839-R886 IonicContact OD1-NH1 3.81Å; D839-R886 IonicContact OD1-NH2 3.17Å; D839-R886 IonicContact OD2-CZ 2.65Å; D839-R886 IonicContact OD2-NH1 2.84Å; D839-R886 PolarHBondContact OD2-NH1 3.03Å; D839-R886 IonicContact OD2-NH2 3.99Å; D839-R886 PolarHBondContact OD2-NH2 3.35Å
840	S	94.9	Very high	90.7	Very high	22 Å²	22	51.8 Å²	51.8	15%	0.154	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	144.8	-171.8	-56.4	0	0	0	0	112.1	N792 M793	N792-S840 WeakPolarHBondContact CA-O 3.32Å; N792-S840 WeakPolarHBondContact OD1-CB 3.46Å; M793-S840 PolarHBondContact N-O 3.48Å
841	I	96.3	Very high	90.4	Very high	45 Å²	45	52.7 Å²	52.7	23%	0.231	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	121.7	170	-58.7	171.3	0	0	0	106.6	M793 Q795 A829 K833 I838	M793-I841 CarbonylContact O-C 3.58Å; M793-I841 VanDerWaalsContact O-CA 3.32Å; M793-I841 WeakPolarHBondContact O-CA 3.21Å; Q795-I841 HydrophobicContact CB-CG2 4.18Å; A829-I841 HydrophobicContact CB-CD1 4.09Å; A829-I841 HydrophobicContact CB-CG1 4.04Å; A829-I841 HydrophobicContact CB-CG2 4.12Å; K833-I841 HydrophobicContact CB-CD1 4.01Å; K833-I841 HydrophobicContact CB-CG1 4.39Å; K833-I841 HydrophobicContact CD-CD1 3.78Å; K833-I841 HydrophobicContact CD-CG1 3.98Å; I838-I841 HydrophobicContact CD1-CG1 3.93Å
842	I	95.9	Very high	90.3	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.01	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	116.9	177.5	-49.7	-178.4	0	0	0	107.2	T772 N792 M793 L794 Q795 E844 M856 L860 Q863	T772-I842 HydrophobicContact CG2-CD1 4.13Å; N792-I842 HydrophobicContact CB-CD1 4.11Å; N792-I842 HydrophobicContact CB-CG1 4.41Å; M793-I842 PolarHBondContact O-N 2.76Å; L794-I842 HydrophobicContact CD2-CB 3.66Å; L794-I842 HydrophobicContact CD2-CD1 3.94Å; L794-I842 HydrophobicContact CD2-CG1 4.21Å; L794-I842 HydrophobicContact CD2-CG2 4.08Å; Q795-I842 PolarHBondContact N-O 2.82Å; I842-E844 PolarHBondContact O-N 3.24Å; I842-M856 HydrophobicContact CB-CE 4.37Å; I842-M856 HydrophobicContact CG2-CE 3.55Å; I842-L860 HydrophobicContact CD1-CD1 3.64Å; I842-Q863 HydrophobicContact CD1-CB 3.84Å; I842-Q863 HydrophobicContact CD1-CG 3.81Å; I842-Q863 HydrophobicContact CG1-CB 4.15Å; I842-Q863 HydrophobicContact CG1-CG 3.91Å
843	P	93.4	Very high	90.3	Very high	82 Å²	82	52.9 Å²	52.9	53%	0.532	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-63.5	137.1	-178.3	26.3	-33.6	0	0	0	110.5
844	E	92.9	Very high	90.3	Very high	15 Å²	15	54.9 Å²	54.9	7%	0.07	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-92	152.2	176	-67.6	-171.6	-143.1	0	0	110.7	R646 L794 Q795 Y796 I842 A849 M856	R646-E844 IonicContact CZ-OE1 2.7Å; R646-E844 IonicContact CZ-OE2 3.89Å; R646-E844 IonicContact NH1-OE1 3.97Å; R646-E844 PolarHBondContact NH1-OE1 3.19Å; R646-E844 IonicContact NH1-OE2 3.67Å; R646-E844 PolarHBondContact NH1-OE2 3.04Å; R646-E844 IonicContact NH2-OE1 2.76Å; R646-E844 PolarHBondContact NH2-OE1 3.39Å; R646-E844 IonicContact NH2-OE2 3.63Å; R646-E844 PolarHBondContact NH2-OE2 2.91Å; L794-E844 HydrophobicContact CB-CG 4.2Å; L794-E844 WeakPolarHBondContact CB-OE1 3.28Å; Q795-E844 HydrophobicContact CB-CB 4.31Å; Q795-E844 HydrophobicContact CB-CG 3.97Å; Q795-E844 PolarHBondContact N-OE1 3.25Å; Y796-E844 WeakPolarHBondContact CA-OE1 3.45Å; Y796-E844 WeakPolarHBondContact CB-OE1 3.08Å; Y796-E844 HydrophobicContact CD2-CB 3.78Å; Y796-E844 VanDerWaalsContact CD2-CD 3.47Å; Y796-E844 HydrophobicContact CD2-CG 4.05Å; Y796-E844 WeakPolarHBondContact CD2-OE2 3.5Å; Y796-E844 HydrophobicContact CE2-CB 3.82Å; Y796-E844 PolarHBondContact N-OE1 3.11Å; I842-E844 PolarHBondContact O-N 3.24Å; E844-A849 HydrophobicContact CG-CB 4.47Å; E844-A849 VanDerWaalsContact OE2-CB 3.24Å; E844-A849 WeakPolarHBondContact OE2-CB 3.37Å; E844-A849 PolarHBondContact OE2-N 2.93Å; E844-M856 HydrophobicContact CB-SD 4.15Å; E844-M856 HydrophobicContact CG-SD 3.67Å
845	P	90.6	Very high	90.4	Very high	23 Å²	23	50.3 Å²	50.3	15%	0.149	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-54.1	156.5	170.6	-24.2	33.3	0	0	0	112.1	G847 G848 N852 A855 M856	P845-G847 PolarHBondContact O-N 3.1Å; P845-G847 VanDerWaalsContact O-N 3.13Å; P845-G848 WeakPolarHBondContact O-CA 3.37Å; P845-G848 PolarHBondContact O-N 3.32Å; P845-N852 HydrophobicContact CB-CB 4.02Å; P845-N852 HydrophobicContact CG-CB 4.14Å; P845-A855 HydrophobicContact CG-CB 3.99Å; P845-M856 HydrophobicContact CG-CB 4.15Å
