A0A5K4FBS3_SCHMA Loading...

Pitrilysin

AlphaFold DB , UniProt , Accession A0A5K4FBS3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 881 aa.

						>A0A5K4FBS3_SCHMA|A0A5K4FBS3
MSIVDCINSADSSSPVVQKSANDLREYKVMRLCNRMKVLLISDPETDKSAVCLSVNIGSLSDPKELPGLAHFCEHMLFLGTKSFPTENTYLKYITDHGGHCNAFTSPDKTSYVFDVAPESLRGALDIFSQFFVCPLFTDSATEREISFNMVTEHGKCLFVVNRKLFQYCNNDFCFNAHVFSEKYMLQKDCGGYRTFCEVSAVQSEHEKDSSNDTRRLFQLERNLSKGGHDYTKFFSGNRYSLFESSCAKSVNTREKLLQFYSTWYSSNLMSLVILGRESINDLQKLAEDKFSEVIDRNVVQPSWNDTPWPDICLKKMVYVVPLNDIHQMNIMWPIPDYIPDYTAQATSYVTYLLGHESRGSLLSLFKNASWVNQLTCDVNRQEAGICYLNVFVHLTLKGLEKINEIITNIYQYINMLRSDEPKRWIFDEIQTYNMQDVLTSPLLATVYNPNLIKKLLTSLNPDNSRIFVLSKTFTDKCVEEEPWYYTKYLATDIPESTLSVWRNSSTNPELRFPEPNPFIATEFDLVQNKYPTNAEIPELLIETDMSRIWYFQDREFNLPKGFIKFHIVSLSTFCSPLHETLCAFYRYHGFTYKLKSVVQEIVAQLVNYCEPKTDRFEFIREKISQNITNFSAKPSHYQACTYLTNITLHHSWINDDFIQALQDITYEKLVNYIKEFFELIFIEGLIYGNITEVDAINYYEMVRDLLIQKFSSKPLLLSHITTPREVIIPEGSSFLYQRYISGQPASAIYYYLQCGEQSTLNNTLLHLFYQIVRGPTFDKLYTEQQLGLIVQAGLRRSNKLQGFRILVQSTYHPNKIDKCIEEFLLTVNKLLEDMSDEEFNVHVQSLLTHLLEKPKGMQDRFGRLWSEIACRHYNFKRQVY
					

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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	34.9	Very low	47.2	Very low	108 Å²	108	52.2 Å²	52.2	53%	0.532	31%	0.305	S	S	.	.				0	131.3	0	-167.7	173.4	-67.8	0	0	106.8	D5 I339 P442	M1-D5 HydrophobicContact CG-CB 3.43Å; M1-D5 VanDerWaalsContact CG-CB 3.43Å; M1-D5 HydrophobicContact SD-CB 4.26Å; M1-I339 HydrophobicContact CE-CD1 3.35Å; M1-I339 HydrophobicContact CE-CG1 3.67Å; M1-P442 HydrophobicContact SD-CB 3.83Å; M1-P442 HydrophobicContact SD-CG 4.34Å
2	S	42.2	Very low	46.9	Very low	46 Å²	46	57.3 Å²	57.3	32%	0.322	35%	0.346	S	S	.	.			trans	-82.8	161.4	-176	65.5	0	0	0	0	111.9	V4 D5 C6	S2-V4 PolarHBondContact O-N 2.93Å; S2-D5 PolarHBondContact N-OD2 3.16Å; S2-D5 WeakPolarHBondContact O-CB 3.38Å; S2-D5 PolarHBondContact O-N 2.83Å; S2-D5 PolarHBondContact OG-N 2.87Å; S2-D5 PolarHBondContact OG-OD2 3.28Å; S2-C6 PolarHBondContact O-N 3.15Å; S2-C6 PolarHBondContact O-SG 2.76Å
3	I	49.6	Very low	46.6	Very low	61 Å²	61	59.8 Å²	59.8	31%	0.313	37%	0.367	S	S	.	.	H	α-helix	trans	-53.4	-36.4	172.3	-71.1	173.7	0	0	0	111	D5 C6 I7 L39 V273 L439 T440	I3-D5 PolarHBondContact O-N 3.45Å; I3-C6 WeakPolarHBondContact O-CB 3.35Å; I3-C6 PolarHBondContact O-N 3.38Å; I3-C6 VanDerWaalsContact O-N 3.13Å; I3-I7 HydrophobicContact CG2-CD1 4.18Å; I3-I7 WeakPolarHBondContact O-CG1 3.44Å; I3-I7 PolarHBondContact O-N 3.09Å; I3-L39 HydrophobicContact CG2-CD2 3.34Å; I3-V273 HydrophobicContact CG2-CG2 4.41Å; I3-L439 HydrophobicContact CD1-CD1 4.17Å; I3-T440 HydrophobicContact CG1-CG2 4.42Å
4	V	48.7	Very low	46.7	Very low	8 Å²	8	63.1 Å²	63.1	5%	0.048	39%	0.394	C	S	.	.	H	α-helix	trans	-60.1	-42.5	176	178.6	0	0	0	0	111.9	S2 C6 I7 N8 S54 V273	S2-V4 PolarHBondContact O-N 2.93Å; V4-C6 PolarHBondContact O-N 3.35Å; V4-I7 PolarHBondContact O-N 3.48Å; V4-N8 PolarHBondContact O-N 3.35Å; V4-N8 PolarHBondContact O-ND2 2.98Å; V4-S54 VanDerWaalsContact CG1-CB 3.42Å; V4-V273 HydrophobicContact CG2-CG2 4.34Å
5	D	49.9	Very low	47.4	Very low	35 Å²	35	62.7 Å²	62.7	19%	0.187	39%	0.393	C	S	.	.	H	α-helix	trans	-64.3	-30.8	178.1	-58	-41.3	0	0	0	111.2	M1 S2 I3 N8 S9 K109	M1-D5 HydrophobicContact CG-CB 3.43Å; M1-D5 VanDerWaalsContact CG-CB 3.43Å; M1-D5 HydrophobicContact SD-CB 4.26Å; S2-D5 PolarHBondContact N-OD2 3.16Å; S2-D5 WeakPolarHBondContact O-CB 3.38Å; S2-D5 PolarHBondContact O-N 2.83Å; S2-D5 PolarHBondContact OG-N 2.87Å; S2-D5 PolarHBondContact OG-OD2 3.28Å; I3-D5 PolarHBondContact O-N 3.45Å; D5-N8 WeakPolarHBondContact O-CB 3.09Å; D5-N8 PolarHBondContact O-N 3.01Å; D5-S9 PolarHBondContact O-N 2.87Å; D5-S9 VanDerWaalsContact O-N 3.13Å; D5-K109 VanDerWaalsContact CG-NZ 3.29Å; D5-K109 IonicContact OD1-NZ 3.17Å; D5-K109 PolarHBondContact OD1-NZ 2.85Å; D5-K109 IonicContact OD2-NZ 3.51Å; D5-K109 PolarHBondContact OD2-NZ 2.76Å
6	C	49.3	Very low	48.4	Very low	13 Å²	13	67.6 Å²	67.6	9%	0.088	42%	0.421	C	S	.	.	H	α-helix	trans	-73.7	-42.2	178.2	-57.2	0	0	0	0	111.6	S2 I3 V4 N8 S9 A10 T440 P442	S2-C6 PolarHBondContact O-N 3.15Å; S2-C6 PolarHBondContact O-SG 2.76Å; I3-C6 WeakPolarHBondContact O-CB 3.35Å; I3-C6 PolarHBondContact O-N 3.38Å; I3-C6 VanDerWaalsContact O-N 3.13Å; V4-C6 PolarHBondContact O-N 3.35Å; C6-N8 PolarHBondContact O-N 3.47Å; C6-S9 PolarHBondContact O-N 3.35Å; C6-S9 VanDerWaalsContact O-N 3.11Å; C6-S9 PolarHBondContact O-OG 3.24Å; C6-A10 PolarHBondContact O-N 2.65Å; C6-T440 HydrophobicContact CB-CG2 4.07Å; C6-T440 WeakPolarHBondContact SG-CB 3.12Å; C6-T440 WeakPolarHBondContact SG-CG2 3.26Å; C6-P442 HydrophobicContact CB-CG 4.19Å
7	I	55.1	Low	49.5	Very low	11 Å²	11	65.6 Å²	65.6	6%	0.056	41%	0.409	C	S	.	.	H	α-helix	trans	-58.5	-40.5	170	-62.6	165.3	0	0	0	109.7	I3 V4 S9 A10 K37 L39 V273	I3-I7 HydrophobicContact CG2-CD1 4.18Å; I3-I7 WeakPolarHBondContact O-CG1 3.44Å; I3-I7 PolarHBondContact O-N 3.09Å; V4-I7 PolarHBondContact O-N 3.48Å; I7-S9 PolarHBondContact O-N 2.99Å; I7-A10 PolarHBondContact O-N 3.18Å; I7-K37 HydrophobicContact CG2-CB 3.34Å; I7-K37 HydrophobicContact CG2-CD 4.03Å; I7-K37 HydrophobicContact CG2-CG 4.29Å; I7-K37 WeakPolarHBondContact O-CD 3.35Å; I7-L39 HydrophobicContact CD1-CB 3.37Å; I7-L39 HydrophobicContact CD1-CD2 4.11Å; I7-L39 HydrophobicContact CD1-CG 4.37Å; I7-L39 HydrophobicContact CG1-CB 4.11Å; I7-V273 HydrophobicContact CD1-CG2 3.83Å
8	N	52.9	Low	50.5	Low	34 Å²	34	69.1 Å²	69.1	18%	0.182	42%	0.419	C	S	.	.	H	α-helix	trans	-61.2	-33.2	177.5	-78.3	-30.7	0	0	0	112.8	V4 D5 C6 K37 N56 S271	V4-N8 PolarHBondContact O-N 3.35Å; V4-N8 PolarHBondContact O-ND2 2.98Å; D5-N8 WeakPolarHBondContact O-CB 3.09Å; D5-N8 PolarHBondContact O-N 3.01Å; C6-N8 PolarHBondContact O-N 3.47Å; N8-K37 PolarHBondContact O-NZ 3.26Å; N8-N56 VanDerWaalsContact CG-ND2 3.32Å; N8-N56 PolarHBondContact ND2-ND2 3.34Å; N8-N56 VanDerWaalsContact ND2-ND2 3.16Å; N8-N56 PolarHBondContact ND2-OD1 3.23Å; N8-N56 PolarHBondContact OD1-ND2 2.96Å; N8-N56 VanDerWaalsContact OD1-ND2 3.16Å; N8-S271 PolarHBondContact OD1-OG 2.96Å
9	S	48.8	Very low	51.8	Low	73 Å²	73	69.7 Å²	69.7	51%	0.51	42%	0.416	S	S	.	.	H	α-helix	trans	-84.5	-14.2	179.1	69.1	0	0	0	0	115.8	D5 C6 I7	D5-S9 PolarHBondContact O-N 2.87Å; D5-S9 VanDerWaalsContact O-N 3.13Å; C6-S9 PolarHBondContact O-N 3.35Å; C6-S9 VanDerWaalsContact O-N 3.11Å; C6-S9 PolarHBondContact O-OG 3.24Å; I7-S9 PolarHBondContact O-N 2.99Å
10	A	45.4	Very low	53	Low	42 Å²	42	68.4 Å²	68.4	35%	0.347	41%	0.41	S	S	.	.			trans	-79.5	122.9	-173.8	0	0	0	0	0	112.4	C6 I7 P15	C6-A10 PolarHBondContact O-N 2.65Å; I7-A10 PolarHBondContact O-N 3.18Å; A10-P15 HydrophobicContact CB-CG 4.47Å
11	D	42.6	Very low	54	Low	143 Å²	143	70 Å²	70	77%	0.765	43%	0.431	S	S	*	.			trans	-71	155.6	173.1	-97	-27.3	0	0	0	112.5	S13	D11-S13 PolarHBondContact O-N 3.08Å
12	S	43.2	Very low	55.9	Low	114 Å²	114	70 Å²	70	80%	0.797	43%	0.433	S	S	*	.	S	Bend	trans	-61.6	8.9	-162	50.2	0	0	0	0	119.1
13	S	42.6	Very low	57.7	Low	90 Å²	90	68.7 Å²	68.7	63%	0.629	42%	0.422	S	S	*	.	S	Bend	trans	-97.3	117.8	172.8	56.7	0	0	0	0	109.3	D11 P15	D11-S13 PolarHBondContact O-N 3.08Å; S13-P15 WeakPolarHBondContact O-CD 3.46Å; S13-P15 VanDerWaalsContact O-CG 3.24Å; S13-P15 WeakPolarHBondContact O-CG 3.43Å
14	S	49.2	Very low	59.4	Low	106 Å²	106	73.3 Å²	73.3	74%	0.741	45%	0.447	S	S	*	.			trans	-43.4	96	-179.3	-58.9	0	0	0	0	112.1
15	P	57.2	Low	61.4	Low	57 Å²	57	77 Å²	77	37%	0.37	46%	0.46	S	S	.	.			trans	-76.3	137.1	-173.8	-5.5	21.9	0	0	0	107.5	A10 S13 V17	A10-P15 HydrophobicContact CB-CG 4.47Å; S13-P15 WeakPolarHBondContact O-CD 3.46Å; S13-P15 VanDerWaalsContact O-CG 3.24Å; S13-P15 WeakPolarHBondContact O-CG 3.43Å; P15-V17 PolarHBondContact O-N 3.43Å
16	V	62.9	Low	63.3	Low	140 Å²	140	81 Å²	81	85%	0.848	48%	0.477	S	S	*	.			trans	-59.6	114.7	164	177.5	0	0	0	0	106.6	Q18	V16-Q18 PolarHBondContact O-N 2.85Å; V16-Q18 VanDerWaalsContact O-N 3.1Å
17	V	67.4	Low	65.2	Low	35 Å²	35	81.9 Å²	81.9	21%	0.212	48%	0.479	C	S	.	.			trans	-65.3	112.1	177.1	178.9	0	0	0	0	107.2	P15 K19 Y27 V29 L439	P15-V17 PolarHBondContact O-N 3.43Å; V17-K19 PolarHBondContact O-N 3.37Å; V17-Y27 HydrophobicContact CG1-CG 4.09Å; V17-V29 HydrophobicContact CG2-CG2 3.67Å; V17-L439 HydrophobicContact CG1-CD2 3.92Å
18	Q	68.1	Low	66.8	Low	127 Å²	127	84.6 Å²	84.6	59%	0.593	49%	0.49	S	S	*	.			trans	-64.4	134.7	168	-67.3	-172.3	-8.3	0	0	107.6	V16 V438	V16-Q18 PolarHBondContact O-N 2.85Å; V16-Q18 VanDerWaalsContact O-N 3.1Å; Q18-V438 CarbonylContact C-O 3.57Å
19	K	74.4	Confident	68.3	Low	82 Å²	82	84.4 Å²	84.4	36%	0.357	49%	0.49	S	S	.	.			trans	-144.1	166.7	178.7	65.3	172.1	-178.5	162.3	0	109.3	V17 D23 R25 Y27 L439	V17-K19 PolarHBondContact O-N 3.37Å; K19-D23 HydrophobicContact CB-CB 4.32Å; K19-D23 HydrophobicContact CD-CB 4.2Å; K19-D23 WeakPolarHBondContact CD-O 3.24Å; K19-D23 VanDerWaalsContact CE-O 3.32Å; K19-D23 WeakPolarHBondContact CE-O 3.45Å; K19-D23 PolarHBondContact NZ-O 2.6Å; K19-R25 PolarHBondContact NZ-O 2.79Å; K19-Y27 HydrophobicContact CB-CE2 4.3Å; K19-Y27 HydrophobicContact CD-CD2 3.89Å; K19-Y27 HydrophobicContact CD-CE2 3.82Å; K19-L439 HydrophobicContact CB-CD2 3.94Å
20	S	75	Confident	70.2	Confident	43 Å²	43	82.2 Å²	82.2	30%	0.301	47%	0.472	S	S	.	.			trans	-63.5	146.1	174.5	-178.9	0	0	0	0	110.3	N22 D23	S20-N22 PolarHBondContact O-N 3.24Å; S20-N22 PolarHBondContact OG-N 2.77Å; S20-D23 WeakPolarHBondContact O-CB 3.28Å; S20-D23 PolarHBondContact O-N 3.41Å
21	A	74.9	Confident	72.3	Confident	102 Å²	102	86.2 Å²	86.2	84%	0.843	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-25.5	170.6	0	0	0	0	0	112.3
22	N	74.8	Confident	74.7	Confident	108 Å²	108	79.9 Å²	79.9	58%	0.578	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-2.7	176.8	-62.6	-16.3	0	0	0	113.2	S20 L24	S20-N22 PolarHBondContact O-N 3.24Å; S20-N22 PolarHBondContact OG-N 2.77Å; N22-L24 PolarHBondContact O-N 3.21Å
23	D	79.5	Confident	77.1	Confident	18 Å²	18	79.8 Å²	79.8	10%	0.096	44%	0.443	C	S	.	.			trans	-88.5	103.3	177.8	-171.4	-8.7	0	0	0	110.2	K19 S20 R25 Y27	K19-D23 HydrophobicContact CB-CB 4.32Å; K19-D23 HydrophobicContact CD-CB 4.2Å; K19-D23 WeakPolarHBondContact CD-O 3.24Å; K19-D23 VanDerWaalsContact CE-O 3.32Å; K19-D23 WeakPolarHBondContact CE-O 3.45Å; K19-D23 PolarHBondContact NZ-O 2.6Å; S20-D23 WeakPolarHBondContact O-CB 3.28Å; S20-D23 PolarHBondContact O-N 3.41Å; D23-R25 VanDerWaalsContact C-N 3.28Å; D23-R25 VanDerWaalsContact CG-NH2 3.34Å; D23-R25 PolarHBondContact O-N 3.25Å; D23-R25 VanDerWaalsContact OD1-CB 3.28Å; D23-R25 WeakPolarHBondContact OD1-CB 3.06Å; D23-R25 WeakPolarHBondContact OD1-CG 3.46Å; D23-R25 IonicContact OD1-CZ 2.78Å; D23-R25 PolarHBondContact OD1-N 3.47Å; D23-R25 IonicContact OD1-NE 3.35Å; D23-R25 PolarHBondContact OD1-NE 3.37Å; D23-R25 IonicContact OD1-NH2 3.92Å; D23-R25 PolarHBondContact OD1-NH2 3.46Å; D23-R25 IonicContact OD2-CZ 2.9Å; D23-R25 IonicContact OD2-NE 2.65Å; D23-R25 PolarHBondContact OD2-NE 3.4Å; D23-R25 IonicContact OD2-NH2 2.75Å; D23-R25 PolarHBondContact OD2-NH2 2.97Å; D23-Y27 WeakPolarHBondContact OD2-CE2 3.32Å; D23-Y27 PolarHBondContact OD2-OH 3.28Å
24	L	85.8	Confident	79.6	Confident	159 Å²	159	76.1 Å²	76.1	83%	0.832	42%	0.416	S	S	*	.			trans	-76.1	-13.4	-178.7	-59.2	-178.9	0	0	0	113.4	N22	N22-L24 PolarHBondContact O-N 3.21Å
25	R	89.7	Confident	81.7	Confident	86 Å²	86	74.6 Å²	74.6	33%	0.325	39%	0.394	S	S	.	.			trans	-67.5	144.4	-176.4	-61.3	168.5	-69.3	-174.8	4.5	111.3	K19 D23 Y27 I41 D43	K19-R25 PolarHBondContact NZ-O 2.79Å; D23-R25 VanDerWaalsContact C-N 3.28Å; D23-R25 VanDerWaalsContact CG-NH2 3.34Å; D23-R25 PolarHBondContact O-N 3.25Å; D23-R25 VanDerWaalsContact OD1-CB 3.28Å; D23-R25 WeakPolarHBondContact OD1-CB 3.06Å; D23-R25 WeakPolarHBondContact OD1-CG 3.46Å; D23-R25 IonicContact OD1-CZ 2.78Å; D23-R25 PolarHBondContact OD1-N 3.47Å; D23-R25 IonicContact OD1-NE 3.35Å; D23-R25 PolarHBondContact OD1-NE 3.37Å; D23-R25 IonicContact OD1-NH2 3.92Å; D23-R25 PolarHBondContact OD1-NH2 3.46Å; D23-R25 IonicContact OD2-CZ 2.9Å; D23-R25 IonicContact OD2-NE 2.65Å; D23-R25 PolarHBondContact OD2-NE 3.4Å; D23-R25 IonicContact OD2-NH2 2.75Å; D23-R25 PolarHBondContact OD2-NH2 2.97Å; R25-Y27 HydrophobicContact CB-CE2 3.81Å; R25-Y27 PolarHBondContact NE-OH 3.46Å; R25-Y27 PolarHBondContact NH2-OH 3.36Å; R25-Y27 VanDerWaalsContact NH2-OH 3.09Å; R25-Y27 WeakPolarHBondContact O-CD2 3.26Å; R25-Y27 WeakPolarHBondContact O-CE2 3.28Å; R25-I41 HydrophobicContact CB-CG2 4.14Å; R25-D43 HydrophobicContact CG-CB 3.92Å
26	E	91.5	Very high	83.4	Confident	117 Å²	117	71.9 Å²	71.9	55%	0.547	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	144.3	173.1	-61.3	-174.3	172.1	0	0	110.2	I41 S42 I280	E26-I41 WeakPolarHBondContact O-CA 2.98Å; E26-S42 PolarHBondContact N-O 3.47Å; E26-S42 PolarHBondContact O-N 3.31Å; E26-I280 HydrophobicContact CB-CD1 4.15Å; E26-I280 HydrophobicContact CB-CG1 3.79Å
27	Y	89.3	Confident	84.8	Confident	33 Å²	33	67.5 Å²	67.5	13%	0.129	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	142.6	-177.5	-63.2	-91.6	0	0	0	110.9	V17 K19 D23 R25 L39 L40 I41 L439	V17-Y27 HydrophobicContact CG1-CG 4.09Å; K19-Y27 HydrophobicContact CB-CE2 4.3Å; K19-Y27 HydrophobicContact CD-CD2 3.89Å; K19-Y27 HydrophobicContact CD-CE2 3.82Å; D23-Y27 WeakPolarHBondContact OD2-CE2 3.32Å; D23-Y27 PolarHBondContact OD2-OH 3.28Å; R25-Y27 HydrophobicContact CB-CE2 3.81Å; R25-Y27 PolarHBondContact NE-OH 3.46Å; R25-Y27 PolarHBondContact NH2-OH 3.36Å; R25-Y27 VanDerWaalsContact NH2-OH 3.09Å; R25-Y27 WeakPolarHBondContact O-CD2 3.26Å; R25-Y27 WeakPolarHBondContact O-CE2 3.28Å; Y27-L39 HydrophobicContact CD1-CD1 4.25Å; Y27-L40 VanDerWaalsContact CA-O 3.31Å; Y27-L40 WeakPolarHBondContact CA-O 3.42Å; Y27-I41 HydrophobicContact CD1-CB 4.41Å; Y27-I41 HydrophobicContact CD1-CD1 4.38Å; Y27-I41 HydrophobicContact CD1-CG1 3.81Å; Y27-I41 HydrophobicContact CD1-CG2 4.21Å; Y27-I41 HydrophobicContact CE1-CB 4.3Å; Y27-I41 HydrophobicContact CE1-CD1 3.93Å; Y27-I41 HydrophobicContact CE1-CG1 3.77Å; Y27-I41 HydrophobicContact CE1-CG2 3.73Å; Y27-L439 HydrophobicContact CD1-CD2 4.09Å; Y27-L439 HydrophobicContact CD2-CD2 4.19Å; Y27-L439 HydrophobicContact CE1-CD1 3.68Å; Y27-L439 HydrophobicContact CE1-CD2 3.59Å; Y27-L439 HydrophobicContact CE1-CG 4.28Å; Y27-L439 HydrophobicContact CE2-CD2 3.7Å; Y27-L439 HydrophobicContact CG-CD2 4.37Å; Y27-L439 WeakPolarHBondContact OH-CD1 3.34Å
28	K	86.9	Confident	85.9	Confident	67 Å²	67	65.9 Å²	65.9	29%	0.291	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	123.6	170.2	-176.1	172	-175.4	172.3	0	110.7	L39 L40 I280	K28-L39 WeakPolarHBondContact O-CA 3.4Å; K28-L40 HydrophobicContact CB-CB 4.36Å; K28-L40 PolarHBondContact N-O 3.41Å; K28-L40 PolarHBondContact O-N 3.49Å; K28-I280 HydrophobicContact CB-CD1 4.32Å; K28-I280 HydrophobicContact CB-CG2 3.63Å; K28-I280 HydrophobicContact CD-CG2 3.39Å; K28-I280 HydrophobicContact CG-CG2 4.16Å
29	V	86.1	Confident	87	Confident	30 Å²	30	60.2 Å²	60.2	18%	0.182	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	132.5	168.9	179.1	0	0	0	0	108.4	V17 V38 L39	V17-V29 HydrophobicContact CG2-CG2 3.67Å; V29-V38 WeakPolarHBondContact CA-O 3.37Å; V29-L39 HydrophobicContact CG2-CD1 3.68Å
30	M	87.2	Confident	87.9	Confident	27 Å²	27	56.3 Å²	56.3	13%	0.133	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	173.3	177.1	65.4	178.6	-73.1	0	0	111.4	L32 V38 L40 Q284 E288	M30-L32 HydrophobicContact CE-CD2 3.86Å; M30-V38 HydrophobicContact CG-CB 3.83Å; M30-V38 HydrophobicContact CG-CG1 4.37Å; M30-V38 PolarHBondContact N-O 2.64Å; M30-V38 PolarHBondContact O-N 2.98Å; M30-L40 HydrophobicContact SD-CD1 3.92Å; M30-Q284 HydrophobicContact CE-CG 3.89Å; M30-Q284 HydrophobicContact SD-CB 4.2Å; M30-Q284 HydrophobicContact SD-CG 3.72Å; M30-E288 HydrophobicContact CE-CG 4.36Å
31	R	89.6	Confident	88.8	Confident	127 Å²	127	54.8 Å²	54.8	48%	0.479	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	130.1	173.6	-164.7	179.7	-166.1	175.5	4.2	108.8	R35 M36	R31-R35 PolarHBondContact NE-O 3.18Å; R31-M36 CarbonylContact C-O 3.48Å; R31-M36 WeakPolarHBondContact CA-O 3.35Å; R31-M36 WeakPolarHBondContact CG-O 3.4Å
32	L	93.1	Very high	89.8	Confident	10 Å²	10	50.2 Å²	50.2	5%	0.052	24%	0.243	C	C	.	.			trans	-72.9	166.6	176.1	-65.9	179.1	0	0	0	111.2	M30 N34 R35 M36 V38 E288 F291	M30-L32 HydrophobicContact CE-CD2 3.86Å; L32-N34 VanDerWaalsContact CB-OD1 3.24Å; L32-N34 WeakPolarHBondContact CB-OD1 3.41Å; L32-N34 PolarHBondContact O-N 3.05Å; L32-R35 PolarHBondContact O-N 3.5Å; L32-M36 HydrophobicContact CB-CB 4.36Å; L32-M36 HydrophobicContact CD1-CB 4.24Å; L32-M36 HydrophobicContact CD1-SD 4.14Å; L32-M36 PolarHBondContact N-O 3.34Å; L32-V38 HydrophobicContact CD1-CG2 4.01Å; L32-V38 HydrophobicContact CD2-CG2 4.47Å; L32-V38 HydrophobicContact CG-CG2 3.78Å; L32-E288 HydrophobicContact CD2-CB 4.44Å; L32-E288 HydrophobicContact CD2-CG 3.69Å; L32-F291 HydrophobicContact CD1-CB 3.8Å
33	C	93.3	Very high	90.8	Very high	112 Å²	112	46.8 Å²	46.8	76%	0.757	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-30.2	178.7	60.1	0	0	0	0	112.9	R35	C33-R35 PolarHBondContact O-N 3.49Å
34	N	95.1	Very high	91.5	Very high	12 Å²	12	50 Å²	50	6%	0.064	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	20.1	174.2	68	-1.3	0	0	0	113.3	L32 M36 S267 F291 S292 V294 D296	L32-N34 VanDerWaalsContact CB-OD1 3.24Å; L32-N34 WeakPolarHBondContact CB-OD1 3.41Å; L32-N34 PolarHBondContact O-N 3.05Å; N34-M36 PolarHBondContact O-N 3.44Å; N34-M36 VanDerWaalsContact O-N 3.09Å; N34-M36 WeakPolarHBondContact OD1-CB 3.23Å; N34-M36 PolarHBondContact OD1-N 3.05Å; N34-S267 VanDerWaalsContact O-CB 3.3Å; N34-S267 WeakPolarHBondContact O-CB 3.4Å; N34-S267 PolarHBondContact O-OG 3.42Å; N34-F291 PolarHBondContact ND2-O 3.46Å; N34-S292 PolarHBondContact ND2-O 3.38Å; N34-V294 PolarHBondContact ND2-O 3.21Å; N34-D296 HydrophobicContact CB-CB 4.37Å
35	R	93.4	Very high	91.6	Very high	75 Å²	75	48.8 Å²	48.8	28%	0.283	24%	0.236	S	C	.	.			trans	66.1	2.6	176.9	-64.8	-169.3	-60.7	177	-4.9	116.9	R31 L32 C33 N268 D296 N298	R31-R35 PolarHBondContact NE-O 3.18Å; L32-R35 PolarHBondContact O-N 3.5Å; C33-R35 PolarHBondContact O-N 3.49Å; R35-N268 HydrophobicContact CB-CB 4.11Å; R35-D296 IonicContact CZ-OD1 3.4Å; R35-D296 IonicContact CZ-OD2 3.21Å; R35-D296 IonicContact NE-OD1 3.24Å; R35-D296 IonicContact NE-OD2 3.39Å; R35-D296 PolarHBondContact NE-OD2 3.44Å; R35-D296 IonicContact NH2-OD1 2.94Å; R35-D296 PolarHBondContact NH2-OD1 3.15Å; R35-D296 IonicContact NH2-OD2 3.61Å; R35-D296 PolarHBondContact NH2-OD2 3.16Å; R35-N298 PolarHBondContact NH1-OD1 3.24Å; R35-N298 VanDerWaalsContact NH2-CA 3.26Å; R35-N298 PolarHBondContact NH2-OD1 2.88Å
36	M	93.8	Very high	91.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.227	C	C	.	.			trans	-60.9	135.3	171.9	-175.2	-177.6	-61.8	0	0	110.5	R31 L32 N34 V38 L53 S267 M270 L272 F291 V294	R31-M36 CarbonylContact C-O 3.48Å; R31-M36 WeakPolarHBondContact CA-O 3.35Å; R31-M36 WeakPolarHBondContact CG-O 3.4Å; L32-M36 HydrophobicContact CB-CB 4.36Å; L32-M36 HydrophobicContact CD1-CB 4.24Å; L32-M36 HydrophobicContact CD1-SD 4.14Å; L32-M36 PolarHBondContact N-O 3.34Å; N34-M36 PolarHBondContact O-N 3.44Å; N34-M36 VanDerWaalsContact O-N 3.09Å; N34-M36 WeakPolarHBondContact OD1-CB 3.23Å; N34-M36 PolarHBondContact OD1-N 3.05Å; M36-V38 HydrophobicContact CG-CG2 4.46Å; M36-L53 HydrophobicContact CE-CD1 4.49Å; M36-S267 VanDerWaalsContact CA-O 3.29Å; M36-S267 WeakPolarHBondContact CA-O 3.21Å; M36-M270 HydrophobicContact CE-CB 3.98Å; M36-M270 HydrophobicContact CE-SD 3.8Å; M36-M270 HydrophobicContact CG-CB 3.99Å; M36-M270 WeakPolarHBondContact CG-O 3.42Å; M36-M270 HydrophobicContact SD-CB 4.43Å; M36-L272 HydrophobicContact SD-CB 3.95Å; M36-L272 HydrophobicContact SD-CD2 4.17Å; M36-F291 HydrophobicContact CE-CB 4.09Å; M36-F291 HydrophobicContact CE-CD1 4.28Å; M36-F291 HydrophobicContact SD-CB 3.94Å; M36-F291 HydrophobicContact SD-CD1 4.33Å; M36-F291 HydrophobicContact SD-CG 4.31Å; M36-V294 HydrophobicContact CE-CB 4.03Å; M36-V294 HydrophobicContact CE-CG1 4.2Å; M36-V294 HydrophobicContact CE-CG2 4.05Å
37	K	91.4	Very high	91.3	Very high	48 Å²	48	41.9 Å²	41.9	21%	0.209	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	136.5	177.8	-53.3	176.4	-177.2	171.9	0	109.3	I7 N8 M270 S271 L272	I7-K37 HydrophobicContact CG2-CB 3.34Å; I7-K37 HydrophobicContact CG2-CD 4.03Å; I7-K37 HydrophobicContact CG2-CG 4.29Å; I7-K37 WeakPolarHBondContact O-CD 3.35Å; N8-K37 PolarHBondContact O-NZ 3.26Å; K37-M270 PolarHBondContact N-O 2.96Å; K37-M270 VanDerWaalsContact N-O 3.15Å; K37-S271 CarbonylContact O-C 3.54Å; K37-S271 WeakPolarHBondContact O-CA 3.44Å; K37-L272 PolarHBondContact O-N 2.92Å
38	V	91	Very high	91.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	134.8	-173.7	-173.3	0	0	0	0	110.8	V29 M30 L32 M36 L40 L272 A287	V29-V38 WeakPolarHBondContact CA-O 3.37Å; M30-V38 HydrophobicContact CG-CB 3.83Å; M30-V38 HydrophobicContact CG-CG1 4.37Å; M30-V38 PolarHBondContact N-O 2.64Å; M30-V38 PolarHBondContact O-N 2.98Å; L32-V38 HydrophobicContact CD1-CG2 4.01Å; L32-V38 HydrophobicContact CD2-CG2 4.47Å; L32-V38 HydrophobicContact CG-CG2 3.78Å; M36-V38 HydrophobicContact CG-CG2 4.46Å; V38-L40 HydrophobicContact CG1-CD2 3.53Å; V38-L40 HydrophobicContact CG1-CG 4.07Å; V38-L272 CarbonylContact C-O 3.34Å; V38-L272 VanDerWaalsContact CA-O 3.28Å; V38-L272 WeakPolarHBondContact CA-O 3.47Å; V38-L272 HydrophobicContact CG1-CB 4.49Å; V38-L272 HydrophobicContact CG1-CD2 4.21Å; V38-L272 HydrophobicContact CG1-CG 4.36Å; V38-L272 HydrophobicContact CG2-CB 4.28Å; V38-L272 HydrophobicContact CG2-CD2 4.24Å; V38-A287 HydrophobicContact CG1-CB 4.24Å
39	L	91.2	Very high	91.7	Very high	8 Å²	8	37.7 Å²	37.7	4%	0.042	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	124.3	165.1	175.3	70.1	0	0	0	109.6	I3 I7 Y27 K28 V29 I41 L272 V273 I274	I3-L39 HydrophobicContact CG2-CD2 3.34Å; I7-L39 HydrophobicContact CD1-CB 3.37Å; I7-L39 HydrophobicContact CD1-CD2 4.11Å; I7-L39 HydrophobicContact CD1-CG 4.37Å; I7-L39 HydrophobicContact CG1-CB 4.11Å; Y27-L39 HydrophobicContact CD1-CD1 4.25Å; K28-L39 WeakPolarHBondContact O-CA 3.4Å; V29-L39 HydrophobicContact CG2-CD1 3.68Å; L39-I41 HydrophobicContact CD2-CD1 4.27Å; L39-I41 HydrophobicContact CD2-CG1 4.37Å; L39-I41 HydrophobicContact CG-CG1 4.21Å; L39-L272 PolarHBondContact N-O 3.31Å; L39-V273 HydrophobicContact CB-CG1 4.41Å; L39-V273 HydrophobicContact CB-CG2 4.29Å; L39-V273 HydrophobicContact CD2-CG1 4.19Å; L39-V273 HydrophobicContact CG-CG1 4.43Å; L39-V273 VanDerWaalsContact O-CA 3.27Å; L39-V273 WeakPolarHBondContact O-CA 3.32Å; L39-I274 PolarHBondContact O-N 3.42Å
40	L	93.1	Very high	92.2	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	137	175.9	-52.1	175	0	0	0	109.1	Y27 K28 M30 V38 I274 I280 L283 Q284 A287	Y27-L40 VanDerWaalsContact CA-O 3.31Å; Y27-L40 WeakPolarHBondContact CA-O 3.42Å; K28-L40 HydrophobicContact CB-CB 4.36Å; K28-L40 PolarHBondContact N-O 3.41Å; K28-L40 PolarHBondContact O-N 3.49Å; M30-L40 HydrophobicContact SD-CD1 3.92Å; V38-L40 HydrophobicContact CG1-CD2 3.53Å; V38-L40 HydrophobicContact CG1-CG 4.07Å; L40-I274 CarbonylContact C-O 3.52Å; L40-I274 HydrophobicContact CD2-CB 4.16Å; L40-I274 HydrophobicContact CD2-CD1 4.38Å; L40-I274 HydrophobicContact CD2-CG1 4.47Å; L40-I280 HydrophobicContact CB-CD1 4.13Å; L40-L283 HydrophobicContact CB-CB 4.35Å; L40-L283 HydrophobicContact CB-CD1 4.49Å; L40-L283 HydrophobicContact CD1-CB 4.24Å; L40-L283 HydrophobicContact CD2-CB 4.16Å; L40-L283 HydrophobicContact CG-CB 4.48Å; L40-Q284 HydrophobicContact CD1-CB 3.72Å; L40-A287 HydrophobicContact CD2-CB 4.24Å
41	I	94.3	Very high	92.7	Very high	11 Å²	11	37 Å²	37	6%	0.056	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	109.7	179.7	-48.7	178.1	0	0	0	107.6	R25 E26 Y27 L39 V273 I274 L275 G276 L283	R25-I41 HydrophobicContact CB-CG2 4.14Å; E26-I41 WeakPolarHBondContact O-CA 2.98Å; Y27-I41 HydrophobicContact CD1-CB 4.41Å; Y27-I41 HydrophobicContact CD1-CD1 4.38Å; Y27-I41 HydrophobicContact CD1-CG1 3.81Å; Y27-I41 HydrophobicContact CD1-CG2 4.21Å; Y27-I41 HydrophobicContact CE1-CB 4.3Å; Y27-I41 HydrophobicContact CE1-CD1 3.93Å; Y27-I41 HydrophobicContact CE1-CG1 3.77Å; Y27-I41 HydrophobicContact CE1-CG2 3.73Å; L39-I41 HydrophobicContact CD2-CD1 4.27Å; L39-I41 HydrophobicContact CD2-CG1 4.37Å; L39-I41 HydrophobicContact CG-CG1 4.21Å; I41-V273 HydrophobicContact CD1-CG1 3.89Å; I41-V273 HydrophobicContact CG1-CG1 4.4Å; I41-I274 PolarHBondContact N-O 3.17Å; I41-L275 HydrophobicContact CB-CB 4.09Å; I41-L275 HydrophobicContact CB-CD1 4.35Å; I41-L275 HydrophobicContact CB-CG 4.15Å; I41-L275 HydrophobicContact CD1-CD1 4.47Å; I41-L275 HydrophobicContact CG2-CD1 4.02Å; I41-L275 HydrophobicContact CG2-CG 4.15Å; I41-L275 VanDerWaalsContact O-CA 3.3Å; I41-L275 WeakPolarHBondContact O-CA 3.43Å; I41-G276 PolarHBondContact O-N 2.77Å; I41-G276 VanDerWaalsContact O-N 3.13Å; I41-L283 WeakPolarHBondContact O-CD1 3.33Å
42	S	96.3	Very high	93	Very high	6 Å²	6	32.1 Å²	32.1	4%	0.042	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	118.7	175.4	168.9	0	0	0	0	108.8	E26 E278	E26-S42 PolarHBondContact N-O 3.47Å; E26-S42 PolarHBondContact O-N 3.31Å; S42-E278 WeakPolarHBondContact CB-O 3.46Å; S42-E278 PolarHBondContact OG-O 3.23Å; S42-E278 VanDerWaalsContact OG-O 3.13Å
43	D	94.8	Very high	93.1	Very high	37 Å²	37	31.7 Å²	31.7	20%	0.198	18%	0.177	C	C	.	.			trans	-133.3	91.6	177	-171.2	-9.6	0	0	0	109.4	R25 E45 T46 G276	R25-D43 HydrophobicContact CG-CB 3.92Å; D43-E45 PolarHBondContact O-N 2.93Å; D43-E45 VanDerWaalsContact O-N 3.09Å; D43-E45 PolarHBondContact OD1-N 3.01Å; D43-T46 HydrophobicContact CB-CG2 4.47Å; D43-T46 VanDerWaalsContact O-CG2 3.29Å; D43-T46 WeakPolarHBondContact O-CG2 3.47Å; D43-T46 PolarHBondContact O-N 3.24Å; D43-T46 VanDerWaalsContact O-N 3.14Å; D43-G276 PolarHBondContact N-O 3.46Å
44	P	93.9	Very high	93.2	Very high	86 Å²	86	26.3 Å²	26.3	56%	0.558	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-21.7	-178.3	-25.6	35.6	0	0	0	114.4
45	E	89.3	Confident	93.2	Very high	132 Å²	132	25.8 Å²	25.8	62%	0.617	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-1.8	-177	-68	-66.3	141.5	0	0	113	D43 D47 K854	D43-E45 PolarHBondContact O-N 2.93Å; D43-E45 VanDerWaalsContact O-N 3.09Å; D43-E45 PolarHBondContact OD1-N 3.01Å; E45-D47 PolarHBondContact O-N 3.41Å; E45-K854 IonicContact OE2-NZ 3.87Å; E45-K854 PolarHBondContact OE2-NZ 3.32Å
46	T	89.1	Confident	93.2	Very high	22 Å²	22	22.8 Å²	22.8	14%	0.135	13%	0.127	C	C	.	.			trans	-64.9	136.7	-177.6	-165.7	0	0	0	0	111.6	D43 K48 P118 L275 R277	D43-T46 HydrophobicContact CB-CG2 4.47Å; D43-T46 VanDerWaalsContact O-CG2 3.29Å; D43-T46 WeakPolarHBondContact O-CG2 3.47Å; D43-T46 PolarHBondContact O-N 3.24Å; D43-T46 VanDerWaalsContact O-N 3.14Å; T46-K48 VanDerWaalsContact C-N 3.33Å; T46-K48 WeakPolarHBondContact CG2-O 3.43Å; T46-K48 PolarHBondContact OG1-N 2.68Å; T46-K48 PolarHBondContact OG1-O 3.23Å; T46-P118 HydrophobicContact CG2-CG 4.47Å; T46-L275 HydrophobicContact CG2-CD2 3.93Å; T46-R277 HydrophobicContact CG2-CG 3.77Å; T46-R277 VanDerWaalsContact O-CZ 3.26Å; T46-R277 PolarHBondContact O-NE 3.02Å; T46-R277 PolarHBondContact O-NH2 2.93Å
47	D	86	Confident	93.2	Very high	37 Å²	37	22.9 Å²	22.9	20%	0.198	13%	0.128	C	C	.	.	S	Bend	trans	-83.1	-14.1	173.2	-65.6	-40.2	0	0	0	112.4	E45 P118 R277 E853 K854	E45-D47 PolarHBondContact O-N 3.41Å; D47-P118 VanDerWaalsContact O-CD 3.24Å; D47-P118 WeakPolarHBondContact O-CD 3.48Å; D47-R277 IonicContact OD1-NH2 2.62Å; D47-E853 HydrophobicContact CB-CG 4.42Å; D47-K854 VanDerWaalsContact OD2-CB 3.3Å; D47-K854 WeakPolarHBondContact OD2-CB 3.25Å; D47-K854 WeakPolarHBondContact OD2-CG 3.28Å; D47-K854 PolarHBondContact OD2-N 3.38Å
48	K	89.3	Confident	93.3	Very high	12 Å²	12	20.6 Å²	20.6	5%	0.052	12%	0.118	C	C	.	.	S	Bend	trans	-141.5	137.1	177.7	-71	-171.6	165.7	-156	0	111.4	T46 G98 D115 V116 L275	T46-K48 VanDerWaalsContact C-N 3.33Å; T46-K48 WeakPolarHBondContact CG2-O 3.43Å; T46-K48 PolarHBondContact OG1-N 2.68Å; T46-K48 PolarHBondContact OG1-O 3.23Å; K48-G98 VanDerWaalsContact CE-O 3.26Å; K48-G98 WeakPolarHBondContact CE-O 3.43Å; K48-G98 PolarHBondContact NZ-O 2.97Å; K48-D115 HydrophobicContact CD-CB 4.32Å; K48-D115 IonicContact NZ-OD1 3.61Å; K48-D115 PolarHBondContact NZ-OD1 3.06Å; K48-D115 IonicContact NZ-OD2 2.79Å; K48-V116 CarbonylContact C-O 3.21Å; K48-V116 WeakPolarHBondContact CA-O 3.46Å; K48-L275 WeakPolarHBondContact O-CD2 3.35Å
49	S	94.9	Very high	93.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	150.5	165.9	-67.5	0	0	0	0	109.7	D115 V116 P118 L275 G276	S49-D115 CarbonylContact O-C 3.6Å; S49-D115 WeakPolarHBondContact O-CA 3.36Å; S49-V116 PolarHBondContact N-O 3.26Å; S49-V116 PolarHBondContact O-N 3.42Å; S49-P118 WeakPolarHBondContact OG-CA 3.5Å; S49-L275 CarbonylContact C-O 3.6Å; S49-L275 VanDerWaalsContact CA-O 3.27Å; S49-L275 WeakPolarHBondContact CA-O 3.42Å; S49-L275 VanDerWaalsContact CB-O 3.26Å; S49-L275 WeakPolarHBondContact CB-O 3.43Å; S49-G276 WeakPolarHBondContact OG-CA 3.48Å
50	A	96.3	Very high	93.4	Very high	36 Å²	36	20.3 Å²	20.3	30%	0.298	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	147.8	-177.1	0	0	0	0	0	112.3	F114 D115 L275	A50-F114 CarbonylContact C-O 3.55Å; A50-F114 VanDerWaalsContact CA-O 3.26Å; A50-F114 WeakPolarHBondContact CA-O 3.09Å; A50-D115 HydrophobicContact CB-CB 4.25Å; A50-L275 HydrophobicContact CB-CB 4.48Å; A50-L275 PolarHBondContact N-O 3.01Å; A50-L275 PolarHBondContact O-N 3.3Å
51	V	97.2	Very high	93.5	Very high	5 Å²	5	21 Å²	21	3%	0.03	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	142.7	-178.5	178.4	0	0	0	0	110	V113 F114 L121 L125 F128 L272 V273 I274	V51-V113 VanDerWaalsContact O-CA 3.32Å; V51-V113 WeakPolarHBondContact O-CA 3.41Å; V51-F114 HydrophobicContact CB-CD1 3.96Å; V51-F114 HydrophobicContact CB-CE1 3.44Å; V51-F114 VanDerWaalsContact CB-CE1 3.44Å; V51-F114 HydrophobicContact CB-CE2 4.2Å; V51-F114 HydrophobicContact CB-CZ 3.58Å; V51-F114 HydrophobicContact CG1-CE1 3.85Å; V51-F114 HydrophobicContact CG1-CZ 4.28Å; V51-F114 HydrophobicContact CG2-CE1 3.87Å; V51-F114 HydrophobicContact CG2-CE2 3.97Å; V51-F114 HydrophobicContact CG2-CZ 3.45Å; V51-F114 VanDerWaalsContact CG2-CZ 3.45Å; V51-F114 PolarHBondContact N-O 3.27Å; V51-F114 PolarHBondContact O-N 2.97Å; V51-L121 HydrophobicContact CG2-CD1 3.77Å; V51-L125 HydrophobicContact CG1-CD2 4.05Å; V51-L125 HydrophobicContact CG2-CD2 3.86Å; V51-L125 HydrophobicContact CG2-CG 4.34Å; V51-F128 HydrophobicContact CG1-CD1 4.23Å; V51-F128 HydrophobicContact CG1-CE1 3.85Å; V51-L272 HydrophobicContact CG1-CD1 3.84Å; V51-V273 VanDerWaalsContact CA-O 3.3Å; V51-V273 WeakPolarHBondContact CA-O 3.46Å; V51-I274 HydrophobicContact CG2-CG1 4.41Å; V51-I274 HydrophobicContact CG2-CG2 4.24Å
52	C	95.8	Very high	93.4	Very high	26 Å²	26	20.6 Å²	20.6	18%	0.176	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	127.8	170.6	176.7	0	0	0	0	109.5	Y112 V113 L272 V273	C52-Y112 CarbonylContact C-O 3.53Å; C52-Y112 WeakPolarHBondContact CA-O 3.39Å; C52-V113 HydrophobicContact CB-CG1 3.87Å; C52-L272 CarbonylContact O-C 3.54Å; C52-L272 WeakPolarHBondContact O-CA 3.32Å; C52-V273 HydrophobicContact CB-CB 4.32Å; C52-V273 PolarHBondContact N-O 3.17Å; C52-V273 PolarHBondContact O-N 3.42Å
53	L	96.5	Very high	93.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126	168.2	-171.4	156	0	0	0	109.1	M36 V55 Y112 F128 F132 M270 S271 L272 F291	M36-L53 HydrophobicContact CE-CD1 4.49Å; L53-V55 HydrophobicContact CD2-CG2 3.95Å; L53-Y112 PolarHBondContact N-O 3.29Å; L53-Y112 PolarHBondContact O-N 2.84Å; L53-F128 HydrophobicContact CB-CE1 3.87Å; L53-F128 HydrophobicContact CB-CZ 3.9Å; L53-F132 HydrophobicContact CB-CE2 4.37Å; L53-F132 HydrophobicContact CB-CZ 4.24Å; L53-F132 HydrophobicContact CD1-CD1 4.49Å; L53-F132 HydrophobicContact CD1-CD2 3.77Å; L53-F132 HydrophobicContact CD1-CE1 4.43Å; L53-F132 HydrophobicContact CD1-CE2 3.71Å; L53-F132 HydrophobicContact CD1-CG 4.18Å; L53-F132 HydrophobicContact CD1-CZ 4.05Å; L53-F132 HydrophobicContact CD2-CD1 4.03Å; L53-F132 HydrophobicContact CD2-CE1 3.56Å; L53-F132 HydrophobicContact CD2-CE2 4.2Å; L53-F132 HydrophobicContact CD2-CZ 3.66Å; L53-F132 HydrophobicContact CG-CE2 4.31Å; L53-F132 HydrophobicContact CG-CZ 4.19Å; L53-M270 HydrophobicContact CD1-SD 4.46Å; L53-M270 HydrophobicContact CD2-CB 4.41Å; L53-M270 HydrophobicContact CD2-CG 4.19Å; L53-M270 HydrophobicContact CD2-SD 4.14Å; L53-S271 WeakPolarHBondContact CA-O 3.29Å; L53-L272 HydrophobicContact CB-CD1 4.16Å; L53-L272 HydrophobicContact CD1-CD1 4.32Å; L53-F291 HydrophobicContact CD1-CD1 3.96Å; L53-F291 HydrophobicContact CD1-CE1 3.62Å
54	S	94.9	Very high	92.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	132.2	175.2	-164.9	0	0	0	0	110.8	V4 T110 S111 M270 S271	V4-S54 VanDerWaalsContact CG1-CB 3.42Å; S54-T110 WeakPolarHBondContact CA-O 3.49Å; S54-S111 PolarHBondContact OG-OG 2.65Å; S54-M270 WeakPolarHBondContact O-CA 3.03Å; S54-S271 PolarHBondContact N-O 3.09Å; S54-S271 PolarHBondContact O-N 3.22Å
55	V	95.7	Very high	92.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	125.3	168.7	-169.8	0	0	0	0	107.1	L53 I57 K109 T110 Y112 F132 Y265 M270	L53-V55 HydrophobicContact CD2-CG2 3.95Å; V55-I57 HydrophobicContact CG1-CB 4.29Å; V55-I57 PolarHBondContact O-N 3.42Å; V55-K109 CarbonylContact O-C 3.57Å; V55-K109 WeakPolarHBondContact O-CA 3.35Å; V55-K109 WeakPolarHBondContact O-CB 3.3Å; V55-T110 PolarHBondContact N-O 3.41Å; V55-T110 PolarHBondContact O-N 2.85Å; V55-Y112 HydrophobicContact CG2-CE2 4.49Å; V55-F132 HydrophobicContact CG2-CE1 4.43Å; V55-Y265 HydrophobicContact CG2-CD1 4.07Å; V55-Y265 HydrophobicContact CG2-CE1 3.89Å; V55-M270 HydrophobicContact CG2-CE 4.12Å; V55-M270 HydrophobicContact CG2-CG 4.16Å
56	N	92.5	Very high	92.4	Very high	12 Å²	12	21.5 Å²	21.5	6%	0.064	12%	0.116	C	C	.	.	S	Bend	trans	-75.8	47.3	178.2	-64.8	-10	0	0	0	112.2	N8 D108 L269	N8-N56 VanDerWaalsContact CG-ND2 3.32Å; N8-N56 PolarHBondContact ND2-ND2 3.34Å; N8-N56 VanDerWaalsContact ND2-ND2 3.16Å; N8-N56 PolarHBondContact ND2-OD1 3.23Å; N8-N56 PolarHBondContact OD1-ND2 2.96Å; N8-N56 VanDerWaalsContact OD1-ND2 3.16Å; N56-D108 CarbonylContact C-O 3.52Å; N56-L269 PolarHBondContact N-O 3.42Å
57	I	94.6	Very high	92.4	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.015	12%	0.115	C	C	.	.			trans	-139.4	133.2	171.4	-65.9	-65.5	0	0	0	108.4	V55 D108 K109 T110 F260 W264 L269 P302	V55-I57 HydrophobicContact CG1-CB 4.29Å; V55-I57 PolarHBondContact O-N 3.42Å; I57-D108 CarbonylContact C-O 3.55Å; I57-D108 VanDerWaalsContact CA-O 3.29Å; I57-D108 WeakPolarHBondContact CA-O 3.46Å; I57-D108 PolarHBondContact N-O 3.37Å; I57-K109 CarbonylContact O-C 3.46Å; I57-K109 WeakPolarHBondContact O-CA 3.45Å; I57-T110 PolarHBondContact O-N 3.2Å; I57-T110 PolarHBondContact O-OG1 3.13Å; I57-F260 HydrophobicContact CG2-CE1 4.49Å; I57-F260 HydrophobicContact CG2-CZ 3.84Å; I57-W264 HydrophobicContact CB-CB 4.24Å; I57-W264 HydrophobicContact CD1-CD2 3.94Å; I57-W264 HydrophobicContact CD1-CE3 3.33Å; I57-W264 HydrophobicContact CD1-CZ3 3.74Å; I57-W264 HydrophobicContact CG1-CB 3.97Å; I57-W264 HydrophobicContact CG1-CD2 4.14Å; I57-W264 HydrophobicContact CG1-CE3 3.79Å; I57-W264 HydrophobicContact CG1-CG 4.25Å; I57-W264 HydrophobicContact CG2-CB 3.89Å; I57-W264 HydrophobicContact CG2-CD2 4.19Å; I57-W264 HydrophobicContact CG2-CG 3.86Å; I57-L269 HydrophobicContact CD1-CD1 4.12Å; I57-L269 HydrophobicContact CG1-CD1 3.82Å; I57-P302 VanDerWaalsContact CD1-CD 3.46Å; I57-P302 HydrophobicContact CD1-CG 3.92Å
58	G	92.9	Very high	92.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.105	C	C	.	.			trans	-138.5	-158.2	176.9	0	0	0	0	0	112.2	L60 S61 S106 P107 D108	G58-L60 VanDerWaalsContact C-N 3.26Å; G58-L60 PolarHBondContact O-N 2.94Å; G58-S61 WeakPolarHBondContact O-CB 3.34Å; G58-S61 PolarHBondContact O-N 3.28Å; G58-S106 WeakPolarHBondContact CA-O 3.37Å; G58-P107 CarbonylContact C-O 3.18Å; G58-P107 WeakPolarHBondContact CA-O 3.49Å; G58-D108 PolarHBondContact N-O 3.35Å
59	S	92.6	Very high	92.7	Very high	1 Å²	1	19 Å²	19	1%	0.007	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-64.2	-18.3	-172.6	57.3	0	0	0	0	115.9	S61 D62 S106 P107 F235	S59-S61 PolarHBondContact O-N 3.44Å; S59-D62 VanDerWaalsContact O-CB 3.3Å; S59-D62 WeakPolarHBondContact O-CB 3.29Å; S59-D62 PolarHBondContact O-N 3.49Å; S59-D62 VanDerWaalsContact O-N 3.16Å; S59-S106 PolarHBondContact N-O 2.99Å; S59-S106 PolarHBondContact OG-O 2.85Å; S59-P107 PolarHBondContact N-O 2.93Å; S59-P107 WeakPolarHBondContact OG-CA 3.33Å; S59-F235 VanDerWaalsContact OG-CB 3.25Å; S59-F235 WeakPolarHBondContact OG-CB 3.37Å
60	L	92.5	Very high	92.6	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-65.6	-24.9	172.8	-67.5	172.6	0	0	0	111.9	G58 D62 P107 D230 Y231 K233 W304 E383 I386	G58-L60 VanDerWaalsContact C-N 3.26Å; G58-L60 PolarHBondContact O-N 2.94Å; L60-D62 VanDerWaalsContact C-N 3.29Å; L60-P107 VanDerWaalsContact CB-O 3.29Å; L60-P107 WeakPolarHBondContact CB-O 3.36Å; L60-P107 HydrophobicContact CD1-CB 3.65Å; L60-P107 HydrophobicContact CD2-CB 4.39Å; L60-P107 HydrophobicContact CG-CB 3.65Å; L60-P107 WeakPolarHBondContact CG-O 3.49Å; L60-P107 PolarHBondContact N-O 2.86Å; L60-D230 HydrophobicContact CD2-CB 4.37Å; L60-D230 WeakPolarHBondContact CD2-O 3.46Å; L60-Y231 HydrophobicContact CD2-CD2 4.44Å; L60-K233 PolarHBondContact O-NZ 3.44Å; L60-W304 HydrophobicContact CB-CH2 3.48Å; L60-W304 VanDerWaalsContact CB-CH2 3.48Å; L60-W304 HydrophobicContact CB-CZ2 3.34Å; L60-W304 HydrophobicContact CB-CZ3 4.31Å; L60-W304 HydrophobicContact CD1-CD2 4.27Å; L60-W304 HydrophobicContact CD1-CE3 4.09Å; L60-W304 HydrophobicContact CD1-CH2 3.97Å; L60-W304 HydrophobicContact CD1-CZ2 4.18Å; L60-W304 HydrophobicContact CD1-CZ3 3.94Å; L60-W304 HydrophobicContact CG-CH2 4.38Å; L60-W304 HydrophobicContact CG-CZ2 4.34Å; L60-E383 HydrophobicContact CD1-CB 4.4Å; L60-I386 HydrophobicContact CD1-CD1 4.11Å
61	S	93.3	Very high	92.4	Very high	16 Å²	16	18 Å²	18	11%	0.112	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-85.8	3	176.9	-58.8	0	0	0	0	113.6	G58 S59	G58-S61 WeakPolarHBondContact O-CB 3.34Å; G58-S61 PolarHBondContact O-N 3.28Å; S59-S61 PolarHBondContact O-N 3.44Å
62	D	92.6	Very high	92.1	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.011	9%	0.09	C	C	.	.	S	Bend	trans	-60	139.6	178.4	-74.2	-16.9	0	0	0	111.4	S59 L60 K64 G68 L69 A70 K233	S59-D62 VanDerWaalsContact O-CB 3.3Å; S59-D62 WeakPolarHBondContact O-CB 3.29Å; S59-D62 PolarHBondContact O-N 3.49Å; S59-D62 VanDerWaalsContact O-N 3.16Å; L60-D62 VanDerWaalsContact C-N 3.29Å; D62-K64 PolarHBondContact O-N 3.39Å; D62-G68 VanDerWaalsContact OD2-CA 3.3Å; D62-G68 WeakPolarHBondContact OD2-CA 3.46Å; D62-G68 PolarHBondContact OD2-N 2.92Å; D62-L69 PolarHBondContact OD1-N 3.48Å; D62-L69 PolarHBondContact OD2-N 3.21Å; D62-A70 WeakPolarHBondContact OD1-CB 3.47Å; D62-A70 PolarHBondContact OD1-N 3.25Å; D62-K233 HydrophobicContact CB-CD 4.32Å; D62-K233 VanDerWaalsContact O-CE 3.28Å; D62-K233 WeakPolarHBondContact O-CE 3.47Å; D62-K233 PolarHBondContact O-NZ 3.03Å
63	P	91.7	Very high	91.9	Very high	41 Å²	41	16.5 Å²	16.5	27%	0.266	8%	0.082	S	C	.	.			trans	-58.7	138.5	167.9	-21.3	33.4	0	0	0	110.3	E65 L66 L69	P63-E65 PolarHBondContact O-N 3.03Å; P63-L66 CarbonylContact O-C 3.49Å; P63-L66 PolarHBondContact O-N 3.41Å; P63-L69 HydrophobicContact CG-CD2 3.69Å
64	K	86.9	Confident	91.7	Very high	146 Å²	146	16.8 Å²	16.8	64%	0.635	8%	0.084	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-28	178.2	-67.4	-175.4	177.3	-177	0	113.2	D62	D62-K64 PolarHBondContact O-N 3.39Å
65	E	86.8	Confident	91.3	Very high	93 Å²	93	17.3 Å²	17.3	44%	0.435	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-24.4	179.7	-46.5	-69.6	-176.8	0	0	113.4	P63 K249	P63-E65 PolarHBondContact O-N 3.03Å; E65-K249 WeakPolarHBondContact OE2-CD 3.19Å; E65-K249 IonicContact OE2-NZ 3.45Å; E65-K249 PolarHBondContact OE2-NZ 3.17Å
66	L	88.2	Confident	91	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.086	C	C	.	.	S	Bend	trans	-135.9	69.6	-173.1	-67.3	172.8	0	0	0	111.5	P63 G68 L69 V251 T253 K256	P63-L66 CarbonylContact O-C 3.49Å; P63-L66 PolarHBondContact O-N 3.41Å; L66-G68 PolarHBondContact O-N 2.68Å; L66-L69 HydrophobicContact CB-CB 4.32Å; L66-L69 HydrophobicContact CD1-CD1 4.34Å; L66-L69 HydrophobicContact CD1-CD2 4.28Å; L66-L69 WeakPolarHBondContact O-CB 3.31Å; L66-L69 PolarHBondContact O-N 2.8Å; L66-V251 HydrophobicContact CD1-CG1 4.05Å; L66-V251 HydrophobicContact CG-CG1 4.43Å; L66-T253 HydrophobicContact CD1-CG2 4.38Å; L66-T253 HydrophobicContact CD2-CG2 4.45Å; L66-K256 HydrophobicContact CD1-CB 3.4Å; L66-K256 HydrophobicContact CD1-CG 3.64Å
67	P	89.4	Confident	91	Very high	17 Å²	17	16.8 Å²	16.8	11%	0.11	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	131	173	-19.3	30.7	0	0	0	111.7	F234 S241	P67-F234 CarbonylContact C-O 3.52Å; P67-F234 HydrophobicContact CB-CB 3.93Å; P67-F234 HydrophobicContact CB-CD1 4.36Å; P67-F234 WeakPolarHBondContact CB-O 3.25Å; P67-S241 WeakPolarHBondContact O-CB 3.23Å; P67-S241 PolarHBondContact O-OG 3.1Å
68	G	89.7	Confident	90.7	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.6	6.9	-175.7	0	0	0	0	0	115	D62 L66 A70 H71 F72 F234	D62-G68 VanDerWaalsContact OD2-CA 3.3Å; D62-G68 WeakPolarHBondContact OD2-CA 3.46Å; D62-G68 PolarHBondContact OD2-N 2.92Å; L66-G68 PolarHBondContact O-N 2.68Å; G68-A70 PolarHBondContact O-N 2.84Å; G68-H71 PolarHBondContact O-N 3.27Å; G68-F72 WeakPolarHBondContact O-CB 3.32Å; G68-F72 PolarHBondContact O-N 3.32Å; G68-F234 PolarHBondContact N-O 2.68Å
69	L	92	Very high	90.3	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-66.1	-35.3	-175.3	-170.3	66	0	0	0	113.4	D62 P63 L66 F72 C73 T253 K256 L257 F260	D62-L69 PolarHBondContact OD1-N 3.48Å; D62-L69 PolarHBondContact OD2-N 3.21Å; P63-L69 HydrophobicContact CG-CD2 3.69Å; L66-L69 HydrophobicContact CB-CB 4.32Å; L66-L69 HydrophobicContact CD1-CD1 4.34Å; L66-L69 HydrophobicContact CD1-CD2 4.28Å; L66-L69 WeakPolarHBondContact O-CB 3.31Å; L66-L69 PolarHBondContact O-N 2.8Å; L69-F72 HydrophobicContact CD1-CD1 4.14Å; L69-F72 PolarHBondContact O-N 3.06Å; L69-C73 WeakPolarHBondContact O-CB 3.48Å; L69-C73 PolarHBondContact O-N 3.01Å; L69-T253 HydrophobicContact CD1-CG2 4.4Å; L69-K256 HydrophobicContact CD2-CB 4.22Å; L69-L257 HydrophobicContact CD1-CB 4.3Å; L69-F260 HydrophobicContact CD2-CB 3.81Å; L69-F260 HydrophobicContact CD2-CD2 4.05Å; L69-F260 HydrophobicContact CD2-CG 4.11Å; L69-F260 HydrophobicContact CG-CB 4.39Å; L69-F260 HydrophobicContact CG-CD2 4.47Å; L69-F260 HydrophobicContact CG-CG 4.38Å
70	A	93.3	Very high	90.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61.7	-45.9	174.5	0	0	0	0	0	111	D62 G68 C73 E74 T105 F260	D62-A70 WeakPolarHBondContact OD1-CB 3.47Å; D62-A70 PolarHBondContact OD1-N 3.25Å; G68-A70 PolarHBondContact O-N 2.84Å; A70-C73 WeakPolarHBondContact O-CB 3.49Å; A70-C73 PolarHBondContact O-N 2.69Å; A70-E74 PolarHBondContact O-N 2.85Å; A70-T105 HydrophobicContact CB-CG2 3.9Å; A70-F260 HydrophobicContact CB-CE1 4.1Å; A70-F260 HydrophobicContact CB-CE2 4.37Å; A70-F260 HydrophobicContact CB-CZ 3.6Å
71	H	91	Very high	90.1	Very high	15 Å²	15	18.3 Å²	18.3	7%	0.069	9%	0.092	C	C	.	.	H	α-helix	trans	-64.9	-42.1	175.8	179.8	-140.9	0	0	0	111.1	G68 C73 E74 H75 T105 E205 S236	G68-H71 PolarHBondContact O-N 3.27Å; H71-C73 VanDerWaalsContact C-N 3.32Å; H71-C73 PolarHBondContact O-N 3.03Å; H71-E74 IonicContact CD2-OE2 3.02Å; H71-E74 WeakPolarHBondContact O-CB 3.34Å; H71-E74 PolarHBondContact O-N 3.2Å; H71-E74 VanDerWaalsContact O-N 3.1Å; H71-H75 AromaticContact CD2-CD2 3.71Å; H71-H75 AromaticContact CD2-NE2 3.61Å; H71-H75 AromaticContact CE1-NE2 3.55Å; H71-H75 AromaticContact NE2-CD2 3.49Å; H71-H75 PolarHBondContact NE2-CD2 2.96Å; H71-H75 AromaticContact NE2-NE2 2.89Å; H71-H75 PolarHBondContact NE2-NE2 2.85Å; H71-H75 PolarHBondContact O-CD2 3.44Å; H71-H75 PolarHBondContact O-N 2.83Å; H71-T105 WeakPolarHBondContact CA-OG1 3.34Å; H71-T105 HydrophobicContact CB-CG2 4.31Å; H71-E205 IonicContact CE1-OE2 3.76Å; H71-E205 PolarHBondContact CE1-OE2 3.04Å; H71-E205 IonicContact NE2-OE2 3.54Å; H71-E205 PolarHBondContact NE2-OE2 3.45Å; H71-E205 VanDerWaalsContact NE2-OE2 3.14Å; H71-S236 PolarHBondContact ND1-O 3.38Å
72	F	90.3	Very high	90.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-59.9	-41.6	173.2	-173.3	-115.6	0	0	0	112.6	G68 L69 E74 H75 M76 T142 E145 I146 V202 L242 T253 L257	G68-F72 WeakPolarHBondContact O-CB 3.32Å; G68-F72 PolarHBondContact O-N 3.32Å; L69-F72 HydrophobicContact CD1-CD1 4.14Å; L69-F72 PolarHBondContact O-N 3.06Å; F72-E74 PolarHBondContact O-N 3.2Å; F72-H75 PolarHBondContact O-N 3.34Å; F72-M76 HydrophobicContact CD1-CG 4.04Å; F72-M76 HydrophobicContact CD2-CG 4.37Å; F72-M76 HydrophobicContact CE1-CG 3.7Å; F72-M76 HydrophobicContact CE1-SD 4.07Å; F72-M76 HydrophobicContact CE2-CG 4.09Å; F72-M76 HydrophobicContact CE2-SD 4.14Å; F72-M76 HydrophobicContact CG-CG 4.35Å; F72-M76 HydrophobicContact CZ-CG 3.69Å; F72-M76 HydrophobicContact CZ-SD 3.59Å; F72-M76 VanDerWaalsContact CZ-SD 3.59Å; F72-M76 WeakPolarHBondContact O-CB 3.44Å; F72-M76 WeakPolarHBondContact O-CG 3.41Å; F72-M76 PolarHBondContact O-N 3.29Å; F72-T142 HydrophobicContact CE1-CG2 4.01Å; F72-T142 HydrophobicContact CZ-CG2 4.02Å; F72-E145 HydrophobicContact CD2-CB 4.46Å; F72-E145 HydrophobicContact CE2-CB 3.38Å; F72-E145 HydrophobicContact CZ-CB 3.8Å; F72-I146 HydrophobicContact CD2-CG1 4.4Å; F72-I146 HydrophobicContact CE1-CD1 3.75Å; F72-I146 HydrophobicContact CE1-CG1 4.07Å; F72-I146 HydrophobicContact CE2-CD1 4.08Å; F72-I146 HydrophobicContact CE2-CG1 3.44Å; F72-I146 VanDerWaalsContact CE2-CG1 3.44Å; F72-I146 HydrophobicContact CZ-CD1 3.42Å; F72-I146 VanDerWaalsContact CZ-CD1 3.42Å; F72-I146 HydrophobicContact CZ-CG1 3.28Å; F72-V202 HydrophobicContact CD2-CG2 4.12Å; F72-L242 HydrophobicContact CB-CD1 3.92Å; F72-L242 HydrophobicContact CB-CD2 4.28Å; F72-L242 HydrophobicContact CD2-CD1 3.97Å; F72-L242 HydrophobicContact CG-CD1 4.08Å; F72-T253 HydrophobicContact CE1-CG2 4.3Å; F72-L257 HydrophobicContact CD1-CD1 4.34Å; F72-L257 HydrophobicContact CD1-CD2 4.22Å; F72-L257 HydrophobicContact CE1-CD2 3.9Å
73	C	92.8	Very high	90.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.7	-35.1	174.9	-171.3	0	0	0	0	112.2	L69 A70 H71 M76 L77 L257 F260	L69-C73 WeakPolarHBondContact O-CB 3.48Å; L69-C73 PolarHBondContact O-N 3.01Å; A70-C73 WeakPolarHBondContact O-CB 3.49Å; A70-C73 PolarHBondContact O-N 2.69Å; H71-C73 VanDerWaalsContact C-N 3.32Å; H71-C73 PolarHBondContact O-N 3.03Å; C73-M76 PolarHBondContact O-N 3.37Å; C73-L77 WeakPolarHBondContact O-CG 3.4Å; C73-L77 PolarHBondContact O-N 2.94Å; C73-L257 HydrophobicContact CB-CD1 3.44Å; C73-L257 VanDerWaalsContact CB-CD1 3.44Å; C73-F260 HydrophobicContact CB-CD1 4.17Å; C73-F260 HydrophobicContact CB-CE1 4.33Å
74	E	92.7	Very high	90.3	Very high	7 Å²	7	28.8 Å²	28.8	3%	0.033	14%	0.14	C	C	.	.	H	α-helix	trans	-56.4	-54.9	173.7	-171.2	-155.6	120.8	0	0	112.2	A70 H71 F72 M76 L77 F78 A103 F104 T105 T110 Y112	A70-E74 PolarHBondContact O-N 2.85Å; H71-E74 IonicContact CD2-OE2 3.02Å; H71-E74 WeakPolarHBondContact O-CB 3.34Å; H71-E74 PolarHBondContact O-N 3.2Å; H71-E74 VanDerWaalsContact O-N 3.1Å; F72-E74 PolarHBondContact O-N 3.2Å; E74-M76 VanDerWaalsContact C-N 3.33Å; E74-M76 PolarHBondContact O-N 3.43Å; E74-L77 PolarHBondContact O-N 3.37Å; E74-F78 VanDerWaalsContact O-CD2 3.31Å; E74-F78 WeakPolarHBondContact O-CD2 3.49Å; E74-A103 VanDerWaalsContact CD-CB 3.49Å; E74-A103 HydrophobicContact CG-CB 3.49Å; E74-A103 VanDerWaalsContact CG-CB 3.49Å; E74-A103 WeakPolarHBondContact OE1-CB 3.39Å; E74-F104 WeakPolarHBondContact OE2-CA 3.35Å; E74-F104 PolarHBondContact OE2-N 3.04Å; E74-T105 WeakPolarHBondContact OE2-CB 3.38Å; E74-T105 PolarHBondContact OE2-N 2.96Å; E74-T105 PolarHBondContact OE2-OG1 2.97Å; E74-T110 HydrophobicContact CB-CG2 3.98Å; E74-T110 HydrophobicContact CG-CG2 3.88Å; E74-Y112 WeakPolarHBondContact CA-OH 3.44Å; E74-Y112 HydrophobicContact CB-CE1 4.49Å; E74-Y112 HydrophobicContact CG-CE1 3.82Å