846	L	83.7	Confident	90.7	Very high	78 Å²	78	46.3 Å²	46.3	41%	0.408	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	122	177.6	-174.4	69.4	0	0	0	110.6	V622 T625 R626	V622-L846 HydrophobicContact CG1-CD2 3.82Å; T625-L846 HydrophobicContact CG2-CD1 4.3Å; T625-L846 HydrophobicContact CG2-CD2 4.45Å; T625-L846 HydrophobicContact CG2-CG 3.96Å; R626-L846 HydrophobicContact CB-CD1 4.18Å
847	G	80.9	Confident	90.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	2.9	-175.2	0	0	0	0	0	115.5	F629 P845 H850	F629-G847 VanDerWaalsContact CE1-CA 3.47Å; F629-G847 WeakPolarHBondContact CE1-O 3.47Å; F629-G847 VanDerWaalsContact CZ-C 3.42Å; F629-G847 WeakPolarHBondContact CZ-O 3.12Å; P845-G847 PolarHBondContact O-N 3.1Å; P845-G847 VanDerWaalsContact O-N 3.13Å; G847-H850 PolarHBondContact O-CE1 3.35Å; G847-H850 PolarHBondContact O-NE2 3.24Å
848	G	87.4	Confident	91.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.214	C	C	.	.			trans	98.2	166.4	174.8	0	0	0	0	0	114.9	P845 H850 R851	P845-G848 WeakPolarHBondContact O-CA 3.37Å; P845-G848 PolarHBondContact O-N 3.32Å; G848-H850 PolarHBondContact O-N 2.91Å; G848-H850 VanDerWaalsContact O-N 3.12Å; G848-R851 PolarHBondContact O-N 3.23Å
849	A	90.1	Very high	91.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-28.9	-174.8	0	0	0	0	0	114.5	P647 E844 R851 N852 M856	P647-A849 HydrophobicContact CG-CB 4.49Å; E844-A849 HydrophobicContact CG-CB 4.47Å; E844-A849 VanDerWaalsContact OE2-CB 3.24Å; E844-A849 WeakPolarHBondContact OE2-CB 3.37Å; E844-A849 PolarHBondContact OE2-N 2.93Å; A849-R851 VanDerWaalsContact C-N 3.27Å; A849-R851 PolarHBondContact O-N 2.69Å; A849-N852 CarbonylContact O-C 3.58Å; A849-M856 HydrophobicContact CB-CB 4.26Å; A849-M856 HydrophobicContact CB-CG 3.7Å; A849-M856 HydrophobicContact CB-SD 4Å
850	H	88.5	Confident	91.4	Very high	38 Å²	38	38 Å²	38	18%	0.176	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-21.3	179.9	62.9	-88.4	0	0	0	113.2	H643 Q645 G847 G848	H643-H850 AromaticContact CE1-CD2 3.63Å; H643-H850 AromaticContact CE1-CG 3.8Å; H643-H850 AromaticContact ND1-CD2 3.88Å; H643-H850 AromaticContact ND1-CG 3.55Å; H643-H850 AromaticContact NE2-CD2 4Å; Q645-H850 HydrophobicContact CB-CB 4.07Å; G847-H850 PolarHBondContact O-CE1 3.35Å; G847-H850 PolarHBondContact O-NE2 3.24Å; G848-H850 PolarHBondContact O-N 2.91Å; G848-H850 VanDerWaalsContact O-N 3.12Å
851	R	84.6	Confident	91.4	Very high	90 Å²	90	39.8 Å²	39.8	34%	0.34	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-33.7	179.5	-69.4	-156.3	179.6	-169.4	-6.6	113.4	G848 A849	G848-R851 PolarHBondContact O-N 3.23Å; A849-R851 VanDerWaalsContact C-N 3.27Å; A849-R851 PolarHBondContact O-N 2.69Å
852	N	90	Very high	91.3	Very high	71 Å²	71	40.5 Å²	40.5	38%	0.38	23%	0.234	S	C	.	.			trans	-141.9	79.8	177.8	-167.2	-21.4	0	0	0	111.1	P845 A849 E854 A855 M856	P845-N852 HydrophobicContact CB-CB 4.02Å; P845-N852 HydrophobicContact CG-CB 4.14Å; A849-N852 CarbonylContact O-C 3.58Å; N852-E854 PolarHBondContact O-N 3.1Å; N852-E854 PolarHBondContact OD1-N 3.33Å; N852-A855 HydrophobicContact CB-CB 4.14Å; N852-A855 VanDerWaalsContact CG-CB 3.44Å; N852-A855 PolarHBondContact O-N 3.46Å; N852-A855 WeakPolarHBondContact OD1-CB 3.21Å; N852-A855 PolarHBondContact OD1-N 2.81Å; N852-M856 PolarHBondContact O-N 3.44Å
853	P	90.9	Very high	91.3	Very high	47 Å²	47	42.6 Å²	42.6	31%	0.305	24%	0.244	S	C	.	.	H	α-helix	trans	-58.6	-33.2	-179.9	-27.1	36.7	0	0	0	113.8	P647 L655 A857	P647-P853 HydrophobicContact CG-CB 3.79Å; P647-P853 HydrophobicContact CG-CG 4.06Å; L655-P853 HydrophobicContact CD1-CB 4.07Å; P853-A857 VanDerWaalsContact O-CB 3.28Å; P853-A857 WeakPolarHBondContact O-CB 3.21Å; P853-A857 PolarHBondContact O-N 2.96Å
854	E	92.4	Very high	91.5	Very high	143 Å²	143	38.7 Å²	38.7	67%	0.668	22%	0.218	S	C	*	.	H	α-helix	trans	-68.2	-48.5	-179.9	-65.5	179.2	-179.4	0	0	111.6	L655 N852 M856 A857 A858	L655-E854 HydrophobicContact CD2-CG 4.2Å; N852-E854 PolarHBondContact O-N 3.1Å; N852-E854 PolarHBondContact OD1-N 3.33Å; E854-M856 VanDerWaalsContact C-N 3.3Å; E854-M856 PolarHBondContact O-N 3.43Å; E854-A857 PolarHBondContact O-N 3.15Å; E854-A858 PolarHBondContact O-N 3.42Å
855	A	93	Very high	91.6	Very high	35 Å²	35	40.8 Å²	40.8	29%	0.289	23%	0.23	S	C	.	.	H	α-helix	trans	-64	-36.7	175.9	0	0	0	0	0	112.1	P845 N852 A858 S859	P845-A855 HydrophobicContact CG-CB 3.99Å; N852-A855 HydrophobicContact CB-CB 4.14Å; N852-A855 VanDerWaalsContact CG-CB 3.44Å; N852-A855 PolarHBondContact O-N 3.46Å; N852-A855 WeakPolarHBondContact OD1-CB 3.21Å; N852-A855 PolarHBondContact OD1-N 2.81Å; A855-A858 PolarHBondContact O-N 3.36Å; A855-S859 PolarHBondContact O-N 3.2Å; A855-S859 PolarHBondContact O-OG 3.48Å
856	M	95	Very high	91.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.3	-45.9	173.5	-173.2	66.8	-108.8	0	0	111.3	Y652 L794 I842 E844 P845 A849 N852 E854 A858 S859 L860	Y652-M856 HydrophobicContact CE1-CB 4.46Å; Y652-M856 HydrophobicContact CE1-CG 3.86Å; Y652-M856 WeakPolarHBondContact OH-CG 3.4Å; L794-M856 HydrophobicContact CD1-CE 4.26Å; L794-M856 HydrophobicContact CD1-CG 4.4Å; L794-M856 HydrophobicContact CD1-SD 4.16Å; L794-M856 HydrophobicContact CD2-CE 3.46Å; L794-M856 VanDerWaalsContact CD2-CE 3.46Å; L794-M856 HydrophobicContact CD2-SD 4.32Å; L794-M856 HydrophobicContact CG-CE 4.44Å; I842-M856 HydrophobicContact CB-CE 4.37Å; I842-M856 HydrophobicContact CG2-CE 3.55Å; E844-M856 HydrophobicContact CB-SD 4.15Å; E844-M856 HydrophobicContact CG-SD 3.67Å; P845-M856 HydrophobicContact CG-CB 4.15Å; A849-M856 HydrophobicContact CB-CB 4.26Å; A849-M856 HydrophobicContact CB-CG 3.7Å; A849-M856 HydrophobicContact CB-SD 4Å; N852-M856 PolarHBondContact O-N 3.44Å; E854-M856 VanDerWaalsContact C-N 3.3Å; E854-M856 PolarHBondContact O-N 3.43Å; M856-A858 VanDerWaalsContact C-N 3.31Å; M856-A858 PolarHBondContact O-N 3.1Å; M856-S859 PolarHBondContact O-N 3.3Å; M856-L860 WeakPolarHBondContact O-CB 3.35Å; M856-L860 PolarHBondContact O-N 3.01Å
857	A	94.3	Very high	92.3	Very high	2 Å²	2	38.7 Å²	38.7	2%	0.017	23%	0.225	C	C	.	.	H	α-helix	trans	-62.5	-37.5	177.4	0	0	0	0	0	112.3	Y652 L655 P853 E854 L860 K861	Y652-A857 HydrophobicContact CD1-CB 4.14Å; L655-A857 HydrophobicContact CB-CB 3.46Å; L655-A857 VanDerWaalsContact CB-CB 3.46Å; L655-A857 HydrophobicContact CD1-CB 3.98Å; L655-A857 HydrophobicContact CG-CB 4.37Å; P853-A857 VanDerWaalsContact O-CB 3.28Å; P853-A857 WeakPolarHBondContact O-CB 3.21Å; P853-A857 PolarHBondContact O-N 2.96Å; E854-A857 PolarHBondContact O-N 3.15Å; A857-L860 PolarHBondContact O-N 3.23Å; A857-K861 VanDerWaalsContact O-CB 3.31Å; A857-K861 WeakPolarHBondContact O-CB 3.47Å; A857-K861 PolarHBondContact O-N 2.82Å
858	A	94.1	Very high	93	Very high	60 Å²	60	38.9 Å²	38.9	50%	0.496	23%	0.226	S	C	.	.	H	α-helix	trans	-64.1	-44.4	174.3	0	0	0	0	0	112.1	E854 A855 M856 K861 A862	E854-A858 PolarHBondContact O-N 3.42Å; A855-A858 PolarHBondContact O-N 3.36Å; M856-A858 VanDerWaalsContact C-N 3.31Å; M856-A858 PolarHBondContact O-N 3.1Å; A858-K861 PolarHBondContact O-N 3.41Å; A858-A862 WeakPolarHBondContact O-CB 3.05Å; A858-A862 PolarHBondContact O-N 3.02Å
859	S	94.6	Very high	93.2	Very high	46 Å²	46	41.7 Å²	41.7	32%	0.322	25%	0.249	S	C	.	.	H	α-helix	trans	-65.1	-40.5	177.3	-56	0	0	0	0	111.6	A855 M856 A862 Q863	A855-S859 PolarHBondContact O-N 3.2Å; A855-S859 PolarHBondContact O-OG 3.48Å; M856-S859 PolarHBondContact O-N 3.3Å; S859-A862 PolarHBondContact O-N 2.91Å; S859-Q863 PolarHBondContact O-N 2.78Å; S859-Q863 VanDerWaalsContact O-N 3.11Å