75	H	86.1	Confident	90.4	Very high	11 Å²	11	25.5 Å²	25.5	5%	0.051	13%	0.133	C	C	.	.	H	α-helix	trans	-61.8	-44	180	-74.1	-111	0	0	0	111.2	H71 F72 L77 F78 R194 A201	H71-H75 AromaticContact CD2-CD2 3.71Å; H71-H75 AromaticContact CD2-NE2 3.61Å; H71-H75 AromaticContact CE1-NE2 3.55Å; H71-H75 AromaticContact NE2-CD2 3.49Å; H71-H75 PolarHBondContact NE2-CD2 2.96Å; H71-H75 AromaticContact NE2-NE2 2.89Å; H71-H75 PolarHBondContact NE2-NE2 2.85Å; H71-H75 PolarHBondContact O-CD2 3.44Å; H71-H75 PolarHBondContact O-N 2.83Å; F72-H75 PolarHBondContact O-N 3.34Å; H75-L77 PolarHBondContact O-N 3.16Å; H75-L77 VanDerWaalsContact O-N 3.12Å; H75-F78 PolarHBondContact O-N 2.82Å; H75-R194 PolarHBondContact CE1-NH1 2.81Å; H75-A201 WeakPolarHBondContact ND1-CB 3.44Å
76	M	90	Very high	90.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.3	-21.9	-174.9	-72.2	-67.4	-51.3	0	0	114.4	F72 C73 E74 F78 L79 F137 A141 T142 E145 L257	F72-M76 HydrophobicContact CD1-CG 4.04Å; F72-M76 HydrophobicContact CD2-CG 4.37Å; F72-M76 HydrophobicContact CE1-CG 3.7Å; F72-M76 HydrophobicContact CE1-SD 4.07Å; F72-M76 HydrophobicContact CE2-CG 4.09Å; F72-M76 HydrophobicContact CE2-SD 4.14Å; F72-M76 HydrophobicContact CG-CG 4.35Å; F72-M76 HydrophobicContact CZ-CG 3.69Å; F72-M76 HydrophobicContact CZ-SD 3.59Å; F72-M76 VanDerWaalsContact CZ-SD 3.59Å; F72-M76 WeakPolarHBondContact O-CB 3.44Å; F72-M76 WeakPolarHBondContact O-CG 3.41Å; F72-M76 PolarHBondContact O-N 3.29Å; C73-M76 PolarHBondContact O-N 3.37Å; E74-M76 VanDerWaalsContact C-N 3.33Å; E74-M76 PolarHBondContact O-N 3.43Å; M76-F78 VanDerWaalsContact C-N 3.29Å; M76-F78 PolarHBondContact O-N 3.04Å; M76-L79 HydrophobicContact CE-CD1 4.23Å; M76-L79 PolarHBondContact O-N 3Å; M76-L79 HydrophobicContact SD-CD1 3.67Å; M76-F137 HydrophobicContact CB-CD1 3.58Å; M76-F137 HydrophobicContact CB-CE1 3.54Å; M76-F137 HydrophobicContact CE-CB 4.24Å; M76-F137 HydrophobicContact CE-CD1 4.08Å; M76-A141 HydrophobicContact CE-CB 4.06Å; M76-T142 WeakPolarHBondContact CE-OG1 3.36Å; M76-E145 HydrophobicContact SD-CB 3.86Å; M76-E145 HydrophobicContact SD-CG 3.66Å; M76-L257 HydrophobicContact CB-CD2 3.97Å; M76-L257 HydrophobicContact CE-CD2 4.13Å; M76-L257 HydrophobicContact CG-CD2 3.73Å
77	L	91.8	Very high	90	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-22.2	176	-70.9	-174.2	0	0	0	113.9	C73 E74 H75 L79 Y112 F131 F132 P135 F137 Y261 Y265	C73-L77 WeakPolarHBondContact O-CG 3.4Å; C73-L77 PolarHBondContact O-N 2.94Å; E74-L77 PolarHBondContact O-N 3.37Å; H75-L77 PolarHBondContact O-N 3.16Å; H75-L77 VanDerWaalsContact O-N 3.12Å; L77-L79 VanDerWaalsContact C-N 3.29Å; L77-Y112 HydrophobicContact CB-CE1 4.37Å; L77-Y112 HydrophobicContact CD1-CE1 3.9Å; L77-Y112 HydrophobicContact CD1-CE2 4.3Å; L77-Y112 WeakPolarHBondContact CD1-OH 3.43Å; L77-F131 HydrophobicContact CB-CB 4.28Å; L77-F131 HydrophobicContact CB-CD2 3.7Å; L77-F131 HydrophobicContact CB-CE2 4.23Å; L77-F131 HydrophobicContact CB-CG 4.09Å; L77-F131 HydrophobicContact CD1-CB 4.21Å; L77-F131 VanDerWaalsContact CD2-O 3.29Å; L77-F131 WeakPolarHBondContact CD2-O 3.43Å; L77-F131 WeakPolarHBondContact O-CD1 3.38Å; L77-F131 VanDerWaalsContact O-CE1 3.31Å; L77-F131 WeakPolarHBondContact O-CE1 3.5Å; L77-F131 WeakPolarHBondContact O-CZ 3.47Å; L77-F132 HydrophobicContact CD1-CE1 4.32Å; L77-P135 HydrophobicContact CD2-CB 3.46Å; L77-P135 VanDerWaalsContact CD2-CB 3.46Å; L77-P135 HydrophobicContact CD2-CG 3.7Å; L77-F137 HydrophobicContact CD2-CE1 3.65Å; L77-F137 HydrophobicContact CD2-CZ 3.52Å; L77-F137 HydrophobicContact CG-CE1 4.31Å; L77-F137 HydrophobicContact CG-CZ 4.4Å; L77-Y261 HydrophobicContact CD1-CE2 4.49Å; L77-Y261 HydrophobicContact CD2-CD2 4.22Å; L77-Y261 HydrophobicContact CD2-CE2 3.84Å; L77-Y265 HydrophobicContact CD1-CD1 4.31Å; L77-Y265 HydrophobicContact CD1-CE1 3.57Å
78	F	87.7	Confident	89.3	Confident	26 Å²	26	27.5 Å²	27.5	11%	0.114	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-15.6	177.4	-66.8	-98.8	0	0	0	112.8	E74 H75 M76 G80 Y90 A103 Y112 F131 T195	E74-F78 VanDerWaalsContact O-CD2 3.31Å; E74-F78 WeakPolarHBondContact O-CD2 3.49Å; H75-F78 PolarHBondContact O-N 2.82Å; M76-F78 VanDerWaalsContact C-N 3.29Å; M76-F78 PolarHBondContact O-N 3.04Å; F78-G80 VanDerWaalsContact C-N 3.25Å; F78-G80 PolarHBondContact O-N 3.22Å; F78-Y90 AromaticContact CD1-CD1 3.78Å; F78-Y90 HydrophobicContact CD1-CD1 3.78Å; F78-Y90 AromaticContact CD1-CE1 3.88Å; F78-Y90 HydrophobicContact CD1-CE1 3.88Å; F78-Y90 HydrophobicContact CE1-CD1 4.08Å; F78-Y90 AromaticContact CE1-CE1 3.67Å; F78-Y90 HydrophobicContact CE1-CE1 3.67Å; F78-A103 HydrophobicContact CE2-CB 3.88Å; F78-A103 HydrophobicContact CZ-CB 3.85Å; F78-Y112 AromaticContact CE2-CD1 3.91Å; F78-Y112 HydrophobicContact CE2-CD1 3.91Å; F78-Y112 HydrophobicContact CE2-CE1 4.02Å; F78-Y112 HydrophobicContact CZ-CD1 4.07Å; F78-F131 HydrophobicContact CB-CZ 4.5Å; F78-F131 AromaticContact CD1-CE2 3.9Å; F78-F131 HydrophobicContact CD1-CE2 3.9Å; F78-F131 HydrophobicContact CD1-CZ 4.04Å; F78-F131 HydrophobicContact CD2-CE2 4.25Å; F78-F131 HydrophobicContact CE1-CE2 4.08Å; F78-F131 HydrophobicContact CE2-CE2 4.41Å; F78-F131 AromaticContact CG-CE2 3.99Å; F78-F131 HydrophobicContact CG-CE2 3.99Å; F78-F131 HydrophobicContact CG-CZ 4.24Å; F78-F131 HydrophobicContact CZ-CE2 4.33Å; F78-T195 HydrophobicContact CB-CG2 3.76Å
79	L	85.5	Confident	89.2	Confident	4 Å²	4	29.4 Å²	29.4	2%	0.021	16%	0.161	C	C	.	.	S	Bend	trans	-88.3	24.6	-171.8	-66.1	162	0	0	0	114	M76 L77 E87 A141 E145 T195	M76-L79 HydrophobicContact CE-CD1 4.23Å; M76-L79 PolarHBondContact O-N 3Å; M76-L79 HydrophobicContact SD-CD1 3.67Å; L77-L79 VanDerWaalsContact C-N 3.29Å; L79-E87 HydrophobicContact CD2-CB 4.48Å; L79-E87 VanDerWaalsContact CD2-OE2 3.25Å; L79-E87 WeakPolarHBondContact CD2-OE2 2.91Å; L79-A141 HydrophobicContact CB-CB 4.17Å; L79-A141 HydrophobicContact CD1-CB 4.01Å; L79-E145 HydrophobicContact CD1-CG 3.36Å; L79-E145 WeakPolarHBondContact CD1-OE1 3.24Å; L79-T195 HydrophobicContact CB-CG2 4.43Å; L79-T195 HydrophobicContact CD2-CG2 3.14Å; L79-T195 HydrophobicContact CG-CG2 3.56Å
80	G	87.5	Confident	89	Confident	6 Å²	6	29.7 Å²	29.7	6%	0.062	16%	0.162	C	C	.	.			trans	104.8	153.2	170.7	0	0	0	0	0	115	F78 F84 L136	F78-G80 VanDerWaalsContact C-N 3.25Å; F78-G80 PolarHBondContact O-N 3.22Å; G80-F84 WeakPolarHBondContact CA-O 3.08Å; G80-L136 PolarHBondContact O-N 3.35Å; G80-L136 VanDerWaalsContact O-N 3.15Å
81	T	93.7	Very high	88.4	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.006	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-129.9	167.6	-176.2	65.2	0	0	0	0	109.4	S83 F84 P85 Q130 F131 C134	T81-S83 PolarHBondContact O-N 3.34Å; T81-F84 PolarHBondContact N-O 3.43Å; T81-F84 CarbonylContact O-C 3.01Å; T81-F84 PolarHBondContact O-N 3.45Å; T81-F84 VanDerWaalsContact O-N 3.17Å; T81-F84 VanDerWaalsContact O-O 3.11Å; T81-F84 PolarHBondContact OG1-N 3.2Å; T81-P85 WeakPolarHBondContact O-CA 3.4Å; T81-P85 VanDerWaalsContact O-N 3.08Å; T81-Q130 HydrophobicContact CG2-CB 3.73Å; T81-Q130 WeakPolarHBondContact OG1-CB 3.46Å; T81-F131 HydrophobicContact CG2-CD1 3.91Å; T81-F131 HydrophobicContact CG2-CE1 4.45Å; T81-C134 WeakPolarHBondContact CA-O 3.26Å
82	K	93.9	Very high	88	Confident	148 Å²	148	33.8 Å²	33.8	64%	0.643	18%	0.179	S	C	*	.	S	Bend	trans	-56.9	-39	179.8	-174.4	178.9	177.3	-175.2	0	113	C134 L136	K82-C134 HydrophobicContact CB-CB 4.02Å; K82-C134 PolarHBondContact N-O 3.02Å; K82-L136 HydrophobicContact CB-CD2 4.48Å
83	S	93.5	Very high	88	Confident	69 Å²	69	36.3 Å²	36.3	48%	0.483	19%	0.189	S	C	.	.	S	Bend	trans	-79.1	-27	-179.8	-55.3	0	0	0	0	112.7	T81 Q130	T81-S83 PolarHBondContact O-N 3.34Å; S83-Q130 PolarHBondContact OG-OE1 3.15Å
84	F	93.2	Very high	87.7	Confident	62 Å²	62	36.3 Å²	36.3	27%	0.272	19%	0.189	S	C	.	.	S	Bend	trans	-130.7	75.3	178.9	-57.5	-80.3	0	0	0	109.3	G80 T81 T89 D126 I127 Q130	G80-F84 WeakPolarHBondContact CA-O 3.08Å; T81-F84 PolarHBondContact N-O 3.43Å; T81-F84 CarbonylContact O-C 3.01Å; T81-F84 PolarHBondContact O-N 3.45Å; T81-F84 VanDerWaalsContact O-N 3.17Å; T81-F84 VanDerWaalsContact O-O 3.11Å; T81-F84 PolarHBondContact OG1-N 3.2Å; F84-T89 HydrophobicContact CB-CG2 4.05Å; F84-T89 HydrophobicContact CD1-CG2 3.93Å; F84-T89 HydrophobicContact CG-CG2 4.31Å; F84-D126 WeakPolarHBondContact CE2-O 2.88Å; F84-D126 HydrophobicContact CZ-CB 4.42Å; F84-I127 HydrophobicContact CB-CG2 4.41Å; F84-I127 HydrophobicContact CD1-CG1 4.08Å; F84-I127 HydrophobicContact CD2-CB 4.21Å; F84-I127 HydrophobicContact CD2-CG1 4.13Å; F84-I127 HydrophobicContact CD2-CG2 3.99Å; F84-I127 HydrophobicContact CE1-CG1 3.84Å; F84-I127 HydrophobicContact CE2-CB 4.2Å; F84-I127 HydrophobicContact CE2-CG1 3.91Å; F84-I127 HydrophobicContact CE2-CG2 4.48Å; F84-I127 HydrophobicContact CG-CG1 4.21Å; F84-I127 HydrophobicContact CG-CG2 4.12Å; F84-I127 HydrophobicContact CZ-CG1 3.75Å; F84-Q130 HydrophobicContact CD2-CG 4.03Å; F84-Q130 HydrophobicContact CE2-CG 3.94Å
85	P	90.2	Very high	87	Confident	77 Å²	77	36.5 Å²	36.5	50%	0.5	19%	0.191	S	C	.	.			trans	-77.3	-22	-168	29.8	-36.5	0	0	0	113.7	T81 E87 L136	T81-P85 WeakPolarHBondContact O-CA 3.4Å; T81-P85 VanDerWaalsContact O-N 3.08Å; P85-E87 PolarHBondContact O-N 2.82Å; P85-L136 HydrophobicContact CB-CD1 3.91Å
86	T	86	Confident	86.8	Confident	101 Å²	101	37.2 Å²	37.2	62%	0.62	20%	0.195	S	C	*	.	S	Bend	trans	-66.5	117.7	173.2	-52.2	0	0	0	0	107.8	T89	T86-T89 WeakPolarHBondContact CB-OG1 3.29Å; T86-T89 WeakPolarHBondContact O-CB 3.41Å; T86-T89 PolarHBondContact O-N 3.25Å; T86-T89 PolarHBondContact O-OG1 2.9Å
87	E	79.9	Confident	86.6	Confident	29 Å²	29	39.8 Å²	39.8	14%	0.136	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	155.5	175.4	-9.3	179.7	173.6	0	0	109.8	L79 P85 T89 R144 F196	L79-E87 HydrophobicContact CD2-CB 4.48Å; L79-E87 VanDerWaalsContact CD2-OE2 3.25Å; L79-E87 WeakPolarHBondContact CD2-OE2 2.91Å; P85-E87 PolarHBondContact O-N 2.82Å; E87-T89 PolarHBondContact O-N 3.26Å; E87-T89 VanDerWaalsContact O-N 3.17Å; E87-R144 IonicContact OE1-NH2 2.87Å; E87-R144 PolarHBondContact OE1-NH2 3.3Å; E87-R144 IonicContact OE2-CZ 3.99Å; E87-R144 IonicContact OE2-NH1 2.77Å; E87-R144 IonicContact OE2-NH2 3.8Å; E87-R144 PolarHBondContact OE2-NH2 2.79Å; E87-F196 HydrophobicContact CB-CD2 4.03Å; E87-F196 HydrophobicContact CB-CE2 3.28Å; E87-F196 HydrophobicContact CB-CZ 3.95Å; E87-F196 HydrophobicContact CG-CD2 4.36Å; E87-F196 HydrophobicContact CG-CE2 3.29Å; E87-F196 HydrophobicContact CG-CZ 3.37Å; E87-F196 VanDerWaalsContact OE1-CZ 3.31Å; E87-F196 WeakPolarHBondContact OE1-CZ 3.04Å; E87-F196 WeakPolarHBondContact OE2-CD2 3.32Å; E87-F196 WeakPolarHBondContact OE2-CE1 3.39Å; E87-F196 WeakPolarHBondContact OE2-CE2 3.39Å; E87-F196 WeakPolarHBondContact OE2-CZ 3.09Å
88	N	75	Confident	85.8	Confident	21 Å²	21	40.1 Å²	40.1	11%	0.112	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	-5.1	-172.1	-49.6	14.7	0	0	0	115.1	Y90 L91 K92 T195 F196	N88-Y90 VanDerWaalsContact C-N 3.27Å; N88-Y90 PolarHBondContact O-N 3.29Å; N88-L91 PolarHBondContact O-N 3.33Å; N88-L91 VanDerWaalsContact O-N 3.08Å; N88-K92 WeakPolarHBondContact O-CB 3.3Å; N88-K92 PolarHBondContact O-N 3.11Å; N88-T195 PolarHBondContact ND2-O 2.68Å; N88-T195 WeakPolarHBondContact OD1-CB 3.47Å; N88-T195 PolarHBondContact OD1-O 2.85Å; N88-T195 PolarHBondContact OD1-OG1 2.83Å; N88-F196 VanDerWaalsContact OD1-CD2 3.28Å; N88-F196 WeakPolarHBondContact OD1-CD2 3.34Å
89	T	87.4	Confident	85.4	Confident	41 Å²	41	38.9 Å²	38.9	25%	0.252	21%	0.205	S	C	.	.	H	α-helix	trans	-50.6	-48.2	178.6	-63.2	0	0	0	0	112.2	F84 T86 E87 L91 Y93 I127	F84-T89 HydrophobicContact CB-CG2 4.05Å; F84-T89 HydrophobicContact CD1-CG2 3.93Å; F84-T89 HydrophobicContact CG-CG2 4.31Å; T86-T89 WeakPolarHBondContact CB-OG1 3.29Å; T86-T89 WeakPolarHBondContact O-CB 3.41Å; T86-T89 PolarHBondContact O-N 3.25Å; T86-T89 PolarHBondContact O-OG1 2.9Å; E87-T89 PolarHBondContact O-N 3.26Å; E87-T89 VanDerWaalsContact O-N 3.17Å; T89-L91 PolarHBondContact O-N 2.94Å; T89-Y93 WeakPolarHBondContact O-CB 3.32Å; T89-Y93 PolarHBondContact O-N 3.09Å; T89-I127 HydrophobicContact CG2-CD1 4.27Å
90	Y	87.6	Confident	85.2	Confident	5 Å²	5	41 Å²	41	2%	0.02	22%	0.215	C	C	.	.	H	α-helix	trans	-57	-51.7	178.3	173.3	-105.6	0	0	0	111.6	F78 N88 Y93 I94 C101 F114 I127 F128 F131	F78-Y90 AromaticContact CD1-CD1 3.78Å; F78-Y90 HydrophobicContact CD1-CD1 3.78Å; F78-Y90 AromaticContact CD1-CE1 3.88Å; F78-Y90 HydrophobicContact CD1-CE1 3.88Å; F78-Y90 HydrophobicContact CE1-CD1 4.08Å; F78-Y90 AromaticContact CE1-CE1 3.67Å; F78-Y90 HydrophobicContact CE1-CE1 3.67Å; N88-Y90 VanDerWaalsContact C-N 3.27Å; N88-Y90 PolarHBondContact O-N 3.29Å; Y90-Y93 WeakPolarHBondContact O-CB 3.31Å; Y90-Y93 PolarHBondContact O-N 3.09Å; Y90-I94 HydrophobicContact CD1-CG1 4.45Å; Y90-I94 HydrophobicContact CD2-CG1 4.33Å; Y90-I94 HydrophobicContact CE1-CG1 4.06Å; Y90-I94 HydrophobicContact CE2-CD1 4Å; Y90-I94 HydrophobicContact CE2-CG1 3.92Å; Y90-I94 WeakPolarHBondContact O-CG1 3.43Å; Y90-I94 PolarHBondContact O-N 3.42Å; Y90-C101 HydrophobicContact CE1-CB 3.73Å; Y90-F114 VanDerWaalsContact OH-CB 3.27Å; Y90-F114 WeakPolarHBondContact OH-CB 3.29Å; Y90-F114 WeakPolarHBondContact OH-CD1 3.2Å; Y90-F114 WeakPolarHBondContact OH-CG 3.46Å; Y90-I127 HydrophobicContact CD2-CB 4.18Å; Y90-I127 HydrophobicContact CD2-CG2 3.84Å; Y90-I127 HydrophobicContact CG-CG2 4.27Å; Y90-F128 HydrophobicContact CE2-CB 3.92Å; Y90-F128 AromaticContact CE2-CD2 3.9Å; Y90-F128 HydrophobicContact CE2-CD2 3.9Å; Y90-F128 HydrophobicContact CE2-CG 4.38Å; Y90-F128 AromaticContact CZ-CD2 3.99Å; Y90-F131 HydrophobicContact CD1-CE2 4.42Å; Y90-F131 AromaticContact CD1-CZ 3.69Å; Y90-F131 HydrophobicContact CD1-CZ 3.69Å; Y90-F131 HydrophobicContact CD2-CE1 4.21Å; Y90-F131 HydrophobicContact CD2-CZ 4.03Å; Y90-F131 HydrophobicContact CE1-CE2 4.48Å; Y90-F131 HydrophobicContact CE1-CZ 4.15Å; Y90-F131 HydrophobicContact CE2-CZ 4.47Å; Y90-F131 HydrophobicContact CG-CE1 4.02Å; Y90-F131 AromaticContact CG-CZ 3.6Å; Y90-F131 HydrophobicContact CG-CZ 3.6Å
91	L	81.1	Confident	85	Confident	5 Å²	5	41.7 Å²	41.7	3%	0.026	22%	0.218	C	C	.	.	H	α-helix	trans	-71.8	-37.4	-171.9	171.3	63.4	0	0	0	112.7	N88 T89 T95 Y193 T195	N88-L91 PolarHBondContact O-N 3.33Å; N88-L91 VanDerWaalsContact O-N 3.08Å; T89-L91 PolarHBondContact O-N 2.94Å; L91-T95 PolarHBondContact O-N 2.99Å; L91-T95 PolarHBondContact O-OG1 3.08Å; L91-Y193 HydrophobicContact CB-CD1 4.37Å; L91-Y193 HydrophobicContact CB-CE1 4.44Å; L91-Y193 VanDerWaalsContact CD1-CA 3.47Å; L91-Y193 HydrophobicContact CD1-CD1 3.95Å; L91-Y193 HydrophobicContact CD1-CD2 4.1Å; L91-Y193 HydrophobicContact CD1-CE1 4.31Å; L91-Y193 HydrophobicContact CD1-CE2 4.49Å; L91-Y193 HydrophobicContact CD1-CG 3.78Å; L91-Y193 HydrophobicContact CD2-CD1 3.22Å; L91-Y193 HydrophobicContact CD2-CE1 4.03Å; L91-Y193 HydrophobicContact CD2-CG 3.58Å; L91-Y193 HydrophobicContact CG-CD1 3.18Å; L91-Y193 HydrophobicContact CG-CD2 4.24Å; L91-Y193 HydrophobicContact CG-CE1 3.53Å; L91-Y193 HydrophobicContact CG-CG 3.54Å; L91-T195 VanDerWaalsContact CD2-OG1 3.26Å; L91-T195 WeakPolarHBondContact CD2-OG1 3.36Å
92	K	83.2	Confident	84.6	Confident	96 Å²	96	44.2 Å²	44.2	42%	0.417	23%	0.232	S	C	.	.	H	α-helix	trans	-59.2	-49	168.9	177	165.3	174.5	51.5	0	110.6	N88 I94 T95 D96	N88-K92 WeakPolarHBondContact O-CB 3.3Å; N88-K92 PolarHBondContact O-N 3.11Å; K92-I94 PolarHBondContact O-N 3.35Å; K92-T95 PolarHBondContact O-N 3.09Å; K92-D96 WeakPolarHBondContact CE-OD2 3.35Å; K92-D96 WeakPolarHBondContact CG-OD2 3.37Å; K92-D96 IonicContact NZ-OD1 3.08Å; K92-D96 PolarHBondContact NZ-OD1 3.1Å; K92-D96 IonicContact NZ-OD2 3.48Å; K92-D96 PolarHBondContact NZ-OD2 2.67Å; K92-D96 WeakPolarHBondContact O-CB 3.37Å; K92-D96 PolarHBondContact O-N 3.45Å
93	Y	89.4	Confident	84.3	Confident	54 Å²	54	37.6 Å²	37.6	21%	0.212	21%	0.205	C	C	.	.	H	α-helix	trans	-57.4	-50.3	178.2	-171.8	-84.2	0	0	0	111.9	T89 Y90 T95 D96 H97 S120 G123 A124 I127	T89-Y93 WeakPolarHBondContact O-CB 3.32Å; T89-Y93 PolarHBondContact O-N 3.09Å; Y90-Y93 WeakPolarHBondContact O-CB 3.31Å; Y90-Y93 PolarHBondContact O-N 3.09Å; Y93-T95 VanDerWaalsContact C-N 3.29Å; Y93-T95 PolarHBondContact O-N 3.22Å; Y93-D96 PolarHBondContact O-N 3.38Å; Y93-H97 AromaticContact CD1-ND1 3.8Å; Y93-H97 AromaticContact CD2-CE1 3.57Å; Y93-H97 AromaticContact CD2-ND1 3.83Å; Y93-H97 AromaticContact CE1-ND1 3.74Å; Y93-H97 AromaticContact CE2-CE1 3.33Å; Y93-H97 WeakPolarHBondContact CE2-CE1 3.34Å; Y93-H97 AromaticContact CE2-ND1 3.78Å; Y93-H97 AromaticContact CE2-NE2 3.97Å; Y93-H97 AromaticContact CG-ND1 3.83Å; Y93-H97 AromaticContact CZ-CE1 3.61Å; Y93-H97 AromaticContact CZ-ND1 3.72Å; Y93-H97 PolarHBondContact O-N 2.98Å; Y93-H97 PolarHBondContact O-ND1 3.33Å; Y93-S120 PolarHBondContact OH-O 3.41Å; Y93-G123 WeakPolarHBondContact OH-CA 3.27Å; Y93-A124 HydrophobicContact CD1-CB 4.14Å; Y93-A124 HydrophobicContact CE1-CB 3.82Å; Y93-I127 HydrophobicContact CD1-CD1 4.13Å; Y93-I127 HydrophobicContact CD2-CD1 3.84Å; Y93-I127 HydrophobicContact CG-CD1 3.55Å
94	I	86.7	Confident	84	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-55.7	-46.1	-179.8	-66.6	-61	0	0	0	111.1	Y90 K92 H97 G99 C101 F114 V116 A124	Y90-I94 HydrophobicContact CD1-CG1 4.45Å; Y90-I94 HydrophobicContact CD2-CG1 4.33Å; Y90-I94 HydrophobicContact CE1-CG1 4.06Å; Y90-I94 HydrophobicContact CE2-CD1 4Å; Y90-I94 HydrophobicContact CE2-CG1 3.92Å; Y90-I94 WeakPolarHBondContact O-CG1 3.43Å; Y90-I94 PolarHBondContact O-N 3.42Å; K92-I94 PolarHBondContact O-N 3.35Å; I94-H97 CarbonylContact O-C 3.49Å; I94-H97 PolarHBondContact O-N 3.45Å; I94-G99 WeakPolarHBondContact O-CA 3.24Å; I94-G99 PolarHBondContact O-N 2.95Å; I94-C101 HydrophobicContact CG1-CB 4.46Å; I94-C101 HydrophobicContact CG2-CB 4.29Å; I94-F114 HydrophobicContact CD1-CB 4.05Å; I94-F114 HydrophobicContact CD1-CD2 3.62Å; I94-F114 HydrophobicContact CD1-CE2 4.23Å; I94-F114 HydrophobicContact CD1-CG 3.9Å; I94-V116 HydrophobicContact CD1-CG1 3.44Å; I94-V116 VanDerWaalsContact CD1-CG1 3.44Å; I94-V116 HydrophobicContact CG2-CG1 4.38Å; I94-A124 HydrophobicContact CD1-CB 3.97Å
95	T	76.8	Confident	83.8	Confident	10 Å²	10	37.5 Å²	37.5	6%	0.061	20%	0.198	C	C	.	.	H	α-helix	trans	-73.3	-42.1	-175.8	-58.2	0	0	0	0	113.5	L91 K92 Y93 H97 G98 Y193 R774	L91-T95 PolarHBondContact O-N 2.99Å; L91-T95 PolarHBondContact O-OG1 3.08Å; K92-T95 PolarHBondContact O-N 3.09Å; Y93-T95 VanDerWaalsContact C-N 3.29Å; Y93-T95 PolarHBondContact O-N 3.22Å; T95-H97 PolarHBondContact O-N 3.32Å; T95-G98 PolarHBondContact O-N 3.45Å; T95-G98 VanDerWaalsContact O-N 3.1Å; T95-Y193 VanDerWaalsContact CB-CE2 3.47Å; T95-Y193 VanDerWaalsContact CB-CZ 3.45Å; T95-Y193 WeakPolarHBondContact CB-OH 3.41Å; T95-Y193 HydrophobicContact CG2-CE2 3.42Å; T95-Y193 VanDerWaalsContact CG2-CE2 3.42Å; T95-Y193 WeakPolarHBondContact CG2-OH 3.5Å; T95-Y193 WeakPolarHBondContact OG1-CE2 3.4Å; T95-Y193 PolarHBondContact OG1-OH 3.32Å; T95-Y193 VanDerWaalsContact OG1-OH 3.09Å; T95-R774 PolarHBondContact O-NH2 3.44Å
96	D	83.2	Confident	83.7	Confident	27 Å²	27	35 Å²	35	14%	0.144	18%	0.182	C	C	.	.	H	α-helix	trans	-60.6	-25.5	178.2	-69.5	-7.2	0	0	0	110.4	K92 Y93 V842	K92-D96 WeakPolarHBondContact CE-OD2 3.35Å; K92-D96 WeakPolarHBondContact CG-OD2 3.37Å; K92-D96 IonicContact NZ-OD1 3.08Å; K92-D96 PolarHBondContact NZ-OD1 3.1Å; K92-D96 IonicContact NZ-OD2 3.48Å; K92-D96 PolarHBondContact NZ-OD2 2.67Å; K92-D96 WeakPolarHBondContact O-CB 3.37Å; K92-D96 PolarHBondContact O-N 3.45Å; Y93-D96 PolarHBondContact O-N 3.38Å; D96-V842 HydrophobicContact CB-CG1 4.19Å; D96-V842 VanDerWaalsContact O-CG1 3.29Å; D96-V842 WeakPolarHBondContact O-CG1 3.08Å
97	H	86.1	Confident	83.9	Confident	53 Å²	53	31 Å²	31	25%	0.245	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	30.6	178.5	-57.1	88.1	0	0	0	113.3	Y93 I94 T95 G99 A117 S120	Y93-H97 AromaticContact CD1-ND1 3.8Å; Y93-H97 AromaticContact CD2-CE1 3.57Å; Y93-H97 AromaticContact CD2-ND1 3.83Å; Y93-H97 AromaticContact CE1-ND1 3.74Å; Y93-H97 AromaticContact CE2-CE1 3.33Å; Y93-H97 WeakPolarHBondContact CE2-CE1 3.34Å; Y93-H97 AromaticContact CE2-ND1 3.78Å; Y93-H97 AromaticContact CE2-NE2 3.97Å; Y93-H97 AromaticContact CG-ND1 3.83Å; Y93-H97 AromaticContact CZ-CE1 3.61Å; Y93-H97 AromaticContact CZ-ND1 3.72Å; Y93-H97 PolarHBondContact O-N 2.98Å; Y93-H97 PolarHBondContact O-ND1 3.33Å; I94-H97 CarbonylContact O-C 3.49Å; I94-H97 PolarHBondContact O-N 3.45Å; T95-H97 PolarHBondContact O-N 3.32Å; H97-G99 PolarHBondContact O-N 3.05Å; H97-A117 WeakPolarHBondContact O-CB 3.49Å; H97-A117 PolarHBondContact O-N 3.08Å; H97-S120 WeakPolarHBondContact CB-OG 3.4Å; H97-S120 PolarHBondContact CD2-OG 2.82Å
98	G	74.4	Confident	84.3	Confident	7 Å²	7	30.7 Å²	30.7	7%	0.072	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	16.5	170.7	0	0	0	0	0	115.5	K48 T95 S846	K48-G98 VanDerWaalsContact CE-O 3.26Å; K48-G98 WeakPolarHBondContact CE-O 3.43Å; K48-G98 PolarHBondContact NZ-O 2.97Å; T95-G98 PolarHBondContact O-N 3.45Å; T95-G98 VanDerWaalsContact O-N 3.1Å; G98-S846 VanDerWaalsContact CA-OG 3.25Å; G98-S846 WeakPolarHBondContact CA-OG 3.45Å; G98-S846 PolarHBondContact N-OG 3.43Å
99	G	79.8	Confident	85	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.01	16%	0.158	C	C	.	.			trans	-98.1	172.8	-174.3	0	0	0	0	0	115.5	I94 H97 D115	I94-G99 WeakPolarHBondContact O-CA 3.24Å; I94-G99 PolarHBondContact O-N 2.95Å; H97-G99 PolarHBondContact O-N 3.05Å; G99-D115 CarbonylContact C-O 3.56Å; G99-D115 WeakPolarHBondContact CA-O 2.94Å; G99-D115 VanDerWaalsContact CA-OD1 3.28Å; G99-D115 WeakPolarHBondContact CA-OD1 3.38Å
100	H	79.7	Confident	85.4	Confident	49 Å²	49	29.1 Å²	29.1	23%	0.227	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	151.9	169.2	-54	96.9	0	0	0	110.5	F114 D115	H100-F114 CarbonylContact O-C 3.47Å; H100-F114 WeakPolarHBondContact O-CA 3.13Å; H100-F114 WeakPolarHBondContact O-CB 3.12Å; H100-D115 PolarHBondContact N-O 2.92Å; H100-D115 VanDerWaalsContact N-O 3.11Å; H100-D115 PolarHBondContact N-OD1 3.23Å; H100-D115 IonicContact ND1-OD1 2.66Å; H100-D115 IonicContact ND1-OD2 2.64Å; H100-D115 PolarHBondContact O-N 3.2Å
101	C	84.9	Confident	85.7	Confident	19 Å²	19	29.1 Å²	29.1	13%	0.128	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	153	175.6	64.2	0	0	0	0	111.5	Y90 I94 V113 F114	Y90-C101 HydrophobicContact CE1-CB 3.73Å; I94-C101 HydrophobicContact CG1-CB 4.46Å; I94-C101 HydrophobicContact CG2-CB 4.29Å; C101-V113 CarbonylContact C-O 3.56Å; C101-V113 VanDerWaalsContact CA-O 3.25Å; C101-V113 WeakPolarHBondContact CA-O 3.31Å; C101-F114 HydrophobicContact CB-CB 3.79Å
102	N	83.9	Confident	86.3	Confident	55 Å²	55	28.9 Å²	28.9	29%	0.294	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	168.1	173.1	-160.6	10.8	0	0	0	111	V113 C190	N102-V113 HydrophobicContact CB-CG2 4.01Å; N102-V113 PolarHBondContact N-O 3.25Å; N102-V113 WeakPolarHBondContact O-CG2 3.45Å; N102-V113 PolarHBondContact O-N 2.89Å; N102-V113 VanDerWaalsContact O-O 3.13Å; N102-C190 HydrophobicContact CB-CB 4.14Å; N102-C190 WeakPolarHBondContact ND2-CB 3.18Å; N102-C190 PolarHBondContact ND2-SG 3.07Å; N102-C190 VanDerWaalsContact ND2-SG 3.42Å
103	A	87.7	Confident	86.8	Confident	8 Å²	8	26.6 Å²	26.6	7%	0.066	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	164.9	167.9	0	0	0	0	0	110.9	E74 F78 S111 Y112	E74-A103 VanDerWaalsContact CD-CB 3.49Å; E74-A103 HydrophobicContact CG-CB 3.49Å; E74-A103 VanDerWaalsContact CG-CB 3.49Å; E74-A103 WeakPolarHBondContact OE1-CB 3.39Å; F78-A103 HydrophobicContact CE2-CB 3.88Å; F78-A103 HydrophobicContact CZ-CB 3.85Å; A103-S111 CarbonylContact C-O 3.39Å; A103-S111 WeakPolarHBondContact CA-O 3.34Å; A103-S111 WeakPolarHBondContact CB-O 3.47Å; A103-Y112 HydrophobicContact CB-CD1 3.63Å; A103-Y112 HydrophobicContact CB-CE1 4.08Å; A103-Y112 HydrophobicContact CB-CG 4.22Å
104	F	87.1	Confident	87	Confident	105 Å²	105	24.4 Å²	24.4	46%	0.461	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	143.6	172.9	56.1	-89.7	0	0	0	111.9	E74 T110 S111	E74-F104 WeakPolarHBondContact OE2-CA 3.35Å; E74-F104 PolarHBondContact OE2-N 3.04Å; F104-T110 WeakPolarHBondContact O-CA 3.43Å; F104-S111 VanDerWaalsContact CZ-CB 3.48Å; F104-S111 PolarHBondContact N-O 3.14Å; F104-S111 PolarHBondContact O-N 3.33Å
105	T	90	Very high	87.3	Confident	25 Å²	25	26.2 Å²	26.2	15%	0.153	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	120.2	176.9	-60	0	0	0	0	110.2	A70 H71 E74 T110	A70-T105 HydrophobicContact CB-CG2 3.9Å; H71-T105 WeakPolarHBondContact CA-OG1 3.34Å; H71-T105 HydrophobicContact CB-CG2 4.31Å; E74-T105 WeakPolarHBondContact OE2-CB 3.38Å; E74-T105 PolarHBondContact OE2-N 2.96Å; E74-T105 PolarHBondContact OE2-OG1 2.97Å; T105-T110 WeakPolarHBondContact OG1-CG2 3.47Å
106	S	88.7	Confident	88	Confident	23 Å²	23	25.7 Å²	25.7	16%	0.161	14%	0.137	C	C	.	.			trans	-97.3	-176.9	171.1	78.1	0	0	0	0	110.3	G58 S59 D108 K109	G58-S106 WeakPolarHBondContact CA-O 3.37Å; S59-S106 PolarHBondContact N-O 2.99Å; S59-S106 PolarHBondContact OG-O 2.85Å; S106-D108 VanDerWaalsContact C-N 3.27Å; S106-D108 PolarHBondContact O-N 2.88Å; S106-D108 PolarHBondContact OG-N 3.08Å; S106-D108 PolarHBondContact OG-OD1 3.34Å; S106-K109 PolarHBondContact N-O 2.85Å; S106-K109 WeakPolarHBondContact OG-CG 3.35Å; S106-K109 PolarHBondContact OG-N 3.06Å; S106-K109 PolarHBondContact OG-O 3.49Å; S106-K109 VanDerWaalsContact OG-O 3.08Å
107	P	88.7	Confident	88.3	Confident	18 Å²	18	25 Å²	25	12%	0.117	14%	0.136	C	C	.	.	S	Bend	trans	-56.2	-39.2	170.8	-22.9	32.3	0	0	0	113.6	G58 S59 L60 Q382	G58-P107 CarbonylContact C-O 3.18Å; G58-P107 WeakPolarHBondContact CA-O 3.49Å; S59-P107 PolarHBondContact N-O 2.93Å; S59-P107 WeakPolarHBondContact OG-CA 3.33Å; L60-P107 VanDerWaalsContact CB-O 3.29Å; L60-P107 WeakPolarHBondContact CB-O 3.36Å; L60-P107 HydrophobicContact CD1-CB 3.65Å; L60-P107 HydrophobicContact CD2-CB 4.39Å; L60-P107 HydrophobicContact CG-CB 3.65Å; L60-P107 WeakPolarHBondContact CG-O 3.49Å; L60-P107 PolarHBondContact N-O 2.86Å; P107-Q382 HydrophobicContact CG-CB 4.37Å
108	D	88.1	Confident	88.6	Confident	22 Å²	22	22.8 Å²	22.8	12%	0.118	13%	0.126	C	C	.	.	S	Bend	trans	-115.4	-15.1	-166.6	61.4	-28.3	0	0	0	115.1	N56 I57 G58 S106 Q382 E383	N56-D108 CarbonylContact C-O 3.52Å; I57-D108 CarbonylContact C-O 3.55Å; I57-D108 VanDerWaalsContact CA-O 3.29Å; I57-D108 WeakPolarHBondContact CA-O 3.46Å; I57-D108 PolarHBondContact N-O 3.37Å; G58-D108 PolarHBondContact N-O 3.35Å; S106-D108 VanDerWaalsContact C-N 3.27Å; S106-D108 PolarHBondContact O-N 2.88Å; S106-D108 PolarHBondContact OG-N 3.08Å; S106-D108 PolarHBondContact OG-OD1 3.34Å; D108-Q382 VanDerWaalsContact CG-O 3.31Å; D108-E383 HydrophobicContact CB-CB 4.12Å; D108-E383 HydrophobicContact CB-CG 4.18Å; D108-E383 VanDerWaalsContact CB-OE2 3.29Å; D108-E383 WeakPolarHBondContact CB-OE2 3.21Å
109	K	90.8	Very high	89.5	Confident	30 Å²	30	29.2 Å²	29.2	13%	0.13	15%	0.154	C	C	.	.			trans	-146.6	158.4	-177.9	55.5	-179	156.2	-169.2	0	113.3	D5 V55 I57 S106	D5-K109 VanDerWaalsContact CG-NZ 3.29Å; D5-K109 IonicContact OD1-NZ 3.17Å; D5-K109 PolarHBondContact OD1-NZ 2.85Å; D5-K109 IonicContact OD2-NZ 3.51Å; D5-K109 PolarHBondContact OD2-NZ 2.76Å; V55-K109 CarbonylContact O-C 3.57Å; V55-K109 WeakPolarHBondContact O-CA 3.35Å; V55-K109 WeakPolarHBondContact O-CB 3.3Å; I57-K109 CarbonylContact O-C 3.46Å; I57-K109 WeakPolarHBondContact O-CA 3.45Å; S106-K109 PolarHBondContact N-O 2.85Å; S106-K109 WeakPolarHBondContact OG-CG 3.35Å; S106-K109 PolarHBondContact OG-N 3.06Å; S106-K109 PolarHBondContact OG-O 3.49Å; S106-K109 VanDerWaalsContact OG-O 3.08Å
110	T	94.5	Very high	90.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	121	171.1	-51.6	0	0	0	0	107.7	S54 V55 I57 E74 F104 T105 Y112	S54-T110 WeakPolarHBondContact CA-O 3.49Å; V55-T110 PolarHBondContact N-O 3.41Å; V55-T110 PolarHBondContact O-N 2.85Å; I57-T110 PolarHBondContact O-N 3.2Å; I57-T110 PolarHBondContact O-OG1 3.13Å; E74-T110 HydrophobicContact CB-CG2 3.98Å; E74-T110 HydrophobicContact CG-CG2 3.88Å; F104-T110 WeakPolarHBondContact O-CA 3.43Å; T105-T110 WeakPolarHBondContact OG1-CG2 3.47Å; T110-Y112 HydrophobicContact CG2-CE2 3.74Å
111	S	94.1	Very high	90.9	Very high	5 Å²	5	27.5 Å²	27.5	4%	0.035	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	134.4	-174.9	-58	0	0	0	0	111.2	S54 A103 F104	S54-S111 PolarHBondContact OG-OG 2.65Å; A103-S111 CarbonylContact C-O 3.39Å; A103-S111 WeakPolarHBondContact CA-O 3.34Å; A103-S111 WeakPolarHBondContact CB-O 3.47Å; F104-S111 VanDerWaalsContact CZ-CB 3.48Å; F104-S111 PolarHBondContact N-O 3.14Å; F104-S111 PolarHBondContact O-N 3.33Å
112	Y	94.8	Very high	91.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	131.7	178.1	-55.5	-96.9	0	0	0	109.2	C52 L53 V55 E74 L77 F78 A103 T110 F132 Y265	C52-Y112 CarbonylContact C-O 3.53Å; C52-Y112 WeakPolarHBondContact CA-O 3.39Å; L53-Y112 PolarHBondContact N-O 3.29Å; L53-Y112 PolarHBondContact O-N 2.84Å; V55-Y112 HydrophobicContact CG2-CE2 4.49Å; E74-Y112 WeakPolarHBondContact CA-OH 3.44Å; E74-Y112 HydrophobicContact CB-CE1 4.49Å; E74-Y112 HydrophobicContact CG-CE1 3.82Å; L77-Y112 HydrophobicContact CB-CE1 4.37Å; L77-Y112 HydrophobicContact CD1-CE1 3.9Å; L77-Y112 HydrophobicContact CD1-CE2 4.3Å; L77-Y112 WeakPolarHBondContact CD1-OH 3.43Å; F78-Y112 AromaticContact CE2-CD1 3.91Å; F78-Y112 HydrophobicContact CE2-CD1 3.91Å; F78-Y112 HydrophobicContact CE2-CE1 4.02Å; F78-Y112 HydrophobicContact CZ-CD1 4.07Å; A103-Y112 HydrophobicContact CB-CD1 3.63Å; A103-Y112 HydrophobicContact CB-CE1 4.08Å; A103-Y112 HydrophobicContact CB-CG 4.22Å; T110-Y112 HydrophobicContact CG2-CE2 3.74Å; Y112-F132 AromaticContact CD2-CE1 3.88Å; Y112-F132 HydrophobicContact CD2-CE1 3.88Å; Y112-F132 AromaticContact CD2-CZ 3.77Å; Y112-F132 HydrophobicContact CD2-CZ 3.77Å; Y112-F132 AromaticContact CE2-CE1 3.88Å; Y112-F132 HydrophobicContact CE2-CE1 3.88Å; Y112-F132 HydrophobicContact CE2-CZ 4.21Å; Y112-F132 HydrophobicContact CG-CZ 4.1Å; Y112-Y265 HydrophobicContact CE2-CE1 4.25Å; Y112-Y265 PolarHBondContact OH-OH 2.9Å
113	V	94	Very high	92	Very high	48 Å²	48	32 Å²	32	29%	0.291	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	145.1	-175.3	-60.9	0	0	0	0	112	V51 C52 C101 N102	V51-V113 VanDerWaalsContact O-CA 3.32Å; V51-V113 WeakPolarHBondContact O-CA 3.41Å; C52-V113 HydrophobicContact CB-CG1 3.87Å; C101-V113 CarbonylContact C-O 3.56Å; C101-V113 VanDerWaalsContact CA-O 3.25Å; C101-V113 WeakPolarHBondContact CA-O 3.31Å; N102-V113 HydrophobicContact CB-CG2 4.01Å; N102-V113 PolarHBondContact N-O 3.25Å; N102-V113 WeakPolarHBondContact O-CG2 3.45Å; N102-V113 PolarHBondContact O-N 2.89Å; N102-V113 VanDerWaalsContact O-O 3.13Å
114	F	93.4	Very high	92.4	Very high	8 Å²	8	31.7 Å²	31.7	4%	0.035	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	159.8	166.2	72	-93.5	0	0	0	113.4	A50 V51 Y90 I94 H100 C101 V116 L121 A124 L125 F128	A50-F114 CarbonylContact C-O 3.55Å; A50-F114 VanDerWaalsContact CA-O 3.26Å; A50-F114 WeakPolarHBondContact CA-O 3.09Å; V51-F114 HydrophobicContact CB-CD1 3.96Å; V51-F114 HydrophobicContact CB-CE1 3.44Å; V51-F114 VanDerWaalsContact CB-CE1 3.44Å; V51-F114 HydrophobicContact CB-CE2 4.2Å; V51-F114 HydrophobicContact CB-CZ 3.58Å; V51-F114 HydrophobicContact CG1-CE1 3.85Å; V51-F114 HydrophobicContact CG1-CZ 4.28Å; V51-F114 HydrophobicContact CG2-CE1 3.87Å; V51-F114 HydrophobicContact CG2-CE2 3.97Å; V51-F114 HydrophobicContact CG2-CZ 3.45Å; V51-F114 VanDerWaalsContact CG2-CZ 3.45Å; V51-F114 PolarHBondContact N-O 3.27Å; V51-F114 PolarHBondContact O-N 2.97Å; Y90-F114 VanDerWaalsContact OH-CB 3.27Å; Y90-F114 WeakPolarHBondContact OH-CB 3.29Å; Y90-F114 WeakPolarHBondContact OH-CD1 3.2Å; Y90-F114 WeakPolarHBondContact OH-CG 3.46Å; I94-F114 HydrophobicContact CD1-CB 4.05Å; I94-F114 HydrophobicContact CD1-CD2 3.62Å; I94-F114 HydrophobicContact CD1-CE2 4.23Å; I94-F114 HydrophobicContact CD1-CG 3.9Å; H100-F114 CarbonylContact O-C 3.47Å; H100-F114 WeakPolarHBondContact O-CA 3.13Å; H100-F114 WeakPolarHBondContact O-CB 3.12Å; C101-F114 HydrophobicContact CB-CB 3.79Å; F114-V116 HydrophobicContact CD2-CG1 4.19Å; F114-V116 HydrophobicContact CD2-CG2 4.38Å; F114-V116 HydrophobicContact CE2-CG1 4.46Å; F114-V116 HydrophobicContact CE2-CG2 4.06Å; F114-L121 HydrophobicContact CE2-CD1 4.4Å; F114-A124 HydrophobicContact CD2-CB 4.28Å; F114-A124 HydrophobicContact CE2-CB 3.48Å; F114-A124 VanDerWaalsContact CE2-CB 3.48Å; F114-A124 HydrophobicContact CZ-CB 3.8Å; F114-L125 HydrophobicContact CE1-CD2 4.43Å; F114-L125 HydrophobicContact CZ-CD2 4.09Å; F114-L125 HydrophobicContact CZ-CG 4.27Å; F114-F128 HydrophobicContact CD1-CD1 4.4Å; F114-F128 AromaticContact CD1-CD2 3.93Å; F114-F128 HydrophobicContact CD1-CD2 3.93Å; F114-F128 HydrophobicContact CD1-CE2 4.17Å; F114-F128 HydrophobicContact CD1-CG 4.04Å; F114-F128 HydrophobicContact CD1-CZ 4.49Å; F114-F128 HydrophobicContact CE1-CB 3.79Å; F114-F128 AromaticContact CE1-CD1 3.69Å; F114-F128 HydrophobicContact CE1-CD1 3.69Å; F114-F128 AromaticContact CE1-CD2 3.92Å; F114-F128 HydrophobicContact CE1-CD2 3.92Å; F114-F128 HydrophobicContact CE1-CE1 4.18Å; F114-F128 HydrophobicContact CE1-CE2 4.39Å; F114-F128 AromaticContact CE1-CG 3.53Å; F114-F128 HydrophobicContact CE1-CG 3.53Å; F114-F128 HydrophobicContact CE1-CZ 4.5Å; F114-F128 HydrophobicContact CZ-CB 4.47Å
115	D	92.1	Very high	92.9	Very high	37 Å²	37	26.7 Å²	26.7	20%	0.198	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	154.9	163.3	70.3	49.7	0	0	0	110.8	K48 S49 A50 G99 H100	K48-D115 HydrophobicContact CD-CB 4.32Å; K48-D115 IonicContact NZ-OD1 3.61Å; K48-D115 PolarHBondContact NZ-OD1 3.06Å; K48-D115 IonicContact NZ-OD2 2.79Å; S49-D115 CarbonylContact O-C 3.6Å; S49-D115 WeakPolarHBondContact O-CA 3.36Å; A50-D115 HydrophobicContact CB-CB 4.25Å; G99-D115 CarbonylContact C-O 3.56Å; G99-D115 WeakPolarHBondContact CA-O 2.94Å; G99-D115 VanDerWaalsContact CA-OD1 3.28Å; G99-D115 WeakPolarHBondContact CA-OD1 3.38Å; H100-D115 PolarHBondContact N-O 2.92Å; H100-D115 VanDerWaalsContact N-O 3.11Å; H100-D115 PolarHBondContact N-OD1 3.23Å; H100-D115 IonicContact ND1-OD1 2.66Å; H100-D115 IonicContact ND1-OD2 2.64Å; H100-D115 PolarHBondContact O-N 3.2Å
116	V	91.6	Very high	93.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	165.9	175.6	-74	0	0	0	0	110.6	K48 S49 I94 F114 A124	K48-V116 CarbonylContact C-O 3.21Å; K48-V116 WeakPolarHBondContact CA-O 3.46Å; S49-V116 PolarHBondContact N-O 3.26Å; S49-V116 PolarHBondContact O-N 3.42Å; I94-V116 HydrophobicContact CD1-CG1 3.44Å; I94-V116 VanDerWaalsContact CD1-CG1 3.44Å; I94-V116 HydrophobicContact CG2-CG1 4.38Å; F114-V116 HydrophobicContact CD2-CG1 4.19Å; F114-V116 HydrophobicContact CD2-CG2 4.38Å; F114-V116 HydrophobicContact CE2-CG1 4.46Å; F114-V116 HydrophobicContact CE2-CG2 4.06Å; V116-A124 HydrophobicContact CG1-CB 4.06Å; V116-A124 HydrophobicContact CG2-CB 4.07Å
117	A	90.3	Very high	93.5	Very high	13 Å²	13	27.2 Å²	27.2	11%	0.107	14%	0.138	C	C	.	.			trans	-52.6	139.1	164.4	0	0	0	0	0	110.5	H97 E119 S120 T849	H97-A117 WeakPolarHBondContact O-CB 3.49Å; H97-A117 PolarHBondContact O-N 3.08Å; A117-E119 PolarHBondContact O-N 3.41Å; A117-E119 VanDerWaalsContact O-N 3.1Å; A117-S120 WeakPolarHBondContact O-CB 3.29Å; A117-S120 PolarHBondContact O-N 3.28Å; A117-T849 HydrophobicContact CB-CG2 4.4Å
118	P	92.4	Very high	93.9	Very high	5 Å²	5	26.4 Å²	26.4	3%	0.032	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-56.3	-36.3	-171.3	-28.4	36.6	0	0	0	113.7	T46 D47 S49 S120 L121 R277	T46-P118 HydrophobicContact CG2-CG 4.47Å; D47-P118 VanDerWaalsContact O-CD 3.24Å; D47-P118 WeakPolarHBondContact O-CD 3.48Å; S49-P118 WeakPolarHBondContact OG-CA 3.5Å; P118-S120 PolarHBondContact O-N 2.63Å; P118-S120 VanDerWaalsContact O-N 3.11Å; P118-L121 WeakPolarHBondContact O-CB 3.24Å; P118-L121 PolarHBondContact O-N 2.7Å; P118-L121 VanDerWaalsContact O-N 3.11Å; P118-R277 HydrophobicContact CB-CB 4.43Å; P118-R277 HydrophobicContact CB-CG 3.85Å; P118-R277 HydrophobicContact CG-CG 4.16Å
119	E	92	Very high	94.3	Very high	142 Å²	142	25.4 Å²	25.4	66%	0.664	13%	0.127	S	C	*	.	G	3₁₀ helix	trans	-71.6	-13.4	-175.4	-77.4	42.5	121.7	0	0	111.9	A117 R277	A117-E119 PolarHBondContact O-N 3.41Å; A117-E119 VanDerWaalsContact O-N 3.1Å; E119-R277 IonicContact OE1-NH1 2.68Å; E119-R277 PolarHBondContact OE1-NH1 3.42Å
120	S	94	Very high	94.6	Very high	15 Å²	15	25.3 Å²	25.3	11%	0.105	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-104.3	0.9	-179.8	-50.1	0	0	0	0	113.2	Y93 H97 A117 P118 R122 G123 A124	Y93-S120 PolarHBondContact OH-O 3.41Å; H97-S120 WeakPolarHBondContact CB-OG 3.4Å; H97-S120 PolarHBondContact CD2-OG 2.82Å; A117-S120 WeakPolarHBondContact O-CB 3.29Å; A117-S120 PolarHBondContact O-N 3.28Å; P118-S120 PolarHBondContact O-N 2.63Å; P118-S120 VanDerWaalsContact O-N 3.11Å; S120-R122 VanDerWaalsContact C-N 3.3Å; S120-R122 PolarHBondContact O-N 3.31Å; S120-G123 PolarHBondContact O-N 3.04Å; S120-A124 PolarHBondContact O-N 3.38Å
121	L	96.2	Very high	94.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-55.6	-45.3	-178.6	176.3	58.9	0	0	0	112	V51 F114 P118 A124 L125 I274 L283 L286	V51-L121 HydrophobicContact CG2-CD1 3.77Å; F114-L121 HydrophobicContact CE2-CD1 4.4Å; P118-L121 WeakPolarHBondContact O-CB 3.24Å; P118-L121 PolarHBondContact O-N 2.7Å; P118-L121 VanDerWaalsContact O-N 3.11Å; L121-A124 PolarHBondContact O-N 2.94Å; L121-L125 HydrophobicContact CD1-CD1 3.91Å; L121-L125 HydrophobicContact CD1-CG 4.09Å; L121-L125 HydrophobicContact CG-CD1 4.03Å; L121-L125 WeakPolarHBondContact O-CB 3.22Å; L121-L125 WeakPolarHBondContact O-CG 3.22Å; L121-L125 PolarHBondContact O-N 3.27Å; L121-I274 HydrophobicContact CD2-CG2 4.18Å; L121-L283 HydrophobicContact CD2-CD2 4.2Å; L121-L286 HydrophobicContact CD2-CD2 4.18Å; L121-L286 HydrophobicContact CG-CD2 4.28Å
122	R	96.1	Very high	94.7	Very high	153 Å²	153	25.2 Å²	25.2	58%	0.577	13%	0.126	S	C	*	.	H	α-helix	trans	-60.8	-48.1	-178	-177	172.7	-176.4	149.1	5.3	112.4	S120 L125 D126 L286	S120-R122 VanDerWaalsContact C-N 3.3Å; S120-R122 PolarHBondContact O-N 3.31Å; R122-L125 PolarHBondContact O-N 3.06Å; R122-D126 PolarHBondContact O-N 3.35Å; R122-L286 HydrophobicContact CB-CD1 4.48Å; R122-L286 HydrophobicContact CG-CD1 4.07Å
123	G	95.5	Very high	94.7	Very high	16 Å²	16	26.7 Å²	26.7	17%	0.165	14%	0.135	C	C	.	.	H	α-helix	trans	-69.2	-33.6	179.3	0	0	0	0	0	112.6	Y93 S120 L125 D126 I127	Y93-G123 WeakPolarHBondContact OH-CA 3.27Å; S120-G123 PolarHBondContact O-N 3.04Å; G123-L125 VanDerWaalsContact C-N 3.34Å; G123-L125 PolarHBondContact O-N 3.18Å; G123-D126 WeakPolarHBondContact O-CB 3.16Å; G123-D126 PolarHBondContact O-N 2.98Å; G123-I127 PolarHBondContact O-N 3.1Å
124	A	96.1	Very high	94.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63.2	-41.6	172.7	0	0	0	0	0	111.5	Y93 I94 F114 V116 S120 L121 I127 F128	Y93-A124 HydrophobicContact CD1-CB 4.14Å; Y93-A124 HydrophobicContact CE1-CB 3.82Å; I94-A124 HydrophobicContact CD1-CB 3.97Å; F114-A124 HydrophobicContact CD2-CB 4.28Å; F114-A124 HydrophobicContact CE2-CB 3.48Å; F114-A124 VanDerWaalsContact CE2-CB 3.48Å; F114-A124 HydrophobicContact CZ-CB 3.8Å; V116-A124 HydrophobicContact CG1-CB 4.06Å; V116-A124 HydrophobicContact CG2-CB 4.07Å; S120-A124 PolarHBondContact O-N 3.38Å; L121-A124 PolarHBondContact O-N 2.94Å; A124-I127 PolarHBondContact O-N 3.36Å; A124-F128 WeakPolarHBondContact O-CB 3.3Å; A124-F128 PolarHBondContact O-N 3.13Å
125	L	97.1	Very high	94.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-69	-33.6	175.9	-78	174.4	0	0	0	113.4	V51 F114 L121 R122 G123 I127 F128 S129 I274 L286 K290 F291	V51-L125 HydrophobicContact CG1-CD2 4.05Å; V51-L125 HydrophobicContact CG2-CD2 3.86Å; V51-L125 HydrophobicContact CG2-CG 4.34Å; F114-L125 HydrophobicContact CE1-CD2 4.43Å; F114-L125 HydrophobicContact CZ-CD2 4.09Å; F114-L125 HydrophobicContact CZ-CG 4.27Å; L121-L125 HydrophobicContact CD1-CD1 3.91Å; L121-L125 HydrophobicContact CD1-CG 4.09Å; L121-L125 HydrophobicContact CG-CD1 4.03Å; L121-L125 WeakPolarHBondContact O-CB 3.22Å; L121-L125 WeakPolarHBondContact O-CG 3.22Å; L121-L125 PolarHBondContact O-N 3.27Å; R122-L125 PolarHBondContact O-N 3.06Å; G123-L125 VanDerWaalsContact C-N 3.34Å; G123-L125 PolarHBondContact O-N 3.18Å; L125-I127 VanDerWaalsContact C-N 3.27Å; L125-I127 PolarHBondContact O-N 2.76Å; L125-F128 HydrophobicContact CD2-CD1 4.33Å; L125-F128 PolarHBondContact O-N 3.42Å; L125-S129 VanDerWaalsContact O-CB 3.25Å; L125-S129 WeakPolarHBondContact O-CB 3.47Å; L125-S129 PolarHBondContact O-N 2.85Å; L125-S129 PolarHBondContact O-OG 2.92Å; L125-I274 HydrophobicContact CD1-CD1 4.24Å; L125-L286 HydrophobicContact CD1-CD1 4.37Å; L125-L286 HydrophobicContact CD1-CD2 3.44Å; L125-L286 VanDerWaalsContact CD1-CD2 3.44Å; L125-L286 HydrophobicContact CD1-CG 3.66Å; L125-K290 HydrophobicContact CB-CG 4.17Å; L125-F291 HydrophobicContact CD2-CE2 3.76Å; L125-F291 HydrophobicContact CD2-CZ 3.8Å
126	D	95.8	Very high	94.6	Very high	53 Å²	53	27.8 Å²	27.8	28%	0.283	14%	0.144	S	C	.	.	H	α-helix	trans	-56.2	-43.8	172.8	-75.3	-33.6	0	0	0	110.9	F84 R122 G123 S129 Q130 K290	F84-D126 WeakPolarHBondContact CE2-O 2.88Å; F84-D126 HydrophobicContact CZ-CB 4.42Å; R122-D126 PolarHBondContact O-N 3.35Å; G123-D126 WeakPolarHBondContact O-CB 3.16Å; G123-D126 PolarHBondContact O-N 2.98Å; D126-S129 PolarHBondContact O-OG 3.28Å; D126-Q130 VanDerWaalsContact O-CG 3.31Å; D126-Q130 WeakPolarHBondContact O-CG 3.18Å; D126-K290 VanDerWaalsContact OD1-CD 3.32Å; D126-K290 WeakPolarHBondContact OD1-CD 3.42Å; D126-K290 WeakPolarHBondContact OD1-CE 3.26Å; D126-K290 IonicContact OD1-NZ 2.63Å; D126-K290 PolarHBondContact OD1-NZ 3.32Å
127	I	95.9	Very high	94.5	Very high	7 Å²	7	28 Å²	28	4%	0.036	14%	0.144	C	C	.	.	H	α-helix	trans	-78.1	-47.3	179	-52.9	162.7	0	0	0	111.2	F84 T89 Y90 Y93 G123 A124 L125 S129 Q130	F84-I127 HydrophobicContact CB-CG2 4.41Å; F84-I127 HydrophobicContact CD1-CG1 4.08Å; F84-I127 HydrophobicContact CD2-CB 4.21Å; F84-I127 HydrophobicContact CD2-CG1 4.13Å; F84-I127 HydrophobicContact CD2-CG2 3.99Å; F84-I127 HydrophobicContact CE1-CG1 3.84Å; F84-I127 HydrophobicContact CE2-CB 4.2Å; F84-I127 HydrophobicContact CE2-CG1 3.91Å; F84-I127 HydrophobicContact CE2-CG2 4.48Å; F84-I127 HydrophobicContact CG-CG1 4.21Å; F84-I127 HydrophobicContact CG-CG2 4.12Å; F84-I127 HydrophobicContact CZ-CG1 3.75Å; T89-I127 HydrophobicContact CG2-CD1 4.27Å; Y90-I127 HydrophobicContact CD2-CB 4.18Å; Y90-I127 HydrophobicContact CD2-CG2 3.84Å; Y90-I127 HydrophobicContact CG-CG2 4.27Å; Y93-I127 HydrophobicContact CD1-CD1 4.13Å; Y93-I127 HydrophobicContact CD2-CD1 3.84Å; Y93-I127 HydrophobicContact CG-CD1 3.55Å; G123-I127 PolarHBondContact O-N 3.1Å; A124-I127 PolarHBondContact O-N 3.36Å; L125-I127 VanDerWaalsContact C-N 3.27Å; L125-I127 PolarHBondContact O-N 2.76Å; I127-S129 PolarHBondContact O-N 3.3Å; I127-Q130 WeakPolarHBondContact O-CB 3.36Å; I127-Q130 PolarHBondContact O-N 2.92Å
128	F	96.6	Very high	94.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62	-40.9	-174.9	-178	-111.7	0	0	0	113.2	V51 L53 Y90 F114 A124 L125 Q130 F131 F132 F291	V51-F128 HydrophobicContact CG1-CD1 4.23Å; V51-F128 HydrophobicContact CG1-CE1 3.85Å; L53-F128 HydrophobicContact CB-CE1 3.87Å; L53-F128 HydrophobicContact CB-CZ 3.9Å; Y90-F128 HydrophobicContact CE2-CB 3.92Å; Y90-F128 AromaticContact CE2-CD2 3.9Å; Y90-F128 HydrophobicContact CE2-CD2 3.9Å; Y90-F128 HydrophobicContact CE2-CG 4.38Å; Y90-F128 AromaticContact CZ-CD2 3.99Å; F114-F128 HydrophobicContact CD1-CD1 4.4Å; F114-F128 AromaticContact CD1-CD2 3.93Å; F114-F128 HydrophobicContact CD1-CD2 3.93Å; F114-F128 HydrophobicContact CD1-CE2 4.17Å; F114-F128 HydrophobicContact CD1-CG 4.04Å; F114-F128 HydrophobicContact CD1-CZ 4.49Å; F114-F128 HydrophobicContact CE1-CB 3.79Å; F114-F128 AromaticContact CE1-CD1 3.69Å; F114-F128 HydrophobicContact CE1-CD1 3.69Å; F114-F128 AromaticContact CE1-CD2 3.92Å; F114-F128 HydrophobicContact CE1-CD2 3.92Å; F114-F128 HydrophobicContact CE1-CE1 4.18Å; F114-F128 HydrophobicContact CE1-CE2 4.39Å; F114-F128 AromaticContact CE1-CG 3.53Å; F114-F128 HydrophobicContact CE1-CG 3.53Å; F114-F128 HydrophobicContact CE1-CZ 4.5Å; F114-F128 HydrophobicContact CZ-CB 4.47Å; A124-F128 WeakPolarHBondContact O-CB 3.3Å; A124-F128 PolarHBondContact O-N 3.13Å; L125-F128 HydrophobicContact CD2-CD1 4.33Å; L125-F128 PolarHBondContact O-N 3.42Å; F128-Q130 PolarHBondContact O-N 2.72Å; F128-F131 HydrophobicContact CD2-CD2 4.42Å; F128-F131 VanDerWaalsContact O-CB 3.31Å; F128-F131 WeakPolarHBondContact O-CB 3.27Å; F128-F131 PolarHBondContact O-N 3.38Å; F128-F132 HydrophobicContact CD1-CE2 4.17Å; F128-F132 HydrophobicContact CD2-CE2 4.49Å; F128-F132 AromaticContact CE1-CE2 3.76Å; F128-F132 HydrophobicContact CE1-CE2 3.76Å; F128-F132 HydrophobicContact CE1-CZ 4.43Å; F128-F132 HydrophobicContact CE2-CE2 4.1Å; F128-F132 HydrophobicContact CE2-CZ 4.3Å; F128-F132 AromaticContact CZ-CE2 3.74Å; F128-F132 HydrophobicContact CZ-CE2 3.74Å; F128-F132 AromaticContact CZ-CZ 3.98Å; F128-F132 HydrophobicContact CZ-CZ 3.98Å; F128-F291 HydrophobicContact CD1-CE1 4.29Å; F128-F291 AromaticContact CD1-CZ 3.96Å; F128-F291 HydrophobicContact CD1-CZ 3.96Å; F128-F291 HydrophobicContact CE1-CE1 4.4Å; F128-F291 HydrophobicContact CE1-CZ 4.25Å
129	S	96.6	Very high	93.8	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.014	17%	0.172	C	C	.	.	H	α-helix	trans	-57.2	-33.3	178.7	57.5	0	0	0	0	112.7	L125 D126 I127 F131 F132 K290	L125-S129 VanDerWaalsContact O-CB 3.25Å; L125-S129 WeakPolarHBondContact O-CB 3.47Å; L125-S129 PolarHBondContact O-N 2.85Å; L125-S129 PolarHBondContact O-OG 2.92Å; D126-S129 PolarHBondContact O-OG 3.28Å; I127-S129 PolarHBondContact O-N 3.3Å; S129-F131 PolarHBondContact O-N 2.94Å; S129-F132 PolarHBondContact O-N 3.07Å; S129-K290 VanDerWaalsContact CB-O 3.22Å; S129-K290 WeakPolarHBondContact CB-O 3.49Å
130	Q	96.7	Very high	93.2	Very high	27 Å²	27	29.7 Å²	29.7	13%	0.126	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-68.8	-19.1	-175.9	-57.7	-61.2	-62.2	0	0	113.2	T81 S83 F84 D126 I127 F128 F132 V133 C134	T81-Q130 HydrophobicContact CG2-CB 3.73Å; T81-Q130 WeakPolarHBondContact OG1-CB 3.46Å; S83-Q130 PolarHBondContact OG-OE1 3.15Å; F84-Q130 HydrophobicContact CD2-CG 4.03Å; F84-Q130 HydrophobicContact CE2-CG 3.94Å; D126-Q130 VanDerWaalsContact O-CG 3.31Å; D126-Q130 WeakPolarHBondContact O-CG 3.18Å; I127-Q130 WeakPolarHBondContact O-CB 3.36Å; I127-Q130 PolarHBondContact O-N 2.92Å; F128-Q130 PolarHBondContact O-N 2.72Å; Q130-F132 PolarHBondContact O-N 3.24Å; Q130-V133 PolarHBondContact O-N 3.38Å; Q130-C134 PolarHBondContact O-N 3.26Å; Q130-C134 VanDerWaalsContact O-N 3.08Å
131	F	95.8	Very high	92.4	Very high	2 Å²	2	29 Å²	29	1%	0.009	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-57.7	-32.7	171.7	-74.3	25.4	0	0	0	110.6	L77 F78 T81 Y90 F128 S129 Y261	L77-F131 HydrophobicContact CB-CB 4.28Å; L77-F131 HydrophobicContact CB-CD2 3.7Å; L77-F131 HydrophobicContact CB-CE2 4.23Å; L77-F131 HydrophobicContact CB-CG 4.09Å; L77-F131 HydrophobicContact CD1-CB 4.21Å; L77-F131 VanDerWaalsContact CD2-O 3.29Å; L77-F131 WeakPolarHBondContact CD2-O 3.43Å; L77-F131 WeakPolarHBondContact O-CD1 3.38Å; L77-F131 VanDerWaalsContact O-CE1 3.31Å; L77-F131 WeakPolarHBondContact O-CE1 3.5Å; L77-F131 WeakPolarHBondContact O-CZ 3.47Å; F78-F131 HydrophobicContact CB-CZ 4.5Å; F78-F131 AromaticContact CD1-CE2 3.9Å; F78-F131 HydrophobicContact CD1-CE2 3.9Å; F78-F131 HydrophobicContact CD1-CZ 4.04Å; F78-F131 HydrophobicContact CD2-CE2 4.25Å; F78-F131 HydrophobicContact CE1-CE2 4.08Å; F78-F131 HydrophobicContact CE2-CE2 4.41Å; F78-F131 AromaticContact CG-CE2 3.99Å; F78-F131 HydrophobicContact CG-CE2 3.99Å; F78-F131 HydrophobicContact CG-CZ 4.24Å; F78-F131 HydrophobicContact CZ-CE2 4.33Å; T81-F131 HydrophobicContact CG2-CD1 3.91Å; T81-F131 HydrophobicContact CG2-CE1 4.45Å; Y90-F131 HydrophobicContact CD1-CE2 4.42Å; Y90-F131 AromaticContact CD1-CZ 3.69Å; Y90-F131 HydrophobicContact CD1-CZ 3.69Å; Y90-F131 HydrophobicContact CD2-CE1 4.21Å; Y90-F131 HydrophobicContact CD2-CZ 4.03Å; Y90-F131 HydrophobicContact CE1-CE2 4.48Å; Y90-F131 HydrophobicContact CE1-CZ 4.15Å; Y90-F131 HydrophobicContact CE2-CZ 4.47Å; Y90-F131 HydrophobicContact CG-CE1 4.02Å; Y90-F131 AromaticContact CG-CZ 3.6Å; Y90-F131 HydrophobicContact CG-CZ 3.6Å; F128-F131 HydrophobicContact CD2-CD2 4.42Å; F128-F131 VanDerWaalsContact O-CB 3.31Å; F128-F131 WeakPolarHBondContact O-CB 3.27Å; F128-F131 PolarHBondContact O-N 3.38Å; S129-F131 PolarHBondContact O-N 2.94Å; F131-Y261 PolarHBondContact O-OH 3.05Å
132	F	96.8	Very high	91.5	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.009	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-101.8	-1	-174.9	-48.6	-72.7	0	0	0	113.1	L53 V55 L77 Y112 F128 S129 Q130 Y261 Y265 M270 F291 V294	L53-F132 HydrophobicContact CB-CE2 4.37Å; L53-F132 HydrophobicContact CB-CZ 4.24Å; L53-F132 HydrophobicContact CD1-CD1 4.49Å; L53-F132 HydrophobicContact CD1-CD2 3.77Å; L53-F132 HydrophobicContact CD1-CE1 4.43Å; L53-F132 HydrophobicContact CD1-CE2 3.71Å; L53-F132 HydrophobicContact CD1-CG 4.18Å; L53-F132 HydrophobicContact CD1-CZ 4.05Å; L53-F132 HydrophobicContact CD2-CD1 4.03Å; L53-F132 HydrophobicContact CD2-CE1 3.56Å; L53-F132 HydrophobicContact CD2-CE2 4.2Å; L53-F132 HydrophobicContact CD2-CZ 3.66Å; L53-F132 HydrophobicContact CG-CE2 4.31Å; L53-F132 HydrophobicContact CG-CZ 4.19Å; V55-F132 HydrophobicContact CG2-CE1 4.43Å; L77-F132 HydrophobicContact CD1-CE1 4.32Å; Y112-F132 AromaticContact CD2-CE1 3.88Å; Y112-F132 HydrophobicContact CD2-CE1 3.88Å; Y112-F132 AromaticContact CD2-CZ 3.77Å; Y112-F132 HydrophobicContact CD2-CZ 3.77Å; Y112-F132 AromaticContact CE2-CE1 3.88Å; Y112-F132 HydrophobicContact CE2-CE1 3.88Å; Y112-F132 HydrophobicContact CE2-CZ 4.21Å; Y112-F132 HydrophobicContact CG-CZ 4.1Å; F128-F132 HydrophobicContact CD1-CE2 4.17Å; F128-F132 HydrophobicContact CD2-CE2 4.49Å; F128-F132 AromaticContact CE1-CE2 3.76Å; F128-F132 HydrophobicContact CE1-CE2 3.76Å; F128-F132 HydrophobicContact CE1-CZ 4.43Å; F128-F132 HydrophobicContact CE2-CE2 4.1Å; F128-F132 HydrophobicContact CE2-CZ 4.3Å; F128-F132 AromaticContact CZ-CE2 3.74Å; F128-F132 HydrophobicContact CZ-CE2 3.74Å; F128-F132 AromaticContact CZ-CZ 3.98Å; F128-F132 HydrophobicContact CZ-CZ 3.98Å; S129-F132 PolarHBondContact O-N 3.07Å; Q130-F132 PolarHBondContact O-N 3.24Å; F132-Y261 WeakPolarHBondContact CA-OH 3.28Å; F132-Y261 PolarHBondContact O-OH 3.36Å; F132-Y261 VanDerWaalsContact O-OH 3.05Å; F132-Y265 HydrophobicContact CD1-CD1 4.09Å; F132-Y265 HydrophobicContact CD1-CE1 4.38Å; F132-Y265 HydrophobicContact CE1-CD1 4.47Å; F132-Y265 HydrophobicContact CE1-CE1 4.31Å; F132-M270 HydrophobicContact CB-CE 4.31Å; F132-M270 HydrophobicContact CB-SD 4.47Å; F132-M270 HydrophobicContact CD1-CE 4Å; F132-M270 HydrophobicContact CD1-SD 4.36Å; F132-M270 HydrophobicContact CG-CE 4.49Å; F132-F291 HydrophobicContact CD2-CE1 4.34Å; F132-V294 HydrophobicContact CB-CG1 4.22Å; F132-V294 HydrophobicContact CB-CG2 3.88Å
133	V	94.2	Very high	90.3	Very high	30 Å²	30	27.8 Å²	27.8	18%	0.182	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-62.6	179.2	-179.8	0	0	0	0	110.8	Q130 Y261 E293 V294	Q130-V133 PolarHBondContact O-N 3.38Å; V133-Y261 PolarHBondContact N-OH 2.84Å; V133-E293 HydrophobicContact CG1-CG 4.06Å; V133-E293 HydrophobicContact CG2-CB 4.37Å; V133-E293 HydrophobicContact CG2-CG 4.46Å; V133-V294 HydrophobicContact CG2-CG2 4.21Å
134	C	91.6	Very high	88.9	Confident	50 Å²	50	29 Å²	29	34%	0.338	16%	0.159	S	C	.	.			trans	-148.1	69.4	-172	-159.8	0	0	0	0	112.5	T81 K82 Q130	T81-C134 WeakPolarHBondContact CA-O 3.26Å; K82-C134 HydrophobicContact CB-CB 4.02Å; K82-C134 PolarHBondContact N-O 3.02Å; Q130-C134 PolarHBondContact O-N 3.26Å; Q130-C134 VanDerWaalsContact O-N 3.08Å
135	P	93.5	Very high	87.3	Confident	14 Å²	14	29.4 Å²	29.4	9%	0.091	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-65.5	144.6	170.5	29.5	-35.5	0	0	0	111	L77 F137 Y261	L77-P135 HydrophobicContact CD2-CB 3.46Å; L77-P135 VanDerWaalsContact CD2-CB 3.46Å; L77-P135 HydrophobicContact CD2-CG 3.7Å; P135-F137 HydrophobicContact CB-CD1 4.29Å; P135-F137 HydrophobicContact CB-CD2 4.36Å; P135-F137 HydrophobicContact CB-CE1 4Å; P135-F137 HydrophobicContact CB-CE2 4.04Å; P135-F137 HydrophobicContact CB-CZ 3.88Å; P135-F137 HydrophobicContact CG-CD2 4.16Å; P135-F137 HydrophobicContact CG-CE1 4.33Å; P135-F137 HydrophobicContact CG-CE2 3.56Å; P135-F137 HydrophobicContact CG-CZ 3.69Å; P135-Y261 WeakPolarHBondContact CD-OH 3.27Å; P135-Y261 HydrophobicContact CG-CD1 4.23Å; P135-Y261 HydrophobicContact CG-CD2 4.2Å; P135-Y261 HydrophobicContact CG-CE1 3.78Å; P135-Y261 HydrophobicContact CG-CE2 3.73Å; P135-Y261 HydrophobicContact CG-CG 4.43Å
136	L	91.4	Very high	85.7	Confident	53 Å²	53	29.6 Å²	29.6	28%	0.277	16%	0.162	S	C	.	.			trans	-78.1	-39.5	-177	-72.5	175.7	0	0	0	112.9	G80 K82 P85 T138	G80-L136 PolarHBondContact O-N 3.35Å; G80-L136 VanDerWaalsContact O-N 3.15Å; K82-L136 HydrophobicContact CB-CD2 4.48Å; P85-L136 HydrophobicContact CB-CD1 3.91Å; L136-T138 VanDerWaalsContact C-N 3.31Å; L136-T138 HydrophobicContact CB-CG2 3.78Å; L136-T138 HydrophobicContact CD1-CG2 4.18Å; L136-T138 PolarHBondContact O-N 3.37Å
137	F	89.9	Confident	83.5	Confident	3 Å²	3	28.2 Å²	28.2	1%	0.013	16%	0.156	C	C	.	.			trans	41.9	58.3	-169.5	-59.4	-43.1	0	0	0	110.7	M76 L77 P135 R254 L257 L258 Y261	M76-F137 HydrophobicContact CB-CD1 3.58Å; M76-F137 HydrophobicContact CB-CE1 3.54Å; M76-F137 HydrophobicContact CE-CB 4.24Å; M76-F137 HydrophobicContact CE-CD1 4.08Å; L77-F137 HydrophobicContact CD2-CE1 3.65Å; L77-F137 HydrophobicContact CD2-CZ 3.52Å; L77-F137 HydrophobicContact CG-CE1 4.31Å; L77-F137 HydrophobicContact CG-CZ 4.4Å; P135-F137 HydrophobicContact CB-CD1 4.29Å; P135-F137 HydrophobicContact CB-CD2 4.36Å; P135-F137 HydrophobicContact CB-CE1 4Å; P135-F137 HydrophobicContact CB-CE2 4.04Å; P135-F137 HydrophobicContact CB-CZ 3.88Å; P135-F137 HydrophobicContact CG-CD2 4.16Å; P135-F137 HydrophobicContact CG-CE1 4.33Å; P135-F137 HydrophobicContact CG-CE2 3.56Å; P135-F137 HydrophobicContact CG-CZ 3.69Å; F137-R254 PolarHBondContact O-NE 3.18Å; F137-R254 PolarHBondContact O-NH2 3.3Å; F137-L257 HydrophobicContact CB-CD2 4.05Å; F137-L257 HydrophobicContact CD1-CD2 3.73Å; F137-L257 HydrophobicContact CD1-CG 4.35Å; F137-L257 HydrophobicContact CD2-CD2 4.28Å; F137-L257 HydrophobicContact CD2-CG 4.22Å; F137-L257 HydrophobicContact CE1-CD1 4.48Å; F137-L257 HydrophobicContact CE1-CD2 4.11Å; F137-L257 HydrophobicContact CE1-CG 4.4Å; F137-L257 HydrophobicContact CE2-CG 4.31Å; F137-L257 HydrophobicContact CG-CD2 3.78Å; F137-L257 HydrophobicContact CG-CG 4.22Å; F137-L257 HydrophobicContact CZ-CD1 4.39Å; F137-L257 HydrophobicContact CZ-CG 4.37Å; F137-L258 HydrophobicContact CD2-CD2 3.76Å; F137-L258 HydrophobicContact CD2-CG 4.31Å; F137-Y261 HydrophobicContact CE2-CD1 4.29Å; F137-Y261 AromaticContact CE2-CD2 3.95Å; F137-Y261 HydrophobicContact CE2-CD2 3.95Å; F137-Y261 AromaticContact CE2-CG 3.73Å; F137-Y261 HydrophobicContact CE2-CG 3.73Å; F137-Y261 AromaticContact CZ-CD2 3.8Å; F137-Y261 HydrophobicContact CZ-CD2 3.8Å; F137-Y261 HydrophobicContact CZ-CE2 4.44Å; F137-Y261 HydrophobicContact CZ-CG 4.06Å
138	T	86	Confident	80.9	Confident	40 Å²	40	31.5 Å²	31.5	25%	0.245	17%	0.17	C	C	.	.			trans	-61.7	153.5	-171.3	67.6	0	0	0	0	111.2	L136 S140 A141 T142	L136-T138 VanDerWaalsContact C-N 3.31Å; L136-T138 HydrophobicContact CB-CG2 3.78Å; L136-T138 HydrophobicContact CD1-CG2 4.18Å; L136-T138 PolarHBondContact O-N 3.37Å; T138-S140 VanDerWaalsContact C-N 3.28Å; T138-S140 PolarHBondContact O-N 2.91Å; T138-A141 PolarHBondContact O-N 3.36Å; T138-A141 WeakPolarHBondContact OG1-CB 3.09Å; T138-A141 PolarHBondContact OG1-N 2.75Å; T138-T142 WeakPolarHBondContact O-CB 3.41Å; T138-T142 PolarHBondContact O-N 2.91Å; T138-T142 PolarHBondContact O-OG1 3.5Å
139	D	82.7	Confident	77.9	Confident	88 Å²	88	37.2 Å²	37.2	47%	0.471	20%	0.201	S	C	.	.	H	α-helix	trans	-59.4	-43.2	177.1	-60.8	-56.4	0	0	0	110.4	T142 E143 R254	D139-T142 PolarHBondContact O-N 3.46Å; D139-E143 WeakPolarHBondContact O-CB 3.4Å; D139-E143 WeakPolarHBondContact O-CG 3.3Å; D139-E143 PolarHBondContact O-N 2.89Å; D139-R254 WeakPolarHBondContact OD1-CD 2.94Å; D139-R254 IonicContact OD1-CZ 2.73Å; D139-R254 IonicContact OD1-NE 3.03Å; D139-R254 PolarHBondContact OD1-NE 2.94Å; D139-R254 IonicContact OD1-NH1 3.49Å; D139-R254 PolarHBondContact OD1-NH1 2.89Å; D139-R254 IonicContact OD2-NH1 3.46Å
140	S	79.2	Confident	74.6	Confident	68 Å²	68	43.2 Å²	43.2	48%	0.476	23%	0.23	S	C	.	.	H	α-helix	trans	-59.9	-47.3	176.1	174.9	0	0	0	0	113	T138 T142 E143 R144	T138-S140 VanDerWaalsContact C-N 3.28Å; T138-S140 PolarHBondContact O-N 2.91Å; S140-T142 VanDerWaalsContact C-N 3.34Å; S140-E143 PolarHBondContact O-N 3.25Å; S140-R144 WeakPolarHBondContact O-CB 3.44Å; S140-R144 VanDerWaalsContact O-CG 3.29Å; S140-R144 WeakPolarHBondContact O-CG 3.28Å; S140-R144 PolarHBondContact O-N 3.21Å; S140-R144 PolarHBondContact O-NE 3.22Å; S140-R144 PolarHBondContact OG-NE 3.44Å
141	A	76.5	Confident	71.2	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-65.1	-40.4	177.4	0	0	0	0	0	111.2	M76 L79 T138 R144 E145	M76-A141 HydrophobicContact CE-CB 4.06Å; L79-A141 HydrophobicContact CB-CB 4.17Å; L79-A141 HydrophobicContact CD1-CB 4.01Å; T138-A141 PolarHBondContact O-N 3.36Å; T138-A141 WeakPolarHBondContact OG1-CB 3.09Å; T138-A141 PolarHBondContact OG1-N 2.75Å; A141-R144 PolarHBondContact O-N 3.48Å; A141-E145 WeakPolarHBondContact O-CB 3.28Å; A141-E145 VanDerWaalsContact O-CG 3.31Å; A141-E145 WeakPolarHBondContact O-CG 3.41Å; A141-E145 PolarHBondContact O-N 3.21Å
142	T	76.6	Confident	67.9	Low	7 Å²	7	52.6 Å²	52.6	4%	0.043	29%	0.289	C	S	.	.	H	α-helix	trans	-65.7	-42.7	178.3	-51.5	0	0	0	0	111.5	F72 M76 T138 D139 S140 E145 I146 R254	F72-T142 HydrophobicContact CE1-CG2 4.01Å; F72-T142 HydrophobicContact CZ-CG2 4.02Å; M76-T142 WeakPolarHBondContact CE-OG1 3.36Å; T138-T142 WeakPolarHBondContact O-CB 3.41Å; T138-T142 PolarHBondContact O-N 2.91Å; T138-T142 PolarHBondContact O-OG1 3.5Å; D139-T142 PolarHBondContact O-N 3.46Å; S140-T142 VanDerWaalsContact C-N 3.34Å; T142-E145 PolarHBondContact O-N 2.94Å; T142-I146 HydrophobicContact CG2-CD1 3.64Å; T142-I146 WeakPolarHBondContact O-CB 3.37Å; T142-I146 VanDerWaalsContact O-CD1 3.27Å; T142-I146 WeakPolarHBondContact O-CD1 3.28Å; T142-I146 WeakPolarHBondContact O-CG1 3.42Å; T142-I146 PolarHBondContact O-N 3.48Å; T142-R254 HydrophobicContact CG2-CB 3.86Å; T142-R254 HydrophobicContact CG2-CG 4.29Å
143	E	71.2	Confident	64.5	Low	122 Å²	122	60.8 Å²	60.8	57%	0.57	33%	0.328	S	S	*	.	H	α-helix	trans	-66.7	-42.7	176.4	-76.3	179.3	-177	0	0	111.5	D139 S140 E145 I146 S147	D139-E143 WeakPolarHBondContact O-CB 3.4Å; D139-E143 WeakPolarHBondContact O-CG 3.3Å; D139-E143 PolarHBondContact O-N 2.89Å; S140-E143 PolarHBondContact O-N 3.25Å; E143-E145 VanDerWaalsContact C-N 3.27Å; E143-E145 PolarHBondContact O-N 3.41Å; E143-I146 PolarHBondContact O-N 3.28Å; E143-S147 WeakPolarHBondContact O-CA 2.99Å; E143-S147 WeakPolarHBondContact O-CB 3.37Å; E143-S147 PolarHBondContact O-N 2.78Å; E143-S147 PolarHBondContact O-OG 3.46Å
144	R	65.8	Low	61.4	Low	42 Å²	42	67.8 Å²	67.8	16%	0.158	36%	0.358	C	S	.	.	H	α-helix	trans	-61.6	-40	173.4	-73.1	-176.8	-62.7	107	-7.2	110.9	E87 S140 A141 I146 F196 E198	E87-R144 IonicContact OE1-NH2 2.87Å; E87-R144 PolarHBondContact OE1-NH2 3.3Å; E87-R144 IonicContact OE2-CZ 3.99Å; E87-R144 IonicContact OE2-NH1 2.77Å; E87-R144 IonicContact OE2-NH2 3.8Å; E87-R144 PolarHBondContact OE2-NH2 2.79Å; S140-R144 WeakPolarHBondContact O-CB 3.44Å; S140-R144 VanDerWaalsContact O-CG 3.29Å; S140-R144 WeakPolarHBondContact O-CG 3.28Å; S140-R144 PolarHBondContact O-N 3.21Å; S140-R144 PolarHBondContact O-NE 3.22Å; S140-R144 PolarHBondContact OG-NE 3.44Å; A141-R144 PolarHBondContact O-N 3.48Å; R144-I146 PolarHBondContact O-N 3.36Å; R144-F196 VanDerWaalsContact NH1-CE1 3.33Å; R144-E198 WeakPolarHBondContact O-CB 3.33Å; R144-E198 VanDerWaalsContact O-CD 3.3Å
145	E	63	Low	58.2	Low	7 Å²	7	69.3 Å²	69.3	3%	0.033	38%	0.382	C	S	.	.	H	α-helix	trans	-70.4	-8.9	-178.1	-62.2	-83.8	152.4	0	0	115.7	F72 M76 L79 A141 T142 E143 E198 S200	F72-E145 HydrophobicContact CD2-CB 4.46Å; F72-E145 HydrophobicContact CE2-CB 3.38Å; F72-E145 HydrophobicContact CZ-CB 3.8Å; M76-E145 HydrophobicContact SD-CB 3.86Å; M76-E145 HydrophobicContact SD-CG 3.66Å; L79-E145 HydrophobicContact CD1-CG 3.36Å; L79-E145 WeakPolarHBondContact CD1-OE1 3.24Å; A141-E145 WeakPolarHBondContact O-CB 3.28Å; A141-E145 VanDerWaalsContact O-CG 3.31Å; A141-E145 WeakPolarHBondContact O-CG 3.41Å; A141-E145 PolarHBondContact O-N 3.21Å; T142-E145 PolarHBondContact O-N 2.94Å; E143-E145 VanDerWaalsContact C-N 3.27Å; E143-E145 PolarHBondContact O-N 3.41Å; E145-E198 WeakPolarHBondContact CA-OE1 3.43Å; E145-E198 WeakPolarHBondContact CA-OE2 3.35Å; E145-E198 VanDerWaalsContact CB-OE1 3.3Å; E145-E198 WeakPolarHBondContact CB-OE1 3.36Å; E145-E198 VanDerWaalsContact CG-CD 3.48Å; E145-E198 WeakPolarHBondContact CG-OE1 3.42Å; E145-E198 PolarHBondContact N-OE1 3.09Å; E145-S200 WeakPolarHBondContact O-CB 3.42Å; E145-S200 PolarHBondContact O-OG 3.26Å
146	I	63.9	Low	54.9	Low	5 Å²	5	77.6 Å²	77.6	3%	0.026	42%	0.417	C	S	.	.	H	α-helix	trans	-124.1	-26.4	-175.2	-59.9	171.8	0	0	0	112.5	F72 T142 E143 R144 L242 F243 T253	F72-I146 HydrophobicContact CD2-CG1 4.4Å; F72-I146 HydrophobicContact CE1-CD1 3.75Å; F72-I146 HydrophobicContact CE1-CG1 4.07Å; F72-I146 HydrophobicContact CE2-CD1 4.08Å; F72-I146 HydrophobicContact CE2-CG1 3.44Å; F72-I146 VanDerWaalsContact CE2-CG1 3.44Å; F72-I146 HydrophobicContact CZ-CD1 3.42Å; F72-I146 VanDerWaalsContact CZ-CD1 3.42Å; F72-I146 HydrophobicContact CZ-CG1 3.28Å; T142-I146 HydrophobicContact CG2-CD1 3.64Å; T142-I146 WeakPolarHBondContact O-CB 3.37Å; T142-I146 VanDerWaalsContact O-CD1 3.27Å; T142-I146 WeakPolarHBondContact O-CD1 3.28Å; T142-I146 WeakPolarHBondContact O-CG1 3.42Å; T142-I146 PolarHBondContact O-N 3.48Å; E143-I146 PolarHBondContact O-N 3.28Å; R144-I146 PolarHBondContact O-N 3.36Å; I146-L242 HydrophobicContact CG2-CB 4.4Å; I146-F243 HydrophobicContact CB-CD2 4.2Å; I146-F243 HydrophobicContact CG2-CB 3.12Å; I146-F243 HydrophobicContact CG2-CD2 3.24Å; I146-F243 HydrophobicContact CG2-CE2 4.31Å; I146-F243 HydrophobicContact CG2-CG 3.42Å; I146-F243 VanDerWaalsContact CG2-CG 3.42Å; I146-T253 HydrophobicContact CD1-CG2 3.47Å; I146-T253 VanDerWaalsContact CD1-CG2 3.47Å
147	S	50.1	Low	51.8	Low	23 Å²	23	80.9 Å²	80.9	16%	0.161	44%	0.443	C	S	.	.			trans	-113	143.8	-168.6	76	0	0	0	0	114.8	E143	E143-S147 WeakPolarHBondContact O-CA 2.99Å; E143-S147 WeakPolarHBondContact O-CB 3.37Å; E143-S147 PolarHBondContact O-N 2.78Å; E143-S147 PolarHBondContact O-OG 3.46Å
148	F	40.9	Very low	48.6	Very low	76 Å²	76	88 Å²	88	33%	0.333	48%	0.481	S	S	.	.			trans	-100.1	111	170.9	-168.1	-69	0	0	0	108.5	M150	F148-M150 HydrophobicContact CD1-CB 4.34Å; F148-M150 HydrophobicContact CD1-CG 3.85Å; F148-M150 HydrophobicContact CE1-CB 4.08Å; F148-M150 HydrophobicContact CE1-CG 3.22Å; F148-M150 HydrophobicContact CZ-CG 4.19Å; F148-M150 PolarHBondContact O-N 3.44Å
149	N	32.5	Very low	45.6	Very low	120 Å²	120	95.2 Å²	95.2	64%	0.642	51%	0.509	S	S	*	.			trans	-93.5	93.5	168.3	-82.1	-29.6	0	0	0	109.9	V151	N149-V151 HydrophobicContact CB-CG2 4.47Å; N149-V151 PolarHBondContact O-N 2.83Å
150	M	28.8	Very low	42.8	Very low	128 Å²	128	96.5 Å²	96.5	63%	0.631	52%	0.519	S	S	*	.			trans	-69	92.3	151.3	-85.5	-155.1	-73.6	0	0	106	F148 T152	F148-M150 HydrophobicContact CD1-CB 4.34Å; F148-M150 HydrophobicContact CD1-CG 3.85Å; F148-M150 HydrophobicContact CE1-CB 4.08Å; F148-M150 HydrophobicContact CE1-CG 3.22Å; F148-M150 HydrophobicContact CZ-CG 4.19Å; F148-M150 PolarHBondContact O-N 3.44Å; M150-T152 PolarHBondContact O-N 3.21Å
151	V	25.8	Very low	40.1	Very low	132 Å²	132	99.2 Å²	99.2	80%	0.8	53%	0.533	S	S	*	.			trans	-68.9	93.2	157.8	-175.2	0	0	0	0	106	N149	N149-V151 HydrophobicContact CB-CG2 4.47Å; N149-V151 PolarHBondContact O-N 2.83Å
152	T	26.2	Very low	37.7	Very low	94 Å²	94	105.7 Å²	105.7	58%	0.577	57%	0.568	S	S	*	*			trans	-104.7	119.2	160.7	41.1	0	0	0	0	107.2	M150 H154	M150-T152 PolarHBondContact O-N 3.21Å; T152-H154 PolarHBondContact O-N 3.48Å
153	E	24.3	Very low	35.2	Very low	175 Å²	175	115.8 Å²	115.8	82%	0.818	61%	0.605	S	S	*	*	S	Bend	trans	-53	126.4	163.9	-71.1	179.8	146.4	0	0	107.8
154	H	29.2	Very low	32.9	Very low	177 Å²	177	118.4 Å²	118.4	82%	0.819	61%	0.614	S	S	*	*	S	Bend	trans	86.2	61.3	-178	-49.1	-48.3	0	0	0	118.2	T152 K156	T152-H154 PolarHBondContact O-N 3.48Å; H154-K156 VanDerWaalsContact C-N 3.31Å; H154-K156 PolarHBondContact O-N 2.98Å
155	G	25.2	Very low	30.9	Very low	82 Å²	82	121.1 Å²	121.1	85%	0.845	63%	0.632	S	S	*	*				51.6	22	116.2	0	0	0	0	0	121.4
156	K	24.8	Very low	29.2	Very low	187 Å²	187	122.4 Å²	122.4	81%	0.813	64%	0.637	S	S	*	*			trans	-141.6	92.7	172.3	-76.3	-173.9	178.1	176.8	0	111.7	H154 L158	H154-K156 VanDerWaalsContact C-N 3.31Å; H154-K156 PolarHBondContact O-N 2.98Å; K156-L158 PolarHBondContact O-N 3.19Å
157	C	24.5	Very low	27.3	Very low	122 Å²	122	122.4 Å²	122.4	82%	0.824	64%	0.637	S	S	*	*			trans	-75.2	105.6	163.7	-93.1	0	0	0	0	109.7
158	L	23.8	Very low	26.3	Very low	154 Å²	154	121.7 Å²	121.7	81%	0.806	63%	0.631	S	S	*	*			trans	-91.6	122.8	162	-121.4	108.7	0	0	0	108.5	K156 V160	K156-L158 PolarHBondContact O-N 3.19Å; L158-V160 PolarHBondContact O-N 3.45Å
159	F	22.9	Very low	25.5	Very low	191 Å²	191	120.3 Å²	120.3	84%	0.838	63%	0.63	S	S	*	*			trans	-61.2	124.2	170.3	-75.9	-98.2	0	0	0	110.4
160	V	24.5	Very low	25.1	Very low	115 Å²	115	119.9 Å²	119.9	70%	0.697	63%	0.628	S	S	*	*			trans	-132.3	103	160.1	-177.9	0	0	0	0	108.6	L158 N162	L158-V160 PolarHBondContact O-N 3.45Å; V160-N162 PolarHBondContact O-N 2.92Å
161	V	22.7	Very low	24.9	Very low	125 Å²	125	119.8 Å²	119.8	76%	0.758	63%	0.63	S	S	*	*			trans	-74.7	112.9	165.7	177.5	0	0	0	0	107.6
162	N	25.3	Very low	24.9	Very low	136 Å²	136	118.4 Å²	118.4	73%	0.727	62%	0.618	S	S	*	*			trans	-142.7	95.9	166	-110.9	-34.4	0	0	0	107.2	V160	V160-N162 PolarHBondContact O-N 2.92Å
163	R	23.8	Very low	24.8	Very low	218 Å²	218	121.5 Å²	121.5	82%	0.823	62%	0.624	S	S	*	*				44.6	87.8	86.1	-81.7	-170.9	172.3	-176.2	-1.1	113.7
164	K	23.4	Very low	24.8	Very low	177 Å²	177	115.8 Å²	115.8	77%	0.77	60%	0.602	S	S	*	*				151	133.8	117.5	-85.4	177.1	175.8	-179.3	0	112.3
165	L	24.3	Very low	24.7	Very low	100 Å²	100	114 Å²	114	52%	0.524	59%	0.592	S	S	.	*			trans	76.8	130.3	152.6	-64.6	149.7	0	0	0	116.2	L323	L165-L323 HydrophobicContact CD2-CD2 3.87Å
166	F	25.6	Very low	24.7	Very low	33 Å²	33	111.2 Å²	111.2	15%	0.145	56%	0.558	C	S	.	*				-173.1	138.3	110.2	-114.1	-99.9	0	0	0	112.3	S210 S211 G743 Q744 P745	F166-S210 CarbonylContact O-C 3.59Å; F166-S211 WeakPolarHBondContact O-CA 3.32Å; F166-S211 WeakPolarHBondContact O-CB 3.46Å; F166-S211 PolarHBondContact O-N 3.33Å; F166-S211 VanDerWaalsContact O-N 3.14Å; F166-G743 WeakPolarHBondContact CD2-O 3.24Å; F166-G743 WeakPolarHBondContact CE2-O 3.37Å; F166-Q744 HydrophobicContact CE1-CB 4.39Å; F166-Q744 HydrophobicContact CE1-CG 3.82Å; F166-Q744 HydrophobicContact CE2-CB 4.33Å; F166-Q744 HydrophobicContact CE2-CG 4.25Å; F166-Q744 VanDerWaalsContact CZ-CA 3.45Å; F166-Q744 HydrophobicContact CZ-CB 4.01Å; F166-Q744 HydrophobicContact CZ-CG 3.49Å; F166-Q744 VanDerWaalsContact CZ-CG 3.49Å; F166-Q744 VanDerWaalsContact CZ-NE2 3.32Å; F166-P745 HydrophobicContact CB-CG 3.88Å; F166-P745 HydrophobicContact CD2-CG 4.33Å; F166-P745 HydrophobicContact CG-CG 3.96Å
167	Q	25.4	Very low	24.7	Very low	5 Å²	5	105.1 Å²	105.1	2%	0.023	54%	0.542	C	S	.	.			trans	-140	135.7	160.9	-90.1	164	-26.4	0	0	106.4	S210 S211 N212 D213 R216 L323 A633	Q167-S210 WeakPolarHBondContact CG-O 3.24Å; Q167-S211 CarbonylContact C-O 3.02Å; Q167-S211 WeakPolarHBondContact CA-O 3.18Å; Q167-S211 WeakPolarHBondContact CB-O 3.4Å; Q167-S211 VanDerWaalsContact CG-CA 3.49Å; Q167-S211 WeakPolarHBondContact CG-O 3.36Å; Q167-N212 PolarHBondContact NE2-O 3.47Å; Q167-D213 PolarHBondContact NE2-OD1 3.06Å; Q167-D213 PolarHBondContact OE1-OD1 2.84Å; Q167-R216 VanDerWaalsContact CD-NE 3.27Å; Q167-R216 VanDerWaalsContact NE2-CB 3.3Å; Q167-L323 HydrophobicContact CB-CB 3.63Å; Q167-L323 HydrophobicContact CB-CD1 3.36Å; Q167-L323 HydrophobicContact CB-CG 3.94Å; Q167-L323 HydrophobicContact CG-CB 4.23Å; Q167-L323 HydrophobicContact CG-CD1 3.51Å; Q167-L323 HydrophobicContact CG-CG 4.14Å; Q167-A633 CarbonylContact C-O 3.57Å
168	Y	28.7	Very low	24.9	Very low	8 Å²	8	102.4 Å²	102.4	3%	0.031	52%	0.517	C	S	.	.				-161.7	148.6	68.9	-88.2	-80.3	0	0	0	117.2	S211 D213 L323 N324 A633 P635	Y168-S211 CarbonylContact C-O 3.57Å; Y168-S211 WeakPolarHBondContact CA-O 3.36Å; Y168-S211 PolarHBondContact N-O 2.9Å; Y168-S211 VanDerWaalsContact N-O 3.14Å; Y168-D213 HydrophobicContact CE1-CB 3.75Å; Y168-D213 VanDerWaalsContact CE1-CG 3.46Å; Y168-D213 WeakPolarHBondContact CE1-OD2 3.15Å; Y168-D213 PolarHBondContact OH-OD1 2.86Å; Y168-D213 PolarHBondContact OH-OD2 2.88Å; Y168-L323 HydrophobicContact CE2-CB 3.43Å; Y168-L323 VanDerWaalsContact CE2-CB 3.43Å; Y168-L323 WeakPolarHBondContact OH-CA 3.33Å; Y168-L323 VanDerWaalsContact OH-CB 3.31Å; Y168-L323 WeakPolarHBondContact OH-CB 3.26Å; Y168-L323 PolarHBondContact OH-N 3.34Å; Y168-N324 HydrophobicContact CD1-CB 3.99Å; Y168-N324 WeakPolarHBondContact CD1-ND2 3.5Å; Y168-N324 HydrophobicContact CD2-CB 3.84Å; Y168-N324 WeakPolarHBondContact CD2-ND2 3.3Å; Y168-N324 WeakPolarHBondContact CD2-OD1 3.23Å; Y168-N324 HydrophobicContact CE1-CB 3.37Å; Y168-N324 WeakPolarHBondContact CE1-ND2 3.22Å; Y168-N324 HydrophobicContact CE2-CB 3.3Å; Y168-N324 WeakPolarHBondContact CE2-OD1 3.34Å; Y168-N324 HydrophobicContact CG-CB 4.18Å; Y168-N324 VanDerWaalsContact CZ-CA 3.45Å; Y168-N324 WeakPolarHBondContact OH-CA 3.43Å; Y168-N324 WeakPolarHBondContact OH-CB 3.14Å; Y168-N324 PolarHBondContact OH-N 2.9Å; Y168-A633 HydrophobicContact CD2-CB 3.81Å; Y168-A633 PolarHBondContact N-O 3.49Å; Y168-A633 VanDerWaalsContact N-O 3.09Å; Y168-P635 WeakPolarHBondContact O-CD 3.37Å
169	C	23.6	Very low	25	Very low	48 Å²	48	97.2 Å²	97.2	32%	0.324	49%	0.492	S	S	.	.			trans	-156.8	109.1	145.5	-106.6	0	0	0	0	114.1	S211 N212	C169-S211 PolarHBondContact N-O 3.14Å; C169-N212 PolarHBondContact O-ND2 3.11Å
170	N	23.7	Very low	25.2	Very low	110 Å²	110	91.2 Å²	91.2	59%	0.588	47%	0.466	S	S	*	.			trans	-168	155.1	142.6	-99.2	-24.4	0	0	0	109.4
171	N	25.7	Very low	25.2	Very low	126 Å²	126	88.2 Å²	88.2	67%	0.674	45%	0.45	S	S	*	.			trans	86.5	100.8	-179.2	-62.2	-18.9	0	0	0	117.4
172	D	25	Very low	25.3	Very low	103 Å²	103	85.6 Å²	85.6	55%	0.551	43%	0.43	S	S	*	.			trans	-70.8	105.8	163.1	-97.3	-45.8	0	0	0	111.7	K183	D172-K183 VanDerWaalsContact OD1-CE 3.23Å; D172-K183 WeakPolarHBondContact OD1-CE 3.46Å; D172-K183 IonicContact OD1-NZ 3.49Å; D172-K183 PolarHBondContact OD1-NZ 3.46Å; D172-K183 IonicContact OD2-NZ 3.52Å
173	F	25.1	Very low	25.3	Very low	160 Å²	160	81.9 Å²	81.9	70%	0.702	41%	0.407	S	S	*	.			trans	-147.5	78.9	154.5	-93.3	-82.4	0	0	0	107.4	F175	F173-F175 HydrophobicContact CD1-CE2 4.3Å
174	C	24.5	Very low	25.4	Very low	54 Å²	54	76.8 Å²	76.8	37%	0.365	39%	0.389	S	S	.	.			trans	-89.9	105.7	161.7	-72.1	0	0	0	0	107.9	Y638	C174-Y638 PolarHBondContact SG-OH 2.99Å; C174-Y638 VanDerWaalsContact SG-OH 3.35Å
175	F	25.7	Very low	25.5	Very low	140 Å²	140	72.9 Å²	72.9	61%	0.614	37%	0.374	S	S	*	.			trans	-72	128.8	157.6	-92.6	-99.6	0	0	0	107.8	F173 T581	F173-F175 HydrophobicContact CD1-CE2 4.3Å; F175-T581 WeakPolarHBondContact CD1-O 3.35Å
176	N	26	Very low	25.4	Very low	24 Å²	24	73.7 Å²	73.7	13%	0.128	38%	0.379	C	S	.	.	S	Bend	trans	59.9	70.8	164.8	-57.3	-45.9	0	0	0	118.2	E580 T581 C583	N176-E580 HydrophobicContact CB-CG 3.65Å; N176-E580 VanDerWaalsContact CB-O 3.29Å; N176-E580 WeakPolarHBondContact CB-O 3.02Å; N176-E580 PolarHBondContact ND2-O 2.89Å; N176-T581 PolarHBondContact ND2-O 3.3Å; N176-C583 WeakPolarHBondContact OD1-CB 3.5Å
177	A	24.9	Very low	25.3	Very low	58 Å²	58	79.3 Å²	79.3	48%	0.479	41%	0.405	S	S	.	.			trans	-142	24.1	140.3	0	0	0	0	0	110.5	V179 F180	A177-V179 PolarHBondContact O-N 2.97Å; A177-F180 CarbonylContact O-C 3.51Å; A177-F180 PolarHBondContact O-N 2.88Å
178	H	27.6	Very low	25.2	Very low	65 Å²	65	88.1 Å²	88.1	30%	0.301	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	55.2	-175.6	-76.8	-62	0	0	0	112.3	S181	H178-S181 WeakPolarHBondContact CE1-CB 3.39Å; H178-S181 PolarHBondContact CE1-OG 2.92Å; H178-S181 WeakPolarHBondContact ND1-CB 3.08Å; H178-S181 PolarHBondContact ND1-OG 3.29Å
179	V	27.7	Very low	25	Very low	46 Å²	46	91.6 Å²	91.6	28%	0.279	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-19	150.9	-177.4	0	0	0	0	110.3	A177 P724	A177-V179 PolarHBondContact O-N 2.97Å; V179-P724 HydrophobicContact CG1-CG 4.31Å
180	F	25.5	Very low	25	Very low	64 Å²	64	92.3 Å²	92.3	28%	0.281	47%	0.468	S	S	.	.	S	Bend	trans	-133.8	90.8	157.9	-84.5	-87.4	0	0	0	109.1	A177 R797 S798 N799	A177-F180 CarbonylContact O-C 3.51Å; A177-F180 PolarHBondContact O-N 2.88Å; F180-R797 WeakPolarHBondContact CD1-O 3.39Å; F180-R797 HydrophobicContact CE1-CB 4.15Å; F180-R797 VanDerWaalsContact CE1-O 3.32Å; F180-R797 WeakPolarHBondContact CE1-O 3.49Å; F180-S798 VanDerWaalsContact CD1-CA 3.48Å; F180-S798 VanDerWaalsContact CE1-CA 3.41Å; F180-N799 VanDerWaalsContact CD2-N 3.3Å; F180-N799 HydrophobicContact CE2-CB 4.1Å; F180-N799 WeakPolarHBondContact CE2-OD1 3.34Å
181	S	24.9	Very low	25	Very low	53 Å²	53	88.6 Å²	88.6	37%	0.371	46%	0.455	S	S	.	.			trans	-108.6	121.2	154.5	64.9	0	0	0	0	109.2	H178 K183	H178-S181 WeakPolarHBondContact CE1-CB 3.39Å; H178-S181 PolarHBondContact CE1-OG 2.92Å; H178-S181 WeakPolarHBondContact ND1-CB 3.08Å; H178-S181 PolarHBondContact ND1-OG 3.29Å; S181-K183 PolarHBondContact O-N 3.08Å; S181-K183 WeakPolarHBondContact OG-CB 3.13Å
182	E	26.2	Very low	25.1	Very low	70 Å²	70	84.9 Å²	84.9	33%	0.327	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-55.7	29.7	145.8	-69.9	176.3	139.4	0	0	111.5	Y184 M185 L186 R805	E182-Y184 PolarHBondContact O-N 3.32Å; E182-M185 HydrophobicContact CB-CB 4.41Å; E182-M185 CarbonylContact O-C 3.49Å; E182-M185 PolarHBondContact O-N 2.91Å; E182-L186 HydrophobicContact CB-CD1 4.06Å; E182-L186 HydrophobicContact CB-CG 4.25Å; E182-L186 VanDerWaalsContact O-CB 3.26Å; E182-L186 WeakPolarHBondContact O-CB 3.23Å; E182-L186 VanDerWaalsContact O-CG 3.29Å; E182-L186 WeakPolarHBondContact O-CG 3.4Å; E182-L186 PolarHBondContact O-N 3.06Å; E182-R805 IonicContact OE1-NE 2.71Å; E182-R805 IonicContact OE1-NH2 3.68Å; E182-R805 IonicContact OE2-NH2 3.72Å
183	K	25.3	Very low	25.3	Very low	58 Å²	58	80.9 Å²	80.9	25%	0.252	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-77.1	-1	174.4	-86.7	-154.6	-178.1	-169	0	114.2	D172 S181	D172-K183 VanDerWaalsContact OD1-CE 3.23Å; D172-K183 WeakPolarHBondContact OD1-CE 3.46Å; D172-K183 IonicContact OD1-NZ 3.49Å; D172-K183 PolarHBondContact OD1-NZ 3.46Å; D172-K183 IonicContact OD2-NZ 3.52Å; S181-K183 PolarHBondContact O-N 3.08Å; S181-K183 WeakPolarHBondContact OG-CB 3.13Å
184	Y	25.2	Very low	25.5	Very low	110 Å²	110	78.2 Å²	78.2	43%	0.431	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-103	9.9	158.8	-82	-80.1	0	0	0	113.8	E182 Q859	E182-Y184 PolarHBondContact O-N 3.32Å; Y184-Q859 PolarHBondContact OH-NE2 3.29Å
185	M	24.4	Very low	25.6	Very low	95 Å²	95	75.9 Å²	75.9	47%	0.468	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-3.6	163.5	-67.5	-72.8	-90.3	0	0	113	E182	E182-M185 HydrophobicContact CB-CB 4.41Å; E182-M185 CarbonylContact O-C 3.49Å; E182-M185 PolarHBondContact O-N 2.91Å
186	L	23.8	Very low	25.6	Very low	118 Å²	118	72 Å²	72	62%	0.618	38%	0.376	S	S	*	.	S	Bend	trans	-98.8	10.4	175.8	-74.2	164.8	0	0	0	113.3	E182	E182-L186 HydrophobicContact CB-CD1 4.06Å; E182-L186 HydrophobicContact CB-CG 4.25Å; E182-L186 VanDerWaalsContact O-CB 3.26Å; E182-L186 WeakPolarHBondContact O-CB 3.23Å; E182-L186 VanDerWaalsContact O-CG 3.29Å; E182-L186 WeakPolarHBondContact O-CG 3.4Å; E182-L186 PolarHBondContact O-N 3.06Å
187	Q	22.1	Very low	25.8	Very low	150 Å²	150	71.8 Å²	71.8	70%	0.701	38%	0.376	S	S	*	.	S	Bend	trans	-103.4	95.7	166.3	-86.8	-173.1	-28.8	0	0	109.6
188	K	23.6	Very low	26.2	Very low	191 Å²	191	69.5 Å²	69.5	83%	0.83	36%	0.356	S	S	*	.			trans	53.1	57.6	175.5	-73.7	-169.1	173.8	-174.8	0	115.4	C190	K188-C190 PolarHBondContact O-N 2.99Å
189	D	24.8	Very low	26.8	Very low	81 Å²	81	67.4 Å²	67.4	43%	0.433	35%	0.347	S	S	.	.			trans	-73.3	77.3	142.1	-87.7	-10.8	0	0	0	107.6	G191	D189-G191 PolarHBondContact O-N 3.33Å
190	C	23.7	Very low	28.1	Very low	63 Å²	63	65.5 Å²	65.5	43%	0.426	34%	0.336	S	S	.	.			trans	-88.1	68.8	150	-59.9	0	0	0	0	105.8	N102 K188	N102-C190 HydrophobicContact CB-CB 4.14Å; N102-C190 WeakPolarHBondContact ND2-CB 3.18Å; N102-C190 PolarHBondContact ND2-SG 3.07Å; N102-C190 VanDerWaalsContact ND2-SG 3.42Å; K188-C190 PolarHBondContact O-N 2.99Å
191	G	23.7	Very low	29.8	Very low	32 Å²	32	62.7 Å²	62.7	33%	0.33	33%	0.325	S	S	.	.			trans	-136.6	125	-178.3	0	0	0	0	0	107.8	D189	D189-G191 PolarHBondContact O-N 3.33Å
192	G	26.6	Very low	31.9	Very low	47 Å²	47	60.2 Å²	60.2	49%	0.485	31%	0.307	S	S	.	.	S	Bend	trans	109.7	95.8	168.4	0	0	0	0	0	113.8
193	Y	29.9	Very low	34.1	Very low	20 Å²	20	58.5 Å²	58.5	8%	0.078	30%	0.299	C	S	.	.			trans	53.6	109.8	153.7	-60.8	-107.9	0	0	0	119.6	L91 T95 F778	L91-Y193 HydrophobicContact CB-CD1 4.37Å; L91-Y193 HydrophobicContact CB-CE1 4.44Å; L91-Y193 VanDerWaalsContact CD1-CA 3.47Å; L91-Y193 HydrophobicContact CD1-CD1 3.95Å; L91-Y193 HydrophobicContact CD1-CD2 4.1Å; L91-Y193 HydrophobicContact CD1-CE1 4.31Å; L91-Y193 HydrophobicContact CD1-CE2 4.49Å; L91-Y193 HydrophobicContact CD1-CG 3.78Å; L91-Y193 HydrophobicContact CD2-CD1 3.22Å; L91-Y193 HydrophobicContact CD2-CE1 4.03Å; L91-Y193 HydrophobicContact CD2-CG 3.58Å; L91-Y193 HydrophobicContact CG-CD1 3.18Å; L91-Y193 HydrophobicContact CG-CD2 4.24Å; L91-Y193 HydrophobicContact CG-CE1 3.53Å; L91-Y193 HydrophobicContact CG-CG 3.54Å; T95-Y193 VanDerWaalsContact CB-CE2 3.47Å; T95-Y193 VanDerWaalsContact CB-CZ 3.45Å; T95-Y193 WeakPolarHBondContact CB-OH 3.41Å; T95-Y193 HydrophobicContact CG2-CE2 3.42Å; T95-Y193 VanDerWaalsContact CG2-CE2 3.42Å; T95-Y193 WeakPolarHBondContact CG2-OH 3.5Å; T95-Y193 WeakPolarHBondContact OG1-CE2 3.4Å; T95-Y193 PolarHBondContact OG1-OH 3.32Å; T95-Y193 VanDerWaalsContact OG1-OH 3.09Å; Y193-F778 VanDerWaalsContact CB-CD1 3.44Å; Y193-F778 HydrophobicContact CG-CD1 4.33Å; Y193-F778 WeakPolarHBondContact O-CE1 3.49Å; Y193-F778 WeakPolarHBondContact O-CE2 3.26Å; Y193-F778 WeakPolarHBondContact O-CZ 3.33Å
194	R	30.2	Very low	36	Very low	103 Å²	103	56.4 Å²	56.4	39%	0.389	29%	0.292	S	S	.	.			trans	-129	107.8	154.9	-82.3	-179.1	173.8	-179.8	-6.4	106	H75 E205	H75-R194 PolarHBondContact CE1-NH1 2.81Å; R194-E205 IonicContact CZ-OE1 3.54Å; R194-E205 IonicContact NH1-OE1 2.69Å; R194-E205 PolarHBondContact NH1-OE1 2.78Å; R194-E205 IonicContact NH2-OE1 2.93Å; R194-E205 PolarHBondContact NH2-OE1 2.94Å
195	T	26.1	Very low	38.1	Very low	5 Å²	5	53.3 Å²	53.3	3%	0.031	28%	0.281	C	S	.	.			trans	-179.4	131.5	154.3	24.2	0	0	0	0	108	F78 L79 N88 L91 T783	F78-T195 HydrophobicContact CB-CG2 3.76Å; L79-T195 HydrophobicContact CB-CG2 4.43Å; L79-T195 HydrophobicContact CD2-CG2 3.14Å; L79-T195 HydrophobicContact CG-CG2 3.56Å; N88-T195 PolarHBondContact ND2-O 2.68Å; N88-T195 WeakPolarHBondContact OD1-CB 3.47Å; N88-T195 PolarHBondContact OD1-O 2.85Å; N88-T195 PolarHBondContact OD1-OG1 2.83Å; L91-T195 VanDerWaalsContact CD2-OG1 3.26Å; L91-T195 WeakPolarHBondContact CD2-OG1 3.36Å; T195-T783 PolarHBondContact O-OG1 2.89Å
196	F	26.4	Very low	40.8	Very low	60 Å²	60	49.3 Å²	49.3	26%	0.263	26%	0.262	S	S	.	.	S	Bend	trans	69.9	85.3	-169.6	-71.6	-91.4	0	0	0	117	E87 N88 R144 T783	E87-F196 HydrophobicContact CB-CD2 4.03Å; E87-F196 HydrophobicContact CB-CE2 3.28Å; E87-F196 HydrophobicContact CB-CZ 3.95Å; E87-F196 HydrophobicContact CG-CD2 4.36Å; E87-F196 HydrophobicContact CG-CE2 3.29Å; E87-F196 HydrophobicContact CG-CZ 3.37Å; E87-F196 VanDerWaalsContact OE1-CZ 3.31Å; E87-F196 WeakPolarHBondContact OE1-CZ 3.04Å; E87-F196 WeakPolarHBondContact OE2-CD2 3.32Å; E87-F196 WeakPolarHBondContact OE2-CE1 3.39Å; E87-F196 WeakPolarHBondContact OE2-CE2 3.39Å; E87-F196 WeakPolarHBondContact OE2-CZ 3.09Å; N88-F196 VanDerWaalsContact OD1-CD2 3.28Å; N88-F196 WeakPolarHBondContact OD1-CD2 3.34Å; R144-F196 VanDerWaalsContact NH1-CE1 3.33Å; F196-T783 HydrophobicContact CB-CG2 3.39Å; F196-T783 HydrophobicContact CG-CG2 4.39Å; F196-T783 WeakPolarHBondContact O-CA 3.32Å; F196-T783 WeakPolarHBondContact O-CB 3.47Å; F196-T783 WeakPolarHBondContact O-CG2 3.31Å; F196-T783 PolarHBondContact O-OG1 3.23Å
197	C	28.2	Very low	43.1	Very low	19 Å²	19	46.7 Å²	46.7	13%	0.128	25%	0.246	C	C	.	.				158.8	128	115.9	-93.9	0	0	0	0	112.5	T783 Q786	C197-T783 WeakPolarHBondContact CB-O 2.91Å; C197-T783 PolarHBondContact SG-O 3.2Å; C197-Q786 HydrophobicContact CB-CB 4.05Å; C197-Q786 HydrophobicContact CB-CG 3.54Å; C197-Q786 PolarHBondContact SG-NE2 3.4Å
198	E	34.8	Very low	45.4	Very low	10 Å²	10	46.1 Å²	46.1	5%	0.047	24%	0.241	C	C	.	.			trans	-126.6	96.1	-139.1	-69.6	-157.5	-100.2	0	0	110.5	R144 E145 S200 A201	R144-E198 WeakPolarHBondContact O-CB 3.33Å; R144-E198 VanDerWaalsContact O-CD 3.3Å; E145-E198 WeakPolarHBondContact CA-OE1 3.43Å; E145-E198 WeakPolarHBondContact CA-OE2 3.35Å; E145-E198 VanDerWaalsContact CB-OE1 3.3Å; E145-E198 WeakPolarHBondContact CB-OE1 3.36Å; E145-E198 VanDerWaalsContact CG-CD 3.48Å; E145-E198 WeakPolarHBondContact CG-OE1 3.42Å; E145-E198 PolarHBondContact N-OE1 3.09Å; E198-S200 PolarHBondContact O-N 2.85Å; E198-S200 VanDerWaalsContact OE2-CA 3.28Å; E198-S200 WeakPolarHBondContact OE2-CA 3.49Å; E198-A201 PolarHBondContact OE2-N 2.82Å
199	V	38.8	Very low	47.9	Very low	20 Å²	20	38 Å²	38	12%	0.121	21%	0.207	C	C	.	.	S	Bend		-58.1	103.8	111.6	-172.5	0	0	0	0	104.7	A201 Q203 L789	V199-A201 PolarHBondContact O-N 2.82Å; V199-Q203 HydrophobicContact CG1-CB 4.45Å; V199-Q203 HydrophobicContact CG1-CG 4.29Å; V199-L789 HydrophobicContact CB-CD2 4.26Å; V199-L789 HydrophobicContact CG1-CD2 3.75Å; V199-L789 HydrophobicContact CG2-CD2 4.45Å
200	S	56.5	Low	50.5	Low	7 Å²	7	35.4 Å²	35.4	5%	0.049	20%	0.195	C	C	.	.			trans	-26.9	116.4	-179.9	157.6	0	0	0	0	108.9	E145 E198 V202 Q203 S204	E145-S200 WeakPolarHBondContact O-CB 3.42Å; E145-S200 PolarHBondContact O-OG 3.26Å; E198-S200 PolarHBondContact O-N 2.85Å; E198-S200 VanDerWaalsContact OE2-CA 3.28Å; E198-S200 WeakPolarHBondContact OE2-CA 3.49Å; S200-V202 CarbonylContact O-C 3.52Å; S200-V202 PolarHBondContact O-N 3.49Å; S200-Q203 CarbonylContact O-C 3.53Å; S200-Q203 VanDerWaalsContact O-CA 3.29Å; S200-Q203 WeakPolarHBondContact O-CA 3.48Å; S200-Q203 VanDerWaalsContact O-CB 3.32Å; S200-Q203 WeakPolarHBondContact O-CB 3.24Å; S200-Q203 PolarHBondContact O-N 2.89Å; S200-Q203 PolarHBondContact OG-N 3.24Å; S200-S204 PolarHBondContact O-N 2.82Å
201	A	59.9	Low	52.9	Low	5 Å²	5	33 Å²	33	4%	0.041	18%	0.179	C	C	.	.	H	α-helix	trans	-52.8	-34.7	-171.1	0	0	0	0	0	110.4	H75 E198 V199 S204 E205	H75-A201 WeakPolarHBondContact ND1-CB 3.44Å; E198-A201 PolarHBondContact OE2-N 2.82Å; V199-A201 PolarHBondContact O-N 2.82Å; A201-S204 PolarHBondContact O-N 2.84Å; A201-E205 WeakPolarHBondContact O-CG 3.19Å; A201-E205 PolarHBondContact O-N 2.87Å
202	V	69.6	Low	55.6	Low	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.4	-46.7	169.5	179.5	0	0	0	0	113.6	F72 S200 E205 H206 S236 G237 L242	F72-V202 HydrophobicContact CD2-CG2 4.12Å; S200-V202 CarbonylContact O-C 3.52Å; S200-V202 PolarHBondContact O-N 3.49Å; V202-E205 PolarHBondContact O-N 3.09Å; V202-H206 WeakPolarHBondContact O-CB 3.32Å; V202-H206 PolarHBondContact O-N 2.77Å; V202-S236 VanDerWaalsContact CG1-O 3.23Å; V202-S236 WeakPolarHBondContact CG1-O 3.36Å; V202-G237 VanDerWaalsContact CG1-C 3.41Å; V202-G237 WeakPolarHBondContact CG1-O 3.05Å; V202-L242 HydrophobicContact CB-CD1 4.28Å; V202-L242 HydrophobicContact CG1-CD1 3.75Å; V202-L242 HydrophobicContact CG2-CD1 4.34Å
203	Q	73.6	Confident	58.5	Low	35 Å²	35	30.6 Å²	30.6	16%	0.164	15%	0.147	C	C	.	.	H	α-helix	trans	-61.6	-43.9	173.4	-179.9	62.9	28.1	0	0	112.5	V199 S200 E205 H206 E207 R239	V199-Q203 HydrophobicContact CG1-CB 4.45Å; V199-Q203 HydrophobicContact CG1-CG 4.29Å; S200-Q203 CarbonylContact O-C 3.53Å; S200-Q203 VanDerWaalsContact O-CA 3.29Å; S200-Q203 WeakPolarHBondContact O-CA 3.48Å; S200-Q203 VanDerWaalsContact O-CB 3.32Å; S200-Q203 WeakPolarHBondContact O-CB 3.24Å; S200-Q203 PolarHBondContact O-N 2.89Å; S200-Q203 PolarHBondContact OG-N 3.24Å; Q203-E205 VanDerWaalsContact C-N 3.31Å; Q203-E205 PolarHBondContact O-N 2.88Å; Q203-H206 PolarHBondContact O-N 2.83Å; Q203-E207 PolarHBondContact NE2-OE1 2.85Å; Q203-E207 WeakPolarHBondContact O-CG 3.28Å; Q203-E207 PolarHBondContact O-N 2.85Å; Q203-R239 HydrophobicContact CG-CB 4.49Å
204	S	64.7	Low	61.3	Low	14 Å²	14	33.8 Å²	33.8	10%	0.098	17%	0.169	C	C	.	.	H	α-helix	trans	-59.8	-44.4	177.8	174.5	0	0	0	0	111.1	S200 A201 E207 K208 L789	S200-S204 PolarHBondContact O-N 2.82Å; A201-S204 PolarHBondContact O-N 2.84Å; S204-E207 PolarHBondContact O-N 2.96Å; S204-K208 WeakPolarHBondContact O-CB 3.06Å; S204-K208 PolarHBondContact O-N 2.93Å; S204-L789 VanDerWaalsContact CB-CD2 3.42Å; S204-L789 WeakPolarHBondContact OG-CD2 3.44Å
205	E	68.7	Low	64.1	Low	45 Å²	45	33.6 Å²	33.6	21%	0.21	17%	0.168	C	C	.	.	H	α-helix	trans	-64.7	-41.8	173.7	-75.1	-166.5	173.6	0	0	112.9	H71 R194 A201 V202 Q203 E207 K208 D209	H71-E205 IonicContact CE1-OE2 3.76Å; H71-E205 PolarHBondContact CE1-OE2 3.04Å; H71-E205 IonicContact NE2-OE2 3.54Å; H71-E205 PolarHBondContact NE2-OE2 3.45Å; H71-E205 VanDerWaalsContact NE2-OE2 3.14Å; R194-E205 IonicContact CZ-OE1 3.54Å; R194-E205 IonicContact NH1-OE1 2.69Å; R194-E205 PolarHBondContact NH1-OE1 2.78Å; R194-E205 IonicContact NH2-OE1 2.93Å; R194-E205 PolarHBondContact NH2-OE1 2.94Å; A201-E205 WeakPolarHBondContact O-CG 3.19Å; A201-E205 PolarHBondContact O-N 2.87Å; V202-E205 PolarHBondContact O-N 3.09Å; Q203-E205 VanDerWaalsContact C-N 3.31Å; Q203-E205 PolarHBondContact O-N 2.88Å; E205-E207 VanDerWaalsContact C-N 3.34Å; E205-E207 PolarHBondContact O-N 2.92Å; E205-K208 WeakPolarHBondContact O-CB 3.35Å; E205-K208 PolarHBondContact O-N 3.19Å; E205-D209 WeakPolarHBondContact O-CB 3.31Å; E205-D209 PolarHBondContact O-N 3.2Å
206	H	81	Confident	67.3	Low	11 Å²	11	34.1 Å²	34.1	5%	0.051	17%	0.17	C	C	.	.	H	α-helix	trans	-62.2	-39.7	174.9	173.8	60.5	0	0	0	112.3	V202 Q203 D209 S210 F234 N238 W484 Y485	V202-H206 WeakPolarHBondContact O-CB 3.32Å; V202-H206 PolarHBondContact O-N 2.77Å; Q203-H206 PolarHBondContact O-N 2.83Å; H206-D209 PolarHBondContact O-N 2.93Å; H206-S210 VanDerWaalsContact O-CB 3.28Å; H206-S210 WeakPolarHBondContact O-CB 3.44Å; H206-S210 PolarHBondContact O-N 3.3Å; H206-S210 PolarHBondContact O-OG 3.35Å; H206-F234 AromaticContact CE1-CZ 3.73Å; H206-F234 AromaticContact ND1-CZ 3.42Å; H206-F234 WeakPolarHBondContact ND1-CZ 3.47Å; H206-N238 HydrophobicContact CB-CB 3.94Å; H206-N238 VanDerWaalsContact CD2-CB 3.41Å; H206-N238 WeakPolarHBondContact CD2-CB 3.22Å; H206-N238 PolarHBondContact NE2-ND2 3.14Å; H206-N238 VanDerWaalsContact NE2-ND2 3.15Å; H206-W484 PolarHBondContact CE1-O 3.16Å; H206-Y485 AromaticContact CE1-CD1 3.66Å; H206-Y485 AromaticContact CE1-CE1 3.36Å; H206-Y485 WeakPolarHBondContact CE1-CE1 3.22Å; H206-Y485 AromaticContact ND1-CE1 3.27Å; H206-Y485 VanDerWaalsContact ND1-CE1 3.27Å; H206-Y485 WeakPolarHBondContact ND1-CE1 2.97Å; H206-Y485 AromaticContact ND1-CZ 3.72Å
207	E	73	Confident	70.5	Confident	63 Å²	63	32.3 Å²	32.3	29%	0.294	16%	0.163	S	C	.	.	H	α-helix	trans	-65.8	-41.1	175.5	-75.2	173.3	-169.3	0	0	111.3	Q203 S204 E205 S210 S211	Q203-E207 PolarHBondContact NE2-OE1 2.85Å; Q203-E207 WeakPolarHBondContact O-CG 3.28Å; Q203-E207 PolarHBondContact O-N 2.85Å; S204-E207 PolarHBondContact O-N 2.96Å; E205-E207 VanDerWaalsContact C-N 3.34Å; E205-E207 PolarHBondContact O-N 2.92Å; E207-S210 WeakPolarHBondContact O-CB 2.95Å; E207-S211 PolarHBondContact O-N 3.42Å
208	K	69.6	Low	73.5	Confident	137 Å²	137	33.2 Å²	33.2	60%	0.596	16%	0.164	S	C	*	.	H	α-helix	trans	-62.1	-43.4	172.7	-179.5	-174.9	172.5	-176	0	111.8	S204 E205 S211	S204-K208 WeakPolarHBondContact O-CB 3.06Å; S204-K208 PolarHBondContact O-N 2.93Å; E205-K208 WeakPolarHBondContact O-CB 3.35Å; E205-K208 PolarHBondContact O-N 3.19Å; K208-S211 CarbonylContact O-C 3.36Å; K208-S211 WeakPolarHBondContact O-CA 3.33Å; K208-S211 VanDerWaalsContact O-CB 3.24Å; K208-S211 WeakPolarHBondContact O-CB 3.44Å; K208-S211 PolarHBondContact O-N 2.81Å; K208-S211 VanDerWaalsContact O-N 3.08Å; K208-S211 PolarHBondContact O-OG 2.89Å
209	D	77	Confident	76.3	Confident	22 Å²	22	32.7 Å²	32.7	12%	0.118	16%	0.162	C	C	.	.	H	α-helix	trans	-78	-27.7	-178.7	-85.3	0.8	0	0	0	112.9	E205 H206 S211 N212 R215 Y485	E205-D209 WeakPolarHBondContact O-CB 3.31Å; E205-D209 PolarHBondContact O-N 3.2Å; H206-D209 PolarHBondContact O-N 2.93Å; D209-S211 PolarHBondContact O-N 2.93Å; D209-S211 VanDerWaalsContact O-N 3.09Å; D209-N212 PolarHBondContact O-N 3.06Å; D209-R215 HydrophobicContact CB-CB 4.27Å; D209-R215 HydrophobicContact CB-CG 4.01Å; D209-R215 IonicContact OD1-NE 2.72Å; D209-R215 IonicContact OD2-CZ 3.86Å; D209-R215 IonicContact OD2-NE 3.94Å; D209-R215 PolarHBondContact OD2-NE 3.03Å; D209-R215 IonicContact OD2-NH2 3.45Å; D209-Y485 HydrophobicContact CB-CE1 4.3Å
210	S	79	Confident	79	Confident	26 Å²	26	31.8 Å²	31.8	18%	0.182	16%	0.156	C	C	.	.	H	α-helix	trans	-55.3	-27.3	164.8	-62.9	0	0	0	0	110.3	F166 Q167 H206 E207 R216 Y485	F166-S210 CarbonylContact O-C 3.59Å; Q167-S210 WeakPolarHBondContact CG-O 3.24Å; H206-S210 VanDerWaalsContact O-CB 3.28Å; H206-S210 WeakPolarHBondContact O-CB 3.44Å; H206-S210 PolarHBondContact O-N 3.3Å; H206-S210 PolarHBondContact O-OG 3.35Å; E207-S210 WeakPolarHBondContact O-CB 2.95Å; S210-R216 WeakPolarHBondContact O-CD 3.48Å; S210-Y485 VanDerWaalsContact CA-CE1 3.42Å; S210-Y485 VanDerWaalsContact N-CE1 3.28Å; S210-Y485 VanDerWaalsContact OG-CD1 3.25Å; S210-Y485 WeakPolarHBondContact OG-CD1 2.91Å; S210-Y485 WeakPolarHBondContact OG-CE1 3.48Å
211	S	73.5	Confident	80.7	Confident	11 Å²	11	32 Å²	32	8%	0.077	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	22.7	172.9	103	0	0	0	0	116.9	F166 Q167 Y168 C169 E207 K208 D209	F166-S211 WeakPolarHBondContact O-CA 3.32Å; F166-S211 WeakPolarHBondContact O-CB 3.46Å; F166-S211 PolarHBondContact O-N 3.33Å; F166-S211 VanDerWaalsContact O-N 3.14Å; Q167-S211 CarbonylContact C-O 3.02Å; Q167-S211 WeakPolarHBondContact CA-O 3.18Å; Q167-S211 WeakPolarHBondContact CB-O 3.4Å; Q167-S211 VanDerWaalsContact CG-CA 3.49Å; Q167-S211 WeakPolarHBondContact CG-O 3.36Å; Y168-S211 CarbonylContact C-O 3.57Å; Y168-S211 WeakPolarHBondContact CA-O 3.36Å; Y168-S211 PolarHBondContact N-O 2.9Å; Y168-S211 VanDerWaalsContact N-O 3.14Å; C169-S211 PolarHBondContact N-O 3.14Å; E207-S211 PolarHBondContact O-N 3.42Å; K208-S211 CarbonylContact O-C 3.36Å; K208-S211 WeakPolarHBondContact O-CA 3.33Å; K208-S211 VanDerWaalsContact O-CB 3.24Å; K208-S211 WeakPolarHBondContact O-CB 3.44Å; K208-S211 PolarHBondContact O-N 2.81Å; K208-S211 VanDerWaalsContact O-N 3.08Å; K208-S211 PolarHBondContact O-OG 2.89Å; D209-S211 PolarHBondContact O-N 2.93Å; D209-S211 VanDerWaalsContact O-N 3.09Å
212	N	80.2	Confident	82.3	Confident	18 Å²	18	31.7 Å²	31.7	10%	0.096	16%	0.155	C	C	.	.			trans	-130.6	124.1	173.4	-171.2	-29.9	0	0	0	114.3	Q167 C169 D209 T214 R215 R216	Q167-N212 PolarHBondContact NE2-O 3.47Å; C169-N212 PolarHBondContact O-ND2 3.11Å; D209-N212 PolarHBondContact O-N 3.06Å; N212-T214 VanDerWaalsContact C-N 3.31Å; N212-T214 PolarHBondContact O-N 2.97Å; N212-T214 WeakPolarHBondContact OD1-CB 3.08Å; N212-T214 PolarHBondContact OD1-N 3.01Å; N212-R215 HydrophobicContact CB-CB 3.93Å; N212-R215 HydrophobicContact CB-CG 3.76Å; N212-R215 PolarHBondContact O-N 3.46Å; N212-R216 WeakPolarHBondContact O-CB 3.31Å; N212-R216 WeakPolarHBondContact O-CG 3.4Å; N212-R216 PolarHBondContact O-N 3.13Å
213	D	88.1	Confident	83.4	Confident	11 Å²	11	34.2 Å²	34.2	6%	0.059	17%	0.168	C	C	.	.	H	α-helix	trans	-59.8	-39	177.3	-99.1	-20.6	0	0	0	113.8	Q167 Y168 R215 R216 L217 P322 I326	Q167-D213 PolarHBondContact NE2-OD1 3.06Å; Q167-D213 PolarHBondContact OE1-OD1 2.84Å; Y168-D213 HydrophobicContact CE1-CB 3.75Å; Y168-D213 VanDerWaalsContact CE1-CG 3.46Å; Y168-D213 WeakPolarHBondContact CE1-OD2 3.15Å; Y168-D213 PolarHBondContact OH-OD1 2.86Å; Y168-D213 PolarHBondContact OH-OD2 2.88Å; D213-R215 VanDerWaalsContact C-N 3.29Å; D213-R215 PolarHBondContact O-N 3.18Å; D213-R216 PolarHBondContact O-N 3.44Å; D213-L217 VanDerWaalsContact O-CB 3.23Å; D213-L217 WeakPolarHBondContact O-CB 3.26Å; D213-L217 PolarHBondContact O-N 3.25Å; D213-P322 WeakPolarHBondContact OD1-CA 3.39Å; D213-P322 WeakPolarHBondContact OD2-CB 3.48Å; D213-I326 HydrophobicContact CB-CD1 4.3Å; D213-I326 WeakPolarHBondContact OD2-CD1 3.45Å
214	T	89	Confident	84.4	Confident	88 Å²	88	34.3 Å²	34.3	54%	0.54	17%	0.17	S	C	.	.	H	α-helix	trans	-63.2	-41.5	177.6	-51.4	0	0	0	0	110.2	N212 F218	N212-T214 VanDerWaalsContact C-N 3.31Å; N212-T214 PolarHBondContact O-N 2.97Å; N212-T214 WeakPolarHBondContact OD1-CB 3.08Å; N212-T214 PolarHBondContact OD1-N 3.01Å; T214-F218 WeakPolarHBondContact O-CB 2.76Å; T214-F218 PolarHBondContact O-N 3.35Å
215	R	88.8	Confident	85.8	Confident	98 Å²	98	34 Å²	34	37%	0.37	17%	0.168	S	C	.	.	H	α-helix	trans	-68.2	-43.7	177.3	-68.1	-64.3	-160.7	-161.2	0.6	112.5	D209 N212 D213 F218 Q219	D209-R215 HydrophobicContact CB-CB 4.27Å; D209-R215 HydrophobicContact CB-CG 4.01Å; D209-R215 IonicContact OD1-NE 2.72Å; D209-R215 IonicContact OD2-CZ 3.86Å; D209-R215 IonicContact OD2-NE 3.94Å; D209-R215 PolarHBondContact OD2-NE 3.03Å; D209-R215 IonicContact OD2-NH2 3.45Å; N212-R215 HydrophobicContact CB-CB 3.93Å; N212-R215 HydrophobicContact CB-CG 3.76Å; N212-R215 PolarHBondContact O-N 3.46Å; D213-R215 VanDerWaalsContact C-N 3.29Å; D213-R215 PolarHBondContact O-N 3.18Å; R215-F218 PolarHBondContact O-N 3.49Å; R215-Q219 PolarHBondContact O-N 3.43Å
216	R	93	Very high	87	Confident	17 Å²	17	35.8 Å²	35.8	6%	0.064	18%	0.175	C	C	.	.	H	α-helix	trans	-64	-43.7	178.2	-73.7	-165.4	8.7	135.6	-5.6	112.4	Q167 S210 N212 D213 Q219 L220 Y485 Y486 T487	Q167-R216 VanDerWaalsContact CD-NE 3.27Å; Q167-R216 VanDerWaalsContact NE2-CB 3.3Å; S210-R216 WeakPolarHBondContact O-CD 3.48Å; N212-R216 WeakPolarHBondContact O-CB 3.31Å; N212-R216 WeakPolarHBondContact O-CG 3.4Å; N212-R216 PolarHBondContact O-N 3.13Å; D213-R216 PolarHBondContact O-N 3.44Å; R216-Q219 PolarHBondContact O-N 3.02Å; R216-L220 WeakPolarHBondContact O-CB 2.8Å; R216-L220 PolarHBondContact O-N 3.39Å; R216-Y485 HydrophobicContact CG-CD1 4.37Å; R216-Y485 HydrophobicContact CG-CD2 4.39Å; R216-Y485 HydrophobicContact CG-CG 3.91Å; R216-Y485 PolarHBondContact NH1-O 3.22Å; R216-Y486 PolarHBondContact NH1-O 3.24Å; R216-T487 HydrophobicContact CB-CG2 4.42Å; R216-T487 WeakPolarHBondContact CB-OG1 3.38Å; R216-T487 PolarHBondContact NE-OG1 3.08Å
217	L	93.4	Very high	87.4	Confident	22 Å²	22	38.5 Å²	38.5	12%	0.115	21%	0.205	C	C	.	.	H	α-helix	trans	-63.8	-43.9	174.2	-177	64.3	0	0	0	111.5	D213 Q219 L220 E221 V320 N330 F468 L470	D213-L217 VanDerWaalsContact O-CB 3.23Å; D213-L217 WeakPolarHBondContact O-CB 3.26Å; D213-L217 PolarHBondContact O-N 3.25Å; L217-Q219 PolarHBondContact O-N 2.97Å; L217-L220 PolarHBondContact O-N 2.91Å; L217-E221 WeakPolarHBondContact O-CB 3.05Å; L217-E221 PolarHBondContact O-N 3.39Å; L217-V320 HydrophobicContact CD1-CG2 4.26Å; L217-N330 WeakPolarHBondContact CD2-ND2 3.39Å; L217-F468 HydrophobicContact CD1-CB 4.16Å; L217-F468 HydrophobicContact CD1-CD1 3.74Å; L217-F468 HydrophobicContact CD1-CE1 4.45Å; L217-F468 HydrophobicContact CD1-CG 4.15Å; L217-L470 HydrophobicContact CD1-CD1 4.09Å; L217-L470 HydrophobicContact CD2-CD1 3.98Å; L217-L470 HydrophobicContact CD2-CD2 4.15Å