860	L	95.4	Very high	93.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.6	-48.7	172.9	179.2	67.6	0	0	0	111.4	Y652 F734 T772 I842 M856 A857 A862 Q863 L864	Y652-L860 HydrophobicContact CD1-CD2 3.44Å; Y652-L860 VanDerWaalsContact CD1-CD2 3.44Å; Y652-L860 HydrophobicContact CD2-CD2 4.31Å; Y652-L860 HydrophobicContact CE1-CD2 3.95Å; Y652-L860 HydrophobicContact CG-CD2 3.65Å; F734-L860 HydrophobicContact CE1-CD1 4.21Å; F734-L860 HydrophobicContact CE1-CD2 3.76Å; F734-L860 HydrophobicContact CE1-CG 4.4Å; F734-L860 HydrophobicContact CZ-CD2 4.06Å; T772-L860 HydrophobicContact CG2-CD1 3.82Å; I842-L860 HydrophobicContact CD1-CD1 3.64Å; M856-L860 WeakPolarHBondContact O-CB 3.35Å; M856-L860 PolarHBondContact O-N 3.01Å; A857-L860 PolarHBondContact O-N 3.23Å; L860-A862 VanDerWaalsContact C-N 3.33Å; L860-A862 PolarHBondContact O-N 3.45Å; L860-Q863 PolarHBondContact O-N 3.44Å; L860-L864 HydrophobicContact CD1-CD1 4.3Å; L860-L864 HydrophobicContact CD1-CG 4.33Å; L860-L864 HydrophobicContact CG-CD1 4Å; L860-L864 HydrophobicContact CG-CG 4.42Å; L860-L864 VanDerWaalsContact O-CG 3.29Å; L860-L864 WeakPolarHBondContact O-CG 3.23Å; L860-L864 PolarHBondContact O-N 3.19Å
861	K	95.2	Very high	93.6	Very high	58 Å²	58	43 Å²	43	25%	0.252	26%	0.258	S	S	.	.	H	α-helix	trans	-57.3	-45.7	178.1	-176	174	-178.6	171.2	0	111.4	A656 L682 A857 A858 Q863 L864 L865	A656-K861 HydrophobicContact CB-CB 4.12Å; L682-K861 HydrophobicContact CD1-CD 4.49Å; L682-K861 HydrophobicContact CD1-CG 3.95Å; A857-K861 VanDerWaalsContact O-CB 3.31Å; A857-K861 WeakPolarHBondContact O-CB 3.47Å; A857-K861 PolarHBondContact O-N 2.82Å; A858-K861 PolarHBondContact O-N 3.41Å; K861-Q863 PolarHBondContact O-N 3.3Å; K861-L864 PolarHBondContact O-N 2.83Å; K861-L865 HydrophobicContact CG-CD1 4.21Å; K861-L865 WeakPolarHBondContact O-CG 3.39Å; K861-L865 PolarHBondContact O-N 3.28Å
862	A	95.4	Very high	93.8	Very high	60 Å²	60	42.7 Å²	42.7	50%	0.496	26%	0.263	S	S	.	.	H	α-helix	trans	-60.3	-44.6	177.9	0	0	0	0	0	112.1	A858 S859 L860 L865 A866	A858-A862 WeakPolarHBondContact O-CB 3.05Å; A858-A862 PolarHBondContact O-N 3.02Å; S859-A862 PolarHBondContact O-N 2.91Å; L860-A862 VanDerWaalsContact C-N 3.33Å; L860-A862 PolarHBondContact O-N 3.45Å; A862-L865 PolarHBondContact O-N 3.13Å; A862-A866 PolarHBondContact O-N 2.95Å; A862-A866 VanDerWaalsContact O-N 3.09Å
863	Q	95.9	Very high	93.8	Very high	47 Å²	47	45.4 Å²	45.4	22%	0.22	28%	0.282	C	S	.	.	H	α-helix	trans	-64.6	-44.3	176.9	-174.8	62.2	45.9	0	0	112	I842 S859 L860 K861 L865 A866 D867	I842-Q863 HydrophobicContact CD1-CB 3.84Å; I842-Q863 HydrophobicContact CD1-CG 3.81Å; I842-Q863 HydrophobicContact CG1-CB 4.15Å; I842-Q863 HydrophobicContact CG1-CG 3.91Å; S859-Q863 PolarHBondContact O-N 2.78Å; S859-Q863 VanDerWaalsContact O-N 3.11Å; L860-Q863 PolarHBondContact O-N 3.44Å; K861-Q863 PolarHBondContact O-N 3.3Å; Q863-L865 VanDerWaalsContact C-N 3.33Å; Q863-L865 PolarHBondContact O-N 3.23Å; Q863-A866 PolarHBondContact O-N 3.41Å; Q863-D867 VanDerWaalsContact NE2-CG 3.33Å; Q863-D867 PolarHBondContact NE2-OD1 3.28Å; Q863-D867 PolarHBondContact NE2-OD2 3.43Å; Q863-D867 PolarHBondContact O-N 3.28Å
864	L	95.7	Very high	93.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.9	-40.1	179.5	-69	174	0	0	0	112.3	F657 L682 I732 F734 I770 L860 K861 D867 L868	F657-L864 HydrophobicContact CE2-CD1 4.46Å; F657-L864 HydrophobicContact CZ-CD1 3.79Å; L682-L864 HydrophobicContact CD2-CB 4.06Å; I732-L864 HydrophobicContact CD1-CD1 4.4Å; I732-L864 HydrophobicContact CG2-CD1 4.19Å; I732-L864 HydrophobicContact CG2-CD2 3.95Å; F734-L864 HydrophobicContact CE1-CD1 4.47Å; F734-L864 HydrophobicContact CZ-CD1 4.2Å; I770-L864 HydrophobicContact CG2-CD2 3.78Å; L860-L864 HydrophobicContact CD1-CD1 4.3Å; L860-L864 HydrophobicContact CD1-CG 4.33Å; L860-L864 HydrophobicContact CG-CD1 4Å; L860-L864 HydrophobicContact CG-CG 4.42Å; L860-L864 VanDerWaalsContact O-CG 3.29Å; L860-L864 WeakPolarHBondContact O-CG 3.23Å; L860-L864 PolarHBondContact O-N 3.19Å; K861-L864 PolarHBondContact O-N 2.83Å; L864-D867 PolarHBondContact O-N 3.4Å; L864-L868 WeakPolarHBondContact O-CB 3.32Å; L864-L868 WeakPolarHBondContact O-CG 3.36Å; L864-L868 PolarHBondContact O-N 3.21Å
865	L	95.6	Very high	93.6	Very high	58 Å²	58	41.5 Å²	41.5	30%	0.304	27%	0.267	S	S	.	.	H	α-helix	trans	-65.4	-42.2	175.1	-72.4	171.8	0	0	0	111.8	L682 D683 K861 A862 Q863 L868 A869	L682-L865 HydrophobicContact CD2-CD2 4.1Å; L682-L865 HydrophobicContact CD2-CG 4.49Å; L682-L865 HydrophobicContact CG-CD2 3.96Å; L682-L865 HydrophobicContact CG-CG 4.5Å; D683-L865 HydrophobicContact CB-CD2 3.96Å; K861-L865 HydrophobicContact CG-CD1 4.21Å; K861-L865 WeakPolarHBondContact O-CG 3.39Å; K861-L865 PolarHBondContact O-N 3.28Å; A862-L865 PolarHBondContact O-N 3.13Å; Q863-L865 VanDerWaalsContact C-N 3.33Å; Q863-L865 PolarHBondContact O-N 3.23Å; L865-L868 PolarHBondContact O-N 3.04Å; L865-A869 WeakPolarHBondContact O-CB 3.21Å; L865-A869 PolarHBondContact O-N 3.33Å