218	F	91.4	Very high	88.2	Confident	37 Å²	37	38 Å²	38	16%	0.162	22%	0.217	C	C	.	.	H	α-helix	trans	-60.5	-44.9	178.1	-178.3	-113.1	0	0	0	112	T214 R215 E221 R222 F235	T214-F218 WeakPolarHBondContact O-CB 2.76Å; T214-F218 PolarHBondContact O-N 3.35Å; R215-F218 PolarHBondContact O-N 3.49Å; F218-E221 PolarHBondContact O-N 2.73Å; F218-R222 VanDerWaalsContact O-CG 3.3Å; F218-R222 WeakPolarHBondContact O-CG 3.42Å; F218-R222 PolarHBondContact O-N 2.88Å; F218-F235 AromaticContact CD1-CE1 3.73Å; F218-F235 HydrophobicContact CD1-CE1 3.73Å; F218-F235 HydrophobicContact CD1-CZ 4.16Å; F218-F235 HydrophobicContact CE1-CD1 4.21Å; F218-F235 AromaticContact CE1-CE1 3.75Å; F218-F235 HydrophobicContact CE1-CE1 3.75Å; F218-F235 HydrophobicContact CE1-CZ 4.22Å
219	Q	93.4	Very high	89.3	Confident	0 Å²	0	32 Å²	32	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-68.1	-36.5	176.6	-170	59.5	46.2	0	0	112.4	R215 R216 L217 R222 N223 W484 Y485	R215-Q219 PolarHBondContact O-N 3.43Å; R216-Q219 PolarHBondContact O-N 3.02Å; L217-Q219 PolarHBondContact O-N 2.97Å; Q219-R222 WeakPolarHBondContact O-CB 3.39Å; Q219-R222 PolarHBondContact O-N 2.96Å; Q219-N223 WeakPolarHBondContact O-CB 3.31Å; Q219-N223 PolarHBondContact O-N 3.43Å; Q219-W484 HydrophobicContact CG-CB 4.35Å; Q219-Y485 HydrophobicContact CB-CD2 3.55Å; Q219-Y485 HydrophobicContact CB-CE2 3.64Å; Q219-Y485 HydrophobicContact CG-CD2 3.7Å; Q219-Y485 HydrophobicContact CG-CE2 3.81Å
220	L	95.2	Very high	90	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.2	-44.6	174	174.8	62.2	0	0	0	112.1	R216 L217 R222 N223 L224 V318 V320 E482 T487 Y489	R216-L220 WeakPolarHBondContact O-CB 2.8Å; R216-L220 PolarHBondContact O-N 3.39Å; L217-L220 PolarHBondContact O-N 2.91Å; L220-R222 VanDerWaalsContact C-N 3.27Å; L220-R222 PolarHBondContact O-N 3.4Å; L220-N223 PolarHBondContact O-N 2.78Å; L220-L224 HydrophobicContact CD1-CD1 3.8Å; L220-L224 HydrophobicContact CD1-CG 3.93Å; L220-L224 HydrophobicContact CG-CD1 4.04Å; L220-L224 HydrophobicContact CG-CG 4.5Å; L220-L224 WeakPolarHBondContact O-CG 3.44Å; L220-L224 PolarHBondContact O-N 3.14Å; L220-V318 HydrophobicContact CD2-CG1 4.32Å; L220-V320 HydrophobicContact CD2-CB 4.43Å; L220-V320 HydrophobicContact CD2-CG1 4.01Å; L220-V320 HydrophobicContact CD2-CG2 3.54Å; L220-E482 HydrophobicContact CB-CG 4.31Å; L220-E482 HydrophobicContact CD1-CB 4.1Å; L220-E482 HydrophobicContact CD1-CG 4.27Å; L220-T487 HydrophobicContact CD2-CG2 4.2Å; L220-Y489 HydrophobicContact CD1-CD1 3.37Å; L220-Y489 HydrophobicContact CD1-CD2 4.27Å; L220-Y489 HydrophobicContact CD1-CE1 3.61Å; L220-Y489 HydrophobicContact CD1-CG 3.74Å; L220-Y489 HydrophobicContact CD2-CD1 4.31Å; L220-Y489 HydrophobicContact CD2-CG 4.11Å
221	E	93.4	Very high	90.6	Very high	11 Å²	11	31.8 Å²	31.8	5%	0.051	19%	0.188	C	C	.	.	H	α-helix	trans	-56.6	-44.4	177.7	-170.5	-134	117.8	0	0	111.3	L217 F218 L224 S225 Y231 M332 Y388 R466 F468	L217-E221 WeakPolarHBondContact O-CB 3.05Å; L217-E221 PolarHBondContact O-N 3.39Å; F218-E221 PolarHBondContact O-N 2.73Å; E221-L224 PolarHBondContact O-N 3.24Å; E221-S225 PolarHBondContact O-OG 3.34Å; E221-Y231 PolarHBondContact OE1-OH 3.3Å; E221-M332 HydrophobicContact CG-SD 3.99Å; E221-Y388 PolarHBondContact OE2-OH 2.87Å; E221-R466 PolarHBondContact O-NH1 2.8Å; E221-R466 PolarHBondContact O-NH2 3.33Å; E221-F468 HydrophobicContact CB-CE1 4.39Å; E221-F468 HydrophobicContact CB-CZ 4.03Å; E221-F468 HydrophobicContact CG-CE2 4.09Å; E221-F468 HydrophobicContact CG-CZ 3.75Å
222	R	92.7	Very high	91.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.1	-48.4	174.2	-68.9	176.7	71.5	159.4	8.1	112	F218 Q219 L220 L224 S225 Y231 K233	F218-R222 VanDerWaalsContact O-CG 3.3Å; F218-R222 WeakPolarHBondContact O-CG 3.42Å; F218-R222 PolarHBondContact O-N 2.88Å; Q219-R222 WeakPolarHBondContact O-CB 3.39Å; Q219-R222 PolarHBondContact O-N 2.96Å; L220-R222 VanDerWaalsContact C-N 3.27Å; L220-R222 PolarHBondContact O-N 3.4Å; R222-L224 PolarHBondContact O-N 3.3Å; R222-S225 VanDerWaalsContact O-CB 3.23Å; R222-S225 WeakPolarHBondContact O-CB 3.09Å; R222-S225 PolarHBondContact O-N 3.14Å; R222-S225 PolarHBondContact O-OG 3.48Å; R222-Y231 HydrophobicContact CB-CE1 4.33Å; R222-Y231 HydrophobicContact CG-CD1 4.19Å; R222-Y231 HydrophobicContact CG-CD2 4.49Å; R222-Y231 HydrophobicContact CG-CE1 3.69Å; R222-Y231 HydrophobicContact CG-CE2 3.99Å; R222-Y231 VanDerWaalsContact CZ-O 3.31Å; R222-Y231 PolarHBondContact NE-O 3.36Å; R222-Y231 PolarHBondContact NH2-O 3.49Å; R222-Y231 VanDerWaalsContact NH2-O 3.08Å; R222-K233 PolarHBondContact NE-O 3.41Å; R222-K233 PolarHBondContact NH2-O 3.35Å
223	N	93.4	Very high	91.9	Very high	53 Å²	53	33.2 Å²	33.2	28%	0.283	20%	0.195	S	C	.	.	H	α-helix	trans	-60.8	-33.8	-180	-172.3	62	0	0	0	112.6	Q219 L220 S225 E482	Q219-N223 WeakPolarHBondContact O-CB 3.31Å; Q219-N223 PolarHBondContact O-N 3.43Å; L220-N223 PolarHBondContact O-N 2.78Å; N223-S225 VanDerWaalsContact C-N 3.27Å; N223-S225 PolarHBondContact O-N 3.38Å; N223-E482 HydrophobicContact CB-CG 4.08Å
224	L	94.6	Very high	92	Very high	37 Å²	37	32.8 Å²	32.8	19%	0.194	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	6.7	177.5	-67.6	178.1	0	0	0	114.4	L220 E221 R222 V318 R466 F468 Y489	L220-L224 HydrophobicContact CD1-CD1 3.8Å; L220-L224 HydrophobicContact CD1-CG 3.93Å; L220-L224 HydrophobicContact CG-CD1 4.04Å; L220-L224 HydrophobicContact CG-CG 4.5Å; L220-L224 WeakPolarHBondContact O-CG 3.44Å; L220-L224 PolarHBondContact O-N 3.14Å; E221-L224 PolarHBondContact O-N 3.24Å; R222-L224 PolarHBondContact O-N 3.3Å; L224-V318 HydrophobicContact CD1-CB 4.48Å; L224-V318 HydrophobicContact CD1-CG1 3.74Å; L224-V318 HydrophobicContact CD1-CG2 3.89Å; L224-R466 PolarHBondContact O-NH2 3.13Å; L224-F468 HydrophobicContact CD1-CE1 4.24Å; L224-Y489 HydrophobicContact CD1-CD2 4.41Å; L224-Y489 HydrophobicContact CD1-CE2 4.36Å; L224-Y489 HydrophobicContact CD2-CE2 3.8Å
225	S	93.8	Very high	91.8	Very high	8 Å²	8	29.6 Å²	29.6	6%	0.056	17%	0.171	C	C	.	.	S	Bend	trans	-86.7	-179.9	175.4	-57.5	0	0	0	0	111.4	E221 R222 N223 G227 P308 W309	E221-S225 PolarHBondContact O-OG 3.34Å; R222-S225 VanDerWaalsContact O-CB 3.23Å; R222-S225 WeakPolarHBondContact O-CB 3.09Å; R222-S225 PolarHBondContact O-N 3.14Å; R222-S225 PolarHBondContact O-OG 3.48Å; N223-S225 VanDerWaalsContact C-N 3.27Å; N223-S225 PolarHBondContact O-N 3.38Å; S225-G227 PolarHBondContact O-N 3.46Å; S225-P308 WeakPolarHBondContact CB-O 3.43Å; S225-W309 PolarHBondContact OG-NE1 3.09Å
226	K	93.4	Very high	91.5	Very high	82 Å²	82	25.2 Å²	25.2	36%	0.357	16%	0.155	S	C	.	.			trans	-54	113.4	-178.6	-178.4	-176.3	169.6	-166.2	0	111.6	G228 H229 T232 D306 P308 P310	K226-G228 PolarHBondContact O-N 3.06Å; K226-H229 HydrophobicContact CB-CB 4.36Å; K226-H229 VanDerWaalsContact O-CB 3.29Å; K226-H229 WeakPolarHBondContact O-CB 3.38Å; K226-H229 PolarHBondContact O-N 3.07Å; K226-H229 VanDerWaalsContact O-N 3.13Å; K226-T232 WeakPolarHBondContact O-CG2 3.08Å; K226-D306 IonicContact NZ-OD2 2.65Å; K226-D306 PolarHBondContact NZ-OD2 3.02Å; K226-P308 VanDerWaalsContact CB-O 3.3Å; K226-P308 WeakPolarHBondContact CB-O 3.11Å; K226-P308 PolarHBondContact N-O 2.83Å; K226-P310 HydrophobicContact CB-CG 3.98Å; K226-P310 HydrophobicContact CD-CG 4.14Å; K226-P310 HydrophobicContact CG-CG 4.13Å
227	G	90.3	Very high	91.1	Very high	68 Å²	68	24.4 Å²	24.4	70%	0.701	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.4	131.9	177.3	0	0	0	0	0	112.1	S225 H229	S225-G227 PolarHBondContact O-N 3.46Å; G227-H229 VanDerWaalsContact C-N 3.35Å
228	G	88.9	Confident	90.6	Very high	52 Å²	52	24 Å²	24	54%	0.536	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.1	-11.7	179.9	0	0	0	0	0	115.7	K226	K226-G228 PolarHBondContact O-N 3.06Å
229	H	92.1	Very high	89.9	Confident	12 Å²	12	25.9 Å²	25.9	6%	0.056	16%	0.156	C	C	.	.	S	Bend	trans	-72.8	142	170	-169.3	-49.8	0	0	0	110.2	K226 G227 Y231 T232 W304 D306	K226-H229 HydrophobicContact CB-CB 4.36Å; K226-H229 VanDerWaalsContact O-CB 3.29Å; K226-H229 WeakPolarHBondContact O-CB 3.38Å; K226-H229 PolarHBondContact O-N 3.07Å; K226-H229 VanDerWaalsContact O-N 3.13Å; G227-H229 VanDerWaalsContact C-N 3.35Å; H229-Y231 PolarHBondContact ND1-N 2.94Å; H229-Y231 VanDerWaalsContact ND1-N 3.11Å; H229-Y231 PolarHBondContact O-N 3.49Å; H229-T232 WeakPolarHBondContact O-CB 3.43Å; H229-T232 PolarHBondContact O-N 3.14Å; H229-T232 PolarHBondContact O-OG1 3.01Å; H229-W304 AromaticContact CE1-CD1 3.65Å; H229-D306 IonicContact CD2-OD2 3.14Å; H229-D306 PolarHBondContact CD2-OD2 3.07Å; H229-D306 PolarHBondContact NE2-O 3.32Å; H229-D306 VanDerWaalsContact NE2-O 3.07Å; H229-D306 IonicContact NE2-OD1 3.04Å; H229-D306 IonicContact NE2-OD2 3.33Å
230	D	91.5	Very high	89.4	Confident	42 Å²	42	32.2 Å²	32.2	23%	0.225	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-59.1	-21.7	-178.5	-63.2	-36.6	0	0	0	114.6	L60 T232 K233 W304	L60-D230 HydrophobicContact CD2-CB 4.37Å; L60-D230 WeakPolarHBondContact CD2-O 3.46Å; D230-T232 PolarHBondContact O-N 3.46Å; D230-K233 HydrophobicContact CB-CD 4.22Å; D230-K233 VanDerWaalsContact CG-NZ 3.27Å; D230-K233 VanDerWaalsContact O-CB 3.32Å; D230-K233 WeakPolarHBondContact O-CB 3.1Å; D230-K233 VanDerWaalsContact O-CG 3.3Å; D230-K233 WeakPolarHBondContact O-CG 3.03Å; D230-K233 PolarHBondContact O-N 2.86Å; D230-K233 VanDerWaalsContact O-N 3.09Å; D230-K233 WeakPolarHBondContact OD1-CE 3.41Å; D230-K233 IonicContact OD1-NZ 3.95Å; D230-K233 PolarHBondContact OD1-NZ 2.97Å; D230-K233 IonicContact OD2-NZ 2.94Å; D230-W304 PolarHBondContact OD2-NE1 2.81Å
231	Y	91.5	Very high	88.9	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-61	-26.7	174.7	-169.8	-119.5	0	0	0	112	L60 E221 R222 H229 K233 P308 W309 Q382 I386	L60-Y231 HydrophobicContact CD2-CD2 4.44Å; E221-Y231 PolarHBondContact OE1-OH 3.3Å; R222-Y231 HydrophobicContact CB-CE1 4.33Å; R222-Y231 HydrophobicContact CG-CD1 4.19Å; R222-Y231 HydrophobicContact CG-CD2 4.49Å; R222-Y231 HydrophobicContact CG-CE1 3.69Å; R222-Y231 HydrophobicContact CG-CE2 3.99Å; R222-Y231 VanDerWaalsContact CZ-O 3.31Å; R222-Y231 PolarHBondContact NE-O 3.36Å; R222-Y231 PolarHBondContact NH2-O 3.49Å; R222-Y231 VanDerWaalsContact NH2-O 3.08Å; H229-Y231 PolarHBondContact ND1-N 2.94Å; H229-Y231 VanDerWaalsContact ND1-N 3.11Å; H229-Y231 PolarHBondContact O-N 3.49Å; Y231-K233 VanDerWaalsContact C-N 3.26Å; Y231-K233 PolarHBondContact O-N 3.4Å; Y231-P308 HydrophobicContact CD1-CB 3.79Å; Y231-P308 HydrophobicContact CD1-CG 3.96Å; Y231-P308 HydrophobicContact CG-CB 4.05Å; Y231-P308 HydrophobicContact CG-CG 4.15Å; Y231-W309 HydrophobicContact CD1-CZ2 4.2Å; Y231-W309 HydrophobicContact CE1-CH2 4.49Å; Y231-W309 AromaticContact CE1-CZ2 3.57Å; Y231-W309 HydrophobicContact CE1-CZ2 3.57Å; Y231-Q382 HydrophobicContact CE2-CB 4.29Å; Y231-Q382 HydrophobicContact CE2-CG 3.77Å; Y231-I386 HydrophobicContact CD2-CD1 4.17Å; Y231-I386 HydrophobicContact CD2-CG2 3.78Å; Y231-I386 HydrophobicContact CE2-CG2 3.84Å; Y231-I386 HydrophobicContact CG-CG2 4.26Å
232	T	92.1	Very high	88.3	Confident	33 Å²	33	31.8 Å²	31.8	20%	0.202	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-73.9	-12.5	178	64.1	0	0	0	0	114	K226 H229 D230	K226-T232 WeakPolarHBondContact O-CG2 3.08Å; H229-T232 WeakPolarHBondContact O-CB 3.43Å; H229-T232 PolarHBondContact O-N 3.14Å; H229-T232 PolarHBondContact O-OG1 3.01Å; D230-T232 PolarHBondContact O-N 3.46Å
233	K	90.8	Very high	87.6	Confident	27 Å²	27	34.9 Å²	34.9	12%	0.117	19%	0.192	C	C	.	.	S	Bend	trans	-61.1	146.4	-177	-68.9	174.8	-175.7	168.5	0	112.1	L60 D62 R222 D230 Y231	L60-K233 PolarHBondContact O-NZ 3.44Å; D62-K233 HydrophobicContact CB-CD 4.32Å; D62-K233 VanDerWaalsContact O-CE 3.28Å; D62-K233 WeakPolarHBondContact O-CE 3.47Å; D62-K233 PolarHBondContact O-NZ 3.03Å; R222-K233 PolarHBondContact NE-O 3.41Å; R222-K233 PolarHBondContact NH2-O 3.35Å; D230-K233 HydrophobicContact CB-CD 4.22Å; D230-K233 VanDerWaalsContact CG-NZ 3.27Å; D230-K233 VanDerWaalsContact O-CB 3.32Å; D230-K233 WeakPolarHBondContact O-CB 3.1Å; D230-K233 VanDerWaalsContact O-CG 3.3Å; D230-K233 WeakPolarHBondContact O-CG 3.03Å; D230-K233 PolarHBondContact O-N 2.86Å; D230-K233 VanDerWaalsContact O-N 3.09Å; D230-K233 WeakPolarHBondContact OD1-CE 3.41Å; D230-K233 IonicContact OD1-NZ 3.95Å; D230-K233 PolarHBondContact OD1-NZ 2.97Å; D230-K233 IonicContact OD2-NZ 2.94Å; Y231-K233 VanDerWaalsContact C-N 3.26Å; Y231-K233 PolarHBondContact O-N 3.4Å
234	F	90	Very high	86.6	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.009	20%	0.197	C	C	.	.			trans	-82.4	116.4	172.1	173.5	-127.2	0	0	0	109.9	P67 G68 H206 G237 N238 W484 Y485	P67-F234 CarbonylContact C-O 3.52Å; P67-F234 HydrophobicContact CB-CB 3.93Å; P67-F234 HydrophobicContact CB-CD1 4.36Å; P67-F234 WeakPolarHBondContact CB-O 3.25Å; G68-F234 PolarHBondContact N-O 2.68Å; H206-F234 AromaticContact CE1-CZ 3.73Å; H206-F234 AromaticContact ND1-CZ 3.42Å; H206-F234 WeakPolarHBondContact ND1-CZ 3.47Å; F234-G237 VanDerWaalsContact CE1-CA 3.46Å; F234-G237 WeakPolarHBondContact CZ-O 3.28Å; F234-N238 HydrophobicContact CE1-CB 4.08Å; F234-N238 HydrophobicContact CZ-CB 4.42Å; F234-W484 HydrophobicContact CB-CD2 3.79Å; F234-W484 VanDerWaalsContact CB-CE2 3.44Å; F234-W484 HydrophobicContact CB-CE3 4.49Å; F234-W484 HydrophobicContact CB-CG 4Å; F234-W484 HydrophobicContact CB-CZ2 3.89Å; F234-W484 AromaticContact CD1-CD2 3.58Å; F234-W484 HydrophobicContact CD1-CD2 3.58Å; F234-W484 AromaticContact CD1-CE2 3.96Å; F234-W484 AromaticContact CD1-CE3 3.46Å; F234-W484 HydrophobicContact CD1-CE3 3.46Å; F234-W484 VanDerWaalsContact CD1-CE3 3.46Å; F234-W484 HydrophobicContact CD1-CG 4.16Å; F234-W484 HydrophobicContact CD1-CH2 4.11Å; F234-W484 HydrophobicContact CD1-CZ2 4.22Å; F234-W484 AromaticContact CD1-CZ3 3.74Å; F234-W484 HydrophobicContact CD1-CZ3 3.74Å; F234-W484 HydrophobicContact CD2-CB 3.98Å; F234-W484 HydrophobicContact CD2-CD2 4.05Å; F234-W484 AromaticContact CD2-CG 3.73Å; F234-W484 HydrophobicContact CD2-CG 3.73Å; F234-W484 HydrophobicContact CE1-CD2 4.13Å; F234-W484 AromaticContact CE1-CE3 3.7Å; F234-W484 HydrophobicContact CE1-CE3 3.7Å; F234-W484 HydrophobicContact CE1-CZ3 4.12Å; F234-W484 HydrophobicContact CE2-CB 4.06Å; F234-W484 HydrophobicContact CE2-CG 4.25Å; F234-W484 HydrophobicContact CG-CB 4.39Å; F234-W484 AromaticContact CG-CD1 3.98Å; F234-W484 AromaticContact CG-CD2 3.53Å; F234-W484 HydrophobicContact CG-CD2 3.53Å; F234-W484 AromaticContact CG-CE2 3.77Å; F234-W484 AromaticContact CG-CE3 3.95Å; F234-W484 HydrophobicContact CG-CE3 3.95Å; F234-W484 AromaticContact CG-CG 3.7Å; F234-W484 HydrophobicContact CG-CG 3.7Å; F234-W484 HydrophobicContact CG-CZ2 4.34Å; F234-W484 HydrophobicContact CG-CZ3 4.49Å; F234-W484 HydrophobicContact CZ-CE3 4.39Å; F234-Y485 HydrophobicContact CE2-CE2 4.06Å
235	F	84.2	Confident	85.6	Confident	21 Å²	21	35.1 Å²	35.1	9%	0.092	19%	0.192	C	C	.	.	S	Bend	trans	-89.5	-31.6	-167.3	67.5	-82.6	0	0	0	114.4	S59 F218 G237	S59-F235 VanDerWaalsContact OG-CB 3.25Å; S59-F235 WeakPolarHBondContact OG-CB 3.37Å; F218-F235 AromaticContact CD1-CE1 3.73Å; F218-F235 HydrophobicContact CD1-CE1 3.73Å; F218-F235 HydrophobicContact CD1-CZ 4.16Å; F218-F235 HydrophobicContact CE1-CD1 4.21Å; F218-F235 AromaticContact CE1-CE1 3.75Å; F218-F235 HydrophobicContact CE1-CE1 3.75Å; F218-F235 HydrophobicContact CE1-CZ 4.22Å; F235-G237 VanDerWaalsContact C-N 3.27Å; F235-G237 PolarHBondContact O-N 3.27Å
236	S	83	Confident	84.4	Confident	5 Å²	5	34.9 Å²	34.9	4%	0.035	19%	0.19	C	C	.	.	S	Bend	trans	-67.4	-35.4	-176.3	-54.2	0	0	0	0	110.8	H71 V202 Y485	H71-S236 PolarHBondContact ND1-O 3.38Å; V202-S236 VanDerWaalsContact CG1-O 3.23Å; V202-S236 WeakPolarHBondContact CG1-O 3.36Å; S236-Y485 PolarHBondContact OG-OH 3.19Å
237	G	84.7	Confident	83	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.196	C	C	.	.			trans	70.7	159.1	-164.1	0	0	0	0	0	111.4	V202 F234 F235 S241	V202-G237 VanDerWaalsContact CG1-C 3.41Å; V202-G237 WeakPolarHBondContact CG1-O 3.05Å; F234-G237 VanDerWaalsContact CE1-CA 3.46Å; F234-G237 WeakPolarHBondContact CZ-O 3.28Å; F235-G237 VanDerWaalsContact C-N 3.27Å; F235-G237 PolarHBondContact O-N 3.27Å; G237-S241 WeakPolarHBondContact CA-OG 3.43Å
238	N	81.9	Confident	81.9	Confident	13 Å²	13	35 Å²	35	7%	0.07	20%	0.196	C	C	.	.			trans	-156.2	178.4	170.2	67.7	15.6	0	0	0	108.6	H206 F234 Y240 S241 L242	H206-N238 HydrophobicContact CB-CB 3.94Å; H206-N238 VanDerWaalsContact CD2-CB 3.41Å; H206-N238 WeakPolarHBondContact CD2-CB 3.22Å; H206-N238 PolarHBondContact NE2-ND2 3.14Å; H206-N238 VanDerWaalsContact NE2-ND2 3.15Å; F234-N238 HydrophobicContact CE1-CB 4.08Å; F234-N238 HydrophobicContact CZ-CB 4.42Å; N238-Y240 PolarHBondContact O-N 2.81Å; N238-Y240 WeakPolarHBondContact OD1-CA 3.31Å; N238-Y240 WeakPolarHBondContact OD1-CB 3.37Å; N238-Y240 PolarHBondContact OD1-N 3.46Å; N238-S241 PolarHBondContact N-OG 3.34Å; N238-S241 PolarHBondContact O-N 3.31Å; N238-S241 PolarHBondContact O-OG 3.02Å; N238-S241 PolarHBondContact OD1-N 2.57Å; N238-L242 PolarHBondContact O-N 3.06Å
239	R	77.1	Confident	81.3	Confident	77 Å²	77	37.4 Å²	37.4	29%	0.291	19%	0.191	S	C	.	.	H	α-helix	trans	-54.2	-40.5	178	176.7	-177.6	169.9	145.8	13.8	112.5	Q203 F243 E244	Q203-R239 HydrophobicContact CG-CB 4.49Å; R239-F243 HydrophobicContact CG-CB 4.38Å; R239-F243 WeakPolarHBondContact O-CA 3.34Å; R239-F243 WeakPolarHBondContact O-CB 3.23Å; R239-F243 PolarHBondContact O-N 2.94Å; R239-E244 HydrophobicContact CG-CG 4.27Å; R239-E244 IonicContact CZ-OE1 3.93Å; R239-E244 IonicContact NE-OE1 2.65Å; R239-E244 PolarHBondContact NE-OE1 3.33Å; R239-E244 IonicContact NH2-OE1 3.65Å; R239-E244 PolarHBondContact O-N 3.49Å; R239-E244 VanDerWaalsContact O-N 3.15Å
240	Y	81.8	Confident	80.6	Confident	134 Å²	134	42.4 Å²	42.4	53%	0.525	23%	0.227	S	C	.	.	I	π-helix	trans	-66.8	-44.7	-179.7	178.5	-95.4	0	0	0	111.8	N238 E244 S245 W484	N238-Y240 PolarHBondContact O-N 2.81Å; N238-Y240 WeakPolarHBondContact OD1-CA 3.31Å; N238-Y240 WeakPolarHBondContact OD1-CB 3.37Å; N238-Y240 PolarHBondContact OD1-N 3.46Å; Y240-E244 HydrophobicContact CD2-CB 3.93Å; Y240-E244 PolarHBondContact O-N 2.95Å; Y240-S245 WeakPolarHBondContact O-CB 3.46Å; Y240-S245 PolarHBondContact O-N 2.96Å; Y240-S245 PolarHBondContact O-OG 2.83Å; Y240-W484 HydrophobicContact CD1-CH2 4.35Å; Y240-W484 HydrophobicContact CD1-CZ3 4.03Å
241	S	85.8	Confident	80	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.225	C	C	.	.	I	π-helix	trans	-74	-29	-176.7	75.4	0	0	0	0	113.8	P67 G237 N238 S245	P67-S241 WeakPolarHBondContact O-CB 3.23Å; P67-S241 PolarHBondContact O-OG 3.1Å; G237-S241 WeakPolarHBondContact CA-OG 3.43Å; N238-S241 PolarHBondContact N-OG 3.34Å; N238-S241 PolarHBondContact O-N 3.31Å; N238-S241 PolarHBondContact O-OG 3.02Å; N238-S241 PolarHBondContact OD1-N 2.57Å; S241-S245 PolarHBondContact O-OG 3.32Å
242	L	81.6	Confident	79.7	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.005	25%	0.247	C	C	.	.	I	π-helix	trans	-101.5	-23.3	-177.5	-63.8	173.5	0	0	0	113.9	F72 I146 V202 N238 S246 T253	F72-L242 HydrophobicContact CB-CD1 3.92Å; F72-L242 HydrophobicContact CB-CD2 4.28Å; F72-L242 HydrophobicContact CD2-CD1 3.97Å; F72-L242 HydrophobicContact CG-CD1 4.08Å; I146-L242 HydrophobicContact CG2-CB 4.4Å; V202-L242 HydrophobicContact CB-CD1 4.28Å; V202-L242 HydrophobicContact CG1-CD1 3.75Å; V202-L242 HydrophobicContact CG2-CD1 4.34Å; N238-L242 PolarHBondContact O-N 3.06Å; L242-S246 PolarHBondContact O-OG 2.66Å; L242-T253 PolarHBondContact O-OG1 3.45Å
243	F	77.2	Confident	79.3	Confident	65 Å²	65	44.8 Å²	44.8	29%	0.285	24%	0.24	S	C	.	.	I	π-helix	trans	-117.5	-66	179.3	-156.7	-126.9	0	0	0	113.6	I146 R239 S245 S246 C247	I146-F243 HydrophobicContact CB-CD2 4.2Å; I146-F243 HydrophobicContact CG2-CB 3.12Å; I146-F243 HydrophobicContact CG2-CD2 3.24Å; I146-F243 HydrophobicContact CG2-CE2 4.31Å; I146-F243 HydrophobicContact CG2-CG 3.42Å; I146-F243 VanDerWaalsContact CG2-CG 3.42Å; R239-F243 HydrophobicContact CG-CB 4.38Å; R239-F243 WeakPolarHBondContact O-CA 3.34Å; R239-F243 WeakPolarHBondContact O-CB 3.23Å; R239-F243 PolarHBondContact O-N 2.94Å; F243-S245 PolarHBondContact O-N 3.38Å; F243-S246 PolarHBondContact O-N 2.97Å; F243-S246 PolarHBondContact O-OG 2.91Å; F243-C247 WeakPolarHBondContact O-CB 3.41Å; F243-C247 PolarHBondContact O-N 2.88Å; F243-C247 PolarHBondContact O-SG 2.45Å
244	E	71.4	Confident	79.2	Confident	83 Å²	83	46.5 Å²	46.5	39%	0.388	25%	0.246	S	C	.	.	I	π-helix	trans	-71.4	-39.8	-159	-59.2	179.8	170.7	0	0	110.3	R239 Y240 S246 A248	R239-E244 HydrophobicContact CG-CG 4.27Å; R239-E244 IonicContact CZ-OE1 3.93Å; R239-E244 IonicContact NE-OE1 2.65Å; R239-E244 PolarHBondContact NE-OE1 3.33Å; R239-E244 IonicContact NH2-OE1 3.65Å; R239-E244 PolarHBondContact O-N 3.49Å; R239-E244 VanDerWaalsContact O-N 3.15Å; Y240-E244 HydrophobicContact CD2-CB 3.93Å; Y240-E244 PolarHBondContact O-N 2.95Å; E244-S246 VanDerWaalsContact C-N 3.34Å; E244-A248 VanDerWaalsContact O-CB 3.26Å; E244-A248 WeakPolarHBondContact O-CB 3.42Å; E244-A248 PolarHBondContact O-N 3.34Å
245	S	74.3	Confident	79.2	Confident	13 Å²	13	52.4 Å²	52.4	9%	0.091	27%	0.274	C	S	.	.	H	α-helix	trans	-68.4	-32.2	172.8	68	0	0	0	0	112.6	Y240 S241 F243 K249	Y240-S245 WeakPolarHBondContact O-CB 3.46Å; Y240-S245 PolarHBondContact O-N 2.96Å; Y240-S245 PolarHBondContact O-OG 2.83Å; S241-S245 PolarHBondContact O-OG 3.32Å; F243-S245 PolarHBondContact O-N 3.38Å; S245-K249 WeakPolarHBondContact O-CB 3.37Å; S245-K249 WeakPolarHBondContact O-CD 3.16Å; S245-K249 WeakPolarHBondContact O-CG 3.35Å; S245-K249 PolarHBondContact O-N 3.39Å
246	S	68	Low	79.5	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.014	28%	0.284	C	S	.	.	H	α-helix	trans	-73.4	-45.7	178.4	78.1	0	0	0	0	111.1	L242 F243 E244 A248 K249 S250 V251 T253	L242-S246 PolarHBondContact O-OG 2.66Å; F243-S246 PolarHBondContact O-N 2.97Å; F243-S246 PolarHBondContact O-OG 2.91Å; E244-S246 VanDerWaalsContact C-N 3.34Å; S246-A248 VanDerWaalsContact C-N 3.34Å; S246-A248 PolarHBondContact O-N 2.91Å; S246-K249 CarbonylContact O-C 3.44Å; S246-K249 PolarHBondContact O-N 3.21Å; S246-K249 VanDerWaalsContact O-N 3.08Å; S246-S250 PolarHBondContact O-N 3.48Å; S246-V251 PolarHBondContact O-N 3.48Å; S246-T253 WeakPolarHBondContact CB-OG1 3.2Å; S246-T253 PolarHBondContact OG-OG1 2.73Å
247	C	65.2	Low	80	Confident	69 Å²	69	54.5 Å²	54.5	47%	0.466	28%	0.282	S	S	.	.	H	α-helix	trans	-56.6	-46.6	171.3	-68.4	0	0	0	0	111.3	F243 K249 S250	F243-C247 WeakPolarHBondContact O-CB 3.41Å; F243-C247 PolarHBondContact O-N 2.88Å; F243-C247 PolarHBondContact O-SG 2.45Å; C247-K249 PolarHBondContact O-N 2.85Å; C247-S250 PolarHBondContact O-N 3.02Å; C247-S250 VanDerWaalsContact O-N 3.12Å
248	A	65.7	Low	80.4	Confident	85 Å²	85	57.6 Å²	57.6	70%	0.702	30%	0.298	S	S	*	.	H	α-helix	trans	-62.1	-31.3	177.2	0	0	0	0	0	112.9	E244 S246	E244-A248 VanDerWaalsContact O-CB 3.26Å; E244-A248 WeakPolarHBondContact O-CB 3.42Å; E244-A248 PolarHBondContact O-N 3.34Å; S246-A248 VanDerWaalsContact C-N 3.34Å; S246-A248 PolarHBondContact O-N 2.91Å
249	K	77	Confident	81	Confident	102 Å²	102	61.4 Å²	61.4	44%	0.443	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	3.6	177.7	-67.4	173	-179.6	-175.8	0	113.9	E65 S245 S246 C247 V251	E65-K249 WeakPolarHBondContact OE2-CD 3.19Å; E65-K249 IonicContact OE2-NZ 3.45Å; E65-K249 PolarHBondContact OE2-NZ 3.17Å; S245-K249 WeakPolarHBondContact O-CB 3.37Å; S245-K249 WeakPolarHBondContact O-CD 3.16Å; S245-K249 WeakPolarHBondContact O-CG 3.35Å; S245-K249 PolarHBondContact O-N 3.39Å; S246-K249 CarbonylContact O-C 3.44Å; S246-K249 PolarHBondContact O-N 3.21Å; S246-K249 VanDerWaalsContact O-N 3.08Å; C247-K249 PolarHBondContact O-N 2.85Å; K249-V251 HydrophobicContact CB-CG2 3.84Å; K249-V251 PolarHBondContact O-N 3.48Å
250	S	77.3	Confident	81.8	Confident	116 Å²	116	58 Å²	58	81%	0.811	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	33	-172.4	-55.7	0	0	0	0	113.7	S246 C247	S246-S250 PolarHBondContact O-N 3.48Å; C247-S250 PolarHBondContact O-N 3.02Å; C247-S250 VanDerWaalsContact O-N 3.12Å
251	V	79.5	Confident	82.5	Confident	29 Å²	29	52.2 Å²	52.2	18%	0.176	28%	0.28	C	S	.	.			trans	-92.8	121.7	176.3	175.7	0	0	0	0	108.7	L66 S246 K249 T253 K256	L66-V251 HydrophobicContact CD1-CG1 4.05Å; L66-V251 HydrophobicContact CG-CG1 4.43Å; S246-V251 PolarHBondContact O-N 3.48Å; K249-V251 HydrophobicContact CB-CG2 3.84Å; K249-V251 PolarHBondContact O-N 3.48Å; V251-T253 PolarHBondContact O-N 2.9Å; V251-K256 HydrophobicContact CG1-CG 3.65Å
252	N	84.8	Confident	82.9	Confident	85 Å²	85	55 Å²	55	46%	0.455	30%	0.3	S	S	.	.			trans	-76.4	108.5	172.2	-174.6	-41.8	0	0	0	109.7	R254 E255 K256	N252-R254 VanDerWaalsContact C-N 3.28Å; N252-R254 PolarHBondContact O-N 2.79Å; N252-R254 WeakPolarHBondContact OD1-CA 3.36Å; N252-R254 WeakPolarHBondContact OD1-CB 3.28Å; N252-R254 PolarHBondContact OD1-N 2.91Å; N252-E255 HydrophobicContact CB-CB 3.89Å; N252-E255 PolarHBondContact O-N 2.99Å; N252-E255 PolarHBondContact OD1-N 3.38Å; N252-K256 PolarHBondContact O-N 3.45Å; N252-K256 VanDerWaalsContact O-N 3.09Å
253	T	84.5	Confident	83.5	Confident	11 Å²	11	57.8 Å²	57.8	7%	0.067	32%	0.317	C	S	.	.	H	α-helix	trans	-60.1	-38	-177.8	-54	0	0	0	0	112.2	L66 L69 F72 I146 L242 S246 V251 K256 L257	L66-T253 HydrophobicContact CD1-CG2 4.38Å; L66-T253 HydrophobicContact CD2-CG2 4.45Å; L69-T253 HydrophobicContact CD1-CG2 4.4Å; F72-T253 HydrophobicContact CE1-CG2 4.3Å; I146-T253 HydrophobicContact CD1-CG2 3.47Å; I146-T253 VanDerWaalsContact CD1-CG2 3.47Å; L242-T253 PolarHBondContact O-OG1 3.45Å; S246-T253 WeakPolarHBondContact CB-OG1 3.2Å; S246-T253 PolarHBondContact OG-OG1 2.73Å; V251-T253 PolarHBondContact O-N 2.9Å; T253-K256 PolarHBondContact O-N 3.45Å; T253-L257 WeakPolarHBondContact O-CB 3.33Å; T253-L257 PolarHBondContact O-N 3.43Å
254	R	87.4	Confident	84.4	Confident	64 Å²	64	57.1 Å²	57.1	24%	0.242	31%	0.312	C	S	.	.	H	α-helix	trans	-65.9	-43.7	178.1	-170.7	-171.8	171.5	-123.8	-8.9	112.4	F137 D139 T142 N252 K256 L257 L258	F137-R254 PolarHBondContact O-NE 3.18Å; F137-R254 PolarHBondContact O-NH2 3.3Å; D139-R254 WeakPolarHBondContact OD1-CD 2.94Å; D139-R254 IonicContact OD1-CZ 2.73Å; D139-R254 IonicContact OD1-NE 3.03Å; D139-R254 PolarHBondContact OD1-NE 2.94Å; D139-R254 IonicContact OD1-NH1 3.49Å; D139-R254 PolarHBondContact OD1-NH1 2.89Å; D139-R254 IonicContact OD2-NH1 3.46Å; T142-R254 HydrophobicContact CG2-CB 3.86Å; T142-R254 HydrophobicContact CG2-CG 4.29Å; N252-R254 VanDerWaalsContact C-N 3.28Å; N252-R254 PolarHBondContact O-N 2.79Å; N252-R254 WeakPolarHBondContact OD1-CA 3.36Å; N252-R254 WeakPolarHBondContact OD1-CB 3.28Å; N252-R254 PolarHBondContact OD1-N 2.91Å; R254-K256 VanDerWaalsContact C-N 3.26Å; R254-K256 PolarHBondContact O-N 2.98Å; R254-L257 WeakPolarHBondContact O-CB 3.45Å; R254-L257 PolarHBondContact O-N 2.86Å; R254-L258 HydrophobicContact CG-CD1 4.34Å; R254-L258 PolarHBondContact O-N 3.48Å
255	E	91.2	Very high	85.6	Confident	126 Å²	126	53.2 Å²	53.2	59%	0.589	29%	0.294	S	S	*	.	H	α-helix	trans	-60.4	-41.1	176.2	-172	-176.1	172.3	0	0	110.6	N252 L258 Q259	N252-E255 HydrophobicContact CB-CB 3.89Å; N252-E255 PolarHBondContact O-N 2.99Å; N252-E255 PolarHBondContact OD1-N 3.38Å; E255-L258 PolarHBondContact O-N 2.99Å; E255-Q259 WeakPolarHBondContact O-CB 3.34Å; E255-Q259 PolarHBondContact O-N 3.49Å
256	K	91	Very high	86.7	Confident	69 Å²	69	52.6 Å²	52.6	30%	0.3	29%	0.29	S	S	.	.	H	α-helix	trans	-67.7	-36.2	175	-71.2	-70	170	-164.8	0	113.1	L66 L69 V251 N252 T253 R254 Q259 F260	L66-K256 HydrophobicContact CD1-CB 3.4Å; L66-K256 HydrophobicContact CD1-CG 3.64Å; L69-K256 HydrophobicContact CD2-CB 4.22Å; V251-K256 HydrophobicContact CG1-CG 3.65Å; N252-K256 PolarHBondContact O-N 3.45Å; N252-K256 VanDerWaalsContact O-N 3.09Å; T253-K256 PolarHBondContact O-N 3.45Å; R254-K256 VanDerWaalsContact C-N 3.26Å; R254-K256 PolarHBondContact O-N 2.98Å; K256-Q259 PolarHBondContact O-N 3.41Å; K256-F260 VanDerWaalsContact O-CB 3.28Å; K256-F260 WeakPolarHBondContact O-CB 3.38Å; K256-F260 PolarHBondContact O-N 3.43Å
257	L	91.4	Very high	88.1	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.1	-47.9	172.5	174.3	64	0	0	0	111.2	L69 F72 C73 M76 F137 T253 R254 Q259 F260 Y261	L69-L257 HydrophobicContact CD1-CB 4.3Å; F72-L257 HydrophobicContact CD1-CD1 4.34Å; F72-L257 HydrophobicContact CD1-CD2 4.22Å; F72-L257 HydrophobicContact CE1-CD2 3.9Å; C73-L257 HydrophobicContact CB-CD1 3.44Å; C73-L257 VanDerWaalsContact CB-CD1 3.44Å; M76-L257 HydrophobicContact CB-CD2 3.97Å; M76-L257 HydrophobicContact CE-CD2 4.13Å; M76-L257 HydrophobicContact CG-CD2 3.73Å; F137-L257 HydrophobicContact CB-CD2 4.05Å; F137-L257 HydrophobicContact CD1-CD2 3.73Å; F137-L257 HydrophobicContact CD1-CG 4.35Å; F137-L257 HydrophobicContact CD2-CD2 4.28Å; F137-L257 HydrophobicContact CD2-CG 4.22Å; F137-L257 HydrophobicContact CE1-CD1 4.48Å; F137-L257 HydrophobicContact CE1-CD2 4.11Å; F137-L257 HydrophobicContact CE1-CG 4.4Å; F137-L257 HydrophobicContact CE2-CG 4.31Å; F137-L257 HydrophobicContact CG-CD2 3.78Å; F137-L257 HydrophobicContact CG-CG 4.22Å; F137-L257 HydrophobicContact CZ-CD1 4.39Å; F137-L257 HydrophobicContact CZ-CG 4.37Å; T253-L257 WeakPolarHBondContact O-CB 3.33Å; T253-L257 PolarHBondContact O-N 3.43Å; R254-L257 WeakPolarHBondContact O-CB 3.45Å; R254-L257 PolarHBondContact O-N 2.86Å; L257-Q259 VanDerWaalsContact C-N 3.32Å; L257-Q259 PolarHBondContact O-N 3.37Å; L257-F260 WeakPolarHBondContact O-CB 3.28Å; L257-F260 PolarHBondContact O-N 3.2Å; L257-Y261 WeakPolarHBondContact O-CB 3.36Å; L257-Y261 PolarHBondContact O-N 3.27Å
258	L	93.8	Very high	89.4	Confident	66 Å²	66	50.4 Å²	50.4	35%	0.346	27%	0.273	S	S	.	.	H	α-helix	trans	-60.7	-41.3	174.6	-76	163.8	0	0	0	111.7	F137 R254 E255 S262	F137-L258 HydrophobicContact CD2-CD2 3.76Å; F137-L258 HydrophobicContact CD2-CG 4.31Å; R254-L258 HydrophobicContact CG-CD1 4.34Å; R254-L258 PolarHBondContact O-N 3.48Å; E255-L258 PolarHBondContact O-N 2.99Å; L258-S262 VanDerWaalsContact O-CB 3.24Å; L258-S262 WeakPolarHBondContact O-CB 3.48Å; L258-S262 PolarHBondContact O-N 3.39Å; L258-S262 PolarHBondContact O-OG 3.3Å
259	Q	94.7	Very high	90.8	Very high	93 Å²	93	46.7 Å²	46.7	44%	0.435	24%	0.242	S	C	.	.	H	α-helix	trans	-63.5	-44.1	174.5	-172.3	178.8	14.9	0	0	111.5	E255 K256 L257 S262 T263	E255-Q259 WeakPolarHBondContact O-CB 3.34Å; E255-Q259 PolarHBondContact O-N 3.49Å; K256-Q259 PolarHBondContact O-N 3.41Å; L257-Q259 VanDerWaalsContact C-N 3.32Å; L257-Q259 PolarHBondContact O-N 3.37Å; Q259-S262 WeakPolarHBondContact CA-OG 3.5Å; Q259-S262 PolarHBondContact O-OG 3.44Å; Q259-S262 VanDerWaalsContact O-OG 3.05Å; Q259-T263 VanDerWaalsContact O-CB 3.29Å; Q259-T263 WeakPolarHBondContact O-CB 3.28Å; Q259-T263 PolarHBondContact O-N 3.02Å; Q259-T263 PolarHBondContact O-OG1 3.4Å
260	F	94.8	Very high	91.7	Very high	5 Å²	5	41.9 Å²	41.9	2%	0.022	22%	0.221	C	C	.	.	H	α-helix	trans	-61.4	-51.6	178.7	-176.2	-88.7	0	0	0	110.8	I57 L69 A70 C73 K256 L257 S262 T263 W264 Y265	I57-F260 HydrophobicContact CG2-CE1 4.49Å; I57-F260 HydrophobicContact CG2-CZ 3.84Å; L69-F260 HydrophobicContact CD2-CB 3.81Å; L69-F260 HydrophobicContact CD2-CD2 4.05Å; L69-F260 HydrophobicContact CD2-CG 4.11Å; L69-F260 HydrophobicContact CG-CB 4.39Å; L69-F260 HydrophobicContact CG-CD2 4.47Å; L69-F260 HydrophobicContact CG-CG 4.38Å; A70-F260 HydrophobicContact CB-CE1 4.1Å; A70-F260 HydrophobicContact CB-CE2 4.37Å; A70-F260 HydrophobicContact CB-CZ 3.6Å; C73-F260 HydrophobicContact CB-CD1 4.17Å; C73-F260 HydrophobicContact CB-CE1 4.33Å; K256-F260 VanDerWaalsContact O-CB 3.28Å; K256-F260 WeakPolarHBondContact O-CB 3.38Å; K256-F260 PolarHBondContact O-N 3.43Å; L257-F260 WeakPolarHBondContact O-CB 3.28Å; L257-F260 PolarHBondContact O-N 3.2Å; F260-S262 PolarHBondContact O-N 3.06Å; F260-T263 PolarHBondContact O-N 3.06Å; F260-W264 AromaticContact CD2-CD1 3.42Å; F260-W264 VanDerWaalsContact CD2-CD1 3.42Å; F260-W264 AromaticContact CD2-NE1 3.75Å; F260-W264 AromaticContact CE2-CD1 3.41Å; F260-W264 VanDerWaalsContact CE2-CD1 3.41Å; F260-W264 HydrophobicContact CE2-CG 4.44Å; F260-W264 AromaticContact CE2-NE1 3.69Å; F260-W264 AromaticContact CG-CD1 3.79Å; F260-W264 AromaticContact CZ-CD1 3.76Å; F260-W264 HydrophobicContact CZ-CG 4.45Å; F260-W264 WeakPolarHBondContact O-CB 3.3Å; F260-W264 VanDerWaalsContact O-CD1 3.31Å; F260-W264 PolarHBondContact O-N 3.42Å; F260-Y265 HydrophobicContact CD1-CE2 4.41Å; F260-Y265 HydrophobicContact CE1-CE2 4.06Å
261	Y	96	Very high	92.4	Very high	13 Å²	13	36.4 Å²	36.4	5%	0.051	18%	0.182	C	C	.	.	H	α-helix	trans	-59.6	-49.2	177.4	-177.9	-89.8	0	0	0	111.7	L77 F131 F132 V133 P135 F137 L257 T263 W264 Y265	L77-Y261 HydrophobicContact CD1-CE2 4.49Å; L77-Y261 HydrophobicContact CD2-CD2 4.22Å; L77-Y261 HydrophobicContact CD2-CE2 3.84Å; F131-Y261 PolarHBondContact O-OH 3.05Å; F132-Y261 WeakPolarHBondContact CA-OH 3.28Å; F132-Y261 PolarHBondContact O-OH 3.36Å; F132-Y261 VanDerWaalsContact O-OH 3.05Å; V133-Y261 PolarHBondContact N-OH 2.84Å; P135-Y261 WeakPolarHBondContact CD-OH 3.27Å; P135-Y261 HydrophobicContact CG-CD1 4.23Å; P135-Y261 HydrophobicContact CG-CD2 4.2Å; P135-Y261 HydrophobicContact CG-CE1 3.78Å; P135-Y261 HydrophobicContact CG-CE2 3.73Å; P135-Y261 HydrophobicContact CG-CG 4.43Å; F137-Y261 HydrophobicContact CE2-CD1 4.29Å; F137-Y261 AromaticContact CE2-CD2 3.95Å; F137-Y261 HydrophobicContact CE2-CD2 3.95Å; F137-Y261 AromaticContact CE2-CG 3.73Å; F137-Y261 HydrophobicContact CE2-CG 3.73Å; F137-Y261 AromaticContact CZ-CD2 3.8Å; F137-Y261 HydrophobicContact CZ-CD2 3.8Å; F137-Y261 HydrophobicContact CZ-CE2 4.44Å; F137-Y261 HydrophobicContact CZ-CG 4.06Å; L257-Y261 WeakPolarHBondContact O-CB 3.36Å; L257-Y261 PolarHBondContact O-N 3.27Å; Y261-T263 PolarHBondContact O-N 3.2Å; Y261-W264 PolarHBondContact O-N 3.48Å; Y261-Y265 AromaticContact CD2-CD1 3.66Å; Y261-Y265 HydrophobicContact CD2-CD1 3.66Å; Y261-Y265 AromaticContact CD2-CD2 3.79Å; Y261-Y265 HydrophobicContact CD2-CD2 3.79Å; Y261-Y265 HydrophobicContact CD2-CE1 4.21Å; Y261-Y265 HydrophobicContact CD2-CE2 4.31Å; Y261-Y265 AromaticContact CD2-CG 3.42Å; Y261-Y265 HydrophobicContact CD2-CG 3.42Å; Y261-Y265 VanDerWaalsContact CD2-CG 3.42Å; Y261-Y265 AromaticContact CE2-CD1 3.37Å; Y261-Y265 HydrophobicContact CE2-CD1 3.37Å; Y261-Y265 HydrophobicContact CE2-CD2 4.32Å; Y261-Y265 HydrophobicContact CE2-CE1 4.1Å; Y261-Y265 AromaticContact CE2-CG 3.51Å; Y261-Y265 HydrophobicContact CE2-CG 3.51Å; Y261-Y265 HydrophobicContact CG-CD2 4.41Å; Y261-Y265 HydrophobicContact CG-CG 4.21Å; Y261-Y265 WeakPolarHBondContact O-CB 3.26Å; Y261-Y265 PolarHBondContact O-N 2.95Å
262	S	94.4	Very high	93.2	Very high	59 Å²	59	35 Å²	35	41%	0.413	17%	0.174	S	C	.	.	H	α-helix	trans	-66.6	-20.2	179	61	0	0	0	0	114	L258 Q259 F260 R297	L258-S262 VanDerWaalsContact O-CB 3.24Å; L258-S262 WeakPolarHBondContact O-CB 3.48Å; L258-S262 PolarHBondContact O-N 3.39Å; L258-S262 PolarHBondContact O-OG 3.3Å; Q259-S262 WeakPolarHBondContact CA-OG 3.5Å; Q259-S262 PolarHBondContact O-OG 3.44Å; Q259-S262 VanDerWaalsContact O-OG 3.05Å; F260-S262 PolarHBondContact O-N 3.06Å; S262-R297 WeakPolarHBondContact O-CD 3.14Å; S262-R297 PolarHBondContact O-NE 3.06Å
263	T	94.9	Very high	93.7	Very high	58 Å²	58	31.8 Å²	31.8	36%	0.356	16%	0.157	S	C	.	.	H	α-helix	trans	-85.8	-46	175	-57.6	0	0	0	0	111.4	Q259 F260 Y261 V299	Q259-T263 VanDerWaalsContact O-CB 3.29Å; Q259-T263 WeakPolarHBondContact O-CB 3.28Å; Q259-T263 PolarHBondContact O-N 3.02Å; Q259-T263 PolarHBondContact O-OG1 3.4Å; F260-T263 PolarHBondContact O-N 3.06Å; Y261-T263 PolarHBondContact O-N 3.2Å; T263-V299 WeakPolarHBondContact O-CG2 3.48Å
264	W	95.6	Very high	94.2	Very high	51 Å²	51	31.2 Å²	31.2	19%	0.193	15%	0.154	C	C	.	.	H	α-helix	trans	-105.7	-28.6	-162.7	-65.8	123.3	0	0	0	115.1	I57 F260 Y261 S266 V299 P302	I57-W264 HydrophobicContact CB-CB 4.24Å; I57-W264 HydrophobicContact CD1-CD2 3.94Å; I57-W264 HydrophobicContact CD1-CE3 3.33Å; I57-W264 HydrophobicContact CD1-CZ3 3.74Å; I57-W264 HydrophobicContact CG1-CB 3.97Å; I57-W264 HydrophobicContact CG1-CD2 4.14Å; I57-W264 HydrophobicContact CG1-CE3 3.79Å; I57-W264 HydrophobicContact CG1-CG 4.25Å; I57-W264 HydrophobicContact CG2-CB 3.89Å; I57-W264 HydrophobicContact CG2-CD2 4.19Å; I57-W264 HydrophobicContact CG2-CG 3.86Å; F260-W264 AromaticContact CD2-CD1 3.42Å; F260-W264 VanDerWaalsContact CD2-CD1 3.42Å; F260-W264 AromaticContact CD2-NE1 3.75Å; F260-W264 AromaticContact CE2-CD1 3.41Å; F260-W264 VanDerWaalsContact CE2-CD1 3.41Å; F260-W264 HydrophobicContact CE2-CG 4.44Å; F260-W264 AromaticContact CE2-NE1 3.69Å; F260-W264 AromaticContact CG-CD1 3.79Å; F260-W264 AromaticContact CZ-CD1 3.76Å; F260-W264 HydrophobicContact CZ-CG 4.45Å; F260-W264 WeakPolarHBondContact O-CB 3.3Å; F260-W264 VanDerWaalsContact O-CD1 3.31Å; F260-W264 PolarHBondContact O-N 3.42Å; Y261-W264 PolarHBondContact O-N 3.48Å; W264-S266 PolarHBondContact O-N 2.81Å; W264-V299 HydrophobicContact CE3-CG1 3.82Å; W264-V299 HydrophobicContact CZ3-CG1 3.82Å; W264-P302 HydrophobicContact CH2-CG 3.56Å; W264-P302 HydrophobicContact CZ3-CG 3.58Å
265	Y	96.3	Very high	94.6	Very high	1 Å²	1	29.6 Å²	29.6	0%	0.004	15%	0.15	C	C	.	.			trans	-81.2	60	-176	-82.1	-117.2	0	0	0	111.7	V55 L77 Y112 F132 F260 Y261 M270 R297	V55-Y265 HydrophobicContact CG2-CD1 4.07Å; V55-Y265 HydrophobicContact CG2-CE1 3.89Å; L77-Y265 HydrophobicContact CD1-CD1 4.31Å; L77-Y265 HydrophobicContact CD1-CE1 3.57Å; Y112-Y265 HydrophobicContact CE2-CE1 4.25Å; Y112-Y265 PolarHBondContact OH-OH 2.9Å; F132-Y265 HydrophobicContact CD1-CD1 4.09Å; F132-Y265 HydrophobicContact CD1-CE1 4.38Å; F132-Y265 HydrophobicContact CE1-CD1 4.47Å; F132-Y265 HydrophobicContact CE1-CE1 4.31Å; F260-Y265 HydrophobicContact CD1-CE2 4.41Å; F260-Y265 HydrophobicContact CE1-CE2 4.06Å; Y261-Y265 AromaticContact CD2-CD1 3.66Å; Y261-Y265 HydrophobicContact CD2-CD1 3.66Å; Y261-Y265 AromaticContact CD2-CD2 3.79Å; Y261-Y265 HydrophobicContact CD2-CD2 3.79Å; Y261-Y265 HydrophobicContact CD2-CE1 4.21Å; Y261-Y265 HydrophobicContact CD2-CE2 4.31Å; Y261-Y265 AromaticContact CD2-CG 3.42Å; Y261-Y265 HydrophobicContact CD2-CG 3.42Å; Y261-Y265 VanDerWaalsContact CD2-CG 3.42Å; Y261-Y265 AromaticContact CE2-CD1 3.37Å; Y261-Y265 HydrophobicContact CE2-CD1 3.37Å; Y261-Y265 HydrophobicContact CE2-CD2 4.32Å; Y261-Y265 HydrophobicContact CE2-CE1 4.1Å; Y261-Y265 AromaticContact CE2-CG 3.51Å; Y261-Y265 HydrophobicContact CE2-CG 3.51Å; Y261-Y265 HydrophobicContact CG-CD2 4.41Å; Y261-Y265 HydrophobicContact CG-CG 4.21Å; Y261-Y265 WeakPolarHBondContact O-CB 3.26Å; Y261-Y265 PolarHBondContact O-N 2.95Å; Y265-M270 VanDerWaalsContact C-CE 3.44Å; Y265-M270 HydrophobicContact CD1-CE 4.22Å; Y265-M270 HydrophobicContact CG-CE 4.47Å; Y265-M270 WeakPolarHBondContact O-CE 3.37Å; Y265-R297 PolarHBondContact O-NH1 3.01Å
266	S	97.1	Very high	94.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.122	C	C	.	.			trans	-98.6	136.9	-179.7	-174.1	0	0	0	0	112	W264 N268 L269 M270 R297	W264-S266 PolarHBondContact O-N 2.81Å; S266-N268 WeakPolarHBondContact CB-OD1 3.17Å; S266-N268 PolarHBondContact O-N 3.29Å; S266-N268 VanDerWaalsContact O-N 3.12Å; S266-N268 PolarHBondContact OG-OD1 2.88Å; S266-L269 PolarHBondContact O-N 2.94Å; S266-M270 WeakPolarHBondContact O-CG 3.18Å; S266-R297 PolarHBondContact OG-N 2.88Å
267	S	96.5	Very high	95.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-56.6	-30.5	-179.2	58.6	0	0	0	0	113.7	N34 M36 L269 M270 I295 D296	N34-S267 VanDerWaalsContact O-CB 3.3Å; N34-S267 WeakPolarHBondContact O-CB 3.4Å; N34-S267 PolarHBondContact O-OG 3.42Å; M36-S267 VanDerWaalsContact CA-O 3.29Å; M36-S267 WeakPolarHBondContact CA-O 3.21Å; S267-L269 PolarHBondContact O-N 2.94Å; S267-M270 PolarHBondContact O-N 3.48Å; S267-M270 VanDerWaalsContact O-N 3.08Å; S267-I295 PolarHBondContact N-O 2.88Å; S267-I295 VanDerWaalsContact N-O 3.1Å; S267-D296 WeakPolarHBondContact OG-CA 3.26Å; S267-D296 WeakPolarHBondContact OG-CB 3.43Å; S267-D296 PolarHBondContact OG-N 2.82Å
268	N	94.3	Very high	95.4	Very high	26 Å²	26	27.2 Å²	27.2	14%	0.139	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-69.5	-14.2	178.5	79.8	-79.2	0	0	0	114.2	R35 S266 D296 V299	R35-N268 HydrophobicContact CB-CB 4.11Å; S266-N268 WeakPolarHBondContact CB-OD1 3.17Å; S266-N268 PolarHBondContact O-N 3.29Å; S266-N268 VanDerWaalsContact O-N 3.12Å; S266-N268 PolarHBondContact OG-OD1 2.88Å; N268-D296 WeakPolarHBondContact CB-OD1 3.48Å; N268-D296 PolarHBondContact OD1-OD1 3.25Å; N268-V299 PolarHBondContact ND2-O 3.14Å; N268-V299 PolarHBondContact OD1-N 2.93Å
269	L	94.1	Very high	95.5	Very high	6 Å²	6	26.3 Å²	26.3	3%	0.031	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-102.5	5.1	173.4	-60.4	-174.6	0	0	0	112.5	N56 I57 S266 S267 V299 Q301	N56-L269 PolarHBondContact N-O 3.42Å; I57-L269 HydrophobicContact CD1-CD1 4.12Å; I57-L269 HydrophobicContact CG1-CD1 3.82Å; S266-L269 PolarHBondContact O-N 2.94Å; S267-L269 PolarHBondContact O-N 2.94Å; L269-V299 HydrophobicContact CD1-CB 3.87Å; L269-V299 HydrophobicContact CD1-CG1 3.75Å; L269-V299 HydrophobicContact CG-CB 4.29Å; L269-Q301 HydrophobicContact CD2-CB 3.87Å
270	M	95.4	Very high	95.6	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.01	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	141.4	-175.9	-66	-179.9	-173.2	0	0	112.3	M36 K37 L53 S54 V55 F132 Y265 S266 S267 V294	M36-M270 HydrophobicContact CE-CB 3.98Å; M36-M270 HydrophobicContact CE-SD 3.8Å; M36-M270 HydrophobicContact CG-CB 3.99Å; M36-M270 WeakPolarHBondContact CG-O 3.42Å; M36-M270 HydrophobicContact SD-CB 4.43Å; K37-M270 PolarHBondContact N-O 2.96Å; K37-M270 VanDerWaalsContact N-O 3.15Å; L53-M270 HydrophobicContact CD1-SD 4.46Å; L53-M270 HydrophobicContact CD2-CB 4.41Å; L53-M270 HydrophobicContact CD2-CG 4.19Å; L53-M270 HydrophobicContact CD2-SD 4.14Å; S54-M270 WeakPolarHBondContact O-CA 3.03Å; V55-M270 HydrophobicContact CG2-CE 4.12Å; V55-M270 HydrophobicContact CG2-CG 4.16Å; F132-M270 HydrophobicContact CB-CE 4.31Å; F132-M270 HydrophobicContact CB-SD 4.47Å; F132-M270 HydrophobicContact CD1-CE 4Å; F132-M270 HydrophobicContact CD1-SD 4.36Å; F132-M270 HydrophobicContact CG-CE 4.49Å; Y265-M270 VanDerWaalsContact C-CE 3.44Å; Y265-M270 HydrophobicContact CD1-CE 4.22Å; Y265-M270 HydrophobicContact CG-CE 4.47Å; Y265-M270 WeakPolarHBondContact O-CE 3.37Å; S266-M270 WeakPolarHBondContact O-CG 3.18Å; S267-M270 PolarHBondContact O-N 3.48Å; S267-M270 VanDerWaalsContact O-N 3.08Å; M270-V294 HydrophobicContact CE-CG1 4.02Å; M270-V294 HydrophobicContact SD-CG1 3.77Å
271	S	93.7	Very high	95.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	126.1	172.4	-78.6	0	0	0	0	109.5	N8 K37 L53 S54	N8-S271 PolarHBondContact OD1-OG 2.96Å; K37-S271 CarbonylContact O-C 3.54Å; K37-S271 WeakPolarHBondContact O-CA 3.44Å; L53-S271 WeakPolarHBondContact CA-O 3.29Å; S54-S271 PolarHBondContact N-O 3.09Å; S54-S271 PolarHBondContact O-N 3.22Å
272	L	94.7	Very high	95.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	139.5	-174.5	173.5	67.4	0	0	0	110.7	M36 K37 V38 L39 V51 C52 L53 I274 A287 F291	M36-L272 HydrophobicContact SD-CB 3.95Å; M36-L272 HydrophobicContact SD-CD2 4.17Å; K37-L272 PolarHBondContact O-N 2.92Å; V38-L272 CarbonylContact C-O 3.34Å; V38-L272 VanDerWaalsContact CA-O 3.28Å; V38-L272 WeakPolarHBondContact CA-O 3.47Å; V38-L272 HydrophobicContact CG1-CB 4.49Å; V38-L272 HydrophobicContact CG1-CD2 4.21Å; V38-L272 HydrophobicContact CG1-CG 4.36Å; V38-L272 HydrophobicContact CG2-CB 4.28Å; V38-L272 HydrophobicContact CG2-CD2 4.24Å; L39-L272 PolarHBondContact N-O 3.31Å; V51-L272 HydrophobicContact CG1-CD1 3.84Å; C52-L272 CarbonylContact O-C 3.54Å; C52-L272 WeakPolarHBondContact O-CA 3.32Å; L53-L272 HydrophobicContact CB-CD1 4.16Å; L53-L272 HydrophobicContact CD1-CD1 4.32Å; L272-I274 HydrophobicContact CD1-CG1 4.11Å; L272-I274 HydrophobicContact CD2-CD1 4.05Å; L272-I274 HydrophobicContact CD2-CG1 4.22Å; L272-I274 HydrophobicContact CG-CD1 4.42Å; L272-I274 HydrophobicContact CG-CG1 4.03Å; L272-A287 HydrophobicContact CD2-CB 4.46Å; L272-F291 HydrophobicContact CD1-CE1 4.24Å; L272-F291 HydrophobicContact CD1-CE2 4.03Å; L272-F291 HydrophobicContact CD1-CZ 3.79Å; L272-F291 HydrophobicContact CD2-CB 4.4Å; L272-F291 HydrophobicContact CD2-CD1 4.26Å; L272-F291 HydrophobicContact CD2-CD2 3.39Å; L272-F291 HydrophobicContact CD2-CE1 4.39Å; L272-F291 HydrophobicContact CD2-CE2 3.54Å; L272-F291 HydrophobicContact CD2-CG 3.77Å; L272-F291 HydrophobicContact CD2-CZ 4.04Å; L272-F291 HydrophobicContact CG-CE2 4.45Å
273	V	95.3	Very high	95.8	Very high	17 Å²	17	27.4 Å²	27.4	10%	0.103	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	129.8	170.8	-173.3	0	0	0	0	108.7	I3 V4 I7 L39 I41 V51 C52	I3-V273 HydrophobicContact CG2-CG2 4.41Å; V4-V273 HydrophobicContact CG2-CG2 4.34Å; I7-V273 HydrophobicContact CD1-CG2 3.83Å; L39-V273 HydrophobicContact CB-CG1 4.41Å; L39-V273 HydrophobicContact CB-CG2 4.29Å; L39-V273 HydrophobicContact CD2-CG1 4.19Å; L39-V273 HydrophobicContact CG-CG1 4.43Å; L39-V273 VanDerWaalsContact O-CA 3.27Å; L39-V273 WeakPolarHBondContact O-CA 3.32Å; I41-V273 HydrophobicContact CD1-CG1 3.89Å; I41-V273 HydrophobicContact CG1-CG1 4.4Å; V51-V273 VanDerWaalsContact CA-O 3.3Å; V51-V273 WeakPolarHBondContact CA-O 3.46Å; C52-V273 HydrophobicContact CB-CB 4.32Å; C52-V273 PolarHBondContact N-O 3.17Å; C52-V273 PolarHBondContact O-N 3.42Å
274	I	96.2	Very high	95.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	126.2	174.2	-54.4	-179.1	0	0	0	108.9	L39 L40 I41 V51 L121 L125 L272 L283 A287 F291	L39-I274 PolarHBondContact O-N 3.42Å; L40-I274 CarbonylContact C-O 3.52Å; L40-I274 HydrophobicContact CD2-CB 4.16Å; L40-I274 HydrophobicContact CD2-CD1 4.38Å; L40-I274 HydrophobicContact CD2-CG1 4.47Å; I41-I274 PolarHBondContact N-O 3.17Å; V51-I274 HydrophobicContact CG2-CG1 4.41Å; V51-I274 HydrophobicContact CG2-CG2 4.24Å; L121-I274 HydrophobicContact CD2-CG2 4.18Å; L125-I274 HydrophobicContact CD1-CD1 4.24Å; L272-I274 HydrophobicContact CD1-CG1 4.11Å; L272-I274 HydrophobicContact CD2-CD1 4.05Å; L272-I274 HydrophobicContact CD2-CG1 4.22Å; L272-I274 HydrophobicContact CG-CD1 4.42Å; L272-I274 HydrophobicContact CG-CG1 4.03Å; I274-L283 HydrophobicContact CG2-CD2 3.91Å; I274-A287 HydrophobicContact CD1-CB 3.95Å; I274-F291 HydrophobicContact CD1-CE2 4.4Å
275	L	96.2	Very high	95.9	Very high	30 Å²	30	30.2 Å²	30.2	16%	0.157	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	128.6	170.9	-177.1	156.5	0	0	0	109.4	I41 T46 K48 S49 A50	I41-L275 HydrophobicContact CB-CB 4.09Å; I41-L275 HydrophobicContact CB-CD1 4.35Å; I41-L275 HydrophobicContact CB-CG 4.15Å; I41-L275 HydrophobicContact CD1-CD1 4.47Å; I41-L275 HydrophobicContact CG2-CD1 4.02Å; I41-L275 HydrophobicContact CG2-CG 4.15Å; I41-L275 VanDerWaalsContact O-CA 3.3Å; I41-L275 WeakPolarHBondContact O-CA 3.43Å; T46-L275 HydrophobicContact CG2-CD2 3.93Å; K48-L275 WeakPolarHBondContact O-CD2 3.35Å; S49-L275 CarbonylContact C-O 3.6Å; S49-L275 VanDerWaalsContact CA-O 3.27Å; S49-L275 WeakPolarHBondContact CA-O 3.42Å; S49-L275 VanDerWaalsContact CB-O 3.26Å; S49-L275 WeakPolarHBondContact CB-O 3.43Å; A50-L275 HydrophobicContact CB-CB 4.48Å; A50-L275 PolarHBondContact N-O 3.01Å; A50-L275 PolarHBondContact O-N 3.3Å
276	G	96.7	Very high	95.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	176.5	176	0	0	0	0	0	113.9	I41 D43 S49 E278	I41-G276 PolarHBondContact O-N 2.77Å; I41-G276 VanDerWaalsContact O-N 3.13Å; D43-G276 PolarHBondContact N-O 3.46Å; S49-G276 WeakPolarHBondContact OG-CA 3.48Å; G276-E278 VanDerWaalsContact C-N 3.3Å; G276-E278 WeakPolarHBondContact CA-OE2 3.49Å
277	R	96	Very high	95.9	Very high	90 Å²	90	30.9 Å²	30.9	34%	0.34	15%	0.153	S	C	.	.	S	Bend	trans	-76.2	-21.7	175.1	-74.4	-173	175.6	168.6	-4.7	112.6	T46 D47 P118 E119	T46-R277 HydrophobicContact CG2-CG 3.77Å; T46-R277 VanDerWaalsContact O-CZ 3.26Å; T46-R277 PolarHBondContact O-NE 3.02Å; T46-R277 PolarHBondContact O-NH2 2.93Å; D47-R277 IonicContact OD1-NH2 2.62Å; P118-R277 HydrophobicContact CB-CB 4.43Å; P118-R277 HydrophobicContact CB-CG 3.85Å; P118-R277 HydrophobicContact CG-CG 4.16Å; E119-R277 IonicContact OE1-NH1 2.68Å; E119-R277 PolarHBondContact OE1-NH1 3.42Å
278	E	96.8	Very high	95.9	Very high	54 Å²	54	34.5 Å²	34.5	25%	0.252	17%	0.17	S	C	.	.	S	Bend	trans	-63.9	150.5	-177.6	-59.1	92.2	148.5	0	0	111.4	S42 G276 D282 L283	S42-E278 WeakPolarHBondContact CB-O 3.46Å; S42-E278 PolarHBondContact OG-O 3.23Å; S42-E278 VanDerWaalsContact OG-O 3.13Å; G276-E278 VanDerWaalsContact C-N 3.3Å; G276-E278 WeakPolarHBondContact CA-OE2 3.49Å; E278-D282 HydrophobicContact CB-CB 4.01Å; E278-L283 HydrophobicContact CB-CD2 3.88Å; E278-L283 HydrophobicContact CB-CG 4.02Å
279	S	96.9	Very high	96	Very high	48 Å²	48	37.8 Å²	37.8	34%	0.336	19%	0.187	S	C	.	.			trans	-58.8	153.2	176.1	77.8	0	0	0	0	111	N281 D282 L283	S279-N281 PolarHBondContact O-N 2.98Å; S279-D282 PolarHBondContact O-N 3.41Å; S279-D282 VanDerWaalsContact OG-CG 3.27Å; S279-D282 PolarHBondContact OG-N 2.99Å; S279-D282 PolarHBondContact OG-OD2 2.8Å; S279-L283 PolarHBondContact O-N 3.14Å
280	I	95	Very high	96	Very high	19 Å²	19	38.8 Å²	38.8	10%	0.097	19%	0.192	C	C	.	.	H	α-helix	trans	-50.2	-34.3	175	-71.4	-65.3	0	0	0	112.7	E26 K28 L40 Q284	E26-I280 HydrophobicContact CB-CD1 4.15Å; E26-I280 HydrophobicContact CB-CG1 3.79Å; K28-I280 HydrophobicContact CB-CD1 4.32Å; K28-I280 HydrophobicContact CB-CG2 3.63Å; K28-I280 HydrophobicContact CD-CG2 3.39Å; K28-I280 HydrophobicContact CG-CG2 4.16Å; L40-I280 HydrophobicContact CB-CD1 4.13Å; I280-Q284 WeakPolarHBondContact O-CB 3.39Å; I280-Q284 PolarHBondContact O-N 3.31Å
281	N	96	Very high	96.1	Very high	99 Å²	99	38.7 Å²	38.7	53%	0.529	19%	0.191	S	C	.	.	H	α-helix	trans	-72.4	-34.7	178.5	-68.9	-33.3	0	0	0	112.8	S279 K285	S279-N281 PolarHBondContact O-N 2.98Å; N281-K285 WeakPolarHBondContact O-CG 3.22Å; N281-K285 PolarHBondContact O-N 3.34Å; N281-K285 VanDerWaalsContact O-N 3.15Å
282	D	97.2	Very high	96.2	Very high	74 Å²	74	40.7 Å²	40.7	40%	0.396	21%	0.205	S	C	.	.	H	α-helix	trans	-77.3	-39	177.9	-62.7	-40.2	0	0	0	111	E278 S279 Q284 K285 L286	E278-D282 HydrophobicContact CB-CB 4.01Å; S279-D282 PolarHBondContact O-N 3.41Å; S279-D282 VanDerWaalsContact OG-CG 3.27Å; S279-D282 PolarHBondContact OG-N 2.99Å; S279-D282 PolarHBondContact OG-OD2 2.8Å; D282-Q284 VanDerWaalsContact C-N 3.26Å; D282-Q284 PolarHBondContact O-N 3.48Å; D282-K285 PolarHBondContact O-N 3.32Å; D282-K285 IonicContact OD1-NZ 3.52Å; D282-L286 WeakPolarHBondContact O-CB 3.37Å; D282-L286 PolarHBondContact O-N 3.39Å
283	L	97.1	Very high	96.2	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-59.4	-38.1	169.7	-66.9	179.8	0	0	0	111.8	L40 I41 L121 I274 E278 S279 L286 A287	L40-L283 HydrophobicContact CB-CB 4.35Å; L40-L283 HydrophobicContact CB-CD1 4.49Å; L40-L283 HydrophobicContact CD1-CB 4.24Å; L40-L283 HydrophobicContact CD2-CB 4.16Å; L40-L283 HydrophobicContact CG-CB 4.48Å; I41-L283 WeakPolarHBondContact O-CD1 3.33Å; L121-L283 HydrophobicContact CD2-CD2 4.2Å; I274-L283 HydrophobicContact CG2-CD2 3.91Å; E278-L283 HydrophobicContact CB-CD2 3.88Å; E278-L283 HydrophobicContact CB-CG 4.02Å; S279-L283 PolarHBondContact O-N 3.14Å; L283-L286 PolarHBondContact O-N 2.9Å; L283-A287 WeakPolarHBondContact O-CB 2.99Å; L283-A287 PolarHBondContact O-N 3.44Å
284	Q	96.3	Very high	96.2	Very high	44 Å²	44	46.3 Å²	46.3	21%	0.206	23%	0.231	C	C	.	.	H	α-helix	trans	-62.1	-50.9	174.4	170.4	175.8	-16.1	0	0	111.4	M30 L40 I280 D282 L286 A287 E288	M30-Q284 HydrophobicContact CE-CG 3.89Å; M30-Q284 HydrophobicContact SD-CB 4.2Å; M30-Q284 HydrophobicContact SD-CG 3.72Å; L40-Q284 HydrophobicContact CD1-CB 3.72Å; I280-Q284 WeakPolarHBondContact O-CB 3.39Å; I280-Q284 PolarHBondContact O-N 3.31Å; D282-Q284 VanDerWaalsContact C-N 3.26Å; D282-Q284 PolarHBondContact O-N 3.48Å; Q284-L286 PolarHBondContact O-N 2.96Å; Q284-A287 PolarHBondContact O-N 3.34Å; Q284-E288 HydrophobicContact CG-CG 4.42Å; Q284-E288 WeakPolarHBondContact CG-OE1 2.94Å; Q284-E288 PolarHBondContact NE2-OE1 3.22Å; Q284-E288 WeakPolarHBondContact O-CG 3.07Å; Q284-E288 PolarHBondContact O-N 3.18Å
285	K	96.7	Very high	96.2	Very high	125 Å²	125	51 Å²	51	54%	0.543	26%	0.255	S	S	.	.	H	α-helix	trans	-59.2	-37.9	177.6	-70.4	170.8	-168.8	160.3	0	111.3	N281 D282 E288 D289	N281-K285 WeakPolarHBondContact O-CG 3.22Å; N281-K285 PolarHBondContact O-N 3.34Å; N281-K285 VanDerWaalsContact O-N 3.15Å; D282-K285 PolarHBondContact O-N 3.32Å; D282-K285 IonicContact OD1-NZ 3.52Å; K285-E288 PolarHBondContact O-N 2.88Å; K285-D289 WeakPolarHBondContact O-CB 3.36Å; K285-D289 PolarHBondContact O-N 3.26Å
286	L	96	Very high	96.2	Very high	15 Å²	15	52.1 Å²	52.1	8%	0.079	26%	0.261	C	S	.	.	H	α-helix	trans	-66.2	-43	178	-168.6	61.9	0	0	0	111.5	L121 R122 L125 D282 L283 Q284 K290	L121-L286 HydrophobicContact CD2-CD2 4.18Å; L121-L286 HydrophobicContact CG-CD2 4.28Å; R122-L286 HydrophobicContact CB-CD1 4.48Å; R122-L286 HydrophobicContact CG-CD1 4.07Å; L125-L286 HydrophobicContact CD1-CD1 4.37Å; L125-L286 HydrophobicContact CD1-CD2 3.44Å; L125-L286 VanDerWaalsContact CD1-CD2 3.44Å; L125-L286 HydrophobicContact CD1-CG 3.66Å; D282-L286 WeakPolarHBondContact O-CB 3.37Å; D282-L286 PolarHBondContact O-N 3.39Å; L283-L286 PolarHBondContact O-N 2.9Å; Q284-L286 PolarHBondContact O-N 2.96Å; L286-K290 HydrophobicContact CD1-CG 4.13Å; L286-K290 WeakPolarHBondContact O-CB 2.8Å; L286-K290 WeakPolarHBondContact O-CG 2.93Å; L286-K290 PolarHBondContact O-N 3.29Å
287	A	96.2	Very high	96.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.5	-43.8	173.7	0	0	0	0	0	112	V38 L40 L272 I274 L283 Q284 F291	V38-A287 HydrophobicContact CG1-CB 4.24Å; L40-A287 HydrophobicContact CD2-CB 4.24Å; L272-A287 HydrophobicContact CD2-CB 4.46Å; I274-A287 HydrophobicContact CD1-CB 3.95Å; L283-A287 WeakPolarHBondContact O-CB 2.99Å; L283-A287 PolarHBondContact O-N 3.44Å; Q284-A287 PolarHBondContact O-N 3.34Å; A287-F291 WeakPolarHBondContact O-CB 3.29Å; A287-F291 PolarHBondContact O-N 3.39Å
288	E	96.8	Very high	96	Very high	76 Å²	76	56.4 Å²	56.4	36%	0.355	29%	0.285	S	S	.	.	H	α-helix	trans	-63.2	-47.2	177	-72.5	169.8	-178.9	0	0	111.8	M30 L32 Q284 K285 S292	M30-E288 HydrophobicContact CE-CG 4.36Å; L32-E288 HydrophobicContact CD2-CB 4.44Å; L32-E288 HydrophobicContact CD2-CG 3.69Å; Q284-E288 HydrophobicContact CG-CG 4.42Å; Q284-E288 WeakPolarHBondContact CG-OE1 2.94Å; Q284-E288 PolarHBondContact NE2-OE1 3.22Å; Q284-E288 WeakPolarHBondContact O-CG 3.07Å; Q284-E288 PolarHBondContact O-N 3.18Å; K285-E288 PolarHBondContact O-N 2.88Å; E288-S292 WeakPolarHBondContact O-CB 3.41Å; E288-S292 PolarHBondContact O-N 3.47Å; E288-S292 PolarHBondContact O-OG 2.81Å
289	D	96.1	Very high	95.8	Very high	94 Å²	94	54.9 Å²	54.9	50%	0.503	28%	0.279	S	S	.	.	H	α-helix	trans	-62	-43.4	179.2	-175.9	39.7	0	0	0	111.8	K285	K285-D289 WeakPolarHBondContact O-CB 3.36Å; K285-D289 PolarHBondContact O-N 3.26Å
290	K	95.6	Very high	95.5	Very high	27 Å²	27	58.6 Å²	58.6	12%	0.117	30%	0.3	C	S	.	.	H	α-helix	trans	-89.3	-28.9	-171.1	-56.8	-63.7	156.6	-150.6	0	114.8	L125 D126 S129 L286	L125-K290 HydrophobicContact CB-CG 4.17Å; D126-K290 VanDerWaalsContact OD1-CD 3.32Å; D126-K290 WeakPolarHBondContact OD1-CD 3.42Å; D126-K290 WeakPolarHBondContact OD1-CE 3.26Å; D126-K290 IonicContact OD1-NZ 2.63Å; D126-K290 PolarHBondContact OD1-NZ 3.32Å; S129-K290 VanDerWaalsContact CB-O 3.22Å; S129-K290 WeakPolarHBondContact CB-O 3.49Å; L286-K290 HydrophobicContact CD1-CG 4.13Å; L286-K290 WeakPolarHBondContact O-CB 2.8Å; L286-K290 WeakPolarHBondContact O-CG 2.93Å; L286-K290 PolarHBondContact O-N 3.29Å
291	F	97.2	Very high	95	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-118.4	-4.6	-170.4	-63.6	-86.3	0	0	0	114.9	L32 N34 M36 L53 L125 F128 F132 L272 I274 A287 E293 V294	L32-F291 HydrophobicContact CD1-CB 3.8Å; N34-F291 PolarHBondContact ND2-O 3.46Å; M36-F291 HydrophobicContact CE-CB 4.09Å; M36-F291 HydrophobicContact CE-CD1 4.28Å; M36-F291 HydrophobicContact SD-CB 3.94Å; M36-F291 HydrophobicContact SD-CD1 4.33Å; M36-F291 HydrophobicContact SD-CG 4.31Å; L53-F291 HydrophobicContact CD1-CD1 3.96Å; L53-F291 HydrophobicContact CD1-CE1 3.62Å; L125-F291 HydrophobicContact CD2-CE2 3.76Å; L125-F291 HydrophobicContact CD2-CZ 3.8Å; F128-F291 HydrophobicContact CD1-CE1 4.29Å; F128-F291 AromaticContact CD1-CZ 3.96Å; F128-F291 HydrophobicContact CD1-CZ 3.96Å; F128-F291 HydrophobicContact CE1-CE1 4.4Å; F128-F291 HydrophobicContact CE1-CZ 4.25Å; F132-F291 HydrophobicContact CD2-CE1 4.34Å; L272-F291 HydrophobicContact CD1-CE1 4.24Å; L272-F291 HydrophobicContact CD1-CE2 4.03Å; L272-F291 HydrophobicContact CD1-CZ 3.79Å; L272-F291 HydrophobicContact CD2-CB 4.4Å; L272-F291 HydrophobicContact CD2-CD1 4.26Å; L272-F291 HydrophobicContact CD2-CD2 3.39Å; L272-F291 HydrophobicContact CD2-CE1 4.39Å; L272-F291 HydrophobicContact CD2-CE2 3.54Å; L272-F291 HydrophobicContact CD2-CG 3.77Å; L272-F291 HydrophobicContact CD2-CZ 4.04Å; L272-F291 HydrophobicContact CG-CE2 4.45Å; I274-F291 HydrophobicContact CD1-CE2 4.4Å; A287-F291 WeakPolarHBondContact O-CB 3.29Å; A287-F291 PolarHBondContact O-N 3.39Å; F291-E293 PolarHBondContact O-N 3.05Å; F291-V294 HydrophobicContact CD1-CG2 4.42Å; F291-V294 WeakPolarHBondContact O-CG2 3.25Å; F291-V294 PolarHBondContact O-N 3.19Å
292	S	95.1	Very high	94.6	Very high	43 Å²	43	58 Å²	58	30%	0.301	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-23	177.2	-61.9	0	0	0	0	113.5	N34 E288 V294	N34-S292 PolarHBondContact ND2-O 3.38Å; E288-S292 WeakPolarHBondContact O-CB 3.41Å; E288-S292 PolarHBondContact O-N 3.47Å; E288-S292 PolarHBondContact O-OG 2.81Å; S292-V294 VanDerWaalsContact C-N 3.29Å; S292-V294 PolarHBondContact O-N 3.48Å
293	E	94.5	Very high	93.9	Very high	133 Å²	133	58 Å²	58	62%	0.621	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-18.3	177.2	-169.3	176.1	172.6	0	0	112.9	V133 F291 I295	V133-E293 HydrophobicContact CG1-CG 4.06Å; V133-E293 HydrophobicContact CG2-CB 4.37Å; V133-E293 HydrophobicContact CG2-CG 4.46Å; F291-E293 PolarHBondContact O-N 3.05Å; E293-I295 PolarHBondContact O-N 3.15Å
294	V	96.2	Very high	93.4	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.012	31%	0.305	C	S	.	.	S	Bend	trans	-61.1	124.1	178.6	-176.6	0	0	0	0	109.5	N34 M36 F132 V133 M270 F291 S292 D296	N34-V294 PolarHBondContact ND2-O 3.21Å; M36-V294 HydrophobicContact CE-CB 4.03Å; M36-V294 HydrophobicContact CE-CG1 4.2Å; M36-V294 HydrophobicContact CE-CG2 4.05Å; F132-V294 HydrophobicContact CB-CG1 4.22Å; F132-V294 HydrophobicContact CB-CG2 3.88Å; V133-V294 HydrophobicContact CG2-CG2 4.21Å; M270-V294 HydrophobicContact CE-CG1 4.02Å; M270-V294 HydrophobicContact SD-CG1 3.77Å; F291-V294 HydrophobicContact CD1-CG2 4.42Å; F291-V294 WeakPolarHBondContact O-CG2 3.25Å; F291-V294 PolarHBondContact O-N 3.19Å; S292-V294 VanDerWaalsContact C-N 3.29Å; S292-V294 PolarHBondContact O-N 3.48Å; V294-D296 PolarHBondContact O-N 3.09Å
295	I	95.9	Very high	92.8	Very high	98 Å²	98	63.5 Å²	63.5	50%	0.503	33%	0.332	S	S	.	.			trans	-70.6	126.9	-171.2	-59.1	174.4	0	0	0	110.6	S267 E293 R297	S267-I295 PolarHBondContact N-O 2.88Å; S267-I295 VanDerWaalsContact N-O 3.1Å; E293-I295 PolarHBondContact O-N 3.15Å; I295-R297 HydrophobicContact CG2-CG 3.79Å; I295-R297 PolarHBondContact O-N 2.96Å; I295-R297 PolarHBondContact O-NH1 3.43Å
296	D	96.1	Very high	92.3	Very high	53 Å²	53	61.1 Å²	61.1	28%	0.283	33%	0.325	S	S	.	.			trans	-84	107.4	165.5	-170.8	-9.7	0	0	0	110.4	N34 R35 S267 N268 V294 N298	N34-D296 HydrophobicContact CB-CB 4.37Å; R35-D296 IonicContact CZ-OD1 3.4Å; R35-D296 IonicContact CZ-OD2 3.21Å; R35-D296 IonicContact NE-OD1 3.24Å; R35-D296 IonicContact NE-OD2 3.39Å; R35-D296 PolarHBondContact NE-OD2 3.44Å; R35-D296 IonicContact NH2-OD1 2.94Å; R35-D296 PolarHBondContact NH2-OD1 3.15Å; R35-D296 IonicContact NH2-OD2 3.61Å; R35-D296 PolarHBondContact NH2-OD2 3.16Å; S267-D296 WeakPolarHBondContact OG-CA 3.26Å; S267-D296 WeakPolarHBondContact OG-CB 3.43Å; S267-D296 PolarHBondContact OG-N 2.82Å; N268-D296 WeakPolarHBondContact CB-OD1 3.48Å; N268-D296 PolarHBondContact OD1-OD1 3.25Å; V294-D296 PolarHBondContact O-N 3.09Å; D296-N298 PolarHBondContact OD1-N 2.57Å
297	R	95	Very high	91.9	Very high	74 Å²	74	63.2 Å²	63.2	28%	0.279	34%	0.338	S	S	.	.			trans	-94.6	5.8	178.4	-58.9	179.3	-178.8	80.3	-13.1	113.1	S262 Y265 S266 I295 V299	S262-R297 WeakPolarHBondContact O-CD 3.14Å; S262-R297 PolarHBondContact O-NE 3.06Å; Y265-R297 PolarHBondContact O-NH1 3.01Å; S266-R297 PolarHBondContact OG-N 2.88Å; I295-R297 HydrophobicContact CG2-CG 3.79Å; I295-R297 PolarHBondContact O-N 2.96Å; I295-R297 PolarHBondContact O-NH1 3.43Å; R297-V299 VanDerWaalsContact C-N 3.28Å; R297-V299 HydrophobicContact CB-CG2 3.78Å; R297-V299 PolarHBondContact O-N 3.14Å
298	N	93.6	Very high	91.7	Very high	106 Å²	106	63.2 Å²	63.2	57%	0.567	34%	0.338	S	S	*	.			trans	51.8	45.4	-179.5	-165.5	45.3	0	0	0	114	R35 D296	R35-N298 PolarHBondContact NH1-OD1 3.24Å; R35-N298 VanDerWaalsContact NH2-CA 3.26Å; R35-N298 PolarHBondContact NH2-OD1 2.88Å; D296-N298 PolarHBondContact OD1-N 2.57Å
299	V	92.4	Very high	91.6	Very high	23 Å²	23	59.9 Å²	59.9	14%	0.139	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-78.8	132	-177.4	-173.7	0	0	0	0	109.4	T263 W264 N268 L269 R297	T263-V299 WeakPolarHBondContact O-CG2 3.48Å; W264-V299 HydrophobicContact CE3-CG1 3.82Å; W264-V299 HydrophobicContact CZ3-CG1 3.82Å; N268-V299 PolarHBondContact ND2-O 3.14Å; N268-V299 PolarHBondContact OD1-N 2.93Å; L269-V299 HydrophobicContact CD1-CB 3.87Å; L269-V299 HydrophobicContact CD1-CG1 3.75Å; L269-V299 HydrophobicContact CG-CB 4.29Å; R297-V299 VanDerWaalsContact C-N 3.28Å; R297-V299 HydrophobicContact CB-CG2 3.78Å; R297-V299 PolarHBondContact O-N 3.14Å
300	V	90	Very high	91.5	Very high	126 Å²	126	57.3 Å²	57.3	76%	0.764	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-82.5	124.4	169.9	-178.8	0	0	0	0	108
301	Q	85.6	Confident	91.3	Very high	73 Å²	73	62.1 Å²	62.1	34%	0.341	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-59.4	131.7	176.5	-171.9	176.4	-13.4	0	0	109.7	L269 E383	L269-Q301 HydrophobicContact CD2-CB 3.87Å; Q301-E383 PolarHBondContact NE2-OE2 3.18Å
302	P	87.4	Confident	91.1	Very high	32 Å²	32	68.4 Å²	68.4	21%	0.208	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-57	146.5	172.5	-25.3	36	0	0	0	111.7	I57 W264 W304	I57-P302 VanDerWaalsContact CD1-CD 3.46Å; I57-P302 HydrophobicContact CD1-CG 3.92Å; W264-P302 HydrophobicContact CH2-CG 3.56Å; W264-P302 HydrophobicContact CZ3-CG 3.58Å; P302-W304 HydrophobicContact CB-CH2 3.61Å; P302-W304 HydrophobicContact CB-CZ2 3.96Å; P302-W304 HydrophobicContact CB-CZ3 4.02Å; P302-W304 HydrophobicContact CG-CH2 4.47Å
303	S	83.2	Confident	91	Very high	75 Å²	75	67 Å²	67	52%	0.524	36%	0.36	S	S	.	.			trans	-137	144	173.2	56.7	0	0	0	0	109.8
304	W	86.7	Confident	91.1	Very high	16 Å²	16	61 Å²	61	6%	0.061	33%	0.332	C	S	.	.			trans	-115	79	-176.3	-68.8	-85.6	0	0	0	109.9	L60 H229 D230 P302 D306 E383 G385 I386	L60-W304 HydrophobicContact CB-CH2 3.48Å; L60-W304 VanDerWaalsContact CB-CH2 3.48Å; L60-W304 HydrophobicContact CB-CZ2 3.34Å; L60-W304 HydrophobicContact CB-CZ3 4.31Å; L60-W304 HydrophobicContact CD1-CD2 4.27Å; L60-W304 HydrophobicContact CD1-CE3 4.09Å; L60-W304 HydrophobicContact CD1-CH2 3.97Å; L60-W304 HydrophobicContact CD1-CZ2 4.18Å; L60-W304 HydrophobicContact CD1-CZ3 3.94Å; L60-W304 HydrophobicContact CG-CH2 4.38Å; L60-W304 HydrophobicContact CG-CZ2 4.34Å; H229-W304 AromaticContact CE1-CD1 3.65Å; D230-W304 PolarHBondContact OD2-NE1 2.81Å; P302-W304 HydrophobicContact CB-CH2 3.61Å; P302-W304 HydrophobicContact CB-CZ2 3.96Å; P302-W304 HydrophobicContact CB-CZ3 4.02Å; P302-W304 HydrophobicContact CG-CH2 4.47Å; W304-D306 VanDerWaalsContact C-N 3.31Å; W304-E383 HydrophobicContact CE3-CB 4.08Å; W304-E383 HydrophobicContact CE3-CG 3.66Å; W304-E383 HydrophobicContact CZ3-CB 4.32Å; W304-E383 HydrophobicContact CZ3-CG 3.75Å; W304-G385 WeakPolarHBondContact O-CA 3.36Å; W304-I386 HydrophobicContact CB-CD1 4Å; W304-I386 HydrophobicContact CB-CG1 4.13Å; W304-I386 HydrophobicContact CG-CD1 4.12Å
305	N	82.4	Confident	91.1	Very high	143 Å²	143	64.2 Å²	64.2	77%	0.765	35%	0.346	S	S	*	.			trans	-75.7	-19	-178.6	-66.3	-41.6	0	0	0	113.3
306	D	85.5	Confident	91.1	Very high	74 Å²	74	61.8 Å²	61.8	40%	0.396	33%	0.332	S	S	.	.	S	Bend	trans	-84.4	139.3	172.6	69.8	-54.9	0	0	0	111.2	K226 H229 W304	K226-D306 IonicContact NZ-OD2 2.65Å; K226-D306 PolarHBondContact NZ-OD2 3.02Å; H229-D306 IonicContact CD2-OD2 3.14Å; H229-D306 PolarHBondContact CD2-OD2 3.07Å; H229-D306 PolarHBondContact NE2-O 3.32Å; H229-D306 VanDerWaalsContact NE2-O 3.07Å; H229-D306 IonicContact NE2-OD1 3.04Å; H229-D306 IonicContact NE2-OD2 3.33Å; W304-D306 VanDerWaalsContact C-N 3.31Å
307	T	88.7	Confident	91.2	Very high	60 Å²	60	59.6 Å²	59.6	37%	0.368	32%	0.32	S	S	.	.			trans	-72.1	137.4	177	177.4	0	0	0	0	110.4	W309	T307-W309 PolarHBondContact O-N 3.27Å; T307-W309 PolarHBondContact OG1-N 2.82Å
308	P	92.9	Very high	91.3	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.307	C	S	.	.	S	Bend	trans	-71.9	-7.2	168.2	27.2	-29.7	0	0	0	112.4	S225 K226 Y231 P310 I386	S225-P308 WeakPolarHBondContact CB-O 3.43Å; K226-P308 VanDerWaalsContact CB-O 3.3Å; K226-P308 WeakPolarHBondContact CB-O 3.11Å; K226-P308 PolarHBondContact N-O 2.83Å; Y231-P308 HydrophobicContact CD1-CB 3.79Å; Y231-P308 HydrophobicContact CD1-CG 3.96Å; Y231-P308 HydrophobicContact CG-CB 4.05Å; Y231-P308 HydrophobicContact CG-CG 4.15Å; P308-P310 VanDerWaalsContact C-CD 3.42Å; P308-P310 VanDerWaalsContact O-CD 3.28Å; P308-P310 WeakPolarHBondContact O-CD 2.94Å; P308-I386 HydrophobicContact CG-CG1 4.28Å; P308-I386 HydrophobicContact CG-CG2 4.02Å
309	W	94.2	Very high	91.4	Very high	6 Å²	6	54.2 Å²	54.2	2%	0.023	29%	0.292	C	S	.	.			trans	-120.8	72	-178.2	-48.1	-63.6	0	0	0	112.3	S225 Y231 T307 C313 L314 M332 P334 I386 Y388	S225-W309 PolarHBondContact OG-NE1 3.09Å; Y231-W309 HydrophobicContact CD1-CZ2 4.2Å; Y231-W309 HydrophobicContact CE1-CH2 4.49Å; Y231-W309 AromaticContact CE1-CZ2 3.57Å; Y231-W309 HydrophobicContact CE1-CZ2 3.57Å; T307-W309 PolarHBondContact O-N 3.27Å; T307-W309 PolarHBondContact OG1-N 2.82Å; W309-C313 HydrophobicContact CB-CB 4.46Å; W309-L314 HydrophobicContact CB-CD2 3.96Å; W309-M332 HydrophobicContact CD2-CE 4.09Å; W309-M332 HydrophobicContact CG-CE 4.3Å; W309-M332 HydrophobicContact CZ2-CE 4.21Å; W309-P334 HydrophobicContact CB-CG 3.77Å; W309-P334 HydrophobicContact CD2-CB 4.41Å; W309-P334 HydrophobicContact CD2-CG 3.87Å; W309-P334 HydrophobicContact CE3-CB 3.64Å; W309-P334 HydrophobicContact CE3-CG 3.61Å; W309-P334 HydrophobicContact CG-CG 3.99Å; W309-P334 HydrophobicContact CZ3-CB 4.28Å; W309-I386 HydrophobicContact CH2-CG2 3.64Å; W309-I386 HydrophobicContact CZ2-CG2 4.36Å; W309-I386 HydrophobicContact CZ3-CG2 4.29Å; W309-Y388 AromaticContact CH2-CD1 3.41Å; W309-Y388 HydrophobicContact CH2-CD1 3.41Å; W309-Y388 VanDerWaalsContact CH2-CD1 3.41Å; W309-Y388 HydrophobicContact CH2-CE1 4.05Å; W309-Y388 HydrophobicContact CH2-CG 4.34Å; W309-Y388 AromaticContact CZ2-CD1 3.76Å; W309-Y388 HydrophobicContact CZ2-CD1 3.76Å; W309-Y388 HydrophobicContact CZ2-CE1 4.06Å; W309-Y388 HydrophobicContact CZ3-CD1 4.26Å
310	P	92.7	Very high	91.7	Very high	40 Å²	40	53.2 Å²	53.2	26%	0.26	29%	0.286	S	S	.	.			trans	-64.4	165.9	166.5	30	-35.5	0	0	0	110.9	K226 P308 I312 C313	K226-P310 HydrophobicContact CB-CG 3.98Å; K226-P310 HydrophobicContact CD-CG 4.14Å; K226-P310 HydrophobicContact CG-CG 4.13Å; P308-P310 VanDerWaalsContact C-CD 3.42Å; P308-P310 VanDerWaalsContact O-CD 3.28Å; P308-P310 WeakPolarHBondContact O-CD 2.94Å; P310-I312 HydrophobicContact CB-CG2 4.43Å; P310-I312 HydrophobicContact CG-CG2 3.88Å; P310-I312 PolarHBondContact O-N 2.91Å; P310-C313 WeakPolarHBondContact O-CB 2.85Å; P310-C313 PolarHBondContact O-N 3.18Å
311	D	91.9	Very high	92	Very high	127 Å²	127	47.9 Å²	47.9	68%	0.679	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-48.1	-32.6	-175.7	-67.5	-8.1	0	0	0	115.3	C313 L314	D311-C313 PolarHBondContact O-N 3.4Å; D311-L314 PolarHBondContact O-N 3Å; D311-L314 VanDerWaalsContact O-N 3.14Å
312	I	92.3	Very high	92.3	Very high	132 Å²	132	44.4 Å²	44.4	68%	0.677	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-65.4	-25.1	177.6	-170	165.3	0	0	0	113.5	P310 K316	P310-I312 HydrophobicContact CB-CG2 4.43Å; P310-I312 HydrophobicContact CG-CG2 3.88Å; P310-I312 PolarHBondContact O-N 2.91Å; I312-K316 WeakPolarHBondContact O-CE 3.38Å
313	C	93.9	Very high	92.3	Very high	13 Å²	13	45 Å²	45	9%	0.088	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-88.3	-13.2	175.9	-64.2	0	0	0	0	112.5	W309 P310 D311 K316 R466	W309-C313 HydrophobicContact CB-CB 4.46Å; P310-C313 WeakPolarHBondContact O-CB 2.85Å; P310-C313 PolarHBondContact O-N 3.18Å; D311-C313 PolarHBondContact O-N 3.4Å; C313-K316 WeakPolarHBondContact O-CG 3.11Å; C313-R466 WeakPolarHBondContact O-CD 3.3Å; C313-R466 VanDerWaalsContact O-CG 3.23Å; C313-R466 WeakPolarHBondContact O-CG 2.95Å; C313-R466 PolarHBondContact O-NE 3.44Å
314	L	96.1	Very high	92.4	Very high	8 Å²	8	42.2 Å²	42.2	4%	0.042	22%	0.219	C	C	.	.	S	Bend	trans	-93	170.1	-177.8	-52.6	176.3	0	0	0	110.9	W309 D311 K316 P334 D463 R466	W309-L314 HydrophobicContact CB-CD2 3.96Å; D311-L314 PolarHBondContact O-N 3Å; D311-L314 VanDerWaalsContact O-N 3.14Å; L314-K316 PolarHBondContact O-N 3.28Å; L314-P334 HydrophobicContact CD2-CG 3.88Å; L314-D463 WeakPolarHBondContact CB-O 3.22Å; L314-R466 HydrophobicContact CD2-CG 4.18Å
315	K	96.9	Very high	92.3	Very high	69 Å²	69	44 Å²	44	30%	0.3	23%	0.229	S	C	.	.	S	Bend	trans	57.1	34.4	-175.8	-59.2	168	-70.1	-176.5	0	112.3	D463 S465 I494 L499	K315-D463 HydrophobicContact CD-CB 4.42Å; K315-S465 PolarHBondContact N-O 2.85Å; K315-I494 WeakPolarHBondContact O-CG1 3.38Å; K315-I494 PolarHBondContact O-N 3.22Å; K315-L499 HydrophobicContact CB-CD1 4.13Å; K315-L499 HydrophobicContact CD-CD1 3.81Å; K315-L499 HydrophobicContact CG-CD1 3.99Å; K315-L499 HydrophobicContact CG-CD2 4.31Å
316	K	96.4	Very high	92.6	Very high	47 Å²	47	38.6 Å²	38.6	20%	0.204	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	136.9	179.3	-60.9	-60.8	-174.1	176.7	0	111.4	I312 C313 L314 V318 I467 T492 D493	I312-K316 WeakPolarHBondContact O-CE 3.38Å; C313-K316 WeakPolarHBondContact O-CG 3.11Å; L314-K316 PolarHBondContact O-N 3.28Å; K316-V318 HydrophobicContact CB-CG2 4.41Å; K316-I467 PolarHBondContact O-N 2.98Å; K316-T492 CarbonylContact C-O 3.58Å; K316-T492 WeakPolarHBondContact CA-O 2.91Å; K316-D493 WeakPolarHBondContact CD-OD1 3.22Å; K316-D493 VanDerWaalsContact CE-OD1 3.24Å; K316-D493 WeakPolarHBondContact CE-OD1 3.49Å; K316-D493 IonicContact NZ-OD1 3.5Å; K316-D493 PolarHBondContact NZ-OD1 3.28Å; K316-D493 IonicContact NZ-OD2 3.04Å; K316-D493 PolarHBondContact NZ-OD2 3.46Å; K316-D493 VanDerWaalsContact NZ-OD2 3.14Å
317	M	96.4	Very high	93	Very high	8 Å²	8	35.7 Å²	35.7	4%	0.039	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	119.3	164.1	-176.2	75.4	92.8	0	0	108.2	Y319 I403 I407 I467 V469 T492 I494	M317-Y319 HydrophobicContact CB-CE2 4.41Å; M317-Y319 HydrophobicContact CG-CD2 4.33Å; M317-Y319 HydrophobicContact CG-CE1 4.17Å; M317-Y319 HydrophobicContact CG-CE2 3.59Å; M317-I403 HydrophobicContact CE-CG2 4.04Å; M317-I407 HydrophobicContact CE-CD1 4.18Å; M317-I467 CarbonylContact C-O 3.48Å; M317-I467 WeakPolarHBondContact CA-O 3.33Å; M317-I467 HydrophobicContact CE-CG2 4.25Å; M317-I467 HydrophobicContact SD-CB 3.65Å; M317-I467 HydrophobicContact SD-CG2 3.46Å; M317-I467 WeakPolarHBondContact SD-CG2 3.5Å; M317-V469 HydrophobicContact SD-CG2 3.64Å; M317-T492 PolarHBondContact N-O 2.68Å; M317-T492 PolarHBondContact O-N 2.75Å; M317-T492 PolarHBondContact O-OG1 2.9Å; M317-T492 VanDerWaalsContact O-OG1 3.08Å; M317-I494 HydrophobicContact CB-CG1 3.95Å
318	V	97.2	Very high	93.3	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.012	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	109.3	-176.2	-173.1	0	0	0	0	109	L220 L224 K316 V320 I467 F468 V469 Y489 L490 A491	L220-V318 HydrophobicContact CD2-CG1 4.32Å; L224-V318 HydrophobicContact CD1-CB 4.48Å; L224-V318 HydrophobicContact CD1-CG1 3.74Å; L224-V318 HydrophobicContact CD1-CG2 3.89Å; K316-V318 HydrophobicContact CB-CG2 4.41Å; V318-V320 HydrophobicContact CG1-CG2 3.96Å; V318-I467 PolarHBondContact N-O 2.87Å; V318-F468 HydrophobicContact CB-CD1 3.64Å; V318-F468 HydrophobicContact CB-CE1 3.9Å; V318-F468 HydrophobicContact CB-CG 4.24Å; V318-F468 HydrophobicContact CG1-CD1 3.82Å; V318-F468 HydrophobicContact CG1-CE1 3.96Å; V318-F468 HydrophobicContact CG2-CD1 4.17Å; V318-F468 HydrophobicContact CG2-CE1 3.96Å; V318-F468 HydrophobicContact CG2-CZ 4.36Å; V318-F468 CarbonylContact O-C 3.57Å; V318-F468 VanDerWaalsContact O-CA 3.28Å; V318-F468 WeakPolarHBondContact O-CA 3.29Å; V318-V469 PolarHBondContact O-N 2.88Å; V318-Y489 HydrophobicContact CG1-CD2 4.18Å; V318-L490 CarbonylContact C-O 3.57Å; V318-L490 WeakPolarHBondContact CA-O 3.29Å; V318-A491 HydrophobicContact CG2-CB 4.21Å
319	Y	97.6	Very high	93.5	Very high	64 Å²	64	34.6 Å²	34.6	25%	0.251	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	133.4	173.8	-58.7	-83.9	0	0	0	109.2	M317 V469 F474 C478 Y489 L490	M317-Y319 HydrophobicContact CB-CE2 4.41Å; M317-Y319 HydrophobicContact CG-CD2 4.33Å; M317-Y319 HydrophobicContact CG-CE1 4.17Å; M317-Y319 HydrophobicContact CG-CE2 3.59Å; Y319-V469 CarbonylContact C-O 3.6Å; Y319-V469 WeakPolarHBondContact CA-O 3.34Å; Y319-V469 HydrophobicContact CD1-CB 4.05Å; Y319-V469 HydrophobicContact CE1-CB 4.38Å; Y319-V469 HydrophobicContact CE1-CG2 4.41Å; Y319-F474 HydrophobicContact CD1-CD1 4.19Å; Y319-F474 HydrophobicContact CD1-CD2 4.13Å; Y319-F474 AromaticContact CD1-CE1 3.84Å; Y319-F474 HydrophobicContact CD1-CE1 3.84Å; Y319-F474 AromaticContact CD1-CE2 3.77Å; Y319-F474 HydrophobicContact CD1-CE2 3.77Å; Y319-F474 HydrophobicContact CD1-CG 4.33Å; Y319-F474 AromaticContact CD1-CZ 3.61Å; Y319-F474 HydrophobicContact CD1-CZ 3.61Å; Y319-F474 HydrophobicContact CE1-CE1 4.26Å; Y319-F474 HydrophobicContact CE1-CZ 4.11Å; Y319-C478 PolarHBondContact O-SG 2.93Å; Y319-Y489 CarbonylContact O-C 3.39Å; Y319-Y489 WeakPolarHBondContact O-CA 3.39Å; Y319-Y489 VanDerWaalsContact O-CB 3.27Å; Y319-Y489 WeakPolarHBondContact O-CB 3.48Å; Y319-L490 HydrophobicContact CD2-CD2 4.42Å; Y319-L490 PolarHBondContact N-O 2.9Å; Y319-L490 PolarHBondContact O-N 3.01Å
320	V	97.2	Very high	93.6	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.012	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	138.3	-172.3	-174.5	0	0	0	0	109.4	L217 L220 V318 P322 F468 V469 L470 S471 T487	L217-V320 HydrophobicContact CD1-CG2 4.26Å; L220-V320 HydrophobicContact CD2-CB 4.43Å; L220-V320 HydrophobicContact CD2-CG1 4.01Å; L220-V320 HydrophobicContact CD2-CG2 3.54Å; V318-V320 HydrophobicContact CG1-CG2 3.96Å; V320-P322 WeakPolarHBondContact O-CD 3.2Å; V320-F468 HydrophobicContact CG2-CD1 4.38Å; V320-V469 PolarHBondContact N-O 3.38Å; V320-L470 HydrophobicContact CB-CG 4.09Å; V320-L470 HydrophobicContact CG1-CG 4.46Å; V320-L470 WeakPolarHBondContact O-CA 3.49Å; V320-S471 PolarHBondContact O-N 2.75Å; V320-T487 HydrophobicContact CG1-CG2 3.63Å
321	V	96.1	Very high	93.8	Very high	14 Å²	14	32.7 Å²	32.7	9%	0.085	16%	0.163	C	C	.	.			trans	-93.9	103.8	174.6	-175	0	0	0	0	108.9	F474 C478 K488	V321-F474 HydrophobicContact CG2-CB 4.41Å; V321-C478 HydrophobicContact CG2-CB 3.57Å; V321-K488 HydrophobicContact CB-CB 4.09Å; V321-K488 HydrophobicContact CG2-CB 4.08Å; V321-K488 PolarHBondContact N-O 2.68Å
322	P	92.8	Very high	94.1	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	13%	0.131	C	C	.	.			trans	-69.9	154.8	168.8	32.3	-34.8	0	0	0	109.5	D213 V320 N324 I326 L470 S471 K472	D213-P322 WeakPolarHBondContact OD1-CA 3.39Å; D213-P322 WeakPolarHBondContact OD2-CB 3.48Å; V320-P322 WeakPolarHBondContact O-CD 3.2Å; P322-N324 WeakPolarHBondContact CG-O 3.4Å; P322-I326 HydrophobicContact CB-CD1 3.87Å; P322-I326 HydrophobicContact CB-CG1 3.6Å; P322-I326 HydrophobicContact CG-CD1 4.4Å; P322-I326 HydrophobicContact CG-CG1 3.65Å; P322-L470 HydrophobicContact CG-CB 4.39Å; P322-S471 VanDerWaalsContact CD-C 3.42Å; P322-K472 HydrophobicContact CG-CG 4.41Å
323	L	87.5	Confident	94.3	Very high	43 Å²	43	20.5 Å²	20.5	23%	0.225	10%	0.099	C	C	.	.	S	Bend	trans	-77.1	-19	169.9	-64.3	178.9	0	0	0	113.8	L165 Q167 Y168 K472	L165-L323 HydrophobicContact CD2-CD2 3.87Å; Q167-L323 HydrophobicContact CB-CB 3.63Å; Q167-L323 HydrophobicContact CB-CD1 3.36Å; Q167-L323 HydrophobicContact CB-CG 3.94Å; Q167-L323 HydrophobicContact CG-CB 4.23Å; Q167-L323 HydrophobicContact CG-CD1 3.51Å; Q167-L323 HydrophobicContact CG-CG 4.14Å; Y168-L323 HydrophobicContact CE2-CB 3.43Å; Y168-L323 VanDerWaalsContact CE2-CB 3.43Å; Y168-L323 WeakPolarHBondContact OH-CA 3.33Å; Y168-L323 VanDerWaalsContact OH-CB 3.31Å; Y168-L323 WeakPolarHBondContact OH-CB 3.26Å; Y168-L323 PolarHBondContact OH-N 3.34Å; L323-K472 WeakPolarHBondContact O-CE 3.17Å; L323-K472 PolarHBondContact O-NZ 3.41Å
324	N	85.1	Confident	94.3	Very high	18 Å²	18	20.5 Å²	20.5	10%	0.096	10%	0.099	C	C	.	.	S	Bend	trans	-100.5	153.2	-178.1	-103.6	-11.1	0	0	0	105.2	Y168 P322 I326 K472 N630	Y168-N324 HydrophobicContact CD1-CB 3.99Å; Y168-N324 WeakPolarHBondContact CD1-ND2 3.5Å; Y168-N324 HydrophobicContact CD2-CB 3.84Å; Y168-N324 WeakPolarHBondContact CD2-ND2 3.3Å; Y168-N324 WeakPolarHBondContact CD2-OD1 3.23Å; Y168-N324 HydrophobicContact CE1-CB 3.37Å; Y168-N324 WeakPolarHBondContact CE1-ND2 3.22Å; Y168-N324 HydrophobicContact CE2-CB 3.3Å; Y168-N324 WeakPolarHBondContact CE2-OD1 3.34Å; Y168-N324 HydrophobicContact CG-CB 4.18Å; Y168-N324 VanDerWaalsContact CZ-CA 3.45Å; Y168-N324 WeakPolarHBondContact OH-CA 3.43Å; Y168-N324 WeakPolarHBondContact OH-CB 3.14Å; Y168-N324 PolarHBondContact OH-N 2.9Å; P322-N324 WeakPolarHBondContact CG-O 3.4Å; N324-I326 VanDerWaalsContact C-N 3.27Å; N324-I326 HydrophobicContact CB-CG2 4.02Å; N324-I326 PolarHBondContact O-N 3.37Å; N324-K472 WeakPolarHBondContact O-CE 3.3Å; N324-N630 PolarHBondContact OD1-OD1 2.96Å
325	D	85.3	Confident	94.2	Very high	53 Å²	53	20.7 Å²	20.7	28%	0.283	10%	0.1	S	C	.	.	S	Bend	trans	-77.2	88.9	169	-159.1	29.2	0	0	0	109.8	H327 K472 N630	D325-H327 IonicContact OD1-CE1 2.8Å; D325-H327 IonicContact OD1-NE2 3.6Å; D325-K472 HydrophobicContact CB-CD 4.3Å; D325-N630 PolarHBondContact N-OD1 3.48Å; D325-N630 PolarHBondContact O-ND2 2.84Å
326	I	88.4	Confident	93.9	Very high	30 Å²	30	20.6 Å²	20.6	15%	0.154	11%	0.106	C	C	.	.			trans	-126.9	148.3	173.6	60.6	174	0	0	0	110.1	D213 P322 N324 Q328 L470 S471	D213-I326 HydrophobicContact CB-CD1 4.3Å; D213-I326 WeakPolarHBondContact OD2-CD1 3.45Å; P322-I326 HydrophobicContact CB-CD1 3.87Å; P322-I326 HydrophobicContact CB-CG1 3.6Å; P322-I326 HydrophobicContact CG-CD1 4.4Å; P322-I326 HydrophobicContact CG-CG1 3.65Å; N324-I326 VanDerWaalsContact C-N 3.27Å; N324-I326 HydrophobicContact CB-CG2 4.02Å; N324-I326 PolarHBondContact O-N 3.37Å; I326-Q328 HydrophobicContact CD1-CG 4.5Å; I326-L470 HydrophobicContact CD1-CD2 4.13Å; I326-S471 WeakPolarHBondContact O-CA 3.36Å
327	H	93.3	Very high	93.3	Very high	12 Å²	12	20.1 Å²	20.1	6%	0.056	11%	0.106	C	C	.	.			trans	-123.4	109.2	172.3	-52	-73.1	0	0	0	108.2	D325 L395 L397 L470 S471	D325-H327 IonicContact OD1-CE1 2.8Å; D325-H327 IonicContact OD1-NE2 3.6Å; H327-L395 HydrophobicContact CB-CB 3.96Å; H327-L395 PolarHBondContact O-N 3.32Å; H327-L397 VanDerWaalsContact CE1-CD2 3.49Å; H327-L397 WeakPolarHBondContact CE1-CD2 3.43Å; H327-L397 WeakPolarHBondContact NE2-CD2 3.41Å; H327-L470 WeakPolarHBondContact CA-O 3.04Å; H327-S471 PolarHBondContact CE1-OG 3.04Å; H327-S471 PolarHBondContact ND1-OG 2.95Å
328	Q	94.8	Very high	92.8	Very high	38 Å²	38	20.6 Å²	20.6	18%	0.178	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	150.7	-175.3	-65.2	179.2	-29.1	0	0	111	I326 V393 H394 V469 L470	I326-Q328 HydrophobicContact CD1-CG 4.5Å; Q328-V393 CarbonylContact C-O 3.39Å; Q328-V393 VanDerWaalsContact CA-O 3.3Å; Q328-V393 WeakPolarHBondContact CA-O 3.23Å; Q328-H394 PolarHBondContact NE2-CD2 3.06Å; Q328-H394 PolarHBondContact NE2-NE2 2.63Å; Q328-V469 CarbonylContact O-C 3.58Å; Q328-V469 WeakPolarHBondContact O-CA 3.45Å; Q328-L470 HydrophobicContact CB-CB 4.33Å; Q328-L470 PolarHBondContact N-O 3.48Å; Q328-L470 VanDerWaalsContact N-O 3.09Å; Q328-L470 PolarHBondContact O-N 2.99Å
329	M	97.3	Very high	92	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	130.9	170.7	175.6	-175.5	72.9	0	0	110	I331 V393 L395 I403 I406 I407 I410 I467 F468 V469	M329-I331 HydrophobicContact CE-CD1 3.94Å; M329-I331 HydrophobicContact CE-CG1 4.21Å; M329-I331 HydrophobicContact CG-CG1 4.38Å; M329-I331 HydrophobicContact SD-CG1 4.43Å; M329-V393 HydrophobicContact CB-CB 4.35Å; M329-V393 HydrophobicContact CE-CB 4.14Å; M329-V393 HydrophobicContact CE-CG1 4.43Å; M329-V393 HydrophobicContact CE-CG2 3.87Å; M329-V393 PolarHBondContact N-O 3.4Å; M329-V393 WeakPolarHBondContact O-CB 3.39Å; M329-V393 PolarHBondContact O-N 3.26Å; M329-L395 HydrophobicContact CB-CD1 3.91Å; M329-L395 HydrophobicContact CB-CD2 4.47Å; M329-L395 HydrophobicContact CB-CG 4.29Å; M329-I403 HydrophobicContact SD-CG2 3.84Å; M329-I406 HydrophobicContact CE-CB 4.44Å; M329-I406 HydrophobicContact CE-CG2 3.69Å; M329-I407 HydrophobicContact CE-CG1 3.95Å; M329-I407 HydrophobicContact SD-CD1 3.82Å; M329-I407 HydrophobicContact SD-CG1 3.68Å; M329-I410 HydrophobicContact CE-CD1 4.34Å; M329-I467 HydrophobicContact CG-CG2 3.9Å; M329-I467 HydrophobicContact SD-CG2 4.16Å; M329-F468 CarbonylContact C-O 3.58Å; M329-F468 VanDerWaalsContact CA-O 3.24Å; M329-F468 WeakPolarHBondContact CA-O 3.39Å; M329-V469 HydrophobicContact CG-CG2 4.3Å
330	N	96.7	Very high	91.1	Very high	6 Å²	6	24.8 Å²	24.8	3%	0.032	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	123.6	177.5	-59.3	-6.8	0	0	0	109	L217 V391 F392 I467 F468	L217-N330 WeakPolarHBondContact CD2-ND2 3.39Å; N330-V391 WeakPolarHBondContact CA-O 3.38Å; N330-F392 HydrophobicContact CB-CD1 4.29Å; N330-F392 WeakPolarHBondContact ND2-CD1 3.29Å; N330-F392 WeakPolarHBondContact ND2-CE1 3.49Å; N330-F392 WeakPolarHBondContact OD1-CD1 3.44Å; N330-I467 CarbonylContact O-C 3.19Å; N330-I467 WeakPolarHBondContact O-CA 3.42Å; N330-F468 HydrophobicContact CB-CB 4.37Å; N330-F468 PolarHBondContact N-O 2.82Å; N330-F468 PolarHBondContact O-N 2.82Å
331	I	97.4	Very high	90.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	114.9	175.4	-50.7	175.3	0	0	0	108.5	M329 W333 N390 V391 I407 I410 I467	M329-I331 HydrophobicContact CE-CD1 3.94Å; M329-I331 HydrophobicContact CE-CG1 4.21Å; M329-I331 HydrophobicContact CG-CG1 4.38Å; M329-I331 HydrophobicContact SD-CG1 4.43Å; I331-W333 HydrophobicContact CB-CH2 3.76Å; I331-W333 HydrophobicContact CB-CZ2 4.31Å; I331-W333 HydrophobicContact CB-CZ3 3.93Å; I331-W333 HydrophobicContact CD1-CH2 4.42Å; I331-W333 HydrophobicContact CG2-CD2 4.16Å; I331-W333 HydrophobicContact CG2-CE3 4.09Å; I331-W333 HydrophobicContact CG2-CH2 3.25Å; I331-W333 HydrophobicContact CG2-CZ2 3.29Å; I331-W333 HydrophobicContact CG2-CZ3 3.65Å; I331-W333 WeakPolarHBondContact O-CZ3 3.4Å; I331-N390 VanDerWaalsContact C-OD1 3.32Å; I331-N390 PolarHBondContact N-OD1 3.32Å; I331-N390 WeakPolarHBondContact O-CA 3.4Å; I331-N390 PolarHBondContact O-OD1 3.44Å; I331-V391 PolarHBondContact N-O 2.91Å; I331-V391 PolarHBondContact O-N 2.97Å; I331-I407 HydrophobicContact CD1-CG1 3.93Å; I331-I407 HydrophobicContact CD1-CG2 4.48Å; I331-I410 HydrophobicContact CD1-CD1 3.58Å; I331-I467 HydrophobicContact CG1-CG1 4.41Å; I331-I467 HydrophobicContact CG1-CG2 4.28Å; I331-I467 HydrophobicContact CG2-CG1 4.19Å
332	M	96.6	Very high	89.5	Confident	2 Å²	2	31 Å²	31	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	131.1	-175.1	-168.1	-167.7	88.3	0	0	110.7	E221 W309 P334 Y388 L389 S465 R466	E221-M332 HydrophobicContact CG-SD 3.99Å; W309-M332 HydrophobicContact CD2-CE 4.09Å; W309-M332 HydrophobicContact CG-CE 4.3Å; W309-M332 HydrophobicContact CZ2-CE 4.21Å; M332-P334 HydrophobicContact CE-CG 4.43Å; M332-Y388 HydrophobicContact CG-CD2 3.36Å; M332-Y388 HydrophobicContact CG-CE2 3.91Å; M332-Y388 HydrophobicContact CG-CG 3.7Å; M332-Y388 HydrophobicContact SD-CD1 4.19Å; M332-Y388 HydrophobicContact SD-CD2 3.86Å; M332-Y388 HydrophobicContact SD-CE1 4.31Å; M332-Y388 HydrophobicContact SD-CE2 4Å; M332-Y388 HydrophobicContact SD-CG 3.91Å; M332-L389 WeakPolarHBondContact CA-O 3.41Å; M332-S465 CarbonylContact O-C 3.36Å; M332-S465 WeakPolarHBondContact O-CA 3.41Å; M332-R466 HydrophobicContact CB-CB 4.45Å; M332-R466 HydrophobicContact CE-CB 4.25Å; M332-R466 HydrophobicContact CE-CG 4.31Å; M332-R466 PolarHBondContact N-O 2.74Å; M332-R466 PolarHBondContact O-N 3.23Å
333	W	96.9	Very high	88.8	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	119.2	171.6	-64.5	-87.5	0	0	0	110.6	I331 I335 Y388 L389 V391 I410 Y411 I414 L460 N461 N464	I331-W333 HydrophobicContact CB-CH2 3.76Å; I331-W333 HydrophobicContact CB-CZ2 4.31Å; I331-W333 HydrophobicContact CB-CZ3 3.93Å; I331-W333 HydrophobicContact CD1-CH2 4.42Å; I331-W333 HydrophobicContact CG2-CD2 4.16Å; I331-W333 HydrophobicContact CG2-CE3 4.09Å; I331-W333 HydrophobicContact CG2-CH2 3.25Å; I331-W333 HydrophobicContact CG2-CZ2 3.29Å; I331-W333 HydrophobicContact CG2-CZ3 3.65Å; I331-W333 WeakPolarHBondContact O-CZ3 3.4Å; W333-I335 PolarHBondContact O-N 2.93Å; W333-Y388 CarbonylContact O-C 3.43Å; W333-Y388 WeakPolarHBondContact O-CA 3.29Å; W333-Y388 VanDerWaalsContact O-CB 3.26Å; W333-Y388 WeakPolarHBondContact O-CB 3.25Å; W333-L389 HydrophobicContact CE3-CD2 3.72Å; W333-L389 HydrophobicContact CZ3-CD2 3.95Å; W333-L389 PolarHBondContact N-O 3.06Å; W333-L389 PolarHBondContact O-N 3.17Å; W333-V391 HydrophobicContact CH2-CG2 4.34Å; W333-V391 HydrophobicContact CZ3-CB 4.19Å; W333-V391 HydrophobicContact CZ3-CG2 3.78Å; W333-I410 HydrophobicContact CH2-CG2 4.2Å; W333-Y411 AromaticContact CZ2-CE1 3.79Å; W333-Y411 HydrophobicContact CZ2-CE1 3.79Å; W333-I414 HydrophobicContact CH2-CD1 4.22Å; W333-I414 HydrophobicContact CZ2-CD1 4.1Å; W333-L460 HydrophobicContact CB-CD2 3.66Å; W333-L460 HydrophobicContact CD2-CB 4.4Å; W333-L460 HydrophobicContact CD2-CD2 4Å; W333-L460 HydrophobicContact CE3-CD2 4.2Å; W333-L460 HydrophobicContact CG-CB 4.45Å; W333-L460 HydrophobicContact CG-CD2 3.8Å; W333-N461 PolarHBondContact NE1-O 3.15Å; W333-N464 WeakPolarHBondContact CA-O 3.42Å
334	P	94.9	Very high	88.7	Confident	14 Å²	14	30.8 Å²	30.8	9%	0.091	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	133.2	166	-27.4	38	0	0	0	111.4	W309 L314 M332 N464	W309-P334 HydrophobicContact CB-CG 3.77Å; W309-P334 HydrophobicContact CD2-CB 4.41Å; W309-P334 HydrophobicContact CD2-CG 3.87Å; W309-P334 HydrophobicContact CE3-CB 3.64Å; W309-P334 HydrophobicContact CE3-CG 3.61Å; W309-P334 HydrophobicContact CG-CG 3.99Å; W309-P334 HydrophobicContact CZ3-CB 4.28Å; L314-P334 HydrophobicContact CD2-CG 3.88Å; M332-P334 HydrophobicContact CE-CG 4.43Å; P334-N464 VanDerWaalsContact CD-O 3.28Å; P334-N464 WeakPolarHBondContact CD-O 3.42Å; P334-N464 PolarHBondContact O-ND2 3.25Å
335	I	93.7	Very high	88.7	Confident	11 Å²	11	30.3 Å²	30.3	6%	0.056	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	155.2	177.3	63.1	168.1	0	0	0	110.4	W333 Y338 T347 V379 C387 L389 L456 L460	W333-I335 PolarHBondContact O-N 2.93Å; I335-Y338 HydrophobicContact CB-CE2 4.45Å; I335-Y338 HydrophobicContact CD1-CD2 4.38Å; I335-Y338 HydrophobicContact CD1-CE2 4.47Å; I335-T347 HydrophobicContact CD1-CG2 4.19Å; I335-V379 HydrophobicContact CD1-CG1 4.04Å; I335-V379 HydrophobicContact CD1-CG2 4.17Å; I335-C387 HydrophobicContact CG1-CB 4.03Å; I335-C387 PolarHBondContact N-O 3.24Å; I335-C387 WeakPolarHBondContact O-CB 3.27Å; I335-L389 HydrophobicContact CD1-CB 4.26Å; I335-L389 HydrophobicContact CG2-CB 4.31Å; I335-L456 HydrophobicContact CB-CD1 4.12Å; I335-L456 HydrophobicContact CD1-CD1 4.02Å; I335-L456 HydrophobicContact CG2-CD1 3.69Å; I335-L460 HydrophobicContact CG2-CD2 4.21Å
336	P	89.6	Confident	89	Confident	67 Å²	67	27.9 Å²	27.9	44%	0.435	15%	0.152	S	C	.	.			trans	-58.1	162.1	168.9	-23.9	33.9	0	0	0	112.7	Y338	P336-Y338 HydrophobicContact CB-CE2 4.16Å; P336-Y338 HydrophobicContact CG-CE2 4.37Å; P336-Y338 WeakPolarHBondContact O-CD2 3.11Å; P336-Y338 PolarHBondContact O-N 3.39Å
337	D	85.5	Confident	89.1	Confident	37 Å²	37	28 Å²	28	20%	0.198	15%	0.154	C	C	.	.			trans	-74.3	120.6	167.5	-166.8	-5.3	0	0	0	109.9	I339 R381 A384	D337-I339 WeakPolarHBondContact OD1-CB 3.42Å; D337-I339 WeakPolarHBondContact OD1-CG1 3.24Å; D337-I339 PolarHBondContact OD1-N 3.39Å; D337-R381 IonicContact OD1-NE 3.45Å; D337-R381 IonicContact OD2-CZ 3.57Å; D337-R381 IonicContact OD2-NE 2.95Å; D337-R381 PolarHBondContact OD2-NE 3Å; D337-R381 IonicContact OD2-NH2 3.22Å; D337-R381 PolarHBondContact OD2-NH2 2.9Å; D337-A384 WeakPolarHBondContact OD2-CA 3.39Å
338	Y	84.9	Confident	88.9	Confident	18 Å²	18	29 Å²	29	7%	0.071	16%	0.163	C	C	.	.			trans	-99.3	3.5	178.9	-75.8	-95.9	0	0	0	112.8	I335 P336 P340 D341 Y342 A346 T347 L452 L456	I335-Y338 HydrophobicContact CB-CE2 4.45Å; I335-Y338 HydrophobicContact CD1-CD2 4.38Å; I335-Y338 HydrophobicContact CD1-CE2 4.47Å; P336-Y338 HydrophobicContact CB-CE2 4.16Å; P336-Y338 HydrophobicContact CG-CE2 4.37Å; P336-Y338 WeakPolarHBondContact O-CD2 3.11Å; P336-Y338 PolarHBondContact O-N 3.39Å; Y338-P340 VanDerWaalsContact C-CD 3.46Å; Y338-P340 VanDerWaalsContact C-N 3.33Å; Y338-D341 CarbonylContact O-C 3.58Å; Y338-D341 PolarHBondContact O-N 3.43Å; Y338-Y342 PolarHBondContact O-N 2.87Å; Y338-A346 HydrophobicContact CD1-CB 4.46Å; Y338-T347 HydrophobicContact CD2-CG2 4.01Å; Y338-T347 HydrophobicContact CG-CG2 4.1Å; Y338-L452 HydrophobicContact CD1-CD1 3.89Å; Y338-L452 HydrophobicContact CD1-CD2 4.03Å; Y338-L452 HydrophobicContact CD1-CG 3.92Å; Y338-L452 HydrophobicContact CE1-CD1 3.5Å; Y338-L452 HydrophobicContact CE1-CD2 4.32Å; Y338-L452 HydrophobicContact CE1-CG 3.69Å; Y338-L456 HydrophobicContact CE1-CB 4.4Å; Y338-L456 HydrophobicContact CE2-CD1 3.85Å; Y338-L456 WeakPolarHBondContact OH-CA 3.34Å; Y338-L456 WeakPolarHBondContact OH-CB 3.3Å; Y338-L456 PolarHBondContact OH-N 3.21Å
339	I	80	Confident	88.8	Confident	53 Å²	53	27.3 Å²	27.3	27%	0.272	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-52.9	-43.9	174.5	-73.9	-169.8	0	0	0	112.7	M1 D337 D341 Y342	M1-I339 HydrophobicContact CE-CD1 3.35Å; M1-I339 HydrophobicContact CE-CG1 3.67Å; D337-I339 WeakPolarHBondContact OD1-CB 3.42Å; D337-I339 WeakPolarHBondContact OD1-CG1 3.24Å; D337-I339 PolarHBondContact OD1-N 3.39Å; I339-D341 PolarHBondContact O-N 3.5Å; I339-D341 VanDerWaalsContact O-N 3.11Å; I339-Y342 VanDerWaalsContact O-CB 3.28Å; I339-Y342 WeakPolarHBondContact O-CB 3.46Å; I339-Y342 WeakPolarHBondContact O-CD1 3.16Å; I339-Y342 PolarHBondContact O-N 3.36Å
340	P	80.2	Confident	88.7	Confident	102 Å²	102	27.3 Å²	27.3	66%	0.662	16%	0.155	S	C	*	.	G	3₁₀ helix	trans	-58.6	-26.9	179	-26.5	36.5	0	0	0	113.7	Y338	Y338-P340 VanDerWaalsContact C-CD 3.46Å; Y338-P340 VanDerWaalsContact C-N 3.33Å
341	D	82.3	Confident	88.6	Confident	78 Å²	78	28.3 Å²	28.3	42%	0.417	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-105.8	27.1	178.6	-60.2	-67.5	0	0	0	112.2	Y338 I339 T343 A344 L452	Y338-D341 CarbonylContact O-C 3.58Å; Y338-D341 PolarHBondContact O-N 3.43Å; I339-D341 PolarHBondContact O-N 3.5Å; I339-D341 VanDerWaalsContact O-N 3.11Å; D341-T343 PolarHBondContact O-N 2.94Å; D341-A344 WeakPolarHBondContact O-CB 3.3Å; D341-A344 PolarHBondContact O-N 3.4Å; D341-L452 HydrophobicContact CB-CD2 3.62Å
342	Y	76.4	Confident	88.4	Confident	67 Å²	67	30.7 Å²	30.7	26%	0.263	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-54.1	-32.5	-171.7	70.6	-98.7	0	0	0	113.7	Y338 I339 A344 Q345 S441 P442	Y338-Y342 PolarHBondContact O-N 2.87Å; I339-Y342 VanDerWaalsContact O-CB 3.28Å; I339-Y342 WeakPolarHBondContact O-CB 3.46Å; I339-Y342 WeakPolarHBondContact O-CD1 3.16Å; I339-Y342 PolarHBondContact O-N 3.36Å; Y342-A344 PolarHBondContact O-N 2.67Å; Y342-A344 VanDerWaalsContact O-N 3.12Å; Y342-Q345 WeakPolarHBondContact O-CG 3.49Å; Y342-Q345 PolarHBondContact O-N 2.94Å; Y342-S441 WeakPolarHBondContact CE2-O 3.43Å; Y342-S441 PolarHBondContact OH-O 3.34Å; Y342-S441 PolarHBondContact OH-OG 3.09Å; Y342-P442 HydrophobicContact CD1-CB 4.48Å; Y342-P442 HydrophobicContact CD2-CB 4.25Å; Y342-P442 WeakPolarHBondContact CD2-O 3.39Å; Y342-P442 HydrophobicContact CE2-CB 4.44Å; Y342-P442 HydrophobicContact CG-CB 4.26Å
343	T	77.5	Confident	88.4	Confident	38 Å²	38	30.8 Å²	30.8	23%	0.233	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-62.8	-20.8	-177.8	52.1	0	0	0	0	112.5	D341 A445 T446 V447	D341-T343 PolarHBondContact O-N 2.94Å; T343-A445 CarbonylContact O-C 3.52Å; T343-A445 WeakPolarHBondContact O-CA 3.34Å; T343-T446 WeakPolarHBondContact CB-OG1 3.45Å; T343-T446 PolarHBondContact O-N 2.73Å; T343-V447 PolarHBondContact O-N 3.02Å
344	A	85.7	Confident	88.3	Confident	2 Å²	2	30.8 Å²	30.8	2%	0.017	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-87.1	-16	176.7	0	0	0	0	0	114.4	D341 Y342 A346 F427 V447 N449 L452	D341-A344 WeakPolarHBondContact O-CB 3.3Å; D341-A344 PolarHBondContact O-N 3.4Å; Y342-A344 PolarHBondContact O-N 2.67Å; Y342-A344 VanDerWaalsContact O-N 3.12Å; A344-A346 PolarHBondContact O-N 3.05Å; A344-F427 WeakPolarHBondContact O-CE2 3.43Å; A344-V447 WeakPolarHBondContact CA-O 3.45Å; A344-N449 HydrophobicContact CB-CB 3.84Å; A344-L452 HydrophobicContact CB-CD2 3.59Å
345	Q	85.2	Confident	88.3	Confident	9 Å²	9	31.1 Å²	31.1	4%	0.042	18%	0.177	C	C	.	.			trans	44.2	36.6	177.8	-63.6	-156.4	15.3	0	0	114.7	Y342 T347 S348 Y349 N434 L443 A445	Y342-Q345 WeakPolarHBondContact O-CG 3.49Å; Y342-Q345 PolarHBondContact O-N 2.94Å; Q345-T347 PolarHBondContact O-N 3.48Å; Q345-S348 PolarHBondContact O-N 3.23Å; Q345-S348 VanDerWaalsContact O-N 3.17Å; Q345-Y349 PolarHBondContact O-N 3.26Å; Q345-N434 PolarHBondContact OE1-ND2 3.28Å; Q345-L443 PolarHBondContact NE2-O 3.45Å; Q345-A445 HydrophobicContact CB-CB 4.25Å; Q345-A445 VanDerWaalsContact CD-CB 3.5Å; Q345-A445 HydrophobicContact CG-CB 3.78Å; Q345-A445 VanDerWaalsContact NE2-N 3.18Å
346	A	91.5	Very high	88.3	Confident	2 Å²	2	32.1 Å²	32.1	2%	0.017	18%	0.181	C	C	.	.	H	α-helix	trans	-60.2	-35.6	-176.7	0	0	0	0	0	112	Y338 A344 Y349 V350 L452 I453 L456	Y338-A346 HydrophobicContact CD1-CB 4.46Å; A344-A346 PolarHBondContact O-N 3.05Å; A346-Y349 PolarHBondContact O-N 3.13Å; A346-V350 WeakPolarHBondContact O-CG2 3.18Å; A346-V350 PolarHBondContact O-N 3.01Å; A346-L452 HydrophobicContact CB-CB 4.26Å; A346-L452 HydrophobicContact CB-CD2 3.86Å; A346-L452 HydrophobicContact CB-CG 3.82Å; A346-I453 HydrophobicContact CB-CG1 3.95Å; A346-L456 WeakPolarHBondContact O-CD2 3.42Å
347	T	90.8	Very high	88.5	Confident	31 Å²	31	34.3 Å²	34.3	19%	0.19	19%	0.186	C	C	.	.	H	α-helix	trans	-63.4	-52.2	174	46.6	0	0	0	0	111.7	I335 Y338 Q345 Y349 V350 T351 V379 L456	I335-T347 HydrophobicContact CD1-CG2 4.19Å; Y338-T347 HydrophobicContact CD2-CG2 4.01Å; Y338-T347 HydrophobicContact CG-CG2 4.1Å; Q345-T347 PolarHBondContact O-N 3.48Å; T347-Y349 VanDerWaalsContact C-N 3.25Å; T347-Y349 PolarHBondContact O-N 3.07Å; T347-V350 PolarHBondContact O-N 3.17Å; T347-V350 VanDerWaalsContact O-N 3.17Å; T347-T351 WeakPolarHBondContact O-CG2 3.47Å; T347-T351 PolarHBondContact O-N 2.81Å; T347-T351 PolarHBondContact O-OG1 3.18Å; T347-V379 HydrophobicContact CG2-CG2 4.01Å; T347-L456 HydrophobicContact CG2-CD2 4.02Å