866	A	95.2	Very high	93.5	Very high	53 Å²	53	43.5 Å²	43.5	44%	0.438	28%	0.275	S	S	.	.	H	α-helix	trans	-63.6	-42.5	176.6	0	0	0	0	0	112	A862 Q863 A869 D870	A862-A866 PolarHBondContact O-N 2.95Å; A862-A866 VanDerWaalsContact O-N 3.09Å; Q863-A866 PolarHBondContact O-N 3.41Å; A866-A869 PolarHBondContact O-N 3.09Å; A866-D870 PolarHBondContact O-N 3.38Å
867	D	95.1	Very high	93.2	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.021	31%	0.306	C	S	.	.	H	α-helix	trans	-68	-39.4	177.9	-70.7	-33.3	0	0	0	112.1	I770 K790 N792 Q863 L864 A869 D870 L871	I770-D867 HydrophobicContact CD1-CB 3.62Å; I770-D867 HydrophobicContact CG1-CB 4.18Å; K790-D867 HydrophobicContact CG-CB 4.34Å; N792-D867 PolarHBondContact ND2-OD2 3.44Å; N792-D867 PolarHBondContact OD1-OD2 3.05Å; Q863-D867 VanDerWaalsContact NE2-CG 3.33Å; Q863-D867 PolarHBondContact NE2-OD1 3.28Å; Q863-D867 PolarHBondContact NE2-OD2 3.43Å; Q863-D867 PolarHBondContact O-N 3.28Å; L864-D867 PolarHBondContact O-N 3.4Å; D867-A869 VanDerWaalsContact C-N 3.33Å; D867-D870 PolarHBondContact O-N 3.33Å; D867-L871 VanDerWaalsContact O-CG 3.25Å; D867-L871 WeakPolarHBondContact O-CG 3.14Å; D867-L871 PolarHBondContact O-N 3.42Å
868	L	94	Very high	93.1	Very high	4 Å²	4	54 Å²	54	2%	0.021	33%	0.326	C	S	.	.	H	α-helix	trans	-63.5	-40.8	173.9	-76.2	176.1	0	0	0	111.6	L682 P730 P768 I770 L864 L865 L871 D872	L682-L868 HydrophobicContact CD2-CD1 3.73Å; P730-L868 HydrophobicContact CB-CD2 3.62Å; P730-L868 HydrophobicContact CG-CD2 3.97Å; P768-L868 HydrophobicContact CB-CD2 4.42Å; I770-L868 HydrophobicContact CD1-CD2 3.62Å; I770-L868 HydrophobicContact CD1-CG 3.63Å; L864-L868 WeakPolarHBondContact O-CB 3.32Å; L864-L868 WeakPolarHBondContact O-CG 3.36Å; L864-L868 PolarHBondContact O-N 3.21Å; L865-L868 PolarHBondContact O-N 3.04Å; L868-L871 PolarHBondContact O-N 3.01Å; L868-D872 WeakPolarHBondContact O-CB 3.35Å; L868-D872 PolarHBondContact O-N 3.38Å
869	A	93.3	Very high	93	Very high	59 Å²	59	51.3 Å²	51.3	49%	0.488	30%	0.304	S	S	.	.	H	α-helix	trans	-63.6	-39.1	175.8	0	0	0	0	0	112.5	L865 A866 D867 L871	L865-A869 WeakPolarHBondContact O-CB 3.21Å; L865-A869 PolarHBondContact O-N 3.33Å; A866-A869 PolarHBondContact O-N 3.09Å; D867-A869 VanDerWaalsContact C-N 3.33Å; A869-L871 VanDerWaalsContact C-N 3.34Å
870	D	93	Very high	92.8	Very high	65 Å²	65	52.7 Å²	52.7	35%	0.348	30%	0.304	S	S	.	.	H	α-helix	trans	-62.1	-41.3	173.3	-176.3	51.8	0	0	0	111.6	K790 A866 D867 R882	K790-D870 WeakPolarHBondContact CE-OD2 3.22Å; K790-D870 IonicContact NZ-OD2 2.75Å; K790-D870 PolarHBondContact NZ-OD2 3.03Å; A866-D870 PolarHBondContact O-N 3.38Å; D867-D870 PolarHBondContact O-N 3.33Å; D870-R882 IonicContact OD2-CZ 3.69Å; D870-R882 IonicContact OD2-NH1 3.03Å; D870-R882 PolarHBondContact OD2-NH1 3Å; D870-R882 IonicContact OD2-NH2 3.34Å; D870-R882 PolarHBondContact OD2-NH2 2.96Å
871	L	92.3	Very high	92.6	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-79.2	-28.8	-176.2	-65.5	175.7	0	0	0	113.5	P768 I770 D789 K790 D867 L868 A869 V873 L874	P768-L871 HydrophobicContact CB-CB 4.04Å; P768-L871 HydrophobicContact CB-CD1 3.95Å; P768-L871 HydrophobicContact CG-CB 4.39Å; I770-L871 HydrophobicContact CD1-CD1 4.34Å; I770-L871 HydrophobicContact CG1-CD1 3.85Å; D789-L871 HydrophobicContact CB-CD1 3.84Å; D789-L871 HydrophobicContact CB-CD2 3.58Å; D789-L871 HydrophobicContact CB-CG 4.39Å; K790-L871 HydrophobicContact CG-CD1 4.16Å; K790-L871 HydrophobicContact CG-CD2 4.4Å; K790-L871 HydrophobicContact CG-CG 4.43Å; D867-L871 VanDerWaalsContact O-CG 3.25Å; D867-L871 WeakPolarHBondContact O-CG 3.14Å; D867-L871 PolarHBondContact O-N 3.42Å; L868-L871 PolarHBondContact O-N 3.01Å; A869-L871 VanDerWaalsContact C-N 3.34Å; L871-V873 PolarHBondContact O-N 3.23Å; L871-L874 HydrophobicContact CD2-CD1 4.31Å; L871-L874 PolarHBondContact O-N 3.18Å