348	S	89.4	Confident	88.7	Confident	33 Å²	33	34.5 Å²	34.5	23%	0.231	19%	0.19	C	C	.	.	H	α-helix	trans	-57.9	-37.9	176.7	-50.7	0	0	0	0	112.4	Q345 T351 Y352	Q345-S348 PolarHBondContact O-N 3.23Å; Q345-S348 VanDerWaalsContact O-N 3.17Å; S348-T351 WeakPolarHBondContact CA-OG1 3.45Å; S348-T351 PolarHBondContact O-OG1 2.85Å; S348-Y352 WeakPolarHBondContact O-CB 3.02Å; S348-Y352 PolarHBondContact O-N 2.94Å
349	Y	93.2	Very high	89	Confident	4 Å²	4	43.1 Å²	43.1	2%	0.016	22%	0.222	C	C	.	.	H	α-helix	trans	-60	-48.2	175.9	-169.5	-81.6	0	0	0	112.4	Q345 A346 T347 L353 P422 K423 I426 F427 I430 I453	Q345-Y349 PolarHBondContact O-N 3.26Å; A346-Y349 PolarHBondContact O-N 3.13Å; T347-Y349 VanDerWaalsContact C-N 3.25Å; T347-Y349 PolarHBondContact O-N 3.07Å; Y349-L353 HydrophobicContact CD1-CD1 3.79Å; Y349-L353 HydrophobicContact CE1-CD1 3.33Å; Y349-L353 HydrophobicContact CE1-CG 4.42Å; Y349-L353 PolarHBondContact O-N 3.45Å; Y349-P422 HydrophobicContact CE1-CB 4.26Å; Y349-K423 WeakPolarHBondContact CE2-O 3.36Å; Y349-K423 PolarHBondContact OH-N 2.87Å; Y349-K423 PolarHBondContact OH-O 2.78Å; Y349-I426 HydrophobicContact CD2-CG2 4Å; Y349-I426 HydrophobicContact CE2-CB 3.65Å; Y349-I426 HydrophobicContact CE2-CG2 3.54Å; Y349-F427 HydrophobicContact CD2-CB 4.17Å; Y349-F427 HydrophobicContact CE2-CB 4.17Å; Y349-I430 HydrophobicContact CD2-CD1 4.07Å; Y349-I430 HydrophobicContact CG-CD1 4.41Å; Y349-I453 HydrophobicContact CD1-CD1 3.84Å; Y349-I453 HydrophobicContact CD1-CG1 4.21Å; Y349-I453 HydrophobicContact CD1-CG2 3.65Å; Y349-I453 HydrophobicContact CD2-CD1 3.79Å; Y349-I453 HydrophobicContact CE1-CD1 4.17Å; Y349-I453 HydrophobicContact CE1-CG2 3.93Å; Y349-I453 HydrophobicContact CE2-CD1 4.12Å; Y349-I453 HydrophobicContact CG-CD1 3.64Å; Y349-I453 HydrophobicContact CG-CG1 4.18Å; Y349-I453 HydrophobicContact CG-CG2 4.44Å
350	V	95	Very high	89.6	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-72.9	-41	-178.1	175	0	0	0	0	111.4	A346 T347 L353 L354 L389 I453 L456 L457 L460	A346-V350 WeakPolarHBondContact O-CG2 3.18Å; A346-V350 PolarHBondContact O-N 3.01Å; T347-V350 PolarHBondContact O-N 3.17Å; T347-V350 VanDerWaalsContact O-N 3.17Å; V350-L353 PolarHBondContact O-N 3.19Å; V350-L354 HydrophobicContact CG1-CD1 3.8Å; V350-L354 HydrophobicContact CG1-CG 4.22Å; V350-L354 WeakPolarHBondContact O-CB 3.22Å; V350-L354 WeakPolarHBondContact O-CG 3.38Å; V350-L354 PolarHBondContact O-N 2.94Å; V350-L389 HydrophobicContact CG1-CD1 3.94Å; V350-I453 HydrophobicContact CG2-CG2 4.19Å; V350-L456 HydrophobicContact CB-CD2 3.94Å; V350-L456 HydrophobicContact CG2-CD2 3.72Å; V350-L456 HydrophobicContact CG2-CG 4.17Å; V350-L457 HydrophobicContact CG1-CD2 4.01Å; V350-L457 HydrophobicContact CG2-CD2 3.94Å; V350-L457 HydrophobicContact CG2-CG 4.04Å; V350-L460 HydrophobicContact CG1-CD1 3.74Å
351	T	93.7	Very high	90.4	Very high	27 Å²	27	36.2 Å²	36.2	17%	0.166	18%	0.183	C	C	.	.	H	α-helix	trans	-66.1	-38.7	177.5	58.2	0	0	0	0	111.9	T347 S348 L353 L354 G355 V379 L389	T347-T351 WeakPolarHBondContact O-CG2 3.47Å; T347-T351 PolarHBondContact O-N 2.81Å; T347-T351 PolarHBondContact O-OG1 3.18Å; S348-T351 WeakPolarHBondContact CA-OG1 3.45Å; S348-T351 PolarHBondContact O-OG1 2.85Å; T351-L353 VanDerWaalsContact C-N 3.32Å; T351-L353 PolarHBondContact O-N 3.38Å; T351-L354 PolarHBondContact O-N 3.5Å; T351-G355 PolarHBondContact O-N 3.17Å; T351-V379 HydrophobicContact CG2-CG2 3.88Å; T351-L389 HydrophobicContact CG2-CD1 4.13Å
352	Y	93.2	Very high	91.1	Very high	50 Å²	50	32.6 Å²	32.6	20%	0.196	16%	0.163	C	C	.	.	H	α-helix	trans	-56.4	-45.4	173.4	175.8	-104.6	0	0	0	111.9	S348 H356 I426 E429 I430 P514	S348-Y352 WeakPolarHBondContact O-CB 3.02Å; S348-Y352 PolarHBondContact O-N 2.94Å; Y352-H356 AromaticContact CE1-CD2 3.84Å; Y352-H356 AromaticContact CE2-CD2 3.91Å; Y352-H356 AromaticContact CZ-CD2 3.63Å; Y352-H356 AromaticContact CZ-NE2 3.67Å; Y352-H356 WeakPolarHBondContact O-CB 3.16Å; Y352-H356 PolarHBondContact O-N 3.27Å; Y352-H356 VanDerWaalsContact O-N 3.13Å; Y352-H356 PolarHBondContact OH-NE2 3.15Å; Y352-I426 HydrophobicContact CD1-CG2 3.62Å; Y352-I426 HydrophobicContact CE1-CG2 3.72Å; Y352-E429 PolarHBondContact OH-OE2 3.05Å; Y352-I430 HydrophobicContact CD1-CD1 4.11Å; Y352-I430 HydrophobicContact CD1-CG1 4.31Å; Y352-I430 HydrophobicContact CD2-CG1 4.43Å; Y352-I430 HydrophobicContact CG-CD1 4.04Å; Y352-I430 HydrophobicContact CG-CG1 4.09Å; Y352-P514 HydrophobicContact CE1-CG 4.33Å
353	L	96.1	Very high	92	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.016	15%	0.151	C	C	.	.	H	α-helix	trans	-71.5	-44.4	-179.5	-76.2	172.7	0	0	0	113.3	Y349 V350 T351 H356 Y413 L417 I426 F513 P514	Y349-L353 HydrophobicContact CD1-CD1 3.79Å; Y349-L353 HydrophobicContact CE1-CD1 3.33Å; Y349-L353 HydrophobicContact CE1-CG 4.42Å; Y349-L353 PolarHBondContact O-N 3.45Å; V350-L353 PolarHBondContact O-N 3.19Å; T351-L353 VanDerWaalsContact C-N 3.32Å; T351-L353 PolarHBondContact O-N 3.38Å; L353-H356 WeakPolarHBondContact O-CB 3.28Å; L353-H356 PolarHBondContact O-N 3.07Å; L353-Y413 WeakPolarHBondContact O-CE1 3.34Å; L353-Y413 PolarHBondContact O-OH 3.31Å; L353-Y413 VanDerWaalsContact O-OH 3.11Å; L353-L417 HydrophobicContact CB-CD1 4.09Å; L353-L417 HydrophobicContact CD1-CD1 4.15Å; L353-L417 HydrophobicContact CD1-CD2 3.91Å; L353-I426 HydrophobicContact CD2-CD1 3.82Å; L353-F513 HydrophobicContact CD1-CE1 4.18Å; L353-F513 HydrophobicContact CD2-CD1 4Å; L353-F513 HydrophobicContact CD2-CE1 4.41Å; L353-P514 HydrophobicContact CD2-CG 4.05Å
354	L	96.2	Very high	92.8	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-70.3	-35.6	-179.2	-70	-180	0	0	0	112	V350 T351 L362 L375 C377 L389 V391 Y413 I414 L417 L460	V350-L354 HydrophobicContact CG1-CD1 3.8Å; V350-L354 HydrophobicContact CG1-CG 4.22Å; V350-L354 WeakPolarHBondContact O-CB 3.22Å; V350-L354 WeakPolarHBondContact O-CG 3.38Å; V350-L354 PolarHBondContact O-N 2.94Å; T351-L354 PolarHBondContact O-N 3.5Å; L354-L362 HydrophobicContact CD2-CD1 4.26Å; L354-L375 WeakPolarHBondContact O-CD2 3.23Å; L354-C377 HydrophobicContact CB-CB 3.92Å; L354-L389 HydrophobicContact CD1-CD2 4.05Å; L354-V391 HydrophobicContact CB-CG2 4.47Å; L354-V391 HydrophobicContact CD1-CG2 4.14Å; L354-Y413 HydrophobicContact CD2-CD1 3.76Å; L354-Y413 HydrophobicContact CD2-CE1 4.09Å; L354-I414 HydrophobicContact CD2-CG1 3.98Å; L354-L417 HydrophobicContact CD2-CD1 4.38Å; L354-L460 HydrophobicContact CD1-CD1 3.99Å
355	G	94.4	Very high	93.2	Very high	20 Å²	20	29.9 Å²	29.9	21%	0.206	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	4.7	176.6	0	0	0	0	0	114.9	T351	T351-G355 PolarHBondContact O-N 3.17Å
356	H	94	Very high	93.6	Very high	32 Å²	32	29.4 Å²	29.4	15%	0.148	15%	0.151	C	C	.	.			trans	-65.3	144.8	-175.2	-152.6	-90.2	0	0	0	112	Y352 L353 S358 S361 P514	Y352-H356 AromaticContact CE1-CD2 3.84Å; Y352-H356 AromaticContact CE2-CD2 3.91Å; Y352-H356 AromaticContact CZ-CD2 3.63Å; Y352-H356 AromaticContact CZ-NE2 3.67Å; Y352-H356 WeakPolarHBondContact O-CB 3.16Å; Y352-H356 PolarHBondContact O-N 3.27Å; Y352-H356 VanDerWaalsContact O-N 3.13Å; Y352-H356 PolarHBondContact OH-NE2 3.15Å; L353-H356 WeakPolarHBondContact O-CB 3.28Å; L353-H356 PolarHBondContact O-N 3.07Å; H356-S358 WeakPolarHBondContact CE1-CB 3.47Å; H356-S358 PolarHBondContact CE1-OG 2.98Å; H356-S358 WeakPolarHBondContact ND1-CB 3.47Å; H356-S358 PolarHBondContact ND1-N 2.98Å; H356-S358 PolarHBondContact ND1-OG 2.96Å; H356-S361 WeakPolarHBondContact O-CB 3.37Å; H356-S361 PolarHBondContact O-OG 3.46Å; H356-P514 WeakPolarHBondContact CE1-CB 3.42Å
357	E	93	Very high	93.6	Very high	114 Å²	114	32.2 Å²	32.2	53%	0.533	16%	0.163	S	C	.	.			trans	-110.9	-2.5	-175.1	-58.7	-152.2	-160	0	0	114.9	L363 K367	E357-L363 HydrophobicContact CB-CD2 4.11Å; E357-L363 VanDerWaalsContact CD-CD2 3.46Å; E357-L363 HydrophobicContact CG-CD2 3.55Å; E357-L363 WeakPolarHBondContact OE2-CD2 3.45Å; E357-K367 IonicContact OE2-NZ 3.77Å; E357-K367 PolarHBondContact OE2-NZ 3.39Å
358	S	90.9	Very high	93.5	Very high	41 Å²	41	35.9 Å²	35.9	29%	0.287	18%	0.181	S	C	.	.	S	Bend	trans	-70.6	171	-177.8	69.9	0	0	0	0	114.1	H356 G360 S361 S364	H356-S358 WeakPolarHBondContact CE1-CB 3.47Å; H356-S358 PolarHBondContact CE1-OG 2.98Å; H356-S358 WeakPolarHBondContact ND1-CB 3.47Å; H356-S358 PolarHBondContact ND1-N 2.98Å; H356-S358 PolarHBondContact ND1-OG 2.96Å; S358-G360 PolarHBondContact O-N 3.35Å; S358-S361 WeakPolarHBondContact O-CB 3.4Å; S358-S361 PolarHBondContact O-N 3.43Å; S358-S361 PolarHBondContact O-OG 3.24Å; S358-S364 VanDerWaalsContact O-CB 3.31Å; S358-S364 WeakPolarHBondContact O-CB 3.42Å
359	R	90.5	Very high	93.6	Very high	198 Å²	198	35.5 Å²	35.5	75%	0.747	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	123	174.4	-176.9	-179.7	176.6	-178.4	0.7	111.6	R512	R359-R512 PolarHBondContact O-NE 3.31Å; R359-R512 PolarHBondContact O-NH2 3.44Å
360	G	92.3	Very high	93.4	Very high	9 Å²	9	37 Å²	37	9%	0.093	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.4	1.4	-176.6	0	0	0	0	0	114.1	S358 L511 R512	S358-G360 PolarHBondContact O-N 3.35Å; G360-L511 WeakPolarHBondContact O-CA 3.41Å; G360-R512 PolarHBondContact O-N 2.91Å
361	S	96.2	Very high	93.3	Very high	2 Å²	2	39 Å²	39	1%	0.014	20%	0.199	C	C	.	.	S	Bend	trans	-75.7	165.4	167.1	65.4	0	0	0	0	112.4	H356 S358 L363 S364 L365	H356-S361 WeakPolarHBondContact O-CB 3.37Å; H356-S361 PolarHBondContact O-OG 3.46Å; S358-S361 WeakPolarHBondContact O-CB 3.4Å; S358-S361 PolarHBondContact O-N 3.43Å; S358-S361 PolarHBondContact O-OG 3.24Å; S361-L363 VanDerWaalsContact C-N 3.31Å; S361-L363 PolarHBondContact O-N 3Å; S361-S364 PolarHBondContact O-N 3.05Å; S361-S364 WeakPolarHBondContact OG-CB 3.24Å; S361-S364 PolarHBondContact OG-N 2.94Å; S361-S364 VanDerWaalsContact OG-N 3.08Å; S361-L365 PolarHBondContact O-N 2.96Å
362	L	97.1	Very high	93.3	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	19%	0.192	C	C	.	.	H	α-helix	trans	-52.7	-48	169	-73.1	169.8	0	0	0	111.8	L354 S364 L365 F366 L375 N409 I410 Y413 L511	L354-L362 HydrophobicContact CD2-CD1 4.26Å; L362-S364 VanDerWaalsContact C-N 3.35Å; L362-S364 PolarHBondContact O-N 3.49Å; L362-L365 PolarHBondContact O-N 3.25Å; L362-F366 HydrophobicContact CB-CD2 4.39Å; L362-F366 HydrophobicContact CB-CE2 3.86Å; L362-F366 HydrophobicContact CB-CZ 4.32Å; L362-F366 HydrophobicContact CD2-CE2 4.08Å; L362-F366 HydrophobicContact CD2-CZ 3.74Å; L362-F366 WeakPolarHBondContact O-CD2 3.34Å; L362-F366 WeakPolarHBondContact O-CG 3.43Å; L362-F366 PolarHBondContact O-N 3.45Å; L362-L375 HydrophobicContact CB-CD1 4.05Å; L362-N409 HydrophobicContact CD2-CB 4.46Å; L362-N409 WeakPolarHBondContact CD2-O 3.39Å; L362-I410 HydrophobicContact CD1-CG1 4.14Å; L362-I410 HydrophobicContact CD2-CG1 4.16Å; L362-Y413 HydrophobicContact CD1-CD1 3.54Å; L362-Y413 HydrophobicContact CD1-CE1 4.2Å; L362-Y413 HydrophobicContact CD1-CG 4.1Å; L362-Y413 HydrophobicContact CD2-CD1 4.47Å; L362-Y413 HydrophobicContact CD2-CG 4.2Å; L362-Y413 HydrophobicContact CG-CD1 3.77Å; L362-Y413 HydrophobicContact CG-CE1 4.37Å; L362-Y413 HydrophobicContact CG-CG 3.91Å; L362-L511 HydrophobicContact CD2-CD1 4.19Å; L362-L511 HydrophobicContact CD2-CD2 4.18Å
363	L	95.7	Very high	93	Very high	1 Å²	1	37 Å²	37	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-63.9	-40.4	-178.9	-175.4	58.3	0	0	0	112	E357 S361 F366 K367 V372 L375	E357-L363 HydrophobicContact CB-CD2 4.11Å; E357-L363 VanDerWaalsContact CD-CD2 3.46Å; E357-L363 HydrophobicContact CG-CD2 3.55Å; E357-L363 WeakPolarHBondContact OE2-CD2 3.45Å; S361-L363 VanDerWaalsContact C-N 3.31Å; S361-L363 PolarHBondContact O-N 3Å; L363-F366 PolarHBondContact O-N 3.01Å; L363-K367 HydrophobicContact CD1-CD 4.12Å; L363-K367 HydrophobicContact CD1-CG 3.98Å; L363-K367 HydrophobicContact CD2-CD 4.46Å; L363-K367 HydrophobicContact CG-CD 3.92Å; L363-K367 HydrophobicContact CG-CG 4.22Å; L363-K367 VanDerWaalsContact O-CB 3.27Å; L363-K367 WeakPolarHBondContact O-CB 3.24Å; L363-K367 WeakPolarHBondContact O-CG 3Å; L363-K367 PolarHBondContact O-N 2.64Å; L363-V372 HydrophobicContact CD1-CG1 3.96Å; L363-L375 HydrophobicContact CB-CB 4.24Å; L363-L375 HydrophobicContact CD1-CB 3.84Å; L363-L375 HydrophobicContact CG-CB 4.45Å
364	S	93.7	Very high	92.8	Very high	24 Å²	24	40.5 Å²	40.5	17%	0.168	21%	0.207	C	C	.	.	H	α-helix	trans	-62.3	-43.7	176.5	178.8	0	0	0	0	111.7	S358 S361 L362 N368	S358-S364 VanDerWaalsContact O-CB 3.31Å; S358-S364 WeakPolarHBondContact O-CB 3.42Å; S361-S364 PolarHBondContact O-N 3.05Å; S361-S364 WeakPolarHBondContact OG-CB 3.24Å; S361-S364 PolarHBondContact OG-N 2.94Å; S361-S364 VanDerWaalsContact OG-N 3.08Å; L362-S364 VanDerWaalsContact C-N 3.35Å; L362-S364 PolarHBondContact O-N 3.49Å; S364-N368 WeakPolarHBondContact O-CB 3.39Å; S364-N368 PolarHBondContact O-N 2.99Å; S364-N368 VanDerWaalsContact O-N 3.13Å; S364-N368 PolarHBondContact O-ND2 3.36Å
365	L	94.6	Very high	92.8	Very high	24 Å²	24	40.5 Å²	40.5	13%	0.126	21%	0.207	C	C	.	.	H	α-helix	trans	-60.8	-48.6	177	179.5	64.7	0	0	0	110.7	S361 L362 N368 A369 N409 E510 L511	S361-L365 PolarHBondContact O-N 2.96Å; L362-L365 PolarHBondContact O-N 3.25Å; L365-N368 PolarHBondContact O-N 3.21Å; L365-A369 PolarHBondContact O-N 2.87Å; L365-N409 HydrophobicContact CD2-CB 4.22Å; L365-N409 WeakPolarHBondContact CD2-OD1 3.22Å; L365-E510 HydrophobicContact CD1-CB 4.39Å; L365-E510 WeakPolarHBondContact CD1-OE2 2.86Å; L365-L511 HydrophobicContact CB-CD2 4.23Å; L365-L511 HydrophobicContact CD2-CD1 4.37Å; L365-L511 HydrophobicContact CD2-CD2 3.87Å; L365-L511 HydrophobicContact CD2-CG 4.17Å
366	F	94.9	Very high	92.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-71.5	-34.7	-177	-56	-30.1	0	0	0	113.9	L362 L363 A369 S370 W371 V372 L375 I406 N409 I410	L362-F366 HydrophobicContact CB-CD2 4.39Å; L362-F366 HydrophobicContact CB-CE2 3.86Å; L362-F366 HydrophobicContact CB-CZ 4.32Å; L362-F366 HydrophobicContact CD2-CE2 4.08Å; L362-F366 HydrophobicContact CD2-CZ 3.74Å; L362-F366 WeakPolarHBondContact O-CD2 3.34Å; L362-F366 WeakPolarHBondContact O-CG 3.43Å; L362-F366 PolarHBondContact O-N 3.45Å; L363-F366 PolarHBondContact O-N 3.01Å; F366-A369 PolarHBondContact O-N 3.49Å; F366-S370 PolarHBondContact O-N 2.84Å; F366-W371 HydrophobicContact CD1-CE3 4.11Å; F366-W371 PolarHBondContact O-N 2.97Å; F366-V372 HydrophobicContact CB-CB 3.52Å; F366-V372 HydrophobicContact CB-CG1 4.46Å; F366-V372 HydrophobicContact CB-CG2 3.62Å; F366-V372 HydrophobicContact CD2-CB 4.27Å; F366-V372 HydrophobicContact CD2-CG2 3.89Å; F366-V372 HydrophobicContact CG-CB 4.28Å; F366-V372 HydrophobicContact CG-CG2 3.94Å; F366-V372 PolarHBondContact O-N 3.24Å; F366-L375 HydrophobicContact CD2-CD1 4.05Å; F366-L375 HydrophobicContact CE2-CD1 3.87Å; F366-I406 HydrophobicContact CD2-CG2 4.31Å; F366-I406 HydrophobicContact CE1-CG2 4.25Å; F366-I406 HydrophobicContact CE2-CG2 3.81Å; F366-I406 HydrophobicContact CZ-CB 4.48Å; F366-I406 HydrophobicContact CZ-CG2 3.79Å; F366-N409 HydrophobicContact CE1-CB 3.49Å; F366-N409 VanDerWaalsContact CE1-CB 3.49Å; F366-N409 HydrophobicContact CZ-CB 3.71Å; F366-I410 HydrophobicContact CE2-CD1 4.5Å; F366-I410 HydrophobicContact CE2-CG1 4.13Å; F366-I410 HydrophobicContact CZ-CG1 4.02Å
367	K	90.7	Very high	92.9	Very high	61 Å²	61	41.5 Å²	41.5	27%	0.265	21%	0.212	S	C	.	.	H	α-helix	trans	-63.8	-41.5	172.9	-81.6	178.8	176.3	166.9	0	111	E357 L363 A369 S370 V372 N373	E357-K367 IonicContact OE2-NZ 3.77Å; E357-K367 PolarHBondContact OE2-NZ 3.39Å; L363-K367 HydrophobicContact CD1-CD 4.12Å; L363-K367 HydrophobicContact CD1-CG 3.98Å; L363-K367 HydrophobicContact CD2-CD 4.46Å; L363-K367 HydrophobicContact CG-CD 3.92Å; L363-K367 HydrophobicContact CG-CG 4.22Å; L363-K367 VanDerWaalsContact O-CB 3.27Å; L363-K367 WeakPolarHBondContact O-CB 3.24Å; L363-K367 WeakPolarHBondContact O-CG 3Å; L363-K367 PolarHBondContact O-N 2.64Å; K367-A369 VanDerWaalsContact C-N 3.29Å; K367-A369 PolarHBondContact O-N 3.42Å; K367-S370 PolarHBondContact O-N 3.32Å; K367-S370 VanDerWaalsContact O-N 3.09Å; K367-V372 WeakPolarHBondContact CG-O 3.45Å; K367-N373 WeakPolarHBondContact CE-O 3.19Å
368	N	89.3	Confident	92.9	Very high	107 Å²	107	39 Å²	39	57%	0.572	20%	0.202	S	C	*	.	H	α-helix	trans	-64.8	-31.9	177.5	-73.7	-19.2	0	0	0	112.9	S364 L365 S370	S364-N368 WeakPolarHBondContact O-CB 3.39Å; S364-N368 PolarHBondContact O-N 2.99Å; S364-N368 VanDerWaalsContact O-N 3.13Å; S364-N368 PolarHBondContact O-ND2 3.36Å; L365-N368 PolarHBondContact O-N 3.21Å; N368-S370 VanDerWaalsContact C-N 3.28Å
369	A	90.8	Very high	92.9	Very high	26 Å²	26	39.4 Å²	39.4	22%	0.215	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-4.2	174.8	0	0	0	0	0	114	L365 F366 K367 W371 K398	L365-A369 PolarHBondContact O-N 2.87Å; F366-A369 PolarHBondContact O-N 3.49Å; K367-A369 VanDerWaalsContact C-N 3.29Å; K367-A369 PolarHBondContact O-N 3.42Å; A369-W371 VanDerWaalsContact C-N 3.25Å; A369-W371 HydrophobicContact CB-CD2 3.56Å; A369-W371 HydrophobicContact CB-CE3 3.99Å; A369-W371 HydrophobicContact CB-CG 3.83Å; A369-W371 HydrophobicContact CB-CH2 4.49Å; A369-W371 HydrophobicContact CB-CZ2 4.11Å; A369-W371 HydrophobicContact CB-CZ3 4.43Å; A369-W371 VanDerWaalsContact O-CD1 3.25Å; A369-W371 PolarHBondContact O-N 3.3Å; A369-K398 PolarHBondContact O-NZ 3.07Å
370	S	90	Very high	92.8	Very high	36 Å²	36	32.1 Å²	32.1	25%	0.252	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	32	-172.6	-33.9	0	0	0	0	113.3	F366 K367 N368 T396	F366-S370 PolarHBondContact O-N 2.84Å; K367-S370 PolarHBondContact O-N 3.32Å; K367-S370 VanDerWaalsContact O-N 3.09Å; N368-S370 VanDerWaalsContact C-N 3.28Å; S370-T396 WeakPolarHBondContact O-CG2 3.22Å; S370-T396 PolarHBondContact O-OG1 2.75Å
371	W	93.1	Very high	92.4	Very high	42 Å²	42	35.7 Å²	35.7	16%	0.159	19%	0.19	C	C	.	.	S	Bend	trans	-94	-35.6	-179.6	-64.5	-16.6	0	0	0	113.2	F366 A369 T396 G399 K402 E405 I406	F366-W371 HydrophobicContact CD1-CE3 4.11Å; F366-W371 PolarHBondContact O-N 2.97Å; A369-W371 VanDerWaalsContact C-N 3.25Å; A369-W371 HydrophobicContact CB-CD2 3.56Å; A369-W371 HydrophobicContact CB-CE3 3.99Å; A369-W371 HydrophobicContact CB-CG 3.83Å; A369-W371 HydrophobicContact CB-CH2 4.49Å; A369-W371 HydrophobicContact CB-CZ2 4.11Å; A369-W371 HydrophobicContact CB-CZ3 4.43Å; A369-W371 VanDerWaalsContact O-CD1 3.25Å; A369-W371 PolarHBondContact O-N 3.3Å; W371-T396 PolarHBondContact O-N 2.65Å; W371-T396 PolarHBondContact O-OG1 2.91Å; W371-G399 WeakPolarHBondContact O-CA 3.35Å; W371-K402 HydrophobicContact CD2-CB 4.1Å; W371-K402 HydrophobicContact CG-CB 4.33Å; W371-K402 HydrophobicContact CZ2-CB 4.35Å; W371-K402 HydrophobicContact CZ2-CD 4.46Å; W371-K402 HydrophobicContact CZ2-CG 4.22Å; W371-E405 HydrophobicContact CH2-CB 3.95Å; W371-E405 HydrophobicContact CZ3-CB 4.08Å; W371-I406 HydrophobicContact CB-CD1 4.15Å; W371-I406 HydrophobicContact CB-CG1 4.34Å; W371-I406 HydrophobicContact CD2-CG1 4.42Å; W371-I406 HydrophobicContact CE3-CG1 3.79Å
372	V	93.2	Very high	91.7	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.006	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	144.2	-172	176.3	0	0	0	0	110.4	L363 F366 K367 Q374 L375 V393 H394 L395 I406	L363-V372 HydrophobicContact CD1-CG1 3.96Å; F366-V372 HydrophobicContact CB-CB 3.52Å; F366-V372 HydrophobicContact CB-CG1 4.46Å; F366-V372 HydrophobicContact CB-CG2 3.62Å; F366-V372 HydrophobicContact CD2-CB 4.27Å; F366-V372 HydrophobicContact CD2-CG2 3.89Å; F366-V372 HydrophobicContact CG-CB 4.28Å; F366-V372 HydrophobicContact CG-CG2 3.94Å; F366-V372 PolarHBondContact O-N 3.24Å; K367-V372 WeakPolarHBondContact CG-O 3.45Å; V372-Q374 WeakPolarHBondContact CG1-O 3.3Å; V372-L375 HydrophobicContact CG1-CB 4.46Å; V372-V393 HydrophobicContact CB-CG1 4.05Å; V372-V393 HydrophobicContact CG1-CG1 3.46Å; V372-V393 VanDerWaalsContact CG1-CG1 3.46Å; V372-V393 HydrophobicContact CG2-CG1 3.34Å; V372-H394 CarbonylContact C-O 3.54Å; V372-H394 WeakPolarHBondContact CA-O 3.19Å; V372-H394 WeakPolarHBondContact CG1-O 3.03Å; V372-L395 HydrophobicContact CG2-CD2 4.23Å; V372-I406 HydrophobicContact CG2-CD1 4.03Å; V372-I406 HydrophobicContact CG2-CG1 4.41Å
373	N	86.4	Confident	90.9	Very high	32 Å²	32	37 Å²	37	17%	0.171	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	-39.1	-177.5	-57.3	-40.4	0	0	0	112.6	K367 H394 L395 T396 F619	K367-N373 WeakPolarHBondContact CE-O 3.19Å; N373-H394 HydrophobicContact CB-CB 4.33Å; N373-H394 PolarHBondContact N-O 3.49Å; N373-L395 PolarHBondContact ND2-O 3.17Å; N373-T396 VanDerWaalsContact OD1-CG2 3.32Å; N373-T396 WeakPolarHBondContact OD1-CG2 3.43Å; N373-F619 HydrophobicContact CB-CE1 4.4Å; N373-F619 HydrophobicContact CB-CE2 4.32Å; N373-F619 HydrophobicContact CB-CZ 3.73Å; N373-F619 WeakPolarHBondContact ND2-CE2 3.3Å; N373-F619 VanDerWaalsContact ND2-CZ 3.3Å; N373-F619 WeakPolarHBondContact ND2-CZ 3.37Å; N373-F619 WeakPolarHBondContact OD1-CE1 2.86Å; N373-F619 WeakPolarHBondContact OD1-CE2 2.92Å; N373-F619 WeakPolarHBondContact OD1-CZ 3.27Å
374	Q	91.9	Very high	89.6	Confident	77 Å²	77	38.4 Å²	38.4	36%	0.36	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	141.3	-177	-175.8	174.2	-1.7	0	0	107.8	V372 T376 H394	V372-Q374 WeakPolarHBondContact CG1-O 3.3Å; Q374-T376 HydrophobicContact CG-CG2 4.17Å; Q374-H394 HydrophobicContact CB-CB 4.12Å; Q374-H394 PolarHBondContact O-N 3.44Å
375	L	95.2	Very high	88.8	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	126.9	172.9	-175.7	157.4	0	0	0	106.6	L354 L362 L363 F366 V372 V391 F392 V393	L354-L375 WeakPolarHBondContact O-CD2 3.23Å; L362-L375 HydrophobicContact CB-CD1 4.05Å; L363-L375 HydrophobicContact CB-CB 4.24Å; L363-L375 HydrophobicContact CD1-CB 3.84Å; L363-L375 HydrophobicContact CG-CB 4.45Å; F366-L375 HydrophobicContact CD2-CD1 4.05Å; F366-L375 HydrophobicContact CE2-CD1 3.87Å; V372-L375 HydrophobicContact CG1-CB 4.46Å; L375-V391 HydrophobicContact CD1-CG1 4.26Å; L375-V391 HydrophobicContact CD2-CG1 4.09Å; L375-V391 HydrophobicContact CG-CG1 4.05Å; L375-F392 CarbonylContact C-O 3.55Å; L375-F392 VanDerWaalsContact CA-O 3.28Å; L375-F392 WeakPolarHBondContact CA-O 3.05Å; L375-V393 HydrophobicContact CD1-CG2 4.22Å; L375-V393 HydrophobicContact CG-CG2 4.29Å
376	T	95.3	Very high	88.5	Confident	54 Å²	54	37.4 Å²	37.4	33%	0.331	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	150.3	175	55.3	0	0	0	0	109.2	Q374 V391 F392	Q374-T376 HydrophobicContact CG-CG2 4.17Å; T376-V391 WeakPolarHBondContact O-CA 3.22Å; T376-F392 PolarHBondContact N-O 3.2Å; T376-F392 PolarHBondContact O-N 3.03Å
377	C	95.8	Very high	88.3	Confident	20 Å²	20	37.6 Å²	37.6	14%	0.135	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	132.5	175.8	-173.8	0	0	0	0	109.5	L354 N390 V391	L354-C377 HydrophobicContact CB-CB 3.92Å; C377-N390 VanDerWaalsContact CA-O 3.28Å; C377-N390 WeakPolarHBondContact CA-O 3.34Å; C377-N390 PolarHBondContact SG-O 3.23Å; C377-V391 HydrophobicContact CB-CG2 4.1Å
378	D	92.5	Very high	88.5	Confident	60 Å²	60	35 Å²	35	32%	0.321	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	171.7	177.1	67.3	23	0	0	0	111.5	N380 L389 N390 F392	D378-N380 PolarHBondContact OD1-ND2 3.35Å; D378-L389 WeakPolarHBondContact O-CA 3.42Å; D378-N390 PolarHBondContact N-O 3.49Å; D378-N390 PolarHBondContact O-N 3.32Å; D378-F392 WeakPolarHBondContact OD1-CE2 3.46Å; D378-F392 WeakPolarHBondContact OD2-CE2 3.5Å
379	V	91.3	Very high	88.8	Confident	51 Å²	51	29.9 Å²	29.9	31%	0.309	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	124.9	168	171.6	0	0	0	0	107.8	I335 T347 T351 Y388 L389	I335-V379 HydrophobicContact CD1-CG1 4.04Å; I335-V379 HydrophobicContact CD1-CG2 4.17Å; T347-V379 HydrophobicContact CG2-CG2 4.01Å; T351-V379 HydrophobicContact CG2-CG2 3.88Å; V379-Y388 WeakPolarHBondContact CA-O 3.28Å; V379-L389 HydrophobicContact CG2-CB 4.28Å; V379-L389 HydrophobicContact CG2-CD1 4.23Å; V379-L389 HydrophobicContact CG2-CG 4.32Å
380	N	88.8	Confident	89	Confident	44 Å²	44	29 Å²	29	24%	0.235	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	111.8	173.4	-87.5	-80.9	0	0	0	108.6	D378 C387 Y388	D378-N380 PolarHBondContact OD1-ND2 3.35Å; N380-C387 WeakPolarHBondContact O-CA 3.19Å; N380-Y388 HydrophobicContact CB-CD1 4.22Å; N380-Y388 HydrophobicContact CB-CD2 3.86Å; N380-Y388 HydrophobicContact CB-CE1 3.85Å; N380-Y388 HydrophobicContact CB-CE2 3.41Å; N380-Y388 VanDerWaalsContact CB-CE2 3.41Å; N380-Y388 HydrophobicContact CB-CG 4.28Å; N380-Y388 VanDerWaalsContact CB-CZ 3.44Å; N380-Y388 PolarHBondContact N-O 3.28Å; N380-Y388 PolarHBondContact O-N 3.31Å
381	R	84.9	Confident	89.3	Confident	85 Å²	85	27.4 Å²	27.4	32%	0.321	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	118.2	170.2	175.7	175.9	-171.6	-76.3	4.2	108.7	D337 E383	D337-R381 IonicContact OD1-NE 3.45Å; D337-R381 IonicContact OD2-CZ 3.57Å; D337-R381 IonicContact OD2-NE 2.95Å; D337-R381 PolarHBondContact OD2-NE 3Å; D337-R381 IonicContact OD2-NH2 3.22Å; D337-R381 PolarHBondContact OD2-NH2 2.9Å; R381-E383 IonicContact CZ-OE1 3.48Å; R381-E383 IonicContact NH1-OE1 3.41Å; R381-E383 PolarHBondContact NH1-OE1 2.95Å; R381-E383 IonicContact NH2-OE1 2.76Å; R381-E383 PolarHBondContact NH2-OE1 3.42Å
382	Q	81.5	Confident	89.5	Confident	17 Å²	17	27.9 Å²	27.9	8%	0.079	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	-40.6	175.7	-53.9	-71.3	-43	0	0	110.2	P107 D108 Y231 I386	P107-Q382 HydrophobicContact CG-CB 4.37Å; D108-Q382 VanDerWaalsContact CG-O 3.31Å; Y231-Q382 HydrophobicContact CE2-CB 4.29Å; Y231-Q382 HydrophobicContact CE2-CG 3.77Å; Q382-I386 HydrophobicContact CB-CB 4.04Å; Q382-I386 HydrophobicContact CB-CG2 3.72Å; Q382-I386 HydrophobicContact CG-CG2 3.88Å; Q382-I386 PolarHBondContact N-O 3.4Å
383	E	78.5	Confident	89.7	Confident	13 Å²	13	27.8 Å²	27.8	6%	0.061	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	175.6	168.5	-173.7	47.1	-74.6	0	0	108.7	L60 D108 Q301 W304 R381 G385 I386	L60-E383 HydrophobicContact CD1-CB 4.4Å; D108-E383 HydrophobicContact CB-CB 4.12Å; D108-E383 HydrophobicContact CB-CG 4.18Å; D108-E383 VanDerWaalsContact CB-OE2 3.29Å; D108-E383 WeakPolarHBondContact CB-OE2 3.21Å; Q301-E383 PolarHBondContact NE2-OE2 3.18Å; W304-E383 HydrophobicContact CE3-CB 4.08Å; W304-E383 HydrophobicContact CE3-CG 3.66Å; W304-E383 HydrophobicContact CZ3-CB 4.32Å; W304-E383 HydrophobicContact CZ3-CG 3.75Å; R381-E383 IonicContact CZ-OE1 3.48Å; R381-E383 IonicContact NH1-OE1 3.41Å; R381-E383 PolarHBondContact NH1-OE1 2.95Å; R381-E383 IonicContact NH2-OE1 2.76Å; R381-E383 PolarHBondContact NH2-OE1 3.42Å; E383-G385 PolarHBondContact O-N 3.18Å; E383-G385 VanDerWaalsContact O-N 3.13Å; E383-I386 CarbonylContact O-C 3.56Å; E383-I386 PolarHBondContact O-N 3.41Å
384	A	69.5	Low	90	Very high	31 Å²	31	28.5 Å²	28.5	26%	0.256	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	116.7	168.6	0	0	0	0	0	110.8	D337	D337-A384 WeakPolarHBondContact OD2-CA 3.39Å
385	G	76.9	Confident	90.1	Very high	28 Å²	28	25.1 Å²	25.1	29%	0.289	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	93	-10.5	-178.2	0	0	0	0	0	115.4	W304 E383	W304-G385 WeakPolarHBondContact O-CA 3.36Å; E383-G385 PolarHBondContact O-N 3.18Å; E383-G385 VanDerWaalsContact O-N 3.13Å
386	I	88.2	Confident	89.9	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	76.1	174.2	-50.7	174.6	0	0	0	108.8	L60 Y231 W304 P308 W309 Q382 E383	L60-I386 HydrophobicContact CD1-CD1 4.11Å; Y231-I386 HydrophobicContact CD2-CD1 4.17Å; Y231-I386 HydrophobicContact CD2-CG2 3.78Å; Y231-I386 HydrophobicContact CE2-CG2 3.84Å; Y231-I386 HydrophobicContact CG-CG2 4.26Å; W304-I386 HydrophobicContact CB-CD1 4Å; W304-I386 HydrophobicContact CB-CG1 4.13Å; W304-I386 HydrophobicContact CG-CD1 4.12Å; P308-I386 HydrophobicContact CG-CG1 4.28Å; P308-I386 HydrophobicContact CG-CG2 4.02Å; W309-I386 HydrophobicContact CH2-CG2 3.64Å; W309-I386 HydrophobicContact CZ2-CG2 4.36Å; W309-I386 HydrophobicContact CZ3-CG2 4.29Å; Q382-I386 HydrophobicContact CB-CB 4.04Å; Q382-I386 HydrophobicContact CB-CG2 3.72Å; Q382-I386 HydrophobicContact CG-CG2 3.88Å; Q382-I386 PolarHBondContact N-O 3.4Å; E383-I386 CarbonylContact O-C 3.56Å; E383-I386 PolarHBondContact O-N 3.41Å
387	C	91.2	Very high	89.6	Confident	4 Å²	4	27 Å²	27	3%	0.027	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	140.8	178.5	-62.5	0	0	0	0	110.7	I335 N380	I335-C387 HydrophobicContact CG1-CB 4.03Å; I335-C387 PolarHBondContact N-O 3.24Å; I335-C387 WeakPolarHBondContact O-CB 3.27Å; N380-C387 WeakPolarHBondContact O-CA 3.19Å
388	Y	93.6	Very high	89.4	Confident	6 Å²	6	31 Å²	31	2%	0.024	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	151.9	170.1	58.5	-93.8	0	0	0	111.2	E221 W309 M332 W333 V379 N380 N390	E221-Y388 PolarHBondContact OE2-OH 2.87Å; W309-Y388 AromaticContact CH2-CD1 3.41Å; W309-Y388 HydrophobicContact CH2-CD1 3.41Å; W309-Y388 VanDerWaalsContact CH2-CD1 3.41Å; W309-Y388 HydrophobicContact CH2-CE1 4.05Å; W309-Y388 HydrophobicContact CH2-CG 4.34Å; W309-Y388 AromaticContact CZ2-CD1 3.76Å; W309-Y388 HydrophobicContact CZ2-CD1 3.76Å; W309-Y388 HydrophobicContact CZ2-CE1 4.06Å; W309-Y388 HydrophobicContact CZ3-CD1 4.26Å; M332-Y388 HydrophobicContact CG-CD2 3.36Å; M332-Y388 HydrophobicContact CG-CE2 3.91Å; M332-Y388 HydrophobicContact CG-CG 3.7Å; M332-Y388 HydrophobicContact SD-CD1 4.19Å; M332-Y388 HydrophobicContact SD-CD2 3.86Å; M332-Y388 HydrophobicContact SD-CE1 4.31Å; M332-Y388 HydrophobicContact SD-CE2 4Å; M332-Y388 HydrophobicContact SD-CG 3.91Å; W333-Y388 CarbonylContact O-C 3.43Å; W333-Y388 WeakPolarHBondContact O-CA 3.29Å; W333-Y388 VanDerWaalsContact O-CB 3.26Å; W333-Y388 WeakPolarHBondContact O-CB 3.25Å; V379-Y388 WeakPolarHBondContact CA-O 3.28Å; N380-Y388 HydrophobicContact CB-CD1 4.22Å; N380-Y388 HydrophobicContact CB-CD2 3.86Å; N380-Y388 HydrophobicContact CB-CE1 3.85Å; N380-Y388 HydrophobicContact CB-CE2 3.41Å; N380-Y388 VanDerWaalsContact CB-CE2 3.41Å; N380-Y388 HydrophobicContact CB-CG 4.28Å; N380-Y388 VanDerWaalsContact CB-CZ 3.44Å; N380-Y388 PolarHBondContact N-O 3.28Å; N380-Y388 PolarHBondContact O-N 3.31Å; Y388-N390 HydrophobicContact CD2-CB 4.14Å; Y388-N390 HydrophobicContact CE2-CB 4.18Å
389	L	96	Very high	89.4	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	134.8	167.8	-176.4	149.1	0	0	0	108.3	M332 W333 I335 V350 T351 L354 D378 V379 V391 L460	M332-L389 WeakPolarHBondContact CA-O 3.41Å; W333-L389 HydrophobicContact CE3-CD2 3.72Å; W333-L389 HydrophobicContact CZ3-CD2 3.95Å; W333-L389 PolarHBondContact N-O 3.06Å; W333-L389 PolarHBondContact O-N 3.17Å; I335-L389 HydrophobicContact CD1-CB 4.26Å; I335-L389 HydrophobicContact CG2-CB 4.31Å; V350-L389 HydrophobicContact CG1-CD1 3.94Å; T351-L389 HydrophobicContact CG2-CD1 4.13Å; L354-L389 HydrophobicContact CD1-CD2 4.05Å; D378-L389 WeakPolarHBondContact O-CA 3.42Å; V379-L389 HydrophobicContact CG2-CB 4.28Å; V379-L389 HydrophobicContact CG2-CD1 4.23Å; V379-L389 HydrophobicContact CG2-CG 4.32Å; L389-V391 HydrophobicContact CD2-CG2 4.28Å; L389-L460 HydrophobicContact CB-CD2 4.22Å; L389-L460 HydrophobicContact CD1-CD1 4.21Å; L389-L460 HydrophobicContact CD1-CD2 4.33Å; L389-L460 HydrophobicContact CD2-CD1 4.28Å; L389-L460 HydrophobicContact CD2-CD2 4.15Å; L389-L460 HydrophobicContact CG-CD2 4.48Å
390	N	95.3	Very high	89.5	Confident	8 Å²	8	27 Å²	27	4%	0.043	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	138.6	-179.9	-159.9	-1.4	0	0	0	111	I331 C377 D378 Y388 F392	I331-N390 VanDerWaalsContact C-OD1 3.32Å; I331-N390 PolarHBondContact N-OD1 3.32Å; I331-N390 WeakPolarHBondContact O-CA 3.4Å; I331-N390 PolarHBondContact O-OD1 3.44Å; C377-N390 VanDerWaalsContact CA-O 3.28Å; C377-N390 WeakPolarHBondContact CA-O 3.34Å; C377-N390 PolarHBondContact SG-O 3.23Å; D378-N390 PolarHBondContact N-O 3.49Å; D378-N390 PolarHBondContact O-N 3.32Å; Y388-N390 HydrophobicContact CD2-CB 4.14Å; Y388-N390 HydrophobicContact CE2-CB 4.18Å; N390-F392 HydrophobicContact CB-CD2 4.23Å; N390-F392 HydrophobicContact CB-CE2 3.65Å; N390-F392 HydrophobicContact CB-CZ 4.12Å; N390-F392 VanDerWaalsContact ND2-CE1 3.35Å; N390-F392 WeakPolarHBondContact ND2-CE1 3.4Å; N390-F392 VanDerWaalsContact ND2-CE2 3.34Å; N390-F392 WeakPolarHBondContact ND2-CE2 3.23Å; N390-F392 WeakPolarHBondContact ND2-CZ 3.24Å
391	V	97.3	Very high	89.8	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.006	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	112.8	168.5	172.7	0	0	0	0	107.7	N330 I331 W333 L354 L375 T376 C377 L389 V393 I410	N330-V391 WeakPolarHBondContact CA-O 3.38Å; I331-V391 PolarHBondContact N-O 2.91Å; I331-V391 PolarHBondContact O-N 2.97Å; W333-V391 HydrophobicContact CH2-CG2 4.34Å; W333-V391 HydrophobicContact CZ3-CB 4.19Å; W333-V391 HydrophobicContact CZ3-CG2 3.78Å; L354-V391 HydrophobicContact CB-CG2 4.47Å; L354-V391 HydrophobicContact CD1-CG2 4.14Å; L375-V391 HydrophobicContact CD1-CG1 4.26Å; L375-V391 HydrophobicContact CD2-CG1 4.09Å; L375-V391 HydrophobicContact CG-CG1 4.05Å; T376-V391 WeakPolarHBondContact O-CA 3.22Å; C377-V391 HydrophobicContact CB-CG2 4.1Å; L389-V391 HydrophobicContact CD2-CG2 4.28Å; V391-V393 HydrophobicContact CG1-CG2 3.9Å; V391-I410 HydrophobicContact CG1-CD1 4.41Å
392	F	96.5	Very high	90.4	Very high	52 Å²	52	31.6 Å²	31.6	23%	0.228	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	129.2	177.3	-61.5	-97.6	0	0	0	109.5	N330 L375 T376 D378 N390	N330-F392 HydrophobicContact CB-CD1 4.29Å; N330-F392 WeakPolarHBondContact ND2-CD1 3.29Å; N330-F392 WeakPolarHBondContact ND2-CE1 3.49Å; N330-F392 WeakPolarHBondContact OD1-CD1 3.44Å; L375-F392 CarbonylContact C-O 3.55Å; L375-F392 VanDerWaalsContact CA-O 3.28Å; L375-F392 WeakPolarHBondContact CA-O 3.05Å; T376-F392 PolarHBondContact N-O 3.2Å; T376-F392 PolarHBondContact O-N 3.03Å; D378-F392 WeakPolarHBondContact OD1-CE2 3.46Å; D378-F392 WeakPolarHBondContact OD2-CE2 3.5Å; N390-F392 HydrophobicContact CB-CD2 4.23Å; N390-F392 HydrophobicContact CB-CE2 3.65Å; N390-F392 HydrophobicContact CB-CZ 4.12Å; N390-F392 VanDerWaalsContact ND2-CE1 3.35Å; N390-F392 WeakPolarHBondContact ND2-CE1 3.4Å; N390-F392 VanDerWaalsContact ND2-CE2 3.34Å; N390-F392 WeakPolarHBondContact ND2-CE2 3.23Å; N390-F392 WeakPolarHBondContact ND2-CZ 3.24Å
393	V	97.1	Very high	91.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	118.1	-175.1	-173.7	0	0	0	0	108.7	Q328 M329 V372 L375 V391 L395 I410	Q328-V393 CarbonylContact C-O 3.39Å; Q328-V393 VanDerWaalsContact CA-O 3.3Å; Q328-V393 WeakPolarHBondContact CA-O 3.23Å; M329-V393 HydrophobicContact CB-CB 4.35Å; M329-V393 HydrophobicContact CE-CB 4.14Å; M329-V393 HydrophobicContact CE-CG1 4.43Å; M329-V393 HydrophobicContact CE-CG2 3.87Å; M329-V393 PolarHBondContact N-O 3.4Å; M329-V393 WeakPolarHBondContact O-CB 3.39Å; M329-V393 PolarHBondContact O-N 3.26Å; V372-V393 HydrophobicContact CB-CG1 4.05Å; V372-V393 HydrophobicContact CG1-CG1 3.46Å; V372-V393 VanDerWaalsContact CG1-CG1 3.46Å; V372-V393 HydrophobicContact CG2-CG1 3.34Å; L375-V393 HydrophobicContact CD1-CG2 4.22Å; L375-V393 HydrophobicContact CG-CG2 4.29Å; V391-V393 HydrophobicContact CG1-CG2 3.9Å; V393-L395 HydrophobicContact CG1-CD2 3.84Å; V393-L395 PolarHBondContact O-N 3.35Å; V393-I410 HydrophobicContact CG2-CD1 4.49Å
394	H	93.5	Very high	91.9	Very high	47 Å²	47	34.7 Å²	34.7	22%	0.218	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	109.8	172.3	-72.3	-164.9	0	0	0	109.4	Q328 V372 N373 Q374	Q328-H394 PolarHBondContact NE2-CD2 3.06Å; Q328-H394 PolarHBondContact NE2-NE2 2.63Å; V372-H394 CarbonylContact C-O 3.54Å; V372-H394 WeakPolarHBondContact CA-O 3.19Å; V372-H394 WeakPolarHBondContact CG1-O 3.03Å; N373-H394 HydrophobicContact CB-CB 4.33Å; N373-H394 PolarHBondContact N-O 3.49Å; Q374-H394 HydrophobicContact CB-CB 4.12Å; Q374-H394 PolarHBondContact O-N 3.44Å
395	L	94	Very high	93.1	Very high	6 Å²	6	36.3 Å²	36.3	3%	0.031	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	153.8	-174.5	-58.9	173	0	0	0	111.4	H327 M329 V372 N373 V393 L400 I403 I406 V469	H327-L395 HydrophobicContact CB-CB 3.96Å; H327-L395 PolarHBondContact O-N 3.32Å; M329-L395 HydrophobicContact CB-CD1 3.91Å; M329-L395 HydrophobicContact CB-CD2 4.47Å; M329-L395 HydrophobicContact CB-CG 4.29Å; V372-L395 HydrophobicContact CG2-CD2 4.23Å; N373-L395 PolarHBondContact ND2-O 3.17Å; V393-L395 HydrophobicContact CG1-CD2 3.84Å; V393-L395 PolarHBondContact O-N 3.35Å; L395-L400 HydrophobicContact CD1-CD1 3.94Å; L395-I403 HydrophobicContact CD1-CG1 4.23Å; L395-I406 HydrophobicContact CD2-CD1 3.55Å; L395-V469 HydrophobicContact CD1-CG1 4.49Å
396	T	90.6	Very high	94.1	Very high	12 Å²	12	35 Å²	35	7%	0.074	17%	0.167	C	C	.	.			trans	-89	171.2	157.3	64	0	0	0	0	109.7	S370 W371 N373 K398 G399 L400 F619	S370-T396 WeakPolarHBondContact O-CG2 3.22Å; S370-T396 PolarHBondContact O-OG1 2.75Å; W371-T396 PolarHBondContact O-N 2.65Å; W371-T396 PolarHBondContact O-OG1 2.91Å; N373-T396 VanDerWaalsContact OD1-CG2 3.32Å; N373-T396 WeakPolarHBondContact OD1-CG2 3.43Å; T396-K398 VanDerWaalsContact C-N 3.27Å; T396-K398 PolarHBondContact O-N 3.14Å; T396-K398 PolarHBondContact OG1-N 3.19Å; T396-G399 CarbonylContact O-C 3.32Å; T396-G399 WeakPolarHBondContact O-CA 3.42Å; T396-G399 PolarHBondContact O-N 3.47Å; T396-G399 PolarHBondContact OG1-N 3.46Å; T396-L400 PolarHBondContact O-N 2.71Å; T396-F619 HydrophobicContact CG2-CD2 3.88Å; T396-F619 HydrophobicContact CG2-CE2 4.02Å
397	L	88.7	Confident	94.5	Very high	82 Å²	82	35 Å²	35	43%	0.429	17%	0.167	S	C	.	.	H	α-helix	trans	-56.3	-42.6	170.7	-72.4	174.1	0	0	0	111.9	H327 G399 L400 E401 E622	H327-L397 VanDerWaalsContact CE1-CD2 3.49Å; H327-L397 WeakPolarHBondContact CE1-CD2 3.43Å; H327-L397 WeakPolarHBondContact NE2-CD2 3.41Å; L397-G399 VanDerWaalsContact C-N 3.31Å; L397-G399 PolarHBondContact O-N 2.81Å; L397-L400 VanDerWaalsContact O-CB 3.26Å; L397-L400 WeakPolarHBondContact O-CB 3.3Å; L397-L400 PolarHBondContact O-N 2.86Å; L397-E401 PolarHBondContact O-N 2.77Å; L397-E622 VanDerWaalsContact CD1-OE1 3.32Å; L397-E622 WeakPolarHBondContact CD1-OE1 3.32Å
398	K	91	Very high	94.8	Very high	104 Å²	104	36.1 Å²	36.1	45%	0.452	17%	0.174	S	C	.	.	H	α-helix	trans	-62.6	-38	172.8	-171.5	-174	-180	-165.3	0	112.1	A369 T396 L400 E401 K402	A369-K398 PolarHBondContact O-NZ 3.07Å; T396-K398 VanDerWaalsContact C-N 3.27Å; T396-K398 PolarHBondContact O-N 3.14Å; T396-K398 PolarHBondContact OG1-N 3.19Å; K398-L400 VanDerWaalsContact C-N 3.29Å; K398-L400 PolarHBondContact O-N 3.35Å; K398-E401 PolarHBondContact O-N 3.08Å; K398-K402 WeakPolarHBondContact O-CG 3.47Å; K398-K402 PolarHBondContact O-N 3.41Å
399	G	93.6	Very high	95	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.6	-33.5	174.8	0	0	0	0	0	113.2	W371 T396 L397 E401 K402 I403	W371-G399 WeakPolarHBondContact O-CA 3.35Å; T396-G399 CarbonylContact O-C 3.32Å; T396-G399 WeakPolarHBondContact O-CA 3.42Å; T396-G399 PolarHBondContact O-N 3.47Å; T396-G399 PolarHBondContact OG1-N 3.46Å; L397-G399 VanDerWaalsContact C-N 3.31Å; L397-G399 PolarHBondContact O-N 2.81Å; G399-E401 VanDerWaalsContact C-N 3.28Å; G399-E401 PolarHBondContact O-N 2.79Å; G399-K402 CarbonylContact O-C 3.56Å; G399-K402 PolarHBondContact O-N 3.15Å; G399-I403 PolarHBondContact O-N 2.69Å
400	L	93.7	Very high	95	Very high	26 Å²	26	36.6 Å²	36.6	14%	0.136	18%	0.177	C	C	.	.	H	α-helix	trans	-63.1	-34.5	176	-162.6	73.7	0	0	0	112.2	L395 T396 L397 K398 K402 I403 V469 T473 F474	L395-L400 HydrophobicContact CD1-CD1 3.94Å; T396-L400 PolarHBondContact O-N 2.71Å; L397-L400 VanDerWaalsContact O-CB 3.26Å; L397-L400 WeakPolarHBondContact O-CB 3.3Å; L397-L400 PolarHBondContact O-N 2.86Å; K398-L400 VanDerWaalsContact C-N 3.29Å; K398-L400 PolarHBondContact O-N 3.35Å; L400-K402 VanDerWaalsContact C-N 3.26Å; L400-K402 PolarHBondContact O-N 3.09Å; L400-I403 HydrophobicContact CD1-CD1 4.12Å; L400-I403 VanDerWaalsContact O-CD1 3.23Å; L400-I403 WeakPolarHBondContact O-CD1 3.4Å; L400-I403 WeakPolarHBondContact O-CG1 3.33Å; L400-V469 HydrophobicContact CD1-CG1 3.97Å; L400-T473 HydrophobicContact CD2-CG2 4.12Å; L400-T473 WeakPolarHBondContact CD2-OG1 3.47Å; L400-F474 HydrophobicContact CD1-CE2 4.44Å; L400-F474 HydrophobicContact CD1-CZ 4.01Å; L400-F474 HydrophobicContact CD2-CZ 4.5Å; L400-F474 HydrophobicContact CG-CZ 4.44Å
401	E	94.8	Very high	95.1	Very high	157 Å²	157	36.3 Å²	36.3	73%	0.734	18%	0.175	S	C	*	.	H	α-helix	trans	-75.9	-15.6	174	-61.1	178.5	175.4	0	0	113.1	L397 K398 G399	L397-E401 PolarHBondContact O-N 2.77Å; K398-E401 PolarHBondContact O-N 3.08Å; G399-E401 VanDerWaalsContact C-N 3.28Å; G399-E401 PolarHBondContact O-N 2.79Å
402	K	96.2	Very high	95.1	Very high	70 Å²	70	37.7 Å²	37.7	30%	0.304	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.6	23.4	-171.6	-62.8	-61.6	-176.8	-169.8	0	113.8	W371 K398 G399 L400 N404 E405 I406	W371-K402 HydrophobicContact CD2-CB 4.1Å; W371-K402 HydrophobicContact CG-CB 4.33Å; W371-K402 HydrophobicContact CZ2-CB 4.35Å; W371-K402 HydrophobicContact CZ2-CD 4.46Å; W371-K402 HydrophobicContact CZ2-CG 4.22Å; K398-K402 WeakPolarHBondContact O-CG 3.47Å; K398-K402 PolarHBondContact O-N 3.41Å; G399-K402 CarbonylContact O-C 3.56Å; G399-K402 PolarHBondContact O-N 3.15Å; L400-K402 VanDerWaalsContact C-N 3.26Å; L400-K402 PolarHBondContact O-N 3.09Å; K402-N404 VanDerWaalsContact C-N 3.32Å; K402-N404 PolarHBondContact O-N 3.02Å; K402-E405 WeakPolarHBondContact CA-OE2 3.19Å; K402-E405 VanDerWaalsContact CD-CD 3.49Å; K402-E405 HydrophobicContact CD-CG 4.42Å; K402-E405 WeakPolarHBondContact CD-OE1 3.13Å; K402-E405 IonicContact NZ-OE1 2.95Å; K402-E405 PolarHBondContact NZ-OE1 3.42Å; K402-E405 PolarHBondContact O-N 2.93Å; K402-I406 WeakPolarHBondContact O-CG1 3.43Å; K402-I406 PolarHBondContact O-N 2.71Å
403	I	96.5	Very high	95.1	Very high	16 Å²	16	35.2 Å²	35.2	8%	0.082	17%	0.171	C	C	.	.	H	α-helix	trans	-54.6	-46.3	-179.3	-73.4	167.1	0	0	0	111.8	M317 M329 L395 G399 L400 E405 I406 I407 V469	M317-I403 HydrophobicContact CE-CG2 4.04Å; M329-I403 HydrophobicContact SD-CG2 3.84Å; L395-I403 HydrophobicContact CD1-CG1 4.23Å; G399-I403 PolarHBondContact O-N 2.69Å; L400-I403 HydrophobicContact CD1-CD1 4.12Å; L400-I403 VanDerWaalsContact O-CD1 3.23Å; L400-I403 WeakPolarHBondContact O-CD1 3.4Å; L400-I403 WeakPolarHBondContact O-CG1 3.33Å; I403-E405 VanDerWaalsContact C-N 3.35Å; I403-E405 PolarHBondContact O-N 2.9Å; I403-I406 PolarHBondContact O-N 2.89Å; I403-I407 HydrophobicContact CG2-CD1 3.52Å; I403-I407 HydrophobicContact CG2-CG1 4.39Å; I403-I407 WeakPolarHBondContact O-CD1 3.32Å; I403-I407 VanDerWaalsContact O-CG1 3.28Å; I403-I407 WeakPolarHBondContact O-CG1 3.16Å; I403-I407 PolarHBondContact O-N 3.23Å; I403-V469 HydrophobicContact CD1-CG1 3.59Å; I403-V469 HydrophobicContact CD1-CG2 4.18Å
404	N	95.7	Very high	95	Very high	78 Å²	78	35.2 Å²	35.2	42%	0.417	17%	0.171	S	C	.	.	H	α-helix	trans	-65.5	-39.1	-177.6	-71.2	-35.8	0	0	0	111.9	K402 T408	K402-N404 VanDerWaalsContact C-N 3.32Å; K402-N404 PolarHBondContact O-N 3.02Å; N404-T408 WeakPolarHBondContact O-CB 3.15Å; N404-T408 PolarHBondContact O-N 2.8Å; N404-T408 PolarHBondContact O-OG1 2.87Å
405	E	95.4	Very high	95.1	Very high	65 Å²	65	34.7 Å²	34.7	30%	0.304	17%	0.17	S	C	.	.	H	α-helix	trans	-67.1	-40.8	175.5	-64.9	93.4	141.2	0	0	111.7	W371 K402 I403 T408 N409	W371-E405 HydrophobicContact CH2-CB 3.95Å; W371-E405 HydrophobicContact CZ3-CB 4.08Å; K402-E405 WeakPolarHBondContact CA-OE2 3.19Å; K402-E405 VanDerWaalsContact CD-CD 3.49Å; K402-E405 HydrophobicContact CD-CG 4.42Å; K402-E405 WeakPolarHBondContact CD-OE1 3.13Å; K402-E405 IonicContact NZ-OE1 2.95Å; K402-E405 PolarHBondContact NZ-OE1 3.42Å; K402-E405 PolarHBondContact O-N 2.93Å; I403-E405 VanDerWaalsContact C-N 3.35Å; I403-E405 PolarHBondContact O-N 2.9Å; E405-T408 PolarHBondContact O-N 2.86Å; E405-N409 PolarHBondContact O-N 3.2Å; E405-N409 PolarHBondContact O-ND2 3.11Å
406	I	97.3	Very high	95.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.5	-51.2	174.5	-66.4	158.8	0	0	0	110.2	M329 F366 W371 V372 L395 K402 I403 T408 N409 I410	M329-I406 HydrophobicContact CE-CB 4.44Å; M329-I406 HydrophobicContact CE-CG2 3.69Å; F366-I406 HydrophobicContact CD2-CG2 4.31Å; F366-I406 HydrophobicContact CE1-CG2 4.25Å; F366-I406 HydrophobicContact CE2-CG2 3.81Å; F366-I406 HydrophobicContact CZ-CB 4.48Å; F366-I406 HydrophobicContact CZ-CG2 3.79Å; W371-I406 HydrophobicContact CB-CD1 4.15Å; W371-I406 HydrophobicContact CB-CG1 4.34Å; W371-I406 HydrophobicContact CD2-CG1 4.42Å; W371-I406 HydrophobicContact CE3-CG1 3.79Å; V372-I406 HydrophobicContact CG2-CD1 4.03Å; V372-I406 HydrophobicContact CG2-CG1 4.41Å; L395-I406 HydrophobicContact CD2-CD1 3.55Å; K402-I406 WeakPolarHBondContact O-CG1 3.43Å; K402-I406 PolarHBondContact O-N 2.71Å; I403-I406 PolarHBondContact O-N 2.89Å; I406-T408 VanDerWaalsContact C-N 3.29Å; I406-T408 PolarHBondContact O-N 3.28Å; I406-N409 PolarHBondContact O-N 2.87Å; I406-I410 HydrophobicContact CG2-CD1 4.08Å; I406-I410 WeakPolarHBondContact O-CG1 3.4Å; I406-I410 PolarHBondContact O-N 3.41Å
407	I	97.3	Very high	95.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.1	-41	179.9	-65.3	161.1	0	0	0	110.8	M317 M329 I331 I403 N409 I410 Y411 I467 W502	M317-I407 HydrophobicContact CE-CD1 4.18Å; M329-I407 HydrophobicContact CE-CG1 3.95Å; M329-I407 HydrophobicContact SD-CD1 3.82Å; M329-I407 HydrophobicContact SD-CG1 3.68Å; I331-I407 HydrophobicContact CD1-CG1 3.93Å; I331-I407 HydrophobicContact CD1-CG2 4.48Å; I403-I407 HydrophobicContact CG2-CD1 3.52Å; I403-I407 HydrophobicContact CG2-CG1 4.39Å; I403-I407 WeakPolarHBondContact O-CD1 3.32Å; I403-I407 VanDerWaalsContact O-CG1 3.28Å; I403-I407 WeakPolarHBondContact O-CG1 3.16Å; I403-I407 PolarHBondContact O-N 3.23Å; I407-N409 PolarHBondContact O-N 3.19Å; I407-I410 WeakPolarHBondContact O-CB 3.49Å; I407-I410 PolarHBondContact O-N 2.85Å; I407-Y411 HydrophobicContact CG2-CD2 3.68Å; I407-Y411 HydrophobicContact CG2-CE2 3.36Å; I407-Y411 WeakPolarHBondContact O-CD2 3.28Å; I407-Y411 PolarHBondContact O-N 3.18Å; I407-I467 HydrophobicContact CD1-CD1 3.69Å; I407-I467 HydrophobicContact CD1-CG2 4.36Å; I407-I467 HydrophobicContact CG1-CD1 4.38Å; I407-I467 HydrophobicContact CG2-CD1 4.4Å; I407-W502 HydrophobicContact CB-CH2 4.48Å; I407-W502 HydrophobicContact CB-CZ2 3.87Å; I407-W502 HydrophobicContact CD1-CH2 3.76Å; I407-W502 HydrophobicContact CD1-CZ2 3.68Å; I407-W502 HydrophobicContact CG1-CZ2 4.4Å; I407-W502 HydrophobicContact CG2-CD2 3.73Å; I407-W502 VanDerWaalsContact CG2-CE2 3.44Å; I407-W502 HydrophobicContact CG2-CE3 4.05Å; I407-W502 HydrophobicContact CG2-CG 4.33Å; I407-W502 HydrophobicContact CG2-CH2 3.91Å; I407-W502 HydrophobicContact CG2-CZ2 3.56Å; I407-W502 HydrophobicContact CG2-CZ3 4.11Å
408	T	96.9	Very high	95.5	Very high	28 Å²	28	33.9 Å²	33.9	17%	0.172	16%	0.16	C	C	.	.	H	α-helix	trans	-55.7	-53.9	175.1	-59.7	0	0	0	0	110	N404 E405 I406 I410 Y411 Q412 W502	N404-T408 WeakPolarHBondContact O-CB 3.15Å; N404-T408 PolarHBondContact O-N 2.8Å; N404-T408 PolarHBondContact O-OG1 2.87Å; E405-T408 PolarHBondContact O-N 2.86Å; I406-T408 VanDerWaalsContact C-N 3.29Å; I406-T408 PolarHBondContact O-N 3.28Å; T408-I410 VanDerWaalsContact C-N 3.27Å; T408-I410 PolarHBondContact O-N 3.13Å; T408-Y411 CarbonylContact O-C 3.37Å; T408-Y411 PolarHBondContact O-N 2.97Å; T408-Q412 HydrophobicContact CG2-CG 4.23Å; T408-Q412 VanDerWaalsContact O-CG 3.29Å; T408-Q412 WeakPolarHBondContact O-CG 3.27Å; T408-Q412 PolarHBondContact O-N 3.09Å; T408-W502 PolarHBondContact OG1-NE1 3.35Å
409	N	96.8	Very high	95.5	Very high	17 Å²	17	32.6 Å²	32.6	9%	0.091	16%	0.164	C	C	.	.	H	α-helix	trans	-58	-36.5	178.5	-76.7	-66.7	0	0	0	113.2	L362 L365 F366 E405 I406 I407 Q412 Y413 N508	L362-N409 HydrophobicContact CD2-CB 4.46Å; L362-N409 WeakPolarHBondContact CD2-O 3.39Å; L365-N409 HydrophobicContact CD2-CB 4.22Å; L365-N409 WeakPolarHBondContact CD2-OD1 3.22Å; F366-N409 HydrophobicContact CE1-CB 3.49Å; F366-N409 VanDerWaalsContact CE1-CB 3.49Å; F366-N409 HydrophobicContact CZ-CB 3.71Å; E405-N409 PolarHBondContact O-N 3.2Å; E405-N409 PolarHBondContact O-ND2 3.11Å; I406-N409 PolarHBondContact O-N 2.87Å; I407-N409 PolarHBondContact O-N 3.19Å; N409-Q412 PolarHBondContact O-N 2.97Å; N409-Q412 PolarHBondContact OD1-OE1 3.25Å; N409-Y413 PolarHBondContact O-N 3.04Å; N409-N508 PolarHBondContact OD1-ND2 3.13Å