872	D	88.7	Confident	92.4	Very high	83 Å²	83	58 Å²	58	44%	0.444	33%	0.328	S	S	.	.	H	α-helix	trans	-67.2	-22	-179.4	-78.4	-18.9	0	0	0	113.8	R685 L868 L874	R685-D872 IonicContact CZ-OD1 2.69Å; R685-D872 IonicContact CZ-OD2 3.59Å; R685-D872 VanDerWaalsContact NH1-CG 3.28Å; R685-D872 IonicContact NH1-OD1 3.29Å; R685-D872 PolarHBondContact NH1-OD1 3.37Å; R685-D872 VanDerWaalsContact NH1-OD1 3.14Å; R685-D872 IonicContact NH1-OD2 3.71Å; R685-D872 PolarHBondContact NH1-OD2 3.3Å; R685-D872 IonicContact NH2-OD1 3.5Å; R685-D872 PolarHBondContact NH2-OD1 2.93Å; R685-D872 IonicContact NH2-OD2 2.95Å; L868-D872 WeakPolarHBondContact O-CB 3.35Å; L868-D872 PolarHBondContact O-N 3.38Å; D872-L874 VanDerWaalsContact C-N 3.26Å
873	V	90.7	Very high	92.1	Very high	128 Å²	128	55.1 Å²	55.1	78%	0.776	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-20.4	177.5	-176.8	0	0	0	0	111.5	L871	L871-V873 PolarHBondContact O-N 3.23Å
874	L	89.5	Confident	91.8	Very high	55 Å²	55	59.3 Å²	59.3	29%	0.288	32%	0.32	S	S	.	.	S	Bend	trans	-85.2	140.9	-176	-60.8	177.8	0	0	0	111.8	L871 D872 D878 L879	L871-L874 HydrophobicContact CD2-CD1 4.31Å; L871-L874 PolarHBondContact O-N 3.18Å; D872-L874 VanDerWaalsContact C-N 3.26Å; L874-D878 HydrophobicContact CB-CB 4.25Å; L874-D878 HydrophobicContact CD2-CB 4.29Å; L874-L879 HydrophobicContact CB-CB 4.48Å
875	S	90.2	Very high	91.5	Very high	53 Å²	53	65.4 Å²	65.4	37%	0.371	35%	0.348	S	S	.	.			trans	-67.1	158.9	167.2	77.5	0	0	0	0	110.6	E877 D878 L879	S875-E877 PolarHBondContact O-N 3.43Å; S875-E877 PolarHBondContact OG-N 2.87Å; S875-D878 WeakPolarHBondContact CB-OD2 3.39Å; S875-D878 PolarHBondContact O-N 2.89Å; S875-D878 VanDerWaalsContact O-N 3.16Å; S875-D878 PolarHBondContact OG-N 3.04Å; S875-D878 VanDerWaalsContact OG-N 3.11Å; S875-D878 PolarHBondContact OG-OD2 3.34Å; S875-L879 WeakPolarHBondContact O-CB 3.4Å; S875-L879 PolarHBondContact O-N 3.34Å
876	T	89.5	Confident	91.1	Very high	77 Å²	77	64.2 Å²	64.2	47%	0.472	34%	0.339	S	S	.	.	H	α-helix	trans	-56.3	-32.7	175.3	-58.2	0	0	0	0	112.5	K880	T876-K880 WeakPolarHBondContact O-CG 3.39Å; T876-K880 PolarHBondContact O-N 3.27Å
877	E	90.3	Very high	90.7	Very high	139 Å²	139	64.4 Å²	64.4	65%	0.65	33%	0.333	S	S	*	.	H	α-helix	trans	-73.4	-44.4	177.7	-170.7	170.6	-178.1	0	0	111.3	S875 L879 K880 N881	S875-E877 PolarHBondContact O-N 3.43Å; S875-E877 PolarHBondContact OG-N 2.87Å; E877-L879 VanDerWaalsContact C-N 3.3Å; E877-L879 PolarHBondContact O-N 3.38Å; E877-K880 PolarHBondContact O-N 3.3Å; E877-N881 WeakPolarHBondContact O-CB 3.5Å; E877-N881 VanDerWaalsContact O-CG 3.3Å; E877-N881 PolarHBondContact O-N 2.71Å; E877-N881 PolarHBondContact O-ND2 2.99Å
878	D	91.8	Very high	90.3	Very high	82 Å²	82	70 Å²	70	44%	0.439	36%	0.36	S	S	.	.	H	α-helix	trans	-63	-38.3	176.6	-63.2	-42.3	0	0	0	112	L874 S875 N881 R882	L874-D878 HydrophobicContact CB-CB 4.25Å; L874-D878 HydrophobicContact CD2-CB 4.29Å; S875-D878 WeakPolarHBondContact CB-OD2 3.39Å; S875-D878 PolarHBondContact O-N 2.89Å; S875-D878 VanDerWaalsContact O-N 3.16Å; S875-D878 PolarHBondContact OG-N 3.04Å; S875-D878 VanDerWaalsContact OG-N 3.11Å; S875-D878 PolarHBondContact OG-OD2 3.34Å; D878-N881 PolarHBondContact O-N 2.86Å; D878-R882 WeakPolarHBondContact O-CB 3.35Å; D878-R882 PolarHBondContact O-N 3.32Å
879	L	91.5	Very high	89.9	Confident	4 Å²	4	73.8 Å²	73.8	2%	0.021	39%	0.387	C	S	.	.	H	α-helix	trans	-62	-48.7	176.8	-173.2	156.6	0	0	0	111	P768 D789 L874 S875 E877 R883	P768-L879 HydrophobicContact CB-CD1 4.33Å; P768-L879 HydrophobicContact CG-CD1 3.97Å; D789-L879 WeakPolarHBondContact OD1-CD2 3.49Å; D789-L879 WeakPolarHBondContact OD2-CD2 3.3Å; L874-L879 HydrophobicContact CB-CB 4.48Å; S875-L879 WeakPolarHBondContact O-CB 3.4Å; S875-L879 PolarHBondContact O-N 3.34Å; E877-L879 VanDerWaalsContact C-N 3.3Å; E877-L879 PolarHBondContact O-N 3.38Å; L879-R883 WeakPolarHBondContact O-CB 3.44Å; L879-R883 PolarHBondContact O-N 3.02Å
880	K	90.6	Very high	89.3	Confident	76 Å²	76	74.8 Å²	74.8	33%	0.33	38%	0.379	S	S	.	.	H	α-helix	trans	-63.8	-42.6	175.8	-71.2	-178.2	-175.5	-163.3	0	112.1	R764 T876 E877 R883 Y884	R764-K880 WeakPolarHBondContact O-CE 3.07Å; R764-K880 PolarHBondContact O-NZ 2.72Å; T876-K880 WeakPolarHBondContact O-CG 3.39Å; T876-K880 PolarHBondContact O-N 3.27Å; E877-K880 PolarHBondContact O-N 3.3Å; K880-R883 PolarHBondContact O-N 3.49Å; K880-Y884 WeakPolarHBondContact O-CB 3.4Å; K880-Y884 PolarHBondContact O-N 3.01Å
881	N	91.1	Very high	88.2	Confident	79 Å²	79	75 Å²	75	42%	0.422	40%	0.396	S	S	.	.	H	α-helix	trans	-65.7	-45.4	179.2	-76.5	-23.2	0	0	0	111.6	E877 D878 R883 Y884 Q885	E877-N881 WeakPolarHBondContact O-CB 3.5Å; E877-N881 VanDerWaalsContact O-CG 3.3Å; E877-N881 PolarHBondContact O-N 2.71Å; E877-N881 PolarHBondContact O-ND2 2.99Å; D878-N881 PolarHBondContact O-N 2.86Å; N881-R883 VanDerWaalsContact C-N 3.34Å; N881-R883 PolarHBondContact O-N 3.13Å; N881-Y884 PolarHBondContact O-N 3.12Å; N881-Q885 WeakPolarHBondContact O-CB 3.41Å; N881-Q885 VanDerWaalsContact O-CG 3.31Å; N881-Q885 WeakPolarHBondContact O-CG 3.47Å; N881-Q885 PolarHBondContact O-N 3.32Å
882	R	90.1	Very high	86.4	Confident	90 Å²	90	86.5 Å²	86.5	34%	0.34	44%	0.441	S	S	.	.	H	α-helix	trans	-57.4	-47.2	175.3	-178.7	-178.1	179.3	-179.9	4.3	110.9	D870 D878 R886	D870-R882 IonicContact OD2-CZ 3.69Å; D870-R882 IonicContact OD2-NH1 3.03Å; D870-R882 PolarHBondContact OD2-NH1 3Å; D870-R882 IonicContact OD2-NH2 3.34Å; D870-R882 PolarHBondContact OD2-NH2 2.96Å; D878-R882 WeakPolarHBondContact O-CB 3.35Å; D878-R882 PolarHBondContact O-N 3.32Å; R882-R886 VanDerWaalsContact O-CB 3.3Å; R882-R886 WeakPolarHBondContact O-CB 3.43Å; R882-R886 PolarHBondContact O-N 3.37Å
883	R	90.5	Very high	84	Confident	0 Å²	0	90.7 Å²	90.7	0%	0	49%	0.487	C	S	.	.	H	α-helix	trans	-61.8	-46.1	177.1	-168.1	-172.8	-59.9	154	-1.8	111.7	M762 L765 V767 D789 L879 K880 N881 R886 L887	M762-R883 PolarHBondContact O-NH1 3.44Å; L765-R883 PolarHBondContact O-NH1 3.01Å; L765-R883 PolarHBondContact O-NH2 3.27Å; V767-R883 PolarHBondContact O-NH2 3.32Å; D789-R883 IonicContact OD1-CZ 2.84Å; D789-R883 IonicContact OD1-NE 2.7Å; D789-R883 PolarHBondContact OD1-NE 3.36Å; D789-R883 IonicContact OD1-NH2 3.79Å; D789-R883 PolarHBondContact OD1-NH2 2.81Å; D789-R883 IonicContact OD2-CZ 3.14Å; D789-R883 IonicContact OD2-NE 3.36Å; D789-R883 IonicContact OD2-NH2 3.51Å; D789-R883 PolarHBondContact OD2-NH2 2.86Å; L879-R883 WeakPolarHBondContact O-CB 3.44Å; L879-R883 PolarHBondContact O-N 3.02Å; K880-R883 PolarHBondContact O-N 3.49Å; N881-R883 VanDerWaalsContact C-N 3.34Å; N881-R883 PolarHBondContact O-N 3.13Å; R883-R886 PolarHBondContact O-N 3.07Å; R883-L887 HydrophobicContact CG-CD1 4.09Å; R883-L887 VanDerWaalsContact O-CG 3.3Å; R883-L887 WeakPolarHBondContact O-CG 3.34Å; R883-L887 PolarHBondContact O-N 2.94Å
884	Y	89.3	Confident	83.7	Confident	135 Å²	135	88.8 Å²	88.8	53%	0.529	47%	0.473	S	S	.	.	H	α-helix	trans	-60.7	-50	178.3	-179.4	-98.3	0	0	0	111.9	K880 N881 R886 L887 M888	K880-Y884 WeakPolarHBondContact O-CB 3.4Å; K880-Y884 PolarHBondContact O-N 3.01Å; N881-Y884 PolarHBondContact O-N 3.12Å; Y884-R886 VanDerWaalsContact C-N 3.33Å; Y884-R886 PolarHBondContact O-N 3.49Å; Y884-L887 PolarHBondContact O-N 3.01Å; Y884-M888 HydrophobicContact CD1-CG 4.14Å; Y884-M888 HydrophobicContact CD2-CG 4.28Å; Y884-M888 HydrophobicContact CE1-CG 3.76Å; Y884-M888 HydrophobicContact CE2-CG 3.91Å; Y884-M888 HydrophobicContact CE2-SD 4.22Å; Y884-M888 HydrophobicContact CG-CG 4.39Å; Y884-M888 WeakPolarHBondContact O-CB 3.29Å; Y884-M888 VanDerWaalsContact O-CG 3.29Å; Y884-M888 WeakPolarHBondContact O-CG 3.48Å; Y884-M888 PolarHBondContact O-N 3.26Å
885	Q	88.5	Confident	83.4	Confident	127 Å²	127	90.6 Å²	90.6	59%	0.593	48%	0.482	S	S	*	.	H	α-helix	trans	-60.6	-42.6	178.7	-69.3	-60.9	-26.2	0	0	111.9	N881 M888 S889	N881-Q885 WeakPolarHBondContact O-CB 3.41Å; N881-Q885 VanDerWaalsContact O-CG 3.31Å; N881-Q885 WeakPolarHBondContact O-CG 3.47Å; N881-Q885 PolarHBondContact O-N 3.32Å; Q885-M888 PolarHBondContact O-N 2.92Å; Q885-S889 WeakPolarHBondContact O-CB 3.26Å; Q885-S889 PolarHBondContact O-N 3.49Å