410	I	97.3	Very high	95.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-60.3	-47.3	173.6	-67.4	169.9	0	0	0	110.4	M329 I331 W333 L362 F366 V391 V393 I406 I407 T408 Y413 I414	M329-I410 HydrophobicContact CE-CD1 4.34Å; I331-I410 HydrophobicContact CD1-CD1 3.58Å; W333-I410 HydrophobicContact CH2-CG2 4.2Å; L362-I410 HydrophobicContact CD1-CG1 4.14Å; L362-I410 HydrophobicContact CD2-CG1 4.16Å; F366-I410 HydrophobicContact CE2-CD1 4.5Å; F366-I410 HydrophobicContact CE2-CG1 4.13Å; F366-I410 HydrophobicContact CZ-CG1 4.02Å; V391-I410 HydrophobicContact CG1-CD1 4.41Å; V393-I410 HydrophobicContact CG2-CD1 4.49Å; I406-I410 HydrophobicContact CG2-CD1 4.08Å; I406-I410 WeakPolarHBondContact O-CG1 3.4Å; I406-I410 PolarHBondContact O-N 3.41Å; I407-I410 WeakPolarHBondContact O-CB 3.49Å; I407-I410 PolarHBondContact O-N 2.85Å; T408-I410 VanDerWaalsContact C-N 3.27Å; T408-I410 PolarHBondContact O-N 3.13Å; I410-Y413 PolarHBondContact O-N 3.11Å; I410-I414 HydrophobicContact CG2-CD1 3.92Å; I410-I414 WeakPolarHBondContact O-CG1 3.38Å; I410-I414 PolarHBondContact O-N 3.08Å
411	Y	97.4	Very high	95.4	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	20%	0.202	C	C	.	.	H	α-helix	trans	-68.5	-33.7	176.1	-71.5	-57.9	0	0	0	113.3	W333 I407 T408 Y413 I414 N415 P462 W502	W333-Y411 AromaticContact CZ2-CE1 3.79Å; W333-Y411 HydrophobicContact CZ2-CE1 3.79Å; I407-Y411 HydrophobicContact CG2-CD2 3.68Å; I407-Y411 HydrophobicContact CG2-CE2 3.36Å; I407-Y411 WeakPolarHBondContact O-CD2 3.28Å; I407-Y411 PolarHBondContact O-N 3.18Å; T408-Y411 CarbonylContact O-C 3.37Å; T408-Y411 PolarHBondContact O-N 2.97Å; Y411-Y413 VanDerWaalsContact C-N 3.28Å; Y411-Y413 PolarHBondContact O-N 2.71Å; Y411-I414 HydrophobicContact CD1-CD1 4.1Å; Y411-I414 HydrophobicContact CE1-CD1 4.4Å; Y411-I414 PolarHBondContact O-N 3.37Å; Y411-N415 VanDerWaalsContact O-CB 3.31Å; Y411-N415 WeakPolarHBondContact O-CB 3.43Å; Y411-N415 VanDerWaalsContact O-CG 3.22Å; Y411-N415 PolarHBondContact O-N 3.27Å; Y411-N415 PolarHBondContact O-ND2 2.94Å; Y411-P462 HydrophobicContact CD1-CG 4.14Å; Y411-P462 HydrophobicContact CD2-CG 4.22Å; Y411-P462 HydrophobicContact CE1-CG 3.87Å; Y411-P462 HydrophobicContact CE2-CB 4.32Å; Y411-P462 HydrophobicContact CE2-CG 3.9Å; Y411-P462 HydrophobicContact CG-CG 4.33Å; Y411-P462 WeakPolarHBondContact OH-CA 3.47Å; Y411-W502 HydrophobicContact CD2-CB 3.58Å; Y411-W502 HydrophobicContact CD2-CD2 4.2Å; Y411-W502 AromaticContact CD2-CG 3.74Å; Y411-W502 HydrophobicContact CD2-CG 3.74Å; Y411-W502 HydrophobicContact CE2-CB 3.85Å; Y411-W502 AromaticContact CE2-CD2 3.91Å; Y411-W502 HydrophobicContact CE2-CD2 3.91Å; Y411-W502 AromaticContact CE2-CE3 3.87Å; Y411-W502 HydrophobicContact CE2-CE3 3.87Å; Y411-W502 AromaticContact CE2-CG 3.91Å; Y411-W502 HydrophobicContact CE2-CG 3.91Å; Y411-W502 HydrophobicContact CG-CB 4.39Å
412	Q	96.3	Very high	95.4	Very high	30 Å²	30	33.2 Å²	33.2	14%	0.14	17%	0.169	C	C	.	.	H	α-helix	trans	-60.2	-40.5	172.1	-62.6	-174.5	-52.4	0	0	111.2	T408 N409 M416 S506 N508 L511	T408-Q412 HydrophobicContact CG2-CG 4.23Å; T408-Q412 VanDerWaalsContact O-CG 3.29Å; T408-Q412 WeakPolarHBondContact O-CG 3.27Å; T408-Q412 PolarHBondContact O-N 3.09Å; N409-Q412 PolarHBondContact O-N 2.97Å; N409-Q412 PolarHBondContact OD1-OE1 3.25Å; Q412-M416 PolarHBondContact O-N 3.14Å; Q412-S506 VanDerWaalsContact CB-O 3.28Å; Q412-S506 WeakPolarHBondContact CB-O 3.32Å; Q412-S506 WeakPolarHBondContact CG-O 3.23Å; Q412-S506 PolarHBondContact NE2-O 3.06Å; Q412-N508 HydrophobicContact CB-CB 4.1Å; Q412-N508 PolarHBondContact OE1-ND2 2.79Å; Q412-L511 HydrophobicContact CB-CD1 4.45Å
413	Y	96.8	Very high	95.3	Very high	1 Å²	1	33 Å²	33	0%	0.004	17%	0.168	C	C	.	.	H	α-helix	trans	-69	-46.6	175.5	-168.9	-120.2	0	0	0	112.3	L353 L354 L362 N409 I410 Y411 N415 M416 L417 L511	L353-Y413 WeakPolarHBondContact O-CE1 3.34Å; L353-Y413 PolarHBondContact O-OH 3.31Å; L353-Y413 VanDerWaalsContact O-OH 3.11Å; L354-Y413 HydrophobicContact CD2-CD1 3.76Å; L354-Y413 HydrophobicContact CD2-CE1 4.09Å; L362-Y413 HydrophobicContact CD1-CD1 3.54Å; L362-Y413 HydrophobicContact CD1-CE1 4.2Å; L362-Y413 HydrophobicContact CD1-CG 4.1Å; L362-Y413 HydrophobicContact CD2-CD1 4.47Å; L362-Y413 HydrophobicContact CD2-CG 4.2Å; L362-Y413 HydrophobicContact CG-CD1 3.77Å; L362-Y413 HydrophobicContact CG-CE1 4.37Å; L362-Y413 HydrophobicContact CG-CG 3.91Å; N409-Y413 PolarHBondContact O-N 3.04Å; I410-Y413 PolarHBondContact O-N 3.11Å; Y411-Y413 VanDerWaalsContact C-N 3.28Å; Y411-Y413 PolarHBondContact O-N 2.71Å; Y413-N415 PolarHBondContact O-N 3.13Å; Y413-M416 HydrophobicContact CD2-CE 3.59Å; Y413-M416 HydrophobicContact CD2-SD 4.34Å; Y413-M416 HydrophobicContact CE2-CE 3.4Å; Y413-M416 VanDerWaalsContact CE2-CE 3.4Å; Y413-M416 HydrophobicContact CE2-SD 4.5Å; Y413-M416 WeakPolarHBondContact O-CB 3.42Å; Y413-M416 PolarHBondContact O-N 3.25Å; Y413-M416 VanDerWaalsContact O-N 3.13Å; Y413-L417 HydrophobicContact CD1-CD1 4.05Å; Y413-L417 HydrophobicContact CD1-CG 4.47Å; Y413-L417 HydrophobicContact CE1-CD1 3.85Å; Y413-L417 HydrophobicContact CE1-CG 4.38Å; Y413-L417 WeakPolarHBondContact O-CG 3.34Å; Y413-L417 PolarHBondContact O-N 2.92Å; Y413-L511 HydrophobicContact CD2-CB 3.86Å; Y413-L511 HydrophobicContact CD2-CD1 4.31Å; Y413-L511 HydrophobicContact CD2-CD2 4.4Å; Y413-L511 HydrophobicContact CD2-CG 4.41Å; Y413-L511 HydrophobicContact CE2-CB 4.46Å
414	I	96.1	Very high	95.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-57.6	-40.6	175.2	-68.2	165.8	0	0	0	110.7	W333 L354 I410 Y411 L417 R418 L460	W333-I414 HydrophobicContact CH2-CD1 4.22Å; W333-I414 HydrophobicContact CZ2-CD1 4.1Å; L354-I414 HydrophobicContact CD2-CG1 3.98Å; I410-I414 HydrophobicContact CG2-CD1 3.92Å; I410-I414 WeakPolarHBondContact O-CG1 3.38Å; I410-I414 PolarHBondContact O-N 3.08Å; Y411-I414 HydrophobicContact CD1-CD1 4.1Å; Y411-I414 HydrophobicContact CE1-CD1 4.4Å; Y411-I414 PolarHBondContact O-N 3.37Å; I414-L417 PolarHBondContact O-N 3.41Å; I414-R418 HydrophobicContact CG2-CG 4.47Å; I414-R418 WeakPolarHBondContact O-CG 3.35Å; I414-R418 PolarHBondContact O-N 2.92Å; I414-L460 HydrophobicContact CD1-CB 4.15Å; I414-L460 HydrophobicContact CG2-CB 4.29Å
415	N	94.2	Very high	94.9	Very high	35 Å²	35	39.4 Å²	39.4	19%	0.187	19%	0.186	C	C	.	.	H	α-helix	trans	-66.8	-38.3	177.7	-74.1	-16.4	0	0	0	112.4	Y411 Y413 L417 R418 S419 S505	Y411-N415 VanDerWaalsContact O-CB 3.31Å; Y411-N415 WeakPolarHBondContact O-CB 3.43Å; Y411-N415 VanDerWaalsContact O-CG 3.22Å; Y411-N415 PolarHBondContact O-N 3.27Å; Y411-N415 PolarHBondContact O-ND2 2.94Å; Y413-N415 PolarHBondContact O-N 3.13Å; N415-L417 VanDerWaalsContact C-N 3.35Å; N415-R418 PolarHBondContact O-N 3.13Å; N415-R418 PolarHBondContact OD1-NH1 2.96Å; N415-S419 PolarHBondContact O-N 3.17Å; N415-S419 PolarHBondContact O-OG 2.84Å; N415-S505 PolarHBondContact ND2-O 3.07Å
416	M	94.6	Very high	94.8	Very high	16 Å²	16	36.3 Å²	36.3	8%	0.079	17%	0.171	C	C	.	.	H	α-helix	trans	-60.2	-44.1	170	-176.8	-158.5	77	0	0	111.4	Q412 Y413 R418 S419 D420 T507 L511 F513	Q412-M416 PolarHBondContact O-N 3.14Å; Y413-M416 HydrophobicContact CD2-CE 3.59Å; Y413-M416 HydrophobicContact CD2-SD 4.34Å; Y413-M416 HydrophobicContact CE2-CE 3.4Å; Y413-M416 VanDerWaalsContact CE2-CE 3.4Å; Y413-M416 HydrophobicContact CE2-SD 4.5Å; Y413-M416 WeakPolarHBondContact O-CB 3.42Å; Y413-M416 PolarHBondContact O-N 3.25Å; Y413-M416 VanDerWaalsContact O-N 3.13Å; M416-R418 VanDerWaalsContact C-N 3.27Å; M416-R418 PolarHBondContact O-N 3.31Å; M416-S419 PolarHBondContact O-N 2.8Å; M416-S419 PolarHBondContact O-OG 3.27Å; M416-D420 WeakPolarHBondContact O-CB 3.11Å; M416-D420 PolarHBondContact O-N 3.03Å; M416-D420 VanDerWaalsContact O-N 3.15Å; M416-T507 HydrophobicContact CB-CG2 3.95Å; M416-L511 VanDerWaalsContact SD-O 3.41Å; M416-F513 HydrophobicContact CE-CD2 4.1Å; M416-F513 HydrophobicContact CE-CE2 4.07Å
417	L	94.8	Very high	94.4	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-65.7	-30.1	177.5	-63.6	-177.5	0	0	0	112.8	L353 L354 Y413 I414 N415 L457 F513	L353-L417 HydrophobicContact CB-CD1 4.09Å; L353-L417 HydrophobicContact CD1-CD1 4.15Å; L353-L417 HydrophobicContact CD1-CD2 3.91Å; L354-L417 HydrophobicContact CD2-CD1 4.38Å; Y413-L417 HydrophobicContact CD1-CD1 4.05Å; Y413-L417 HydrophobicContact CD1-CG 4.47Å; Y413-L417 HydrophobicContact CE1-CD1 3.85Å; Y413-L417 HydrophobicContact CE1-CG 4.38Å; Y413-L417 WeakPolarHBondContact O-CG 3.34Å; Y413-L417 PolarHBondContact O-N 2.92Å; I414-L417 PolarHBondContact O-N 3.41Å; N415-L417 VanDerWaalsContact C-N 3.35Å; L417-L457 HydrophobicContact CB-CD1 3.98Å; L417-L457 HydrophobicContact CB-CD2 4.06Å; L417-L457 HydrophobicContact CD1-CD2 4.23Å; L417-L457 WeakPolarHBondContact O-CD1 3.3Å; L417-F513 HydrophobicContact CD2-CD1 4.1Å; L417-F513 HydrophobicContact CD2-CE1 3.4Å; L417-F513 VanDerWaalsContact CD2-CE1 3.4Å; L417-F513 HydrophobicContact CD2-CE2 4.25Å; L417-F513 HydrophobicContact CD2-CZ 3.49Å; L417-F513 VanDerWaalsContact CD2-CZ 3.49Å
418	R	93.4	Very high	93.9	Very high	63 Å²	63	39.5 Å²	39.5	24%	0.238	19%	0.188	C	C	.	.	H	α-helix	trans	-75.6	-40	175.4	-74.2	173	-179	157.9	-2.1	112.8	I414 N415 M416 L457 T458 L460	I414-R418 HydrophobicContact CG2-CG 4.47Å; I414-R418 WeakPolarHBondContact O-CG 3.35Å; I414-R418 PolarHBondContact O-N 2.92Å; N415-R418 PolarHBondContact O-N 3.13Å; N415-R418 PolarHBondContact OD1-NH1 2.96Å; M416-R418 VanDerWaalsContact C-N 3.27Å; M416-R418 PolarHBondContact O-N 3.31Å; R418-L457 HydrophobicContact CG-CB 3.86Å; R418-L457 PolarHBondContact NE-O 3.49Å; R418-L457 PolarHBondContact NH2-O 3.28Å; R418-T458 PolarHBondContact NH2-O 3.49Å; R418-L460 PolarHBondContact NH2-O 2.87Å
419	S	90.9	Very high	93.4	Very high	77 Å²	77	38.9 Å²	38.9	54%	0.538	18%	0.183	S	C	.	.	H	α-helix	trans	-68.5	-39.8	-178.2	60.1	0	0	0	0	111.6	N415 M416	N415-S419 PolarHBondContact O-N 3.17Å; N415-S419 PolarHBondContact O-OG 2.84Å; M416-S419 PolarHBondContact O-N 2.8Å; M416-S419 PolarHBondContact O-OG 3.27Å
420	D	91.6	Very high	92.6	Very high	61 Å²	61	38.5 Å²	38.5	33%	0.326	18%	0.181	S	C	.	.	S	Bend	trans	-83.8	155.1	-175.1	-72.8	20.2	0	0	0	111.5	M416 F513	M416-D420 WeakPolarHBondContact O-CB 3.11Å; M416-D420 PolarHBondContact O-N 3.03Å; M416-D420 VanDerWaalsContact O-N 3.15Å; D420-F513 HydrophobicContact CB-CE2 3.76Å; D420-F513 HydrophobicContact CB-CZ 4.03Å
421	E	92.8	Very high	91.4	Very high	129 Å²	129	41.7 Å²	41.7	60%	0.603	20%	0.196	S	C	*	.	P	Polyproline II helix	trans	-70.7	130.7	168.6	-166.9	179.2	176.9	0	0	109.8	K423	E421-K423 WeakPolarHBondContact O-CD 3.42Å; E421-K423 WeakPolarHBondContact O-CE 3.5Å; E421-K423 PolarHBondContact O-N 3.05Å; E421-K423 PolarHBondContact O-NZ 3.47Å; E421-K423 VanDerWaalsContact O-NZ 3.07Å
422	P	94.7	Very high	89.6	Confident	7 Å²	7	44.4 Å²	44.4	5%	0.045	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-49	136.5	170	-27.5	34.8	0	0	0	110.4	Y349 Y448 P450 I453 K454	Y349-P422 HydrophobicContact CE1-CB 4.26Å; P422-Y448 VanDerWaalsContact C-OH 3.26Å; P422-Y448 PolarHBondContact O-OH 3.03Å; P422-P450 HydrophobicContact CB-CB 4.22Å; P422-P450 HydrophobicContact CG-CB 4Å; P422-I453 HydrophobicContact CB-CD1 4.2Å; P422-I453 HydrophobicContact CB-CG2 4.33Å; P422-I453 HydrophobicContact CG-CB 4.28Å; P422-I453 HydrophobicContact CG-CG2 3.98Å; P422-K454 HydrophobicContact CG-CG 4.23Å
423	K	94.1	Very high	87.5	Confident	66 Å²	66	47.8 Å²	47.8	29%	0.287	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-88.1	124.4	-178.5	-52.7	-53.2	178.5	-150.5	0	109.7	Y349 E421 W425 I426 F513	Y349-K423 WeakPolarHBondContact CE2-O 3.36Å; Y349-K423 PolarHBondContact OH-N 2.87Å; Y349-K423 PolarHBondContact OH-O 2.78Å; E421-K423 WeakPolarHBondContact O-CD 3.42Å; E421-K423 WeakPolarHBondContact O-CE 3.5Å; E421-K423 PolarHBondContact O-N 3.05Å; E421-K423 PolarHBondContact O-NZ 3.47Å; E421-K423 VanDerWaalsContact O-NZ 3.07Å; K423-W425 HydrophobicContact CB-CG 4.49Å; K423-W425 PolarHBondContact O-N 2.99Å; K423-I426 HydrophobicContact CB-CD1 3.96Å; K423-I426 HydrophobicContact CB-CG1 4.01Å; K423-I426 HydrophobicContact CG-CD1 4.28Å; K423-I426 PolarHBondContact O-N 3.12Å; K423-F513 HydrophobicContact CG-CD1 4.12Å; K423-F513 HydrophobicContact CG-CE1 4.19Å; K423-F513 HydrophobicContact CG-CG 4.41Å
424	R	92.5	Very high	85.2	Confident	155 Å²	155	50.2 Å²	50.2	59%	0.585	24%	0.238	S	C	*	.	H	α-helix	trans	-61.4	-41.3	179	-176.1	176.5	179.2	141.9	2.8	112.9	I426 F427 D428 Y448	R424-I426 PolarHBondContact O-N 3.06Å; R424-I426 VanDerWaalsContact O-N 3.14Å; R424-F427 WeakPolarHBondContact O-CA 3.08Å; R424-F427 VanDerWaalsContact O-CB 3.3Å; R424-F427 WeakPolarHBondContact O-CB 3.44Å; R424-F427 PolarHBondContact O-N 3.33Å; R424-D428 IonicContact NE-OD1 3.42Å; R424-D428 PolarHBondContact O-N 3.49Å; R424-Y448 HydrophobicContact CB-CE1 4.17Å; R424-Y448 HydrophobicContact CG-CD1 4.31Å; R424-Y448 HydrophobicContact CG-CE1 4.41Å; R424-Y448 HydrophobicContact CG-CG 4.43Å
425	W	91.9	Very high	82.5	Confident	73 Å²	73	55.2 Å²	55.2	28%	0.277	26%	0.263	S	S	.	.	H	α-helix	trans	-58.9	-31.5	-178.8	67.1	-98	0	0	0	112.5	K423 D428 E429 P514 E515 P516	K423-W425 HydrophobicContact CB-CG 4.49Å; K423-W425 PolarHBondContact O-N 2.99Å; W425-D428 PolarHBondContact O-N 3.01Å; W425-E429 HydrophobicContact CE3-CG 4.16Å; W425-E429 VanDerWaalsContact CZ3-CD 3.49Å; W425-E429 WeakPolarHBondContact CZ3-OE1 3.42Å; W425-E429 WeakPolarHBondContact CZ3-OE2 3.32Å; W425-E429 WeakPolarHBondContact O-CG 3.48Å; W425-E429 PolarHBondContact O-N 3.04Å; W425-P514 HydrophobicContact CH2-CB 4.33Å; W425-P514 HydrophobicContact CH2-CG 3.99Å; W425-P514 WeakPolarHBondContact CH2-O 3.45Å; W425-P514 WeakPolarHBondContact CZ2-O 3.46Å; W425-E515 VanDerWaalsContact CH2-C 3.5Å; W425-P516 HydrophobicContact CD2-CG 4.21Å; W425-P516 HydrophobicContact CE3-CB 4.23Å; W425-P516 HydrophobicContact CE3-CG 4.16Å; W425-P516 HydrophobicContact CH2-CG 4.35Å; W425-P516 HydrophobicContact CZ2-CG 4.39Å; W425-P516 VanDerWaalsContact CZ3-CA 3.49Å; W425-P516 HydrophobicContact CZ3-CB 4.25Å; W425-P516 HydrophobicContact CZ3-CG 4.24Å
426	I	92.2	Very high	79.8	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-66.2	-39.1	174.8	-61.5	-177.8	0	0	0	111.2	Y349 Y352 L353 K423 R424 E429 I430 F513 P514	Y349-I426 HydrophobicContact CD2-CG2 4Å; Y349-I426 HydrophobicContact CE2-CB 3.65Å; Y349-I426 HydrophobicContact CE2-CG2 3.54Å; Y352-I426 HydrophobicContact CD1-CG2 3.62Å; Y352-I426 HydrophobicContact CE1-CG2 3.72Å; L353-I426 HydrophobicContact CD2-CD1 3.82Å; K423-I426 HydrophobicContact CB-CD1 3.96Å; K423-I426 HydrophobicContact CB-CG1 4.01Å; K423-I426 HydrophobicContact CG-CD1 4.28Å; K423-I426 PolarHBondContact O-N 3.12Å; R424-I426 PolarHBondContact O-N 3.06Å; R424-I426 VanDerWaalsContact O-N 3.14Å; I426-E429 PolarHBondContact O-N 3.04Å; I426-I430 HydrophobicContact CG2-CD1 4Å; I426-I430 WeakPolarHBondContact O-CD1 3.48Å; I426-I430 VanDerWaalsContact O-CG1 3.24Å; I426-I430 WeakPolarHBondContact O-CG1 3.3Å; I426-I430 PolarHBondContact O-N 3.46Å; I426-F513 HydrophobicContact CD1-CD1 3.74Å; I426-F513 HydrophobicContact CD1-CE1 4.4Å; I426-P514 HydrophobicContact CD1-CG 4.16Å
427	F	90.1	Very high	77.6	Confident	6 Å²	6	63.9 Å²	63.9	3%	0.026	31%	0.305	C	S	.	.	H	α-helix	trans	-64.9	-43.9	174.4	173.3	-89.5	0	0	0	111	A344 Y349 R424 E429 I430 Q431 A445 Y448	A344-F427 WeakPolarHBondContact O-CE2 3.43Å; Y349-F427 HydrophobicContact CD2-CB 4.17Å; Y349-F427 HydrophobicContact CE2-CB 4.17Å; R424-F427 WeakPolarHBondContact O-CA 3.08Å; R424-F427 VanDerWaalsContact O-CB 3.3Å; R424-F427 WeakPolarHBondContact O-CB 3.44Å; R424-F427 PolarHBondContact O-N 3.33Å; F427-E429 VanDerWaalsContact C-N 3.32Å; F427-E429 PolarHBondContact O-N 3.45Å; F427-I430 PolarHBondContact O-N 3.29Å; F427-Q431 PolarHBondContact O-N 3.27Å; F427-A445 HydrophobicContact CE1-CB 4.32Å; F427-A445 HydrophobicContact CE2-CB 3.82Å; F427-A445 HydrophobicContact CZ-CB 3.66Å; F427-A445 WeakPolarHBondContact CZ-O 3.47Å; F427-Y448 HydrophobicContact CB-CD2 3.69Å; F427-Y448 HydrophobicContact CB-CE2 4.05Å; F427-Y448 HydrophobicContact CD1-CD2 4.04Å; F427-Y448 HydrophobicContact CD1-CG 4.41Å; F427-Y448 AromaticContact CD2-CD2 3.98Å; F427-Y448 HydrophobicContact CD2-CD2 3.98Å; F427-Y448 AromaticContact CG-CD2 3.63Å; F427-Y448 HydrophobicContact CG-CD2 3.63Å; F427-Y448 HydrophobicContact CG-CE2 4.45Å; F427-Y448 HydrophobicContact CG-CG 4.43Å
428	D	87.4	Confident	75.2	Confident	60 Å²	60	66.8 Å²	66.8	32%	0.321	32%	0.323	S	S	.	.	H	α-helix	trans	-63.8	-37	178.2	-55.9	-30.6	0	0	0	111.5	R424 W425 Q431 T432	R424-D428 IonicContact NE-OD1 3.42Å; R424-D428 PolarHBondContact O-N 3.49Å; W425-D428 PolarHBondContact O-N 3.01Å; D428-Q431 WeakPolarHBondContact O-CB 3.49Å; D428-T432 PolarHBondContact O-N 2.96Å; D428-T432 PolarHBondContact O-OG1 2.85Å
429	E	86	Confident	73.2	Confident	15 Å²	15	65.7 Å²	65.7	7%	0.07	32%	0.321	C	S	.	.	H	α-helix	trans	-63.1	-49.2	172.6	-73	-170.4	170.4	0	0	111.7	Y352 W425 I426 F427 Q431 T432 Y433 P516 N517 I520	Y352-E429 PolarHBondContact OH-OE2 3.05Å; W425-E429 HydrophobicContact CE3-CG 4.16Å; W425-E429 VanDerWaalsContact CZ3-CD 3.49Å; W425-E429 WeakPolarHBondContact CZ3-OE1 3.42Å; W425-E429 WeakPolarHBondContact CZ3-OE2 3.32Å; W425-E429 WeakPolarHBondContact O-CG 3.48Å; W425-E429 PolarHBondContact O-N 3.04Å; I426-E429 PolarHBondContact O-N 3.04Å; F427-E429 VanDerWaalsContact C-N 3.32Å; F427-E429 PolarHBondContact O-N 3.45Å; E429-Q431 VanDerWaalsContact C-N 3.28Å; E429-Q431 PolarHBondContact O-N 3.29Å; E429-T432 WeakPolarHBondContact O-CA 3.29Å; E429-T432 VanDerWaalsContact O-CB 3.3Å; E429-T432 WeakPolarHBondContact O-CB 3.26Å; E429-T432 PolarHBondContact O-N 2.62Å; E429-Y433 WeakPolarHBondContact O-CD2 3.41Å; E429-Y433 PolarHBondContact O-N 3.38Å; E429-Y433 VanDerWaalsContact O-N 3.15Å; E429-P516 WeakPolarHBondContact OE1-CA 3.45Å; E429-N517 PolarHBondContact OE1-N 2.82Å; E429-I520 HydrophobicContact CB-CD1 4.02Å; E429-I520 HydrophobicContact CG-CD1 3.51Å
430	I	80	Confident	71.4	Confident	9 Å²	9	62.6 Å²	62.6	5%	0.046	30%	0.299	C	S	.	.	H	α-helix	trans	-60.1	-40	179.6	-68.3	164.5	0	0	0	111.3	Y349 Y352 I426 F427 T432 Y433 N434	Y349-I430 HydrophobicContact CD2-CD1 4.07Å; Y349-I430 HydrophobicContact CG-CD1 4.41Å; Y352-I430 HydrophobicContact CD1-CD1 4.11Å; Y352-I430 HydrophobicContact CD1-CG1 4.31Å; Y352-I430 HydrophobicContact CD2-CG1 4.43Å; Y352-I430 HydrophobicContact CG-CD1 4.04Å; Y352-I430 HydrophobicContact CG-CG1 4.09Å; I426-I430 HydrophobicContact CG2-CD1 4Å; I426-I430 WeakPolarHBondContact O-CD1 3.48Å; I426-I430 VanDerWaalsContact O-CG1 3.24Å; I426-I430 WeakPolarHBondContact O-CG1 3.3Å; I426-I430 PolarHBondContact O-N 3.46Å; F427-I430 PolarHBondContact O-N 3.29Å; I430-T432 PolarHBondContact O-N 2.73Å; I430-Y433 PolarHBondContact O-N 2.91Å; I430-Y433 VanDerWaalsContact O-N 3.13Å; I430-N434 PolarHBondContact O-N 3.35Å
431	Q	71.8	Confident	69.4	Low	67 Å²	67	63.1 Å²	63.1	31%	0.313	31%	0.308	S	S	.	.	H	α-helix	trans	-55.2	-42	173.8	-172	-177.9	-3.4	0	0	111.2	F427 D428 E429 Y433 M435 A445	F427-Q431 PolarHBondContact O-N 3.27Å; D428-Q431 WeakPolarHBondContact O-CB 3.49Å; E429-Q431 VanDerWaalsContact C-N 3.28Å; E429-Q431 PolarHBondContact O-N 3.29Å; Q431-Y433 VanDerWaalsContact C-N 3.34Å; Q431-Y433 PolarHBondContact O-N 3.18Å; Q431-M435 WeakPolarHBondContact O-CG 3.26Å; Q431-M435 PolarHBondContact O-N 3.46Å; Q431-A445 HydrophobicContact CB-CB 3.86Å; Q431-A445 HydrophobicContact CG-CB 4Å; Q431-A445 WeakPolarHBondContact CG-O 3.21Å; Q431-A445 PolarHBondContact NE2-O 3.48Å; Q431-A445 PolarHBondContact OE1-O 3.37Å
432	T	59.5	Low	67.2	Low	58 Å²	58	57.4 Å²	57.4	36%	0.356	28%	0.282	S	S	.	.	H	α-helix	trans	-67.2	-35.2	179.9	-52	0	0	0	0	112.1	D428 E429 I430 M435 I520	D428-T432 PolarHBondContact O-N 2.96Å; D428-T432 PolarHBondContact O-OG1 2.85Å; E429-T432 WeakPolarHBondContact O-CA 3.29Å; E429-T432 VanDerWaalsContact O-CB 3.3Å; E429-T432 WeakPolarHBondContact O-CB 3.26Å; E429-T432 PolarHBondContact O-N 2.62Å; I430-T432 PolarHBondContact O-N 2.73Å; T432-M435 HydrophobicContact CG2-CE 4.33Å; T432-I520 HydrophobicContact CG2-CG2 3.83Å
433	Y	51.3	Low	65	Low	101 Å²	101	58.9 Å²	58.9	40%	0.396	29%	0.289	S	S	.	.	H	α-helix	trans	-73.4	-39.3	178.1	-76	-72.3	0	0	0	113.8	E429 I430 Q431 M435 N517 I520	E429-Y433 WeakPolarHBondContact O-CD2 3.41Å; E429-Y433 PolarHBondContact O-N 3.38Å; E429-Y433 VanDerWaalsContact O-N 3.15Å; I430-Y433 PolarHBondContact O-N 2.91Å; I430-Y433 VanDerWaalsContact O-N 3.13Å; Q431-Y433 VanDerWaalsContact C-N 3.34Å; Q431-Y433 PolarHBondContact O-N 3.18Å; Y433-M435 VanDerWaalsContact C-N 3.3Å; Y433-M435 PolarHBondContact O-N 2.88Å; Y433-N517 PolarHBondContact OH-ND2 2.81Å; Y433-I520 HydrophobicContact CE2-CD1 4.18Å; Y433-I520 HydrophobicContact CE2-CG1 4.38Å
434	N	50	Low	63.3	Low	53 Å²	53	58.4 Å²	58.4	28%	0.283	29%	0.289	S	S	.	.	H	α-helix	trans	-83.4	-0.3	-175.3	-74.3	-21.4	0	0	0	114.3	Q345 I430 Q436	Q345-N434 PolarHBondContact OE1-ND2 3.28Å; I430-N434 PolarHBondContact O-N 3.35Å; N434-Q436 PolarHBondContact O-N 2.73Å
435	M	39.2	Very low	61.9	Low	105 Å²	105	51 Å²	51	52%	0.517	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-3.8	174.8	-84.9	-159.6	-74.3	0	0	114.7	Q431 T432 Y433 D437 V438	Q431-M435 WeakPolarHBondContact O-CG 3.26Å; Q431-M435 PolarHBondContact O-N 3.46Å; T432-M435 HydrophobicContact CG2-CE 4.33Å; Y433-M435 VanDerWaalsContact C-N 3.3Å; Y433-M435 PolarHBondContact O-N 2.88Å; M435-D437 PolarHBondContact O-N 2.87Å; M435-V438 WeakPolarHBondContact O-CG2 3.47Å
436	Q	37.6	Very low	61.1	Low	141 Å²	141	51.6 Å²	51.6	66%	0.659	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-11.9	-177.6	-63.3	-173.6	19.4	0	0	114.2	N434	N434-Q436 PolarHBondContact O-N 2.73Å
437	D	46.9	Very low	60.7	Low	92 Å²	92	54.9 Å²	54.9	49%	0.492	29%	0.293	S	S	.	.			trans	-108	49.6	-174.9	-65.5	-35.2	0	0	0	113.4	M435 L439 T440 L443	M435-D437 PolarHBondContact O-N 2.87Å; D437-L439 PolarHBondContact O-N 2.85Å; D437-T440 PolarHBondContact O-N 3.28Å; D437-T440 PolarHBondContact O-OG1 3.11Å; D437-L443 HydrophobicContact CB-CD1 3.5Å; D437-L443 WeakPolarHBondContact OD2-CD1 3.1Å
438	V	45.5	Very low	60.7	Low	65 Å²	65	57.1 Å²	57.1	39%	0.394	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-1.9	-167.3	-151.5	0	0	0	0	116.1	Q18 M435	Q18-V438 CarbonylContact C-O 3.57Å; M435-V438 WeakPolarHBondContact O-CG2 3.47Å
439	L	51.9	Low	60.9	Low	39 Å²	39	56.6 Å²	56.6	20%	0.204	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	4.4	174.5	-63.8	171	0	0	0	113.8	I3 V17 K19 Y27 D437	I3-L439 HydrophobicContact CD1-CD1 4.17Å; V17-L439 HydrophobicContact CG1-CD2 3.92Å; K19-L439 HydrophobicContact CB-CD2 3.94Å; Y27-L439 HydrophobicContact CD1-CD2 4.09Å; Y27-L439 HydrophobicContact CD2-CD2 4.19Å; Y27-L439 HydrophobicContact CE1-CD1 3.68Å; Y27-L439 HydrophobicContact CE1-CD2 3.59Å; Y27-L439 HydrophobicContact CE1-CG 4.28Å; Y27-L439 HydrophobicContact CE2-CD2 3.7Å; Y27-L439 HydrophobicContact CG-CD2 4.37Å; Y27-L439 WeakPolarHBondContact OH-CD1 3.34Å; D437-L439 PolarHBondContact O-N 2.85Å
440	T	52.8	Low	61.3	Low	12 Å²	12	57.3 Å²	57.3	7%	0.074	31%	0.305	C	S	.	.			trans	-128.1	97.5	-169	61.8	0	0	0	0	111.5	I3 C6 D437 P442 L443	I3-T440 HydrophobicContact CG1-CG2 4.42Å; C6-T440 HydrophobicContact CB-CG2 4.07Å; C6-T440 WeakPolarHBondContact SG-CB 3.12Å; C6-T440 WeakPolarHBondContact SG-CG2 3.26Å; D437-T440 PolarHBondContact O-N 3.28Å; D437-T440 PolarHBondContact O-OG1 3.11Å; T440-P442 VanDerWaalsContact O-N 3.08Å; T440-L443 PolarHBondContact O-N 2.9Å; T440-L443 VanDerWaalsContact OG1-CD1 3.28Å; T440-L443 WeakPolarHBondContact OG1-CD1 3.18Å
441	S	48.8	Very low	62	Low	73 Å²	73	62.8 Å²	62.8	51%	0.51	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-44.7	-33.2	168.5	-174.7	0	0	0	0	113.7	Y342 L443	Y342-S441 WeakPolarHBondContact CE2-O 3.43Å; Y342-S441 PolarHBondContact OH-O 3.34Å; Y342-S441 PolarHBondContact OH-OG 3.09Å; S441-L443 PolarHBondContact O-N 3.41Å; S441-L443 VanDerWaalsContact O-N 3.12Å
442	P	46.2	Very low	63	Low	9 Å²	9	60.3 Å²	60.3	6%	0.058	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-62.7	-5.8	174.7	-27.5	38.1	0	0	0	118.3	M1 C6 Y342 T440	M1-P442 HydrophobicContact SD-CB 3.83Å; M1-P442 HydrophobicContact SD-CG 4.34Å; C6-P442 HydrophobicContact CB-CG 4.19Å; Y342-P442 HydrophobicContact CD1-CB 4.48Å; Y342-P442 HydrophobicContact CD2-CB 4.25Å; Y342-P442 WeakPolarHBondContact CD2-O 3.39Å; Y342-P442 HydrophobicContact CE2-CB 4.44Å; Y342-P442 HydrophobicContact CG-CB 4.26Å; T440-P442 VanDerWaalsContact O-N 3.08Å
443	L	49.1	Very low	64.7	Low	38 Å²	38	57.5 Å²	57.5	20%	0.199	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-118.4	4.6	-171.6	-67.1	179.8	0	0	0	115.2	Q345 D437 T440 S441 A445	Q345-L443 PolarHBondContact NE2-O 3.45Å; D437-L443 HydrophobicContact CB-CD1 3.5Å; D437-L443 WeakPolarHBondContact OD2-CD1 3.1Å; T440-L443 PolarHBondContact O-N 2.9Å; T440-L443 VanDerWaalsContact OG1-CD1 3.28Å; T440-L443 WeakPolarHBondContact OG1-CD1 3.18Å; S441-L443 PolarHBondContact O-N 3.41Å; S441-L443 VanDerWaalsContact O-N 3.12Å; L443-A445 PolarHBondContact O-N 3.19Å
444	L	58.6	Low	66.8	Low	56 Å²	56	56.5 Å²	56.5	29%	0.293	30%	0.303	S	S	.	.			trans	-85.3	114.2	172.5	-66	170.7	0	0	0	110.1	T446	L444-T446 VanDerWaalsContact C-N 3.28Å; L444-T446 HydrophobicContact CB-CG2 3.73Å; L444-T446 PolarHBondContact O-N 2.71Å
445	A	63.8	Low	68.9	Low	0 Å²	0	60 Å²	60	0%	0	32%	0.316	C	S	.	.			trans	-71.2	83.4	170.1	0	0	0	0	0	109.2	T343 Q345 F427 Q431 L443	T343-A445 CarbonylContact O-C 3.52Å; T343-A445 WeakPolarHBondContact O-CA 3.34Å; Q345-A445 HydrophobicContact CB-CB 4.25Å; Q345-A445 VanDerWaalsContact CD-CB 3.5Å; Q345-A445 HydrophobicContact CG-CB 3.78Å; Q345-A445 VanDerWaalsContact NE2-N 3.18Å; F427-A445 HydrophobicContact CE1-CB 4.32Å; F427-A445 HydrophobicContact CE2-CB 3.82Å; F427-A445 HydrophobicContact CZ-CB 3.66Å; F427-A445 WeakPolarHBondContact CZ-O 3.47Å; Q431-A445 HydrophobicContact CB-CB 3.86Å; Q431-A445 HydrophobicContact CG-CB 4Å; Q431-A445 WeakPolarHBondContact CG-O 3.21Å; Q431-A445 PolarHBondContact NE2-O 3.48Å; Q431-A445 PolarHBondContact OE1-O 3.37Å; L443-A445 PolarHBondContact O-N 3.19Å
446	T	74.7	Confident	71.6	Confident	84 Å²	84	55 Å²	55	52%	0.515	29%	0.292	S	S	.	.			trans	-100.4	-18.7	-175.3	53.9	0	0	0	0	113.3	T343 L444	T343-T446 WeakPolarHBondContact CB-OG1 3.45Å; T343-T446 PolarHBondContact O-N 2.73Å; L444-T446 VanDerWaalsContact C-N 3.28Å; L444-T446 HydrophobicContact CB-CG2 3.73Å; L444-T446 PolarHBondContact O-N 2.71Å
447	V	84.2	Confident	74.3	Confident	69 Å²	69	48.5 Å²	48.5	42%	0.418	26%	0.261	S	S	.	.			trans	-121.9	98.6	-171.6	-177.9	0	0	0	0	110.8	T343 A344 N449	T343-V447 PolarHBondContact O-N 3.02Å; A344-V447 WeakPolarHBondContact CA-O 3.45Å; V447-N449 PolarHBondContact O-N 2.87Å
448	Y	89.5	Confident	76.6	Confident	53 Å²	53	48.3 Å²	48.3	21%	0.208	26%	0.263	C	S	.	.			trans	-67	109.2	172.6	178.8	-119	0	0	0	111.1	P422 R424 F427 P450 I453	P422-Y448 VanDerWaalsContact C-OH 3.26Å; P422-Y448 PolarHBondContact O-OH 3.03Å; R424-Y448 HydrophobicContact CB-CE1 4.17Å; R424-Y448 HydrophobicContact CG-CD1 4.31Å; R424-Y448 HydrophobicContact CG-CE1 4.41Å; R424-Y448 HydrophobicContact CG-CG 4.43Å; F427-Y448 HydrophobicContact CB-CD2 3.69Å; F427-Y448 HydrophobicContact CB-CE2 4.05Å; F427-Y448 HydrophobicContact CD1-CD2 4.04Å; F427-Y448 HydrophobicContact CD1-CG 4.41Å; F427-Y448 AromaticContact CD2-CD2 3.98Å; F427-Y448 HydrophobicContact CD2-CD2 3.98Å; F427-Y448 AromaticContact CG-CD2 3.63Å; F427-Y448 HydrophobicContact CG-CD2 3.63Å; F427-Y448 HydrophobicContact CG-CE2 4.45Å; F427-Y448 HydrophobicContact CG-CG 4.43Å; Y448-P450 HydrophobicContact CE1-CB 4.35Å; Y448-P450 HydrophobicContact CE1-CG 4.03Å; Y448-I453 HydrophobicContact CE2-CD1 4.34Å
449	N	92.4	Very high	78.9	Confident	50 Å²	50	46.5 Å²	46.5	27%	0.267	25%	0.254	S	S	.	.			trans	-123.6	87.1	-178.7	-168.3	-19.3	0	0	0	112.1	A344 V447 N451 L452 I453	A344-N449 HydrophobicContact CB-CB 3.84Å; V447-N449 PolarHBondContact O-N 2.87Å; N449-N451 PolarHBondContact O-N 2.86Å; N449-N451 PolarHBondContact OD1-N 2.79Å; N449-L452 HydrophobicContact CB-CB 4.08Å; N449-L452 PolarHBondContact O-N 2.83Å; N449-L452 PolarHBondContact OD1-N 2.84Å; N449-I453 PolarHBondContact O-N 3.47Å
450	P	93.9	Very high	81	Confident	30 Å²	30	44.7 Å²	44.7	20%	0.195	24%	0.244	C	C	.	.	H	α-helix	trans	-63.8	-27.1	-179	24.5	-33.6	0	0	0	113.4	P422 Y448 I453 K454	P422-P450 HydrophobicContact CB-CB 4.22Å; P422-P450 HydrophobicContact CG-CB 4Å; Y448-P450 HydrophobicContact CE1-CB 4.35Å; Y448-P450 HydrophobicContact CE1-CG 4.03Å; P450-I453 PolarHBondContact O-N 3.38Å; P450-K454 WeakPolarHBondContact O-CG 3.48Å; P450-K454 PolarHBondContact O-N 3.46Å
451	N	94.2	Very high	83	Confident	124 Å²	124	46.2 Å²	46.2	66%	0.663	25%	0.252	S	S	*	.	H	α-helix	trans	-68	-39.1	177.9	-68.3	-30.2	0	0	0	111.5	N449 K454 K455	N449-N451 PolarHBondContact O-N 2.86Å; N449-N451 PolarHBondContact OD1-N 2.79Å; N451-K454 PolarHBondContact O-N 2.97Å; N451-K455 WeakPolarHBondContact O-CB 3.36Å; N451-K455 PolarHBondContact O-N 3.28Å
452	L	93	Very high	85.3	Confident	14 Å²	14	43 Å²	43	7%	0.073	23%	0.229	C	C	.	.	H	α-helix	trans	-66.7	-39.9	177.1	-166.8	68.5	0	0	0	111.6	Y338 D341 A344 A346 N449 K455 L456	Y338-L452 HydrophobicContact CD1-CD1 3.89Å; Y338-L452 HydrophobicContact CD1-CD2 4.03Å; Y338-L452 HydrophobicContact CD1-CG 3.92Å; Y338-L452 HydrophobicContact CE1-CD1 3.5Å; Y338-L452 HydrophobicContact CE1-CD2 4.32Å; Y338-L452 HydrophobicContact CE1-CG 3.69Å; D341-L452 HydrophobicContact CB-CD2 3.62Å; A344-L452 HydrophobicContact CB-CD2 3.59Å; A346-L452 HydrophobicContact CB-CB 4.26Å; A346-L452 HydrophobicContact CB-CD2 3.86Å; A346-L452 HydrophobicContact CB-CG 3.82Å; N449-L452 HydrophobicContact CB-CB 4.08Å; N449-L452 PolarHBondContact O-N 2.83Å; N449-L452 PolarHBondContact OD1-N 2.84Å; L452-K455 WeakPolarHBondContact O-CB 3.36Å; L452-K455 PolarHBondContact O-N 2.8Å; L452-L456 PolarHBondContact O-N 3.44Å
453	I	94.6	Very high	87.7	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60.5	-49	173	-64.7	165.8	0	0	0	110.4	A346 Y349 V350 P422 Y448 N449 P450 K455 L456 L457	A346-I453 HydrophobicContact CB-CG1 3.95Å; Y349-I453 HydrophobicContact CD1-CD1 3.84Å; Y349-I453 HydrophobicContact CD1-CG1 4.21Å; Y349-I453 HydrophobicContact CD1-CG2 3.65Å; Y349-I453 HydrophobicContact CD2-CD1 3.79Å; Y349-I453 HydrophobicContact CE1-CD1 4.17Å; Y349-I453 HydrophobicContact CE1-CG2 3.93Å; Y349-I453 HydrophobicContact CE2-CD1 4.12Å; Y349-I453 HydrophobicContact CG-CD1 3.64Å; Y349-I453 HydrophobicContact CG-CG1 4.18Å; Y349-I453 HydrophobicContact CG-CG2 4.44Å; V350-I453 HydrophobicContact CG2-CG2 4.19Å; P422-I453 HydrophobicContact CB-CD1 4.2Å; P422-I453 HydrophobicContact CB-CG2 4.33Å; P422-I453 HydrophobicContact CG-CB 4.28Å; P422-I453 HydrophobicContact CG-CG2 3.98Å; Y448-I453 HydrophobicContact CE2-CD1 4.34Å; N449-I453 PolarHBondContact O-N 3.47Å; P450-I453 PolarHBondContact O-N 3.38Å; I453-K455 VanDerWaalsContact C-N 3.32Å; I453-K455 PolarHBondContact O-N 3.19Å; I453-L456 PolarHBondContact O-N 2.81Å; I453-L457 HydrophobicContact CG2-CD1 4.05Å; I453-L457 HydrophobicContact CG2-CG 4.49Å; I453-L457 WeakPolarHBondContact O-CG 3.18Å; I453-L457 PolarHBondContact O-N 2.9Å
454	K	95.2	Very high	89.9	Confident	79 Å²	79	44.8 Å²	44.8	34%	0.343	24%	0.239	S	C	.	.	H	α-helix	trans	-61.8	-38.7	177	-75.1	-171.5	176.3	-168.1	0	112.6	P422 P450 N451 L457 T458	P422-K454 HydrophobicContact CG-CG 4.23Å; P450-K454 WeakPolarHBondContact O-CG 3.48Å; P450-K454 PolarHBondContact O-N 3.46Å; N451-K454 PolarHBondContact O-N 2.97Å; K454-L457 PolarHBondContact O-N 2.89Å; K454-T458 PolarHBondContact O-N 2.87Å; K454-T458 PolarHBondContact O-OG1 2.96Å
455	K	94.6	Very high	91.7	Very high	128 Å²	128	42.1 Å²	42.1	56%	0.557	23%	0.225	S	C	*	.	H	α-helix	trans	-60.5	-47.1	174.6	-174.8	-178.1	178	-173.7	0	111	N451 L452 I453 T458 S459	N451-K455 WeakPolarHBondContact O-CB 3.36Å; N451-K455 PolarHBondContact O-N 3.28Å; L452-K455 WeakPolarHBondContact O-CB 3.36Å; L452-K455 PolarHBondContact O-N 2.8Å; I453-K455 VanDerWaalsContact C-N 3.32Å; I453-K455 PolarHBondContact O-N 3.19Å; K455-T458 WeakPolarHBondContact O-CB 3.25Å; K455-T458 PolarHBondContact O-N 3.37Å; K455-S459 PolarHBondContact O-N 2.84Å; K455-S459 PolarHBondContact O-OG 3.04Å
456	L	95.2	Very high	93.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.1	-48.4	176	176.1	57.5	0	0	0	111.6	I335 Y338 A346 T347 V350 L452 I453 T458 S459	I335-L456 HydrophobicContact CB-CD1 4.12Å; I335-L456 HydrophobicContact CD1-CD1 4.02Å; I335-L456 HydrophobicContact CG2-CD1 3.69Å; Y338-L456 HydrophobicContact CE1-CB 4.4Å; Y338-L456 HydrophobicContact CE2-CD1 3.85Å; Y338-L456 WeakPolarHBondContact OH-CA 3.34Å; Y338-L456 WeakPolarHBondContact OH-CB 3.3Å; Y338-L456 PolarHBondContact OH-N 3.21Å; A346-L456 WeakPolarHBondContact O-CD2 3.42Å; T347-L456 HydrophobicContact CG2-CD2 4.02Å; V350-L456 HydrophobicContact CB-CD2 3.94Å; V350-L456 HydrophobicContact CG2-CD2 3.72Å; V350-L456 HydrophobicContact CG2-CG 4.17Å; L452-L456 PolarHBondContact O-N 3.44Å; I453-L456 PolarHBondContact O-N 2.81Å; L456-T458 PolarHBondContact O-N 2.87Å; L456-S459 WeakPolarHBondContact O-CB 3.49Å; L456-S459 PolarHBondContact O-N 3.18Å
457	L	95.8	Very high	94.4	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.016	20%	0.201	C	C	.	.	H	α-helix	trans	-57.3	-35.1	177.4	-73.5	170.2	0	0	0	111.9	V350 L417 R418 I453 K454 S459 L460	V350-L457 HydrophobicContact CG1-CD2 4.01Å; V350-L457 HydrophobicContact CG2-CD2 3.94Å; V350-L457 HydrophobicContact CG2-CG 4.04Å; L417-L457 HydrophobicContact CB-CD1 3.98Å; L417-L457 HydrophobicContact CB-CD2 4.06Å; L417-L457 HydrophobicContact CD1-CD2 4.23Å; L417-L457 WeakPolarHBondContact O-CD1 3.3Å; R418-L457 HydrophobicContact CG-CB 3.86Å; R418-L457 PolarHBondContact NE-O 3.49Å; R418-L457 PolarHBondContact NH2-O 3.28Å; I453-L457 HydrophobicContact CG2-CD1 4.05Å; I453-L457 HydrophobicContact CG2-CG 4.49Å; I453-L457 WeakPolarHBondContact O-CG 3.18Å; I453-L457 PolarHBondContact O-N 2.9Å; K454-L457 PolarHBondContact O-N 2.89Å; L457-S459 VanDerWaalsContact C-N 3.3Å; L457-S459 PolarHBondContact O-N 3.31Å; L457-L460 HydrophobicContact CD2-CD1 4.47Å; L457-L460 PolarHBondContact O-N 3.22Å
458	T	94.3	Very high	95	Very high	88 Å²	88	35.3 Å²	35.3	54%	0.54	18%	0.182	S	C	.	.	H	α-helix	trans	-64.5	-33.7	177.5	-56.1	0	0	0	0	112.2	R418 K454 K455 L456 L460 N461	R418-T458 PolarHBondContact NH2-O 3.49Å; K454-T458 PolarHBondContact O-N 2.87Å; K454-T458 PolarHBondContact O-OG1 2.96Å; K455-T458 WeakPolarHBondContact O-CB 3.25Å; K455-T458 PolarHBondContact O-N 3.37Å; L456-T458 PolarHBondContact O-N 2.87Å; T458-L460 PolarHBondContact O-N 3.15Å; T458-N461 PolarHBondContact O-ND2 2.99Å
459	S	93.9	Very high	95.4	Very high	28 Å²	28	32.8 Å²	32.8	20%	0.196	17%	0.172	C	C	.	.	H	α-helix	trans	-68	-21.8	175.4	-53.9	0	0	0	0	113.3	K455 L456 L457 N461 N464	K455-S459 PolarHBondContact O-N 2.84Å; K455-S459 PolarHBondContact O-OG 3.04Å; L456-S459 WeakPolarHBondContact O-CB 3.49Å; L456-S459 PolarHBondContact O-N 3.18Å; L457-S459 VanDerWaalsContact C-N 3.3Å; L457-S459 PolarHBondContact O-N 3.31Å; S459-N461 VanDerWaalsContact C-N 3.25Å; S459-N461 PolarHBondContact O-N 3.21Å; S459-N461 PolarHBondContact O-ND2 2.79Å; S459-N464 PolarHBondContact O-ND2 3.08Å
460	L	96.5	Very high	95.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.16	C	C	.	.			trans	-83.6	55.4	-178.2	-52.3	-172.6	0	0	0	112.8	W333 I335 V350 L354 L389 I414 R418 L457 T458	W333-L460 HydrophobicContact CB-CD2 3.66Å; W333-L460 HydrophobicContact CD2-CB 4.4Å; W333-L460 HydrophobicContact CD2-CD2 4Å; W333-L460 HydrophobicContact CE3-CD2 4.2Å; W333-L460 HydrophobicContact CG-CB 4.45Å; W333-L460 HydrophobicContact CG-CD2 3.8Å; I335-L460 HydrophobicContact CG2-CD2 4.21Å; V350-L460 HydrophobicContact CG1-CD1 3.74Å; L354-L460 HydrophobicContact CD1-CD1 3.99Å; L389-L460 HydrophobicContact CB-CD2 4.22Å; L389-L460 HydrophobicContact CD1-CD1 4.21Å; L389-L460 HydrophobicContact CD1-CD2 4.33Å; L389-L460 HydrophobicContact CD2-CD1 4.28Å; L389-L460 HydrophobicContact CD2-CD2 4.15Å; L389-L460 HydrophobicContact CG-CD2 4.48Å; I414-L460 HydrophobicContact CD1-CB 4.15Å; I414-L460 HydrophobicContact CG2-CB 4.29Å; R418-L460 PolarHBondContact NH2-O 2.87Å; L457-L460 HydrophobicContact CD2-CD1 4.47Å; L457-L460 PolarHBondContact O-N 3.22Å; T458-L460 PolarHBondContact O-N 3.15Å
461	N	95.4	Very high	95.7	Very high	44 Å²	44	29 Å²	29	24%	0.235	15%	0.151	C	C	.	.	S	Bend	trans	-109	164.7	-177	65.6	69.2	0	0	0	111.9	W333 T458 S459 D463 N464	W333-N461 PolarHBondContact NE1-O 3.15Å; T458-N461 PolarHBondContact O-ND2 2.99Å; S459-N461 VanDerWaalsContact C-N 3.25Å; S459-N461 PolarHBondContact O-N 3.21Å; S459-N461 PolarHBondContact O-ND2 2.79Å; N461-D463 VanDerWaalsContact C-N 3.29Å; N461-D463 PolarHBondContact O-N 3.45Å; N461-D463 WeakPolarHBondContact OD1-CB 3.48Å; N461-D463 PolarHBondContact OD1-N 3.01Å; N461-D463 VanDerWaalsContact OD1-N 3.1Å; N461-N464 PolarHBondContact O-N 2.85Å; N461-N464 PolarHBondContact OD1-N 2.87Å
462	P	96.5	Very high	95.6	Very high	5 Å²	5	26.9 Å²	26.9	3%	0.032	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-58.9	-36.4	-179.9	-27	36.4	0	0	0	114.3	Y411 N464 S465 L499 W502 R503	Y411-P462 HydrophobicContact CD1-CG 4.14Å; Y411-P462 HydrophobicContact CD2-CG 4.22Å; Y411-P462 HydrophobicContact CE1-CG 3.87Å; Y411-P462 HydrophobicContact CE2-CB 4.32Å; Y411-P462 HydrophobicContact CE2-CG 3.9Å; Y411-P462 HydrophobicContact CG-CG 4.33Å; Y411-P462 WeakPolarHBondContact OH-CA 3.47Å; P462-N464 VanDerWaalsContact C-N 3.26Å; P462-N464 PolarHBondContact O-N 2.95Å; P462-S465 WeakPolarHBondContact O-CB 3.28Å; P462-S465 PolarHBondContact O-N 2.89Å; P462-S465 PolarHBondContact O-OG 3.07Å; P462-L499 HydrophobicContact CB-CD2 3.98Å; P462-W502 HydrophobicContact CB-CB 4.08Å; P462-W502 HydrophobicContact CB-CE3 4.39Å; P462-W502 HydrophobicContact CG-CB 3.6Å; P462-R503 HydrophobicContact CB-CG 4.25Å; P462-R503 HydrophobicContact CG-CG 4.04Å
463	D	95.6	Very high	95.6	Very high	55 Å²	55	29.9 Å²	29.9	29%	0.294	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-70.6	-25	-177.9	-63.1	-54.3	0	0	0	112.9	L314 K315 N461 R503	L314-D463 WeakPolarHBondContact CB-O 3.22Å; K315-D463 HydrophobicContact CD-CB 4.42Å; N461-D463 VanDerWaalsContact C-N 3.29Å; N461-D463 PolarHBondContact O-N 3.45Å; N461-D463 WeakPolarHBondContact OD1-CB 3.48Å; N461-D463 PolarHBondContact OD1-N 3.01Å; N461-D463 VanDerWaalsContact OD1-N 3.1Å; D463-R503 VanDerWaalsContact CG-NE 3.32Å; D463-R503 IonicContact OD1-CZ 3.29Å; D463-R503 VanDerWaalsContact OD1-CZ 3.25Å; D463-R503 IonicContact OD1-NE 3.91Å; D463-R503 PolarHBondContact OD1-NE 2.8Å; D463-R503 IonicContact OD1-NH2 3.94Å; D463-R503 PolarHBondContact OD1-NH2 3.39Å; D463-R503 IonicContact OD2-CZ 3.72Å; D463-R503 IonicContact OD2-NE 2.69Å; D463-R503 PolarHBondContact OD2-NE 3.26Å; D463-R503 IonicContact OD2-NH2 2.6Å
464	N	95.8	Very high	95.5	Very high	31 Å²	31	30.8 Å²	30.8	17%	0.166	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-98.6	27.1	176.9	-169.2	40.3	0	0	0	112.9	W333 P334 S459 N461 P462	W333-N464 WeakPolarHBondContact CA-O 3.42Å; P334-N464 VanDerWaalsContact CD-O 3.28Å; P334-N464 WeakPolarHBondContact CD-O 3.42Å; P334-N464 PolarHBondContact O-ND2 3.25Å; S459-N464 PolarHBondContact O-ND2 3.08Å; N461-N464 PolarHBondContact O-N 2.85Å; N461-N464 PolarHBondContact OD1-N 2.87Å; P462-N464 VanDerWaalsContact C-N 3.26Å; P462-N464 PolarHBondContact O-N 2.95Å
465	S	96.5	Very high	95.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.162	C	C	.	.			trans	-113.6	150.3	-174.8	73.5	0	0	0	0	114.1	K315 M332 P462	K315-S465 PolarHBondContact N-O 2.85Å; M332-S465 CarbonylContact O-C 3.36Å; M332-S465 WeakPolarHBondContact O-CA 3.41Å; P462-S465 WeakPolarHBondContact O-CB 3.28Å; P462-S465 PolarHBondContact O-N 2.89Å; P462-S465 PolarHBondContact O-OG 3.07Å
466	R	96.8	Very high	95.2	Very high	3 Å²	3	31.5 Å²	31.5	1%	0.011	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	127.4	164.6	-64.6	176.1	65	-151.8	4.8	107.9	E221 L224 C313 L314 M332 F468	E221-R466 PolarHBondContact O-NH1 2.8Å; E221-R466 PolarHBondContact O-NH2 3.33Å; L224-R466 PolarHBondContact O-NH2 3.13Å; C313-R466 WeakPolarHBondContact O-CD 3.3Å; C313-R466 VanDerWaalsContact O-CG 3.23Å; C313-R466 WeakPolarHBondContact O-CG 2.95Å; C313-R466 PolarHBondContact O-NE 3.44Å; L314-R466 HydrophobicContact CD2-CG 4.18Å; M332-R466 HydrophobicContact CB-CB 4.45Å; M332-R466 HydrophobicContact CE-CB 4.25Å; M332-R466 HydrophobicContact CE-CG 4.31Å; M332-R466 PolarHBondContact N-O 2.74Å; M332-R466 PolarHBondContact O-N 3.23Å; R466-F468 HydrophobicContact CB-CE2 4.07Å
467	I	97.6	Very high	95	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	123.8	-174.2	-51.3	-177.2	0	0	0	108.7	K316 M317 V318 M329 N330 I331 I407 V469 I494 W502	K316-I467 PolarHBondContact O-N 2.98Å; M317-I467 CarbonylContact C-O 3.48Å; M317-I467 WeakPolarHBondContact CA-O 3.33Å; M317-I467 HydrophobicContact CE-CG2 4.25Å; M317-I467 HydrophobicContact SD-CB 3.65Å; M317-I467 HydrophobicContact SD-CG2 3.46Å; M317-I467 WeakPolarHBondContact SD-CG2 3.5Å; V318-I467 PolarHBondContact N-O 2.87Å; M329-I467 HydrophobicContact CG-CG2 3.9Å; M329-I467 HydrophobicContact SD-CG2 4.16Å; N330-I467 CarbonylContact O-C 3.19Å; N330-I467 WeakPolarHBondContact O-CA 3.42Å; I331-I467 HydrophobicContact CG1-CG1 4.41Å; I331-I467 HydrophobicContact CG1-CG2 4.28Å; I331-I467 HydrophobicContact CG2-CG1 4.19Å; I407-I467 HydrophobicContact CD1-CD1 3.69Å; I407-I467 HydrophobicContact CD1-CG2 4.36Å; I407-I467 HydrophobicContact CG1-CD1 4.38Å; I407-I467 HydrophobicContact CG2-CD1 4.4Å; I467-V469 HydrophobicContact CG2-CG2 4.29Å; I467-I494 HydrophobicContact CD1-CD1 4.14Å; I467-I494 HydrophobicContact CG1-CD1 4.43Å; I467-W502 HydrophobicContact CD1-CH2 3.81Å; I467-W502 HydrophobicContact CD1-CZ3 3.78Å
468	F	97.7	Very high	94.9	Very high	6 Å²	6	38.1 Å²	38.1	3%	0.026	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	130	176.1	-63.8	-102.1	0	0	0	109.3	L217 E221 L224 V318 V320 M329 N330 R466 L470	L217-F468 HydrophobicContact CD1-CB 4.16Å; L217-F468 HydrophobicContact CD1-CD1 3.74Å; L217-F468 HydrophobicContact CD1-CE1 4.45Å; L217-F468 HydrophobicContact CD1-CG 4.15Å; E221-F468 HydrophobicContact CB-CE1 4.39Å; E221-F468 HydrophobicContact CB-CZ 4.03Å; E221-F468 HydrophobicContact CG-CE2 4.09Å; E221-F468 HydrophobicContact CG-CZ 3.75Å; L224-F468 HydrophobicContact CD1-CE1 4.24Å; V318-F468 HydrophobicContact CB-CD1 3.64Å; V318-F468 HydrophobicContact CB-CE1 3.9Å; V318-F468 HydrophobicContact CB-CG 4.24Å; V318-F468 HydrophobicContact CG1-CD1 3.82Å; V318-F468 HydrophobicContact CG1-CE1 3.96Å; V318-F468 HydrophobicContact CG2-CD1 4.17Å; V318-F468 HydrophobicContact CG2-CE1 3.96Å; V318-F468 HydrophobicContact CG2-CZ 4.36Å; V318-F468 CarbonylContact O-C 3.57Å; V318-F468 VanDerWaalsContact O-CA 3.28Å; V318-F468 WeakPolarHBondContact O-CA 3.29Å; V320-F468 HydrophobicContact CG2-CD1 4.38Å; M329-F468 CarbonylContact C-O 3.58Å; M329-F468 VanDerWaalsContact CA-O 3.24Å; M329-F468 WeakPolarHBondContact CA-O 3.39Å; N330-F468 HydrophobicContact CB-CB 4.37Å; N330-F468 PolarHBondContact N-O 2.82Å; N330-F468 PolarHBondContact O-N 2.82Å; R466-F468 HydrophobicContact CB-CE2 4.07Å; F468-L470 HydrophobicContact CB-CD1 4.31Å
469	V	97.6	Very high	94.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	116.8	178.6	-169.9	0	0	0	0	109.1	M317 V318 Y319 V320 Q328 M329 L395 L400 I403 I467 F474	M317-V469 HydrophobicContact SD-CG2 3.64Å; V318-V469 PolarHBondContact O-N 2.88Å; Y319-V469 CarbonylContact C-O 3.6Å; Y319-V469 WeakPolarHBondContact CA-O 3.34Å; Y319-V469 HydrophobicContact CD1-CB 4.05Å; Y319-V469 HydrophobicContact CE1-CB 4.38Å; Y319-V469 HydrophobicContact CE1-CG2 4.41Å; V320-V469 PolarHBondContact N-O 3.38Å; Q328-V469 CarbonylContact O-C 3.58Å; Q328-V469 WeakPolarHBondContact O-CA 3.45Å; M329-V469 HydrophobicContact CG-CG2 4.3Å; L395-V469 HydrophobicContact CD1-CG1 4.49Å; L400-V469 HydrophobicContact CD1-CG1 3.97Å; I403-V469 HydrophobicContact CD1-CG1 3.59Å; I403-V469 HydrophobicContact CD1-CG2 4.18Å; I467-V469 HydrophobicContact CG2-CG2 4.29Å; V469-F474 HydrophobicContact CB-CE2 4.19Å; V469-F474 HydrophobicContact CG1-CE2 3.72Å; V469-F474 HydrophobicContact CG1-CZ 3.89Å
470	L	96.7	Very high	94.7	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	121.9	-177.1	-68.1	72.6	0	0	0	109.1	L217 V320 P322 I326 H327 Q328 F468	L217-L470 HydrophobicContact CD1-CD1 4.09Å; L217-L470 HydrophobicContact CD2-CD1 3.98Å; L217-L470 HydrophobicContact CD2-CD2 4.15Å; V320-L470 HydrophobicContact CB-CG 4.09Å; V320-L470 HydrophobicContact CG1-CG 4.46Å; V320-L470 WeakPolarHBondContact O-CA 3.49Å; P322-L470 HydrophobicContact CG-CB 4.39Å; I326-L470 HydrophobicContact CD1-CD2 4.13Å; H327-L470 WeakPolarHBondContact CA-O 3.04Å; Q328-L470 HydrophobicContact CB-CB 4.33Å; Q328-L470 PolarHBondContact N-O 3.48Å; Q328-L470 VanDerWaalsContact N-O 3.09Å; Q328-L470 PolarHBondContact O-N 2.99Å; F468-L470 HydrophobicContact CB-CD1 4.31Å
471	S	95.3	Very high	94.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.243	C	C	.	.			trans	-165	142.9	168.6	-176.8	0	0	0	0	112.4	V320 P322 I326 H327 T473 F474	V320-S471 PolarHBondContact O-N 2.75Å; P322-S471 VanDerWaalsContact CD-C 3.42Å; I326-S471 WeakPolarHBondContact O-CA 3.36Å; H327-S471 PolarHBondContact CE1-OG 3.04Å; H327-S471 PolarHBondContact ND1-OG 2.95Å; S471-T473 WeakPolarHBondContact CB-OG1 3.29Å; S471-T473 PolarHBondContact O-N 3.44Å; S471-T473 WeakPolarHBondContact OG-CG2 3.36Å; S471-T473 PolarHBondContact OG-N 2.74Å; S471-T473 PolarHBondContact OG-OG1 3.12Å; S471-F474 WeakPolarHBondContact O-CD2 3.29Å; S471-F474 PolarHBondContact O-N 2.89Å
472	K	92.9	Very high	94.5	Very high	79 Å²	79	44.7 Å²	44.7	34%	0.343	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-60.6	-21.7	171	-76.9	-175.9	171.2	170.4	0	113.9	P322 L323 N324 D325 F474 T475	P322-K472 HydrophobicContact CG-CG 4.41Å; L323-K472 WeakPolarHBondContact O-CE 3.17Å; L323-K472 PolarHBondContact O-NZ 3.41Å; N324-K472 WeakPolarHBondContact O-CE 3.3Å; D325-K472 HydrophobicContact CB-CD 4.3Å; K472-F474 PolarHBondContact O-N 3.27Å; K472-F474 VanDerWaalsContact O-N 3.09Å; K472-T475 WeakPolarHBondContact O-CB 3.34Å; K472-T475 PolarHBondContact O-N 2.79Å; K472-T475 VanDerWaalsContact O-N 3.09Å; K472-T475 PolarHBondContact O-OG1 3.21Å
473	T	92.6	Very high	94.3	Very high	77 Å²	77	47.7 Å²	47.7	47%	0.472	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-61.5	-16	176.5	60.4	0	0	0	0	113.5	L400 S471	L400-T473 HydrophobicContact CD2-CG2 4.12Å; L400-T473 WeakPolarHBondContact CD2-OG1 3.47Å; S471-T473 WeakPolarHBondContact CB-OG1 3.29Å; S471-T473 PolarHBondContact O-N 3.44Å; S471-T473 WeakPolarHBondContact OG-CG2 3.36Å; S471-T473 PolarHBondContact OG-N 2.74Å; S471-T473 PolarHBondContact OG-OG1 3.12Å
474	F	93.3	Very high	94	Very high	19 Å²	19	47.4 Å²	47.4	8%	0.083	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-90.7	3.5	177.8	-50.7	-48.4	0	0	0	114.2	Y319 V321 L400 V469 S471 K472 D476 K477 C478	Y319-F474 HydrophobicContact CD1-CD1 4.19Å; Y319-F474 HydrophobicContact CD1-CD2 4.13Å; Y319-F474 AromaticContact CD1-CE1 3.84Å; Y319-F474 HydrophobicContact CD1-CE1 3.84Å; Y319-F474 AromaticContact CD1-CE2 3.77Å; Y319-F474 HydrophobicContact CD1-CE2 3.77Å; Y319-F474 HydrophobicContact CD1-CG 4.33Å; Y319-F474 AromaticContact CD1-CZ 3.61Å; Y319-F474 HydrophobicContact CD1-CZ 3.61Å; Y319-F474 HydrophobicContact CE1-CE1 4.26Å; Y319-F474 HydrophobicContact CE1-CZ 4.11Å; V321-F474 HydrophobicContact CG2-CB 4.41Å; L400-F474 HydrophobicContact CD1-CE2 4.44Å; L400-F474 HydrophobicContact CD1-CZ 4.01Å; L400-F474 HydrophobicContact CD2-CZ 4.5Å; L400-F474 HydrophobicContact CG-CZ 4.44Å; V469-F474 HydrophobicContact CB-CE2 4.19Å; V469-F474 HydrophobicContact CG1-CE2 3.72Å; V469-F474 HydrophobicContact CG1-CZ 3.89Å; S471-F474 WeakPolarHBondContact O-CD2 3.29Å; S471-F474 PolarHBondContact O-N 2.89Å; K472-F474 PolarHBondContact O-N 3.27Å; K472-F474 VanDerWaalsContact O-N 3.09Å; F474-D476 PolarHBondContact O-N 3.2Å; F474-D476 VanDerWaalsContact O-N 3.1Å; F474-K477 PolarHBondContact O-N 3.33Å; F474-C478 PolarHBondContact O-N 3.49Å