886	R	87.8	Confident	83	Confident	33 Å²	33	92.7 Å²	92.7	13%	0.125	49%	0.489	C	S	.	.	H	α-helix	trans	-58.9	-52.1	175.1	178.9	-172.5	172.2	170.1	9.7	111.5	D789 L837 D839 R882 R883 Y884 M888 S889 Y890	D789-R886 PolarHBondContact O-NH1 3.45Å; L837-R886 PolarHBondContact O-NH2 3.1Å; D839-R886 IonicContact OD1-CZ 2.8Å; D839-R886 IonicContact OD1-NH1 3.81Å; D839-R886 IonicContact OD1-NH2 3.17Å; D839-R886 IonicContact OD2-CZ 2.65Å; D839-R886 IonicContact OD2-NH1 2.84Å; D839-R886 PolarHBondContact OD2-NH1 3.03Å; D839-R886 IonicContact OD2-NH2 3.99Å; D839-R886 PolarHBondContact OD2-NH2 3.35Å; R882-R886 VanDerWaalsContact O-CB 3.3Å; R882-R886 WeakPolarHBondContact O-CB 3.43Å; R882-R886 PolarHBondContact O-N 3.37Å; R883-R886 PolarHBondContact O-N 3.07Å; Y884-R886 VanDerWaalsContact C-N 3.33Å; Y884-R886 PolarHBondContact O-N 3.49Å; R886-M888 VanDerWaalsContact C-N 3.32Å; R886-M888 PolarHBondContact O-N 3.4Å; R886-S889 WeakPolarHBondContact O-CB 3.46Å; R886-S889 PolarHBondContact O-N 3.22Å; R886-S889 VanDerWaalsContact O-N 3.12Å; R886-S889 PolarHBondContact O-OG 2.92Å; R886-Y890 HydrophobicContact CG-CE1 4.31Å; R886-Y890 PolarHBondContact NE-OH 2.98Å; R886-Y890 PolarHBondContact NH2-OH 3.31Å
887	L	86.3	Confident	82.6	Confident	57 Å²	57	93.6 Å²	93.6	30%	0.298	49%	0.49	S	S	.	.	H	α-helix	trans	-64.6	-37.6	-178.3	-67.8	173.3	0	0	0	112.1	V787 R883 Y884 S889 Y890	V787-L887 HydrophobicContact CG1-CD1 3.92Å; V787-L887 HydrophobicContact CG1-CD2 4.4Å; R883-L887 HydrophobicContact CG-CD1 4.09Å; R883-L887 VanDerWaalsContact O-CG 3.3Å; R883-L887 WeakPolarHBondContact O-CG 3.34Å; R883-L887 PolarHBondContact O-N 2.94Å; Y884-L887 PolarHBondContact O-N 3.01Å; L887-S889 VanDerWaalsContact C-N 3.26Å; L887-S889 PolarHBondContact O-N 3.36Å; L887-Y890 HydrophobicContact CD2-CD2 4.33Å; L887-Y890 HydrophobicContact CD2-CE2 4.1Å; L887-Y890 PolarHBondContact O-N 3.45Å
888	M	87	Confident	82.2	Confident	122 Å²	122	90.8 Å²	90.8	60%	0.601	48%	0.48	S	S	*	.	H	α-helix	trans	-71.4	-19.8	175.8	-68.6	-58.4	-61.3	0	0	113.3	Y884 Q885 R886 Y890	Y884-M888 HydrophobicContact CD1-CG 4.14Å; Y884-M888 HydrophobicContact CD2-CG 4.28Å; Y884-M888 HydrophobicContact CE1-CG 3.76Å; Y884-M888 HydrophobicContact CE2-CG 3.91Å; Y884-M888 HydrophobicContact CE2-SD 4.22Å; Y884-M888 HydrophobicContact CG-CG 4.39Å; Y884-M888 WeakPolarHBondContact O-CB 3.29Å; Y884-M888 VanDerWaalsContact O-CG 3.29Å; Y884-M888 WeakPolarHBondContact O-CG 3.48Å; Y884-M888 PolarHBondContact O-N 3.26Å; Q885-M888 PolarHBondContact O-N 2.92Å; R886-M888 VanDerWaalsContact C-N 3.32Å; R886-M888 PolarHBondContact O-N 3.4Å; M888-Y890 VanDerWaalsContact C-N 3.27Å
889	S	85.7	Confident	81.5	Confident	83 Å²	83	91.3 Å²	91.3	58%	0.58	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-12.4	174.9	77.6	0	0	0	0	113.7	Q885 R886 L887 G891	Q885-S889 WeakPolarHBondContact O-CB 3.26Å; Q885-S889 PolarHBondContact O-N 3.49Å; R886-S889 WeakPolarHBondContact O-CB 3.46Å; R886-S889 PolarHBondContact O-N 3.22Å; R886-S889 VanDerWaalsContact O-N 3.12Å; R886-S889 PolarHBondContact O-OG 2.92Å; L887-S889 VanDerWaalsContact C-N 3.26Å; L887-S889 PolarHBondContact O-N 3.36Å; S889-G891 PolarHBondContact O-N 2.86Å
890	Y	82	Confident	80.8	Confident	80 Å²	80	97.6 Å²	97.6	31%	0.314	52%	0.515	S	S	.	.			trans	-80.6	117.2	178.2	-62.7	-19.4	0	0	0	111.1	K836 L837 R886 L887 M888	K836-Y890 WeakPolarHBondContact O-CE1 3.39Å; L837-Y890 HydrophobicContact CD2-CD1 4.04Å; L837-Y890 HydrophobicContact CD2-CE1 4.09Å; L837-Y890 HydrophobicContact CD2-CG 4.26Å; L837-Y890 PolarHBondContact O-OH 3.34Å; R886-Y890 HydrophobicContact CG-CE1 4.31Å; R886-Y890 PolarHBondContact NE-OH 2.98Å; R886-Y890 PolarHBondContact NH2-OH 3.31Å; L887-Y890 HydrophobicContact CD2-CD2 4.33Å; L887-Y890 HydrophobicContact CD2-CE2 4.1Å; L887-Y890 PolarHBondContact O-N 3.45Å; M888-Y890 VanDerWaalsContact C-N 3.27Å
891	G	68.9	Low	80.1	Confident	69 Å²	69	99.2 Å²	99.2	71%	0.711	53%	0.53	S	S	*	.	S	Bend	trans	145.3	168	-179	0	0	0	0	0	111	S889	S889-G891 PolarHBondContact O-N 2.86Å
892	Y	54.1	Low	79.1	Confident	244 Å²	244	100.9 Å²	100.9	96%	0.957	54%	0.539	S	S	*	.			trans	-79	121.3	169.4	-74.1	-88.6	0	0	0	108.7
893	A	39.4	Very low	78.1	Confident	171 Å²	171	101.9 Å²	101.9	100%	1.413	56%	0.557	S	S	*	*			trans	-78.5	0	153	0	0	0	0	0	109.1

Retrieved 893 of 893 residues in 538.7 ms (Link to these results)

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