475	T	91.2	Very high	93.7	Very high	68 Å²	68	46.1 Å²	46.1	42%	0.417	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-39.5	-175.7	-63	0	0	0	0	113.3	K472	K472-T475 WeakPolarHBondContact O-CB 3.34Å; K472-T475 PolarHBondContact O-N 2.79Å; K472-T475 VanDerWaalsContact O-N 3.09Å; K472-T475 PolarHBondContact O-OG1 3.21Å
476	D	91.3	Very high	93.5	Very high	154 Å²	154	53.3 Å²	53.3	82%	0.824	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-17.5	-177.9	-59.4	-31.4	0	0	0	113.7	F474	F474-D476 PolarHBondContact O-N 3.2Å; F474-D476 VanDerWaalsContact O-N 3.1Å
477	K	91.4	Very high	93.3	Very high	139 Å²	139	53.2 Å²	53.2	60%	0.604	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-29.8	-176.3	-62.9	-178.8	-177.9	176.2	0	112.9	F474 V479 L490	F474-K477 PolarHBondContact O-N 3.33Å; K477-V479 PolarHBondContact O-N 3.47Å; K477-L490 HydrophobicContact CB-CD2 4.29Å
478	C	93.2	Very high	93.2	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.02	28%	0.284	C	S	.	.			trans	-88.2	99.9	-175.4	-66.9	0	0	0	0	111.3	Y319 V321 F474 K488 Y489	Y319-C478 PolarHBondContact O-SG 2.93Å; V321-C478 HydrophobicContact CG2-CB 3.57Å; F474-C478 PolarHBondContact O-N 3.49Å; C478-K488 HydrophobicContact CB-CB 4.15Å; C478-Y489 WeakPolarHBondContact CA-O 3.44Å; C478-Y489 VanDerWaalsContact SG-C 3.58Å
479	V	90.9	Very high	93.2	Very high	119 Å²	119	57.7 Å²	57.7	72%	0.721	29%	0.286	S	S	*	.			trans	-104.3	-21.9	-177.7	-62.8	0	0	0	0	113.7	K477	K477-V479 PolarHBondContact O-N 3.47Å
480	E	94.1	Very high	93.2	Very high	80 Å²	80	59.9 Å²	59.9	37%	0.374	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	146	177.2	-66.7	177.4	-119.4	0	0	110.3	K488 Y489	E480-K488 CarbonylContact O-C 3.58Å; E480-K488 VanDerWaalsContact O-CA 3.22Å; E480-K488 WeakPolarHBondContact O-CA 3.28Å; E480-Y489 HydrophobicContact CB-CD1 4.12Å; E480-Y489 HydrophobicContact CB-CD2 4.35Å; E480-Y489 HydrophobicContact CB-CE1 3.71Å; E480-Y489 HydrophobicContact CB-CE2 3.9Å; E480-Y489 HydrophobicContact CB-CG 4.42Å; E480-Y489 HydrophobicContact CG-CE2 4.46Å; E480-Y489 PolarHBondContact N-O 2.75Å; E480-Y489 PolarHBondContact O-N 2.77Å; E480-Y489 VanDerWaalsContact OE2-CE2 3.27Å; E480-Y489 WeakPolarHBondContact OE2-CE2 3.18Å; E480-Y489 PolarHBondContact OE2-OH 2.96Å
481	E	94.5	Very high	93.1	Very high	98 Å²	98	61.4 Å²	61.4	46%	0.458	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	130	178.8	-72.6	-177.5	175.6	0	0	110.7	T487 K488	E481-T487 WeakPolarHBondContact CA-O 3.22Å; E481-K488 HydrophobicContact CG-CG 3.84Å; E481-K488 WeakPolarHBondContact OE1-CE 3.49Å
482	E	93.9	Very high	93.1	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.324	C	S	.	.			trans	-65.7	132.1	169.8	-172.1	-78.3	124.2	0	0	110.1	L220 N223 W484 Y485 Y486 T487	L220-E482 HydrophobicContact CB-CG 4.31Å; L220-E482 HydrophobicContact CD1-CB 4.1Å; L220-E482 HydrophobicContact CD1-CG 4.27Å; N223-E482 HydrophobicContact CB-CG 4.08Å; E482-W484 PolarHBondContact O-N 2.77Å; E482-W484 WeakPolarHBondContact OE1-CB 3.32Å; E482-W484 PolarHBondContact OE1-N 3.31Å; E482-W484 PolarHBondContact OE2-N 3.05Å; E482-Y485 WeakPolarHBondContact OE2-CB 3.28Å; E482-Y485 PolarHBondContact OE2-N 2.87Å; E482-Y486 WeakPolarHBondContact O-CA 3.41Å; E482-Y486 PolarHBondContact O-N 3.18Å; E482-T487 PolarHBondContact N-O 3.42Å
483	P	90.9	Very high	93.3	Very high	68 Å²	68	65 Å²	65	44%	0.442	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-32.9	-167.4	-27.6	35.2	0	0	0	117.6
484	W	90.2	Very high	93.5	Very high	49 Å²	49	61.8 Å²	61.8	19%	0.186	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-41.8	-170	-62	105.7	0	0	0	112.7	H206 Q219 F234 Y240 E482	H206-W484 PolarHBondContact CE1-O 3.16Å; Q219-W484 HydrophobicContact CG-CB 4.35Å; F234-W484 HydrophobicContact CB-CD2 3.79Å; F234-W484 VanDerWaalsContact CB-CE2 3.44Å; F234-W484 HydrophobicContact CB-CE3 4.49Å; F234-W484 HydrophobicContact CB-CG 4Å; F234-W484 HydrophobicContact CB-CZ2 3.89Å; F234-W484 AromaticContact CD1-CD2 3.58Å; F234-W484 HydrophobicContact CD1-CD2 3.58Å; F234-W484 AromaticContact CD1-CE2 3.96Å; F234-W484 AromaticContact CD1-CE3 3.46Å; F234-W484 HydrophobicContact CD1-CE3 3.46Å; F234-W484 VanDerWaalsContact CD1-CE3 3.46Å; F234-W484 HydrophobicContact CD1-CG 4.16Å; F234-W484 HydrophobicContact CD1-CH2 4.11Å; F234-W484 HydrophobicContact CD1-CZ2 4.22Å; F234-W484 AromaticContact CD1-CZ3 3.74Å; F234-W484 HydrophobicContact CD1-CZ3 3.74Å; F234-W484 HydrophobicContact CD2-CB 3.98Å; F234-W484 HydrophobicContact CD2-CD2 4.05Å; F234-W484 AromaticContact CD2-CG 3.73Å; F234-W484 HydrophobicContact CD2-CG 3.73Å; F234-W484 HydrophobicContact CE1-CD2 4.13Å; F234-W484 AromaticContact CE1-CE3 3.7Å; F234-W484 HydrophobicContact CE1-CE3 3.7Å; F234-W484 HydrophobicContact CE1-CZ3 4.12Å; F234-W484 HydrophobicContact CE2-CB 4.06Å; F234-W484 HydrophobicContact CE2-CG 4.25Å; F234-W484 HydrophobicContact CG-CB 4.39Å; F234-W484 AromaticContact CG-CD1 3.98Å; F234-W484 AromaticContact CG-CD2 3.53Å; F234-W484 HydrophobicContact CG-CD2 3.53Å; F234-W484 AromaticContact CG-CE2 3.77Å; F234-W484 AromaticContact CG-CE3 3.95Å; F234-W484 HydrophobicContact CG-CE3 3.95Å; F234-W484 AromaticContact CG-CG 3.7Å; F234-W484 HydrophobicContact CG-CG 3.7Å; F234-W484 HydrophobicContact CG-CZ2 4.34Å; F234-W484 HydrophobicContact CG-CZ3 4.49Å; F234-W484 HydrophobicContact CZ-CE3 4.39Å; Y240-W484 HydrophobicContact CD1-CH2 4.35Å; Y240-W484 HydrophobicContact CD1-CZ3 4.03Å; E482-W484 PolarHBondContact O-N 2.77Å; E482-W484 WeakPolarHBondContact OE1-CB 3.32Å; E482-W484 PolarHBondContact OE1-N 3.31Å; E482-W484 PolarHBondContact OE2-N 3.05Å
485	Y	89.7	Confident	93.6	Very high	5 Å²	5	64.5 Å²	64.5	2%	0.02	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-4.1	-177.6	-66.9	-63.1	0	0	0	113.7	H206 D209 S210 R216 Q219 F234 S236 E482 T487	H206-Y485 AromaticContact CE1-CD1 3.66Å; H206-Y485 AromaticContact CE1-CE1 3.36Å; H206-Y485 WeakPolarHBondContact CE1-CE1 3.22Å; H206-Y485 AromaticContact ND1-CE1 3.27Å; H206-Y485 VanDerWaalsContact ND1-CE1 3.27Å; H206-Y485 WeakPolarHBondContact ND1-CE1 2.97Å; H206-Y485 AromaticContact ND1-CZ 3.72Å; D209-Y485 HydrophobicContact CB-CE1 4.3Å; S210-Y485 VanDerWaalsContact CA-CE1 3.42Å; S210-Y485 VanDerWaalsContact N-CE1 3.28Å; S210-Y485 VanDerWaalsContact OG-CD1 3.25Å; S210-Y485 WeakPolarHBondContact OG-CD1 2.91Å; S210-Y485 WeakPolarHBondContact OG-CE1 3.48Å; R216-Y485 HydrophobicContact CG-CD1 4.37Å; R216-Y485 HydrophobicContact CG-CD2 4.39Å; R216-Y485 HydrophobicContact CG-CG 3.91Å; R216-Y485 PolarHBondContact NH1-O 3.22Å; Q219-Y485 HydrophobicContact CB-CD2 3.55Å; Q219-Y485 HydrophobicContact CB-CE2 3.64Å; Q219-Y485 HydrophobicContact CG-CD2 3.7Å; Q219-Y485 HydrophobicContact CG-CE2 3.81Å; F234-Y485 HydrophobicContact CE2-CE2 4.06Å; S236-Y485 PolarHBondContact OG-OH 3.19Å; E482-Y485 WeakPolarHBondContact OE2-CB 3.28Å; E482-Y485 PolarHBondContact OE2-N 2.87Å; Y485-T487 VanDerWaalsContact C-N 3.25Å; Y485-T487 PolarHBondContact O-N 3.37Å
486	Y	90.9	Very high	93.9	Very high	150 Å²	150	66.4 Å²	66.4	59%	0.588	34%	0.338	S	S	*	.			trans	58.6	40.4	-178.4	-46.8	-80.7	0	0	0	111.6	R216 E482 K488	R216-Y486 PolarHBondContact NH1-O 3.24Å; E482-Y486 WeakPolarHBondContact O-CA 3.41Å; E482-Y486 PolarHBondContact O-N 3.18Å; Y486-K488 PolarHBondContact O-N 3Å
487	T	92.7	Very high	94.1	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.006	33%	0.327	C	S	.	.			trans	-74.6	117.5	178.7	-53.8	0	0	0	0	108.9	R216 L220 V320 E481 E482 Y485 Y489	R216-T487 HydrophobicContact CB-CG2 4.42Å; R216-T487 WeakPolarHBondContact CB-OG1 3.38Å; R216-T487 PolarHBondContact NE-OG1 3.08Å; L220-T487 HydrophobicContact CD2-CG2 4.2Å; V320-T487 HydrophobicContact CG1-CG2 3.63Å; E481-T487 WeakPolarHBondContact CA-O 3.22Å; E482-T487 PolarHBondContact N-O 3.42Å; Y485-T487 VanDerWaalsContact C-N 3.25Å; Y485-T487 PolarHBondContact O-N 3.37Å; T487-Y489 WeakPolarHBondContact O-CD1 3.49Å
488	K	96	Very high	94.3	Very high	84 Å²	84	57.9 Å²	57.9	37%	0.365	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	127.8	178.8	-71.2	-176.3	176.4	-167	0	111	V321 C478 E480 E481 Y486	V321-K488 HydrophobicContact CB-CB 4.09Å; V321-K488 HydrophobicContact CG2-CB 4.08Å; V321-K488 PolarHBondContact N-O 2.68Å; C478-K488 HydrophobicContact CB-CB 4.15Å; E480-K488 CarbonylContact O-C 3.58Å; E480-K488 VanDerWaalsContact O-CA 3.22Å; E480-K488 WeakPolarHBondContact O-CA 3.28Å; E481-K488 HydrophobicContact CG-CG 3.84Å; E481-K488 WeakPolarHBondContact OE1-CE 3.49Å; Y486-K488 PolarHBondContact O-N 3Å
489	Y	97.5	Very high	94.4	Very high	17 Å²	17	57.9 Å²	57.9	7%	0.067	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	171.9	178.9	74.3	-85.7	0	0	0	113	L220 L224 V318 Y319 C478 E480 T487 A491	L220-Y489 HydrophobicContact CD1-CD1 3.37Å; L220-Y489 HydrophobicContact CD1-CD2 4.27Å; L220-Y489 HydrophobicContact CD1-CE1 3.61Å; L220-Y489 HydrophobicContact CD1-CG 3.74Å; L220-Y489 HydrophobicContact CD2-CD1 4.31Å; L220-Y489 HydrophobicContact CD2-CG 4.11Å; L224-Y489 HydrophobicContact CD1-CD2 4.41Å; L224-Y489 HydrophobicContact CD1-CE2 4.36Å; L224-Y489 HydrophobicContact CD2-CE2 3.8Å; V318-Y489 HydrophobicContact CG1-CD2 4.18Å; Y319-Y489 CarbonylContact O-C 3.39Å; Y319-Y489 WeakPolarHBondContact O-CA 3.39Å; Y319-Y489 VanDerWaalsContact O-CB 3.27Å; Y319-Y489 WeakPolarHBondContact O-CB 3.48Å; C478-Y489 WeakPolarHBondContact CA-O 3.44Å; C478-Y489 VanDerWaalsContact SG-C 3.58Å; E480-Y489 HydrophobicContact CB-CD1 4.12Å; E480-Y489 HydrophobicContact CB-CD2 4.35Å; E480-Y489 HydrophobicContact CB-CE1 3.71Å; E480-Y489 HydrophobicContact CB-CE2 3.9Å; E480-Y489 HydrophobicContact CB-CG 4.42Å; E480-Y489 HydrophobicContact CG-CE2 4.46Å; E480-Y489 PolarHBondContact N-O 2.75Å; E480-Y489 PolarHBondContact O-N 2.77Å; E480-Y489 VanDerWaalsContact OE2-CE2 3.27Å; E480-Y489 WeakPolarHBondContact OE2-CE2 3.18Å; E480-Y489 PolarHBondContact OE2-OH 2.96Å; T487-Y489 WeakPolarHBondContact O-CD1 3.49Å; Y489-A491 HydrophobicContact CD2-CB 4.13Å; Y489-A491 HydrophobicContact CE2-CB 3.98Å
490	L	97.2	Very high	94.6	Very high	45 Å²	45	54.2 Å²	54.2	24%	0.236	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	115.2	168.4	170.2	64.7	0	0	0	107.8	V318 Y319 K477 T492	V318-L490 CarbonylContact C-O 3.57Å; V318-L490 WeakPolarHBondContact CA-O 3.29Å; Y319-L490 HydrophobicContact CD2-CD2 4.42Å; Y319-L490 PolarHBondContact N-O 2.9Å; Y319-L490 PolarHBondContact O-N 3.01Å; K477-L490 HydrophobicContact CB-CD2 4.29Å; L490-T492 HydrophobicContact CD1-CG2 4.16Å; L490-T492 HydrophobicContact CD2-CG2 4.32Å; L490-T492 HydrophobicContact CG-CG2 3.99Å
491	A	95.7	Very high	94.6	Very high	34 Å²	34	54.4 Å²	54.4	28%	0.281	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	127.2	176.8	0	0	0	0	0	110.2	V318 Y489	V318-A491 HydrophobicContact CG2-CB 4.21Å; Y489-A491 HydrophobicContact CD2-CB 4.13Å; Y489-A491 HydrophobicContact CE2-CB 3.98Å
492	T	95.9	Very high	94.7	Very high	49 Å²	49	49.9 Å²	49.9	30%	0.301	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	149.7	-178.1	54.6	0	0	0	0	111	K316 M317 L490	K316-T492 CarbonylContact C-O 3.58Å; K316-T492 WeakPolarHBondContact CA-O 2.91Å; M317-T492 PolarHBondContact N-O 2.68Å; M317-T492 PolarHBondContact O-N 2.75Å; M317-T492 PolarHBondContact O-OG1 2.9Å; M317-T492 VanDerWaalsContact O-OG1 3.08Å; L490-T492 HydrophobicContact CD1-CG2 4.16Å; L490-T492 HydrophobicContact CD2-CG2 4.32Å; L490-T492 HydrophobicContact CG-CG2 3.99Å
493	D	96.3	Very high	94.7	Very high	106 Å²	106	53.5 Å²	53.5	57%	0.567	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	135.5	166.2	-73.4	-59.6	0	0	0	110.1	K316 P495	K316-D493 WeakPolarHBondContact CD-OD1 3.22Å; K316-D493 VanDerWaalsContact CE-OD1 3.24Å; K316-D493 WeakPolarHBondContact CE-OD1 3.49Å; K316-D493 IonicContact NZ-OD1 3.5Å; K316-D493 PolarHBondContact NZ-OD1 3.28Å; K316-D493 IonicContact NZ-OD2 3.04Å; K316-D493 PolarHBondContact NZ-OD2 3.46Å; K316-D493 VanDerWaalsContact NZ-OD2 3.14Å; D493-P495 WeakPolarHBondContact O-CD 2.95Å
494	I	96.5	Very high	94.8	Very high	10 Å²	10	56.6 Å²	56.6	5%	0.051	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-67.8	126.1	172.8	-62.5	161.5	0	0	0	107.6	K315 M317 I467 E496 T498 L499 W502	K315-I494 WeakPolarHBondContact O-CG1 3.38Å; K315-I494 PolarHBondContact O-N 3.22Å; M317-I494 HydrophobicContact CB-CG1 3.95Å; I467-I494 HydrophobicContact CD1-CD1 4.14Å; I467-I494 HydrophobicContact CG1-CD1 4.43Å; I494-E496 PolarHBondContact O-N 3.21Å; I494-T498 HydrophobicContact CG2-CG2 4.06Å; I494-L499 HydrophobicContact CB-CD1 4.44Å; I494-L499 HydrophobicContact CB-CD2 4.1Å; I494-L499 HydrophobicContact CB-CG 4.11Å; I494-L499 HydrophobicContact CD1-CD2 4.36Å; I494-L499 HydrophobicContact CG2-CD2 3.8Å; I494-L499 HydrophobicContact CG2-CG 3.73Å; I494-W502 HydrophobicContact CD1-CH2 4.5Å; I494-W502 HydrophobicContact CD1-CZ3 3.89Å; I494-W502 HydrophobicContact CG1-CZ3 4.49Å; I494-W502 HydrophobicContact CG2-CE3 4.47Å; I494-W502 HydrophobicContact CG2-CH2 4.03Å; I494-W502 HydrophobicContact CG2-CZ3 3.72Å
495	P	96	Very high	94.7	Very high	76 Å²	76	54.8 Å²	54.8	49%	0.494	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-56.5	138.6	179.7	-26.2	34.5	0	0	0	112.2	D493 S497 T498 L499	D493-P495 WeakPolarHBondContact O-CD 2.95Å; P495-S497 PolarHBondContact O-N 3.3Å; P495-S497 VanDerWaalsContact O-N 3.15Å; P495-T498 WeakPolarHBondContact O-CA 3.44Å; P495-T498 WeakPolarHBondContact O-CB 2.98Å; P495-T498 PolarHBondContact O-N 3.34Å; P495-L499 PolarHBondContact O-N 2.78Å
496	E	96	Very high	94.8	Very high	108 Å²	108	58.5 Å²	58.5	51%	0.505	32%	0.319	S	S	.	.	H	α-helix	trans	-60	-29.5	-178.6	-173.2	57.7	-155.1	0	0	112.7	I494 T498 S500 R503	I494-E496 PolarHBondContact O-N 3.21Å; E496-T498 VanDerWaalsContact C-N 3.33Å; E496-T498 PolarHBondContact O-N 3.04Å; E496-S500 VanDerWaalsContact O-CB 3.26Å; E496-S500 WeakPolarHBondContact O-CB 3.4Å; E496-S500 PolarHBondContact O-N 3.11Å; E496-S500 PolarHBondContact O-OG 2.94Å; E496-R503 IonicContact OE1-CZ 3.14Å; E496-R503 IonicContact OE1-NH1 3.04Å; E496-R503 PolarHBondContact OE1-NH1 3.12Å; E496-R503 IonicContact OE1-NH2 3.71Å; E496-R503 PolarHBondContact OE1-NH2 3.06Å; E496-R503 IonicContact OE2-NH1 2.74Å; E496-R503 IonicContact OE2-NH2 3.16Å; E496-R503 PolarHBondContact OE2-NH2 2.87Å
497	S	95.4	Very high	94.6	Very high	84 Å²	84	55 Å²	55	59%	0.587	31%	0.314	S	S	*	.	H	α-helix	trans	-60.7	-41.2	171.3	55	0	0	0	0	112.3	P495 V501	P495-S497 PolarHBondContact O-N 3.3Å; P495-S497 VanDerWaalsContact O-N 3.15Å; S497-V501 WeakPolarHBondContact O-CG2 3.44Å; S497-V501 PolarHBondContact O-N 3.09Å
498	T	95.7	Very high	94.5	Very high	29 Å²	29	56.2 Å²	56.2	18%	0.178	32%	0.32	C	S	.	.	H	α-helix	trans	-72.7	-45.3	178.9	-55.7	0	0	0	0	110.7	I494 P495 E496 S500 V501 W502	I494-T498 HydrophobicContact CG2-CG2 4.06Å; P495-T498 WeakPolarHBondContact O-CA 3.44Å; P495-T498 WeakPolarHBondContact O-CB 2.98Å; P495-T498 PolarHBondContact O-N 3.34Å; E496-T498 VanDerWaalsContact C-N 3.33Å; E496-T498 PolarHBondContact O-N 3.04Å; T498-S500 VanDerWaalsContact C-N 3.27Å; T498-S500 PolarHBondContact O-N 2.92Å; T498-V501 PolarHBondContact O-N 3.43Å; T498-V501 VanDerWaalsContact O-N 3.16Å; T498-W502 HydrophobicContact CG2-CD2 4.03Å; T498-W502 HydrophobicContact CG2-CE3 4.33Å; T498-W502 HydrophobicContact CG2-CH2 3.67Å; T498-W502 HydrophobicContact CG2-CZ2 3.3Å; T498-W502 HydrophobicContact CG2-CZ3 4.19Å; T498-W502 PolarHBondContact O-N 3.2Å; T498-W502 VanDerWaalsContact O-N 3.09Å
499	L	95.5	Very high	94.3	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.016	34%	0.343	C	S	.	.	H	α-helix	trans	-57.5	-42.3	174.2	-69.8	172.5	0	0	0	111.3	K315 P462 I494 P495 V501 W502 R503	K315-L499 HydrophobicContact CB-CD1 4.13Å; K315-L499 HydrophobicContact CD-CD1 3.81Å; K315-L499 HydrophobicContact CG-CD1 3.99Å; K315-L499 HydrophobicContact CG-CD2 4.31Å; P462-L499 HydrophobicContact CB-CD2 3.98Å; I494-L499 HydrophobicContact CB-CD1 4.44Å; I494-L499 HydrophobicContact CB-CD2 4.1Å; I494-L499 HydrophobicContact CB-CG 4.11Å; I494-L499 HydrophobicContact CD1-CD2 4.36Å; I494-L499 HydrophobicContact CG2-CD2 3.8Å; I494-L499 HydrophobicContact CG2-CG 3.73Å; P495-L499 PolarHBondContact O-N 2.78Å; L499-V501 VanDerWaalsContact C-N 3.32Å; L499-V501 PolarHBondContact O-N 2.97Å; L499-W502 HydrophobicContact CD2-CE3 4.19Å; L499-W502 HydrophobicContact CD2-CZ3 4.43Å; L499-W502 PolarHBondContact O-N 3Å; L499-R503 WeakPolarHBondContact O-CB 3.5Å; L499-R503 VanDerWaalsContact O-CG 3.29Å; L499-R503 WeakPolarHBondContact O-CG 3.18Å; L499-R503 PolarHBondContact O-N 3.43Å
500	S	95.5	Very high	94	Very high	43 Å²	43	63.7 Å²	63.7	30%	0.301	37%	0.368	S	S	.	.	H	α-helix	trans	-61.1	-37.9	177.9	-64.9	0	0	0	0	112.9	E496 T498 N504	E496-S500 VanDerWaalsContact O-CB 3.26Å; E496-S500 WeakPolarHBondContact O-CB 3.4Å; E496-S500 PolarHBondContact O-N 3.11Å; E496-S500 PolarHBondContact O-OG 2.94Å; T498-S500 VanDerWaalsContact C-N 3.27Å; T498-S500 PolarHBondContact O-N 2.92Å; S500-N504 WeakPolarHBondContact O-CB 3.3Å; S500-N504 PolarHBondContact O-N 2.88Å; S500-N504 PolarHBondContact O-ND2 2.82Å
501	V	95	Very high	93.9	Very high	83 Å²	83	61.9 Å²	61.9	50%	0.503	36%	0.359	S	S	.	.	H	α-helix	trans	-65.3	-45.8	174.2	171.6	0	0	0	0	110.5	S497 T498 L499 N504 S505	S497-V501 WeakPolarHBondContact O-CG2 3.44Å; S497-V501 PolarHBondContact O-N 3.09Å; T498-V501 PolarHBondContact O-N 3.43Å; T498-V501 VanDerWaalsContact O-N 3.16Å; L499-V501 VanDerWaalsContact C-N 3.32Å; L499-V501 PolarHBondContact O-N 2.97Å; V501-N504 CarbonylContact O-C 3.38Å; V501-N504 PolarHBondContact O-N 2.49Å; V501-S505 PolarHBondContact O-N 2.53Å; V501-S505 VanDerWaalsContact O-N 3.08Å; V501-S505 PolarHBondContact O-OG 2.77Å
502	W	96.1	Very high	93.8	Very high	3 Å²	3	65.1 Å²	65.1	1%	0.011	36%	0.364	C	S	.	.	H	α-helix	trans	-67.2	-39.3	-179.7	-63.9	-18	0	0	0	113	I407 T408 Y411 P462 I467 I494 T498 L499 N504 S505	I407-W502 HydrophobicContact CB-CH2 4.48Å; I407-W502 HydrophobicContact CB-CZ2 3.87Å; I407-W502 HydrophobicContact CD1-CH2 3.76Å; I407-W502 HydrophobicContact CD1-CZ2 3.68Å; I407-W502 HydrophobicContact CG1-CZ2 4.4Å; I407-W502 HydrophobicContact CG2-CD2 3.73Å; I407-W502 VanDerWaalsContact CG2-CE2 3.44Å; I407-W502 HydrophobicContact CG2-CE3 4.05Å; I407-W502 HydrophobicContact CG2-CG 4.33Å; I407-W502 HydrophobicContact CG2-CH2 3.91Å; I407-W502 HydrophobicContact CG2-CZ2 3.56Å; I407-W502 HydrophobicContact CG2-CZ3 4.11Å; T408-W502 PolarHBondContact OG1-NE1 3.35Å; Y411-W502 HydrophobicContact CD2-CB 3.58Å; Y411-W502 HydrophobicContact CD2-CD2 4.2Å; Y411-W502 AromaticContact CD2-CG 3.74Å; Y411-W502 HydrophobicContact CD2-CG 3.74Å; Y411-W502 HydrophobicContact CE2-CB 3.85Å; Y411-W502 AromaticContact CE2-CD2 3.91Å; Y411-W502 HydrophobicContact CE2-CD2 3.91Å; Y411-W502 AromaticContact CE2-CE3 3.87Å; Y411-W502 HydrophobicContact CE2-CE3 3.87Å; Y411-W502 AromaticContact CE2-CG 3.91Å; Y411-W502 HydrophobicContact CE2-CG 3.91Å; Y411-W502 HydrophobicContact CG-CB 4.39Å; P462-W502 HydrophobicContact CB-CB 4.08Å; P462-W502 HydrophobicContact CB-CE3 4.39Å; P462-W502 HydrophobicContact CG-CB 3.6Å; I467-W502 HydrophobicContact CD1-CH2 3.81Å; I467-W502 HydrophobicContact CD1-CZ3 3.78Å; I494-W502 HydrophobicContact CD1-CH2 4.5Å; I494-W502 HydrophobicContact CD1-CZ3 3.89Å; I494-W502 HydrophobicContact CG1-CZ3 4.49Å; I494-W502 HydrophobicContact CG2-CE3 4.47Å; I494-W502 HydrophobicContact CG2-CH2 4.03Å; I494-W502 HydrophobicContact CG2-CZ3 3.72Å; T498-W502 HydrophobicContact CG2-CD2 4.03Å; T498-W502 HydrophobicContact CG2-CE3 4.33Å; T498-W502 HydrophobicContact CG2-CH2 3.67Å; T498-W502 HydrophobicContact CG2-CZ2 3.3Å; T498-W502 HydrophobicContact CG2-CZ3 4.19Å; T498-W502 PolarHBondContact O-N 3.2Å; T498-W502 VanDerWaalsContact O-N 3.09Å; L499-W502 HydrophobicContact CD2-CE3 4.19Å; L499-W502 HydrophobicContact CD2-CZ3 4.43Å; L499-W502 PolarHBondContact O-N 3Å; W502-N504 VanDerWaalsContact C-N 3.3Å; W502-N504 PolarHBondContact O-N 2.92Å; W502-S505 WeakPolarHBondContact CA-OG 3.34Å; W502-S505 WeakPolarHBondContact O-CB 3.12Å; W502-S505 PolarHBondContact O-N 2.76Å; W502-S505 PolarHBondContact O-OG 2.86Å
503	R	94.5	Very high	93.7	Very high	77 Å²	77	64 Å²	64	29%	0.291	36%	0.355	S	S	.	.	H	α-helix	trans	-62	-38.3	176.5	-72.4	-175.5	-156.2	117.1	-3.3	111.9	P462 D463 E496 L499	P462-R503 HydrophobicContact CB-CG 4.25Å; P462-R503 HydrophobicContact CG-CG 4.04Å; D463-R503 VanDerWaalsContact CG-NE 3.32Å; D463-R503 IonicContact OD1-CZ 3.29Å; D463-R503 VanDerWaalsContact OD1-CZ 3.25Å; D463-R503 IonicContact OD1-NE 3.91Å; D463-R503 PolarHBondContact OD1-NE 2.8Å; D463-R503 IonicContact OD1-NH2 3.94Å; D463-R503 PolarHBondContact OD1-NH2 3.39Å; D463-R503 IonicContact OD2-CZ 3.72Å; D463-R503 IonicContact OD2-NE 2.69Å; D463-R503 PolarHBondContact OD2-NE 3.26Å; D463-R503 IonicContact OD2-NH2 2.6Å; E496-R503 IonicContact OE1-CZ 3.14Å; E496-R503 IonicContact OE1-NH1 3.04Å; E496-R503 PolarHBondContact OE1-NH1 3.12Å; E496-R503 IonicContact OE1-NH2 3.71Å; E496-R503 PolarHBondContact OE1-NH2 3.06Å; E496-R503 IonicContact OE2-NH1 2.74Å; E496-R503 IonicContact OE2-NH2 3.16Å; E496-R503 PolarHBondContact OE2-NH2 2.87Å; L499-R503 WeakPolarHBondContact O-CB 3.5Å; L499-R503 VanDerWaalsContact O-CG 3.29Å; L499-R503 WeakPolarHBondContact O-CG 3.18Å; L499-R503 PolarHBondContact O-N 3.43Å
504	N	92.7	Very high	93.6	Very high	133 Å²	133	59.1 Å²	59.1	71%	0.711	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	15.7	-175.6	-61.9	-56.1	0	0	0	113.6	S500 V501 W502 S506	S500-N504 WeakPolarHBondContact O-CB 3.3Å; S500-N504 PolarHBondContact O-N 2.88Å; S500-N504 PolarHBondContact O-ND2 2.82Å; V501-N504 CarbonylContact O-C 3.38Å; V501-N504 PolarHBondContact O-N 2.49Å; W502-N504 VanDerWaalsContact C-N 3.3Å; W502-N504 PolarHBondContact O-N 2.92Å; N504-S506 PolarHBondContact O-N 3.07Å
505	S	88.8	Confident	93.4	Very high	10 Å²	10	64.8 Å²	64.8	7%	0.07	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-64.1	118.2	-178	-74.1	0	0	0	0	111	N415 V501 W502	N415-S505 PolarHBondContact ND2-O 3.07Å; V501-S505 PolarHBondContact O-N 2.53Å; V501-S505 VanDerWaalsContact O-N 3.08Å; V501-S505 PolarHBondContact O-OG 2.77Å; W502-S505 WeakPolarHBondContact CA-OG 3.34Å; W502-S505 WeakPolarHBondContact O-CB 3.12Å; W502-S505 PolarHBondContact O-N 2.76Å; W502-S505 PolarHBondContact O-OG 2.86Å
506	S	90	Very high	93.2	Very high	83 Å²	83	64.9 Å²	64.9	58%	0.58	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-67.4	166	175.8	65.1	0	0	0	0	111.6	Q412 N504	Q412-S506 VanDerWaalsContact CB-O 3.28Å; Q412-S506 WeakPolarHBondContact CB-O 3.32Å; Q412-S506 WeakPolarHBondContact CG-O 3.23Å; Q412-S506 PolarHBondContact NE2-O 3.06Å; N504-S506 PolarHBondContact O-N 3.07Å
507	T	88.1	Confident	92.8	Very high	77 Å²	77	62.1 Å²	62.1	47%	0.472	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-63.4	152.2	169.9	54.9	0	0	0	0	111	M416	M416-T507 HydrophobicContact CB-CG2 3.95Å
508	N	90.7	Very high	92.5	Very high	26 Å²	26	62 Å²	62	14%	0.139	34%	0.342	C	S	.	.			trans	-107.2	120.9	175.5	-178.5	-23.6	0	0	0	108.7	N409 Q412 E510 L511	N409-N508 PolarHBondContact OD1-ND2 3.13Å; Q412-N508 HydrophobicContact CB-CB 4.1Å; Q412-N508 PolarHBondContact OE1-ND2 2.79Å; N508-E510 PolarHBondContact O-N 3.49Å; N508-E510 PolarHBondContact OD1-N 3.26Å; N508-L511 HydrophobicContact CB-CB 4.45Å; N508-L511 HydrophobicContact CB-CD1 3.71Å; N508-L511 HydrophobicContact CB-CG 4.07Å; N508-L511 PolarHBondContact O-N 2.82Å
509	P	90.9	Very high	92.2	Very high	129 Å²	129	64.9 Å²	64.9	84%	0.838	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-16.8	-175.6	27.8	-36.1	0	0	0	114.6	L511	P509-L511 VanDerWaalsContact C-N 3.3Å
510	E	92.2	Very high	91.8	Very high	129 Å²	129	66.3 Å²	66.3	60%	0.603	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-20.1	174.1	-65	-170.5	-160.7	0	0	112.9	L365 N508	L365-E510 HydrophobicContact CD1-CB 4.39Å; L365-E510 WeakPolarHBondContact CD1-OE2 2.86Å; N508-E510 PolarHBondContact O-N 3.49Å; N508-E510 PolarHBondContact OD1-N 3.26Å
511	L	94.7	Very high	91.4	Very high	8 Å²	8	64.8 Å²	64.8	4%	0.042	35%	0.35	C	S	.	.			trans	-90.3	136.6	178.8	-62.5	170.2	0	0	0	110.1	G360 L362 L365 Q412 Y413 M416 N508 P509	G360-L511 WeakPolarHBondContact O-CA 3.41Å; L362-L511 HydrophobicContact CD2-CD1 4.19Å; L362-L511 HydrophobicContact CD2-CD2 4.18Å; L365-L511 HydrophobicContact CB-CD2 4.23Å; L365-L511 HydrophobicContact CD2-CD1 4.37Å; L365-L511 HydrophobicContact CD2-CD2 3.87Å; L365-L511 HydrophobicContact CD2-CG 4.17Å; Q412-L511 HydrophobicContact CB-CD1 4.45Å; Y413-L511 HydrophobicContact CD2-CB 3.86Å; Y413-L511 HydrophobicContact CD2-CD1 4.31Å; Y413-L511 HydrophobicContact CD2-CD2 4.4Å; Y413-L511 HydrophobicContact CD2-CG 4.41Å; Y413-L511 HydrophobicContact CE2-CB 4.46Å; M416-L511 VanDerWaalsContact SD-O 3.41Å; N508-L511 HydrophobicContact CB-CB 4.45Å; N508-L511 HydrophobicContact CB-CD1 3.71Å; N508-L511 HydrophobicContact CB-CG 4.07Å; N508-L511 PolarHBondContact O-N 2.82Å; P509-L511 VanDerWaalsContact C-N 3.3Å
512	R	93.9	Very high	91	Very high	101 Å²	101	65.5 Å²	65.5	38%	0.381	35%	0.354	S	S	.	.			trans	-152.9	163.3	-178	57.4	-178.4	-175.7	-172	13.5	111.2	R359 G360	R359-R512 PolarHBondContact O-NE 3.31Å; R359-R512 PolarHBondContact O-NH2 3.44Å; G360-R512 PolarHBondContact O-N 2.91Å
513	F	94.1	Very high	90.5	Very high	26 Å²	26	69.9 Å²	69.9	11%	0.114	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-58.1	151.4	167.1	-73.8	-87.6	0	0	0	110.7	L353 M416 L417 D420 K423 I426	L353-F513 HydrophobicContact CD1-CE1 4.18Å; L353-F513 HydrophobicContact CD2-CD1 4Å; L353-F513 HydrophobicContact CD2-CE1 4.41Å; M416-F513 HydrophobicContact CE-CD2 4.1Å; M416-F513 HydrophobicContact CE-CE2 4.07Å; L417-F513 HydrophobicContact CD2-CD1 4.1Å; L417-F513 HydrophobicContact CD2-CE1 3.4Å; L417-F513 VanDerWaalsContact CD2-CE1 3.4Å; L417-F513 HydrophobicContact CD2-CE2 4.25Å; L417-F513 HydrophobicContact CD2-CZ 3.49Å; L417-F513 VanDerWaalsContact CD2-CZ 3.49Å; D420-F513 HydrophobicContact CB-CE2 3.76Å; D420-F513 HydrophobicContact CB-CZ 4.03Å; K423-F513 HydrophobicContact CG-CD1 4.12Å; K423-F513 HydrophobicContact CG-CE1 4.19Å; K423-F513 HydrophobicContact CG-CG 4.41Å; I426-F513 HydrophobicContact CD1-CD1 3.74Å; I426-F513 HydrophobicContact CD1-CE1 4.4Å
514	P	94	Very high	90.2	Very high	4 Å²	4	71.1 Å²	71.1	3%	0.026	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-59.6	158	168.9	25.9	-32.3	0	0	0	110.8	Y352 L353 H356 W425 I426	Y352-P514 HydrophobicContact CE1-CG 4.33Å; L353-P514 HydrophobicContact CD2-CG 4.05Å; H356-P514 WeakPolarHBondContact CE1-CB 3.42Å; W425-P514 HydrophobicContact CH2-CB 4.33Å; W425-P514 HydrophobicContact CH2-CG 3.99Å; W425-P514 WeakPolarHBondContact CH2-O 3.45Å; W425-P514 WeakPolarHBondContact CZ2-O 3.46Å; I426-P514 HydrophobicContact CD1-CG 4.16Å
515	E	92	Very high	90	Very high	129 Å²	129	70.7 Å²	70.7	60%	0.603	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-82.4	154.7	166.4	-60.3	-62.7	156.1	0	0	109.1	W425 N517	W425-E515 VanDerWaalsContact CH2-C 3.5Å; E515-N517 PolarHBondContact O-N 3.46Å
516	P	91.1	Very high	89.9	Confident	77 Å²	77	74.5 Å²	74.5	50%	0.5	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-52.1	135.2	173.5	-26.7	35.2	0	0	0	112.2	W425 E429 P518	W425-P516 HydrophobicContact CD2-CG 4.21Å; W425-P516 HydrophobicContact CE3-CB 4.23Å; W425-P516 HydrophobicContact CE3-CG 4.16Å; W425-P516 HydrophobicContact CH2-CG 4.35Å; W425-P516 HydrophobicContact CZ2-CG 4.39Å; W425-P516 VanDerWaalsContact CZ3-CA 3.49Å; W425-P516 HydrophobicContact CZ3-CB 4.25Å; W425-P516 HydrophobicContact CZ3-CG 4.24Å; E429-P516 WeakPolarHBondContact OE1-CA 3.45Å; P516-P518 WeakPolarHBondContact O-CD 3.29Å
517	N	89.2	Confident	89.6	Confident	50 Å²	50	72.7 Å²	72.7	27%	0.267	39%	0.385	S	S	.	.			trans	-79	109.7	-174.9	-173.8	-10.8	0	0	0	111.5	E429 Y433 E515 F519 I520	E429-N517 PolarHBondContact OE1-N 2.82Å; Y433-N517 PolarHBondContact OH-ND2 2.81Å; E515-N517 PolarHBondContact O-N 3.46Å; N517-F519 PolarHBondContact O-N 2.99Å; N517-F519 WeakPolarHBondContact OD1-CB 3.21Å; N517-F519 PolarHBondContact OD1-N 3.25Å; N517-I520 HydrophobicContact CB-CD1 4.1Å; N517-I520 HydrophobicContact CB-CG1 4.08Å
518	P	89.1	Confident	89.3	Confident	82 Å²	82	77.6 Å²	77.6	53%	0.532	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-5.7	-177.1	34.1	-37	0	0	0	113.6	P516 K594	P516-P518 WeakPolarHBondContact O-CD 3.29Å; P518-K594 VanDerWaalsContact O-CE 3.29Å; P518-K594 WeakPolarHBondContact O-CE 3.32Å; P518-K594 PolarHBondContact O-NZ 3.23Å
519	F	89	Confident	88.4	Confident	89 Å²	89	80.1 Å²	80.1	39%	0.39	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	3.8	-177.2	-59.9	-73.9	0	0	0	113.9	N517 A521 V598	N517-F519 PolarHBondContact O-N 2.99Å; N517-F519 WeakPolarHBondContact OD1-CB 3.21Å; N517-F519 PolarHBondContact OD1-N 3.25Å; F519-A521 PolarHBondContact O-N 2.91Å; F519-V598 HydrophobicContact CB-CG2 4.38Å; F519-V598 HydrophobicContact CD1-CG2 3.37Å; F519-V598 HydrophobicContact CE1-CG2 3.79Å; F519-V598 HydrophobicContact CG-CG2 4.04Å
520	I	86.7	Confident	87.2	Confident	34 Å²	34	77.6 Å²	77.6	17%	0.174	39%	0.391	C	S	.	.			trans	-65.1	127.9	168.9	-64.2	176	0	0	0	108.6	E429 T432 Y433 N517	E429-I520 HydrophobicContact CB-CD1 4.02Å; E429-I520 HydrophobicContact CG-CD1 3.51Å; T432-I520 HydrophobicContact CG2-CG2 3.83Å; Y433-I520 HydrophobicContact CE2-CD1 4.18Å; Y433-I520 HydrophobicContact CE2-CG1 4.38Å; N517-I520 HydrophobicContact CB-CD1 4.1Å; N517-I520 HydrophobicContact CB-CG1 4.08Å
521	A	87.5	Confident	85.7	Confident	11 Å²	11	75.8 Å²	75.8	9%	0.091	38%	0.38	C	S	.	.			trans	-78.4	131.5	179.3	0	0	0	0	0	110.6	F519 F524 F591 Y593	F519-A521 PolarHBondContact O-N 2.91Å; A521-F524 HydrophobicContact CB-CE1 3.97Å; A521-F524 HydrophobicContact CB-CZ 4.22Å; A521-F524 VanDerWaalsContact O-CZ 3.32Å; A521-F524 WeakPolarHBondContact O-CZ 3.28Å; A521-F591 HydrophobicContact CB-CB 3.62Å; A521-F591 HydrophobicContact CB-CD2 4Å; A521-F591 HydrophobicContact CB-CG 3.94Å; A521-Y593 HydrophobicContact CB-CD1 4.37Å
522	T	86.3	Confident	83.7	Confident	98 Å²	98	81.9 Å²	81.9	60%	0.601	42%	0.42	S	S	*	.			trans	-113	-17.9	178.3	52.1	0	0	0	0	112.7	Y593	T522-Y593 WeakPolarHBondContact OG1-CE1 3.45Å
523	E	86.3	Confident	81.7	Confident	95 Å²	95	82 Å²	82	44%	0.444	43%	0.432	S	S	.	.			trans	-114.5	136	178.4	-65.1	170.3	-144.6	0	0	109.5	Y593	E523-Y593 HydrophobicContact CB-CD1 4.27Å; E523-Y593 HydrophobicContact CB-CD2 3.68Å; E523-Y593 HydrophobicContact CB-CE1 4.47Å; E523-Y593 HydrophobicContact CB-CE2 3.9Å; E523-Y593 HydrophobicContact CB-CG 3.87Å; E523-Y593 HydrophobicContact CG-CD2 4.13Å; E523-Y593 HydrophobicContact CG-CE1 4.44Å; E523-Y593 HydrophobicContact CG-CE2 3.8Å; E523-Y593 WeakPolarHBondContact O-CB 3.21Å; E523-Y593 WeakPolarHBondContact OE1-CE2 3.33Å; E523-Y593 VanDerWaalsContact OE1-CZ 3.22Å; E523-Y593 PolarHBondContact OE1-OH 2.82Å; E523-Y593 WeakPolarHBondContact OE2-CE2 3.37Å
524	F	87.8	Confident	79.9	Confident	102 Å²	102	87.1 Å²	87.1	45%	0.447	46%	0.46	S	S	.	.			trans	-131.1	24.3	-172.1	-63	-69.6	0	0	0	111.7	A521 P560 F591	A521-F524 HydrophobicContact CB-CE1 3.97Å; A521-F524 HydrophobicContact CB-CZ 4.22Å; A521-F524 VanDerWaalsContact O-CZ 3.32Å; A521-F524 WeakPolarHBondContact O-CZ 3.28Å; F524-P560 HydrophobicContact CB-CB 4.16Å; F524-P560 HydrophobicContact CB-CG 3.92Å; F524-P560 HydrophobicContact CD1-CB 4.34Å; F524-P560 HydrophobicContact CD1-CG 3.75Å; F524-P560 HydrophobicContact CG-CG 4.3Å; F524-P560 WeakPolarHBondContact O-CB 3.44Å; F524-F591 AromaticContact CD1-CD1 3.98Å; F524-F591 HydrophobicContact CD1-CD1 3.98Å; F524-F591 HydrophobicContact CD1-CE1 4.09Å; F524-F591 AromaticContact CE1-CD1 3.78Å; F524-F591 HydrophobicContact CE1-CD1 3.78Å; F524-F591 HydrophobicContact CE1-CD2 4.46Å; F524-F591 AromaticContact CE1-CE1 3.77Å; F524-F591 HydrophobicContact CE1-CE1 3.77Å; F524-F591 HydrophobicContact CE1-CE2 4.45Å; F524-F591 HydrophobicContact CE1-CG 4.13Å; F524-F591 HydrophobicContact CE1-CZ 4.11Å
525	D	87.3	Confident	78.3	Confident	125 Å²	125	88.5 Å²	88.5	67%	0.668	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-66.3	141.5	-176.4	-65.3	-31.2	0	0	0	111.9	N690	D525-N690 PolarHBondContact O-ND2 3.03Å
526	L	87.2	Confident	77.5	Confident	90 Å²	90	87.6 Å²	87.6	47%	0.471	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-92	132.1	174.7	-60.3	178.8	0	0	0	110.1	N558 P560 N690	L526-N558 HydrophobicContact CD1-CB 3.96Å; L526-N558 WeakPolarHBondContact CD1-O 3.48Å; L526-N558 WeakPolarHBondContact CD2-O 3.48Å; L526-P560 HydrophobicContact CD2-CB 4.4Å; L526-N690 WeakPolarHBondContact CA-OD1 3.33Å
527	V	85	Confident	77.3	Confident	45 Å²	45	87.4 Å²	87.4	27%	0.273	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-70	138.6	175.8	175.8	0	0	0	0	109.4	N690 T692	V527-N690 WeakPolarHBondContact CB-OD1 3.45Å; V527-N690 WeakPolarHBondContact CG2-OD1 3.18Å; V527-N690 PolarHBondContact N-OD1 3.23Å; V527-T692 HydrophobicContact CB-CG2 4.38Å; V527-T692 HydrophobicContact CG1-CG2 3.3Å; V527-T692 HydrophobicContact CG2-CG2 4.12Å
528	Q	80.4	Confident	77.4	Confident	180 Å²	180	85.2 Å²	85.2	84%	0.841	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-64.5	141.4	175.2	-69	-171.9	-5.9	0	0	111.9	K530 Q553	Q528-K530 PolarHBondContact O-N 3.29Å; Q528-Q553 PolarHBondContact O-NE2 3.44Å
529	N	71.6	Confident	77.5	Confident	78 Å²	78	84.1 Å²	84.1	42%	0.417	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-68.9	128.8	179.8	-74.7	-37	0	0	0	111.6	Y531 R555	N529-Y531 VanDerWaalsContact C-N 3.29Å; N529-Y531 PolarHBondContact O-N 3.05Å; N529-R555 WeakPolarHBondContact OD1-CG 3.35Å
530	K	67.1	Low	77.7	Confident	76 Å²	76	83 Å²	83	33%	0.33	44%	0.436	S	S	.	.	S	Bend	trans	-60.6	-32.5	179.8	-177	-178.1	170.6	-167.9	0	113.8	Q528 E539 Q553 E693	Q528-K530 PolarHBondContact O-N 3.29Å; K530-E539 IonicContact NZ-OE2 3.17Å; K530-Q553 VanDerWaalsContact N-OE1 3.1Å; K530-E693 VanDerWaalsContact CD-OE2 3.26Å; K530-E693 WeakPolarHBondContact CD-OE2 3.42Å; K530-E693 WeakPolarHBondContact CE-OE2 3.41Å; K530-E693 IonicContact NZ-OE1 2.78Å; K530-E693 PolarHBondContact NZ-OE1 3.41Å; K530-E693 IonicContact NZ-OE2 2.79Å; K530-E693 PolarHBondContact NZ-OE2 3.37Å
531	Y	59.3	Low	78.1	Confident	91 Å²	91	83 Å²	83	36%	0.357	44%	0.437	S	S	.	.			trans	-126.9	141.2	-177.5	-58.2	-77.7	0	0	0	111.6	N529 T533 E539 R555	N529-Y531 VanDerWaalsContact C-N 3.29Å; N529-Y531 PolarHBondContact O-N 3.05Å; Y531-T533 PolarHBondContact O-N 2.64Å; Y531-E539 WeakPolarHBondContact CE2-OE1 3.41Å; Y531-R555 PolarHBondContact O-NH1 3.31Å; Y531-R555 PolarHBondContact O-NH2 2.83Å
532	P	53.2	Low	78.4	Confident	136 Å²	136	83.7 Å²	83.7	88%	0.883	44%	0.438	S	S	*	.	S	Bend	trans	-70.9	-16.9	173.9	27.6	-32.5	0	0	0	113.3
533	T	51.8	Low	78.8	Confident	103 Å²	103	84.7 Å²	84.7	63%	0.632	44%	0.436	S	S	*	.	S	Bend	trans	-105	144.7	179.8	44.9	0	0	0	0	111.9	Y531 A535 R555	Y531-T533 PolarHBondContact O-N 2.64Å; T533-A535 PolarHBondContact O-N 3.48Å; T533-R555 PolarHBondContact O-NH1 2.79Å
534	N	55.5	Low	79.2	Confident	134 Å²	134	83.3 Å²	83.3	72%	0.717	43%	0.434	S	S	*	.			trans	-65.6	96.2	-178.7	-72.9	-13.2	0	0	0	111.6	E536	N534-E536 PolarHBondContact O-N 2.86Å
535	A	61.4	Low	79.4	Confident	34 Å²	34	84.3 Å²	84.3	28%	0.281	44%	0.444	S	S	.	.			trans	-67	118	160.1	0	0	0	0	0	107.6	T533 F552	T533-A535 PolarHBondContact O-N 3.48Å; A535-F552 WeakPolarHBondContact O-CE2 3.24Å
536	E	74.7	Confident	79.6	Confident	110 Å²	110	79.2 Å²	79.2	51%	0.514	42%	0.416	S	S	.	.			trans	-92.3	-13.3	-177.6	-68.4	178.9	166.9	0	0	113.2	N534 R861 K877	N534-E536 PolarHBondContact O-N 2.86Å; E536-R861 PolarHBondContact O-NH2 3.31Å; E536-R861 VanDerWaalsContact O-NH2 3.11Å; E536-K877 WeakPolarHBondContact OE2-CE 3.32Å; E536-K877 IonicContact OE2-NZ 3.65Å; E536-K877 PolarHBondContact OE2-NZ 3.38Å
537	I	86.3	Confident	79.9	Confident	73 Å²	73	74.9 Å²	74.9	37%	0.374	39%	0.394	S	S	.	.	S	Bend	trans	-125.8	152.2	-173.9	64.2	174.5	0	0	0	110.9	F552 F876 K877	I537-F552 WeakPolarHBondContact O-CD2 3.49Å; I537-F876 HydrophobicContact CB-CB 4.1Å; I537-F876 HydrophobicContact CB-CD2 4.3Å; I537-F876 HydrophobicContact CG2-CB 3.79Å; I537-K877 HydrophobicContact CG2-CD 4.23Å; I537-K877 HydrophobicContact CG2-CG 3.75Å
538	P	91.7	Very high	80.4	Confident	4 Å²	4	75.3 Å²	75.3	3%	0.026	39%	0.391	C	S	.	.			trans	-60.1	143.2	170.6	-22.8	34.3	0	0	0	112.7	W550 Y551 F552 L865 F876	P538-W550 HydrophobicContact CB-CB 4.38Å; P538-W550 HydrophobicContact CB-CE3 4.14Å; P538-Y551 CarbonylContact C-O 3.52Å; P538-Y551 WeakPolarHBondContact CA-O 3.48Å; P538-F552 HydrophobicContact CB-CB 4.09Å; P538-F552 HydrophobicContact CG-CB 4.15Å; P538-F552 HydrophobicContact CG-CG 4.28Å; P538-L865 HydrophobicContact CG-CD1 4.06Å; P538-L865 HydrophobicContact CG-CD2 3.67Å; P538-L865 HydrophobicContact CG-CG 4.31Å; P538-F876 HydrophobicContact CB-CE2 4.45Å; P538-F876 HydrophobicContact CB-CZ 4.32Å; P538-F876 HydrophobicContact CG-CD1 3.99Å; P538-F876 HydrophobicContact CG-CD2 4.43Å; P538-F876 HydrophobicContact CG-CE1 3.91Å; P538-F876 HydrophobicContact CG-CE2 4.35Å; P538-F876 HydrophobicContact CG-CG 4.24Å; P538-F876 HydrophobicContact CG-CZ 4.09Å
539	E	91.5	Very high	81.2	Confident	59 Å²	59	66.8 Å²	66.8	28%	0.276	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	140.8	172.6	-67.6	173.6	-169.3	0	0	109.6	K530 Y531 L541 W550 Y551	K530-E539 IonicContact NZ-OE2 3.17Å; Y531-E539 WeakPolarHBondContact CE2-OE1 3.41Å; E539-L541 PolarHBondContact O-N 2.98Å; E539-W550 CarbonylContact O-C 3.54Å; E539-W550 WeakPolarHBondContact O-CA 3.37Å; E539-Y551 PolarHBondContact N-O 3.45Å; E539-Y551 PolarHBondContact O-N 2.71Å
540	L	94.2	Very high	82.4	Confident	65 Å²	65	64.3 Å²	64.3	34%	0.34	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	101.4	169.9	178.6	56.8	0	0	0	108.5	E543 R548 W550	L540-E543 HydrophobicContact CD2-CB 4.08Å; L540-E543 HydrophobicContact CD2-CG 4.49Å; L540-E543 WeakPolarHBondContact CD2-OE2 3.4Å; L540-E543 HydrophobicContact CG-CB 4.37Å; L540-R548 HydrophobicContact CD1-CG 3.57Å; L540-W550 HydrophobicContact CB-CD2 4.5Å; L540-W550 HydrophobicContact CB-CE3 4.02Å; L540-W550 HydrophobicContact CB-CH2 4.12Å; L540-W550 HydrophobicContact CB-CZ3 3.83Å; L540-W550 HydrophobicContact CD1-CD2 4.23Å; L540-W550 HydrophobicContact CD1-CZ2 4.33Å
541	L	93.3	Very high	83.7	Confident	35 Å²	35	61 Å²	61	18%	0.183	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-37.5	-172.1	-175.5	57.1	0	0	0	112.5	E539 I549 Y551 E693 A696 I697	E539-L541 PolarHBondContact O-N 2.98Å; L541-I549 PolarHBondContact N-O 3.34Å; L541-Y551 HydrophobicContact CD2-CG 4.13Å; L541-E693 HydrophobicContact CD1-CG 3.55Å; L541-E693 VanDerWaalsContact CD1-OE1 3.32Å; L541-E693 WeakPolarHBondContact CD1-OE1 3.27Å; L541-E693 HydrophobicContact CD2-CG 4.15Å; L541-A696 HydrophobicContact CD2-CB 3.82Å; L541-I697 HydrophobicContact CD1-CD1 4.44Å; L541-I697 HydrophobicContact CD1-CG1 4.45Å; L541-I697 HydrophobicContact CD2-CG1 3.91Å; L541-I697 HydrophobicContact CG-CG1 4.19Å
542	I	95.2	Very high	85.3	Confident	25 Å²	25	57.8 Å²	57.8	13%	0.128	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	125.7	-178.5	-56.2	178.5	0	0	0	108.8	T544 R548 I549 I697 Y700	I542-T544 HydrophobicContact CG2-CG2 4.02Å; I542-R548 CarbonylContact O-C 3.56Å; I542-R548 VanDerWaalsContact O-CA 3.3Å; I542-R548 WeakPolarHBondContact O-CA 3.26Å; I542-I549 HydrophobicContact CB-CB 4.02Å; I542-I549 HydrophobicContact CB-CG1 4.11Å; I542-I549 HydrophobicContact CD1-CB 4.49Å; I542-I549 HydrophobicContact CD1-CG1 4.36Å; I542-I549 HydrophobicContact CG1-CB 4.4Å; I542-I549 PolarHBondContact N-O 3.46Å; I542-I549 PolarHBondContact O-N 3.3Å; I542-I697 HydrophobicContact CD1-CG1 4.5Å; I542-Y700 HydrophobicContact CD1-CD1 3.1Å; I542-Y700 HydrophobicContact CD1-CE1 3.52Å; I542-Y700 HydrophobicContact CD1-CG 3.71Å; I542-Y700 HydrophobicContact CG1-CD1 4.49Å; I542-Y700 HydrophobicContact CG2-CE1 3.98Å
543	E	95	Very high	87.1	Confident	119 Å²	119	51.9 Å²	51.9	56%	0.556	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.3	116.6	168.9	-174.2	161.9	-135.5	0	0	109.2	L540 S547 R548	L540-E543 HydrophobicContact CD2-CB 4.08Å; L540-E543 HydrophobicContact CD2-CG 4.49Å; L540-E543 WeakPolarHBondContact CD2-OE2 3.4Å; L540-E543 HydrophobicContact CG-CB 4.37Å; E543-S547 WeakPolarHBondContact CA-O 3.39Å; E543-R548 IonicContact OE1-CZ 3.81Å; E543-R548 IonicContact OE1-NE 3.89Å; E543-R548 PolarHBondContact OE1-NE 3.03Å; E543-R548 IonicContact OE1-NH2 3.94Å; E543-R548 PolarHBondContact OE1-NH2 3.44Å
544	T	93.9	Very high	88.9	Confident	66 Å²	66	47.4 Å²	47.4	41%	0.405	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	169.9	179.9	62.8	0	0	0	0	108.6	I542 M546 S547	I542-T544 HydrophobicContact CG2-CG2 4.02Å; T544-M546 PolarHBondContact O-N 2.94Å; T544-M546 VanDerWaalsContact O-N 3.07Å; T544-M546 PolarHBondContact OG1-N 3.3Å; T544-S547 PolarHBondContact N-O 3.42Å; T544-S547 PolarHBondContact O-N 3.33Å; T544-S547 VanDerWaalsContact O-O 3.12Å; T544-S547 PolarHBondContact OG1-N 2.97Å; T544-S547 VanDerWaalsContact OG1-N 3.14Å; T544-S547 PolarHBondContact OG1-O 2.74Å
545	D	91.3	Very high	90	Very high	122 Å²	122	43.5 Å²	43.5	65%	0.652	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-23.7	174.6	-63.4	-21.5	0	0	0	113.1	P715	D545-P715 HydrophobicContact CB-CB 4Å; D545-P715 HydrophobicContact CB-CG 4.43Å; D545-P715 WeakPolarHBondContact O-CB 3.46Å
546	M	91.7	Very high	90.9	Very high	18 Å²	18	45.9 Å²	45.9	9%	0.089	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-22.3	-178.6	-164.6	170.8	-165.1	0	0	113.4	T544 I681 F682 I683 R704 I708 P715	T544-M546 PolarHBondContact O-N 2.94Å; T544-M546 VanDerWaalsContact O-N 3.07Å; T544-M546 PolarHBondContact OG1-N 3.3Å; M546-I681 HydrophobicContact CE-CD1 3.79Å; M546-I681 HydrophobicContact CE-CG1 3.64Å; M546-F682 CarbonylContact O-C 3.43Å; M546-F682 VanDerWaalsContact O-CA 3.26Å; M546-F682 WeakPolarHBondContact O-CA 3.23Å; M546-F682 WeakPolarHBondContact O-CD2 3.46Å; M546-I683 PolarHBondContact O-N 3.02Å; M546-R704 HydrophobicContact SD-CG 4.36Å; M546-I708 HydrophobicContact CE-CD1 4.42Å; M546-I708 HydrophobicContact CE-CG1 4.1Å; M546-I708 HydrophobicContact SD-CD1 4.19Å; M546-P715 HydrophobicContact CB-CB 4.02Å; M546-P715 HydrophobicContact CG-CB 4.43Å
547	S	94.4	Very high	91.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	150.5	-163	-51.4	0	0	0	0	114.9	E543 T544 I683 Y700	E543-S547 WeakPolarHBondContact CA-O 3.39Å; T544-S547 PolarHBondContact N-O 3.42Å; T544-S547 PolarHBondContact O-N 3.33Å; T544-S547 VanDerWaalsContact O-O 3.12Å; T544-S547 PolarHBondContact OG1-N 2.97Å; T544-S547 VanDerWaalsContact OG1-N 3.14Å; T544-S547 PolarHBondContact OG1-O 2.74Å; S547-I683 CarbonylContact C-O 3.5Å; S547-I683 WeakPolarHBondContact CA-O 3.36Å; S547-Y700 WeakPolarHBondContact CB-OH 3.23Å; S547-Y700 VanDerWaalsContact OG-CE2 3.23Å; S547-Y700 WeakPolarHBondContact OG-CE2 3.48Å; S547-Y700 PolarHBondContact OG-OH 3.43Å
548	R	95.3	Very high	91.3	Very high	54 Å²	54	43 Å²	43	20%	0.204	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	108.1	170.1	178.9	175.7	-71.4	156.4	1.8	110.5	L540 I542 E543 F682 I683 E684 G685 Y874	L540-R548 HydrophobicContact CD1-CG 3.57Å; I542-R548 CarbonylContact O-C 3.56Å; I542-R548 VanDerWaalsContact O-CA 3.3Å; I542-R548 WeakPolarHBondContact O-CA 3.26Å; E543-R548 IonicContact OE1-CZ 3.81Å; E543-R548 IonicContact OE1-NE 3.89Å; E543-R548 PolarHBondContact OE1-NE 3.03Å; E543-R548 IonicContact OE1-NH2 3.94Å; E543-R548 PolarHBondContact OE1-NH2 3.44Å; R548-F682 HydrophobicContact CB-CE1 4.3Å; R548-F682 HydrophobicContact CB-CZ 3.69Å; R548-I683 PolarHBondContact N-O 2.85Å; R548-E684 HydrophobicContact CB-CG 4.49Å; R548-E684 CarbonylContact O-C 3.52Å; R548-E684 VanDerWaalsContact O-CA 3.3Å; R548-E684 WeakPolarHBondContact O-CA 3.18Å; R548-G685 PolarHBondContact O-N 3.22Å; R548-Y874 PolarHBondContact NH1-OH 3.32Å
549	I	96.6	Very high	91.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	121.6	-177	-50.3	-56.6	0	0	0	110.7	L541 I542 F566 I683 I687 Y700	L541-I549 PolarHBondContact N-O 3.34Å; I542-I549 HydrophobicContact CB-CB 4.02Å; I542-I549 HydrophobicContact CB-CG1 4.11Å; I542-I549 HydrophobicContact CD1-CB 4.49Å; I542-I549 HydrophobicContact CD1-CG1 4.36Å; I542-I549 HydrophobicContact CG1-CB 4.4Å; I542-I549 PolarHBondContact N-O 3.46Å; I542-I549 PolarHBondContact O-N 3.3Å; I549-F566 HydrophobicContact CD1-CD1 4.03Å; I549-F566 HydrophobicContact CD1-CE1 3.89Å; I549-I683 HydrophobicContact CD1-CG2 4.12Å; I549-I687 HydrophobicContact CG2-CD1 4.14Å; I549-I687 HydrophobicContact CG2-CG1 4.43Å; I549-Y700 HydrophobicContact CD1-CD2 3.67Å; I549-Y700 HydrophobicContact CD1-CE2 4.09Å; I549-Y700 HydrophobicContact CD1-CG 4.45Å; I549-Y700 HydrophobicContact CG1-CD2 3.53Å; I549-Y700 HydrophobicContact CG1-CE2 3.94Å; I549-Y700 HydrophobicContact CG1-CG 3.9Å
550	W	97	Very high	91	Very high	27 Å²	27	43 Å²	43	10%	0.102	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	142.3	174.2	-61.6	88.5	0	0	0	110.7	P538 E539 L540 G685 L686 I687 I869 Y874 F876	P538-W550 HydrophobicContact CB-CB 4.38Å; P538-W550 HydrophobicContact CB-CE3 4.14Å; E539-W550 CarbonylContact O-C 3.54Å; E539-W550 WeakPolarHBondContact O-CA 3.37Å; L540-W550 HydrophobicContact CB-CD2 4.5Å; L540-W550 HydrophobicContact CB-CE3 4.02Å; L540-W550 HydrophobicContact CB-CH2 4.12Å; L540-W550 HydrophobicContact CB-CZ3 3.83Å; L540-W550 HydrophobicContact CD1-CD2 4.23Å; L540-W550 HydrophobicContact CD1-CZ2 4.33Å; W550-G685 PolarHBondContact N-O 3.47Å; W550-L686 HydrophobicContact CB-CD1 3.9Å; W550-L686 WeakPolarHBondContact O-CA 2.96Å; W550-I687 PolarHBondContact O-N 3.48Å; W550-I869 HydrophobicContact CB-CD1 3.82Å; W550-I869 HydrophobicContact CD2-CD1 4.4Å; W550-I869 HydrophobicContact CG-CD1 3.68Å; W550-I869 HydrophobicContact CG-CG1 4.2Å; W550-Y874 AromaticContact CE2-CD1 3.87Å; W550-Y874 AromaticContact CE2-CE1 3.83Å; W550-Y874 HydrophobicContact CH2-CD1 4.07Å; W550-Y874 HydrophobicContact CH2-CG 4.42Å; W550-Y874 AromaticContact CZ2-CD1 3.36Å; W550-Y874 HydrophobicContact CZ2-CD1 3.36Å; W550-Y874 AromaticContact CZ2-CE1 3.56Å; W550-Y874 HydrophobicContact CZ2-CE1 3.56Å; W550-Y874 HydrophobicContact CZ2-CG 4.03Å; W550-Y874 AromaticContact NE1-CE1 3.68Å; W550-F876 HydrophobicContact CD2-CZ 4.22Å; W550-F876 AromaticContact CE3-CE2 3.98Å; W550-F876 HydrophobicContact CE3-CE2 3.98Å; W550-F876 AromaticContact CE3-CZ 3.99Å; W550-F876 HydrophobicContact CE3-CZ 3.99Å; W550-F876 HydrophobicContact CH2-CE2 4.04Å; W550-F876 HydrophobicContact CH2-CZ 4.38Å; W550-F876 AromaticContact CZ3-CE2 3.66Å; W550-F876 HydrophobicContact CZ3-CE2 3.66Å; W550-F876 HydrophobicContact CZ3-CZ 4.07Å
551	Y	95.3	Very high	91	Very high	7 Å²	7	43 Å²	43	3%	0.027	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	138	179.6	169	-103.2	0	0	0	111	P538 E539 L541 Q553 I687 I691 E693 A696	P538-Y551 CarbonylContact C-O 3.52Å; P538-Y551 WeakPolarHBondContact CA-O 3.48Å; E539-Y551 PolarHBondContact N-O 3.45Å; E539-Y551 PolarHBondContact O-N 2.71Å; L541-Y551 HydrophobicContact CD2-CG 4.13Å; Y551-Q553 HydrophobicContact CE1-CB 4.37Å; Y551-I687 CarbonylContact C-O 3.56Å; Y551-I687 WeakPolarHBondContact CA-O 3.09Å; Y551-I687 HydrophobicContact CD2-CB 4.46Å; Y551-I687 HydrophobicContact CD2-CG2 4.3Å; Y551-I691 WeakPolarHBondContact CE2-O 3.4Å; Y551-I691 PolarHBondContact OH-O 2.82Å; Y551-E693 HydrophobicContact CE1-CB 4.19Å; Y551-E693 PolarHBondContact OH-N 3.45Å; Y551-A696 HydrophobicContact CD2-CB 3.54Å; Y551-A696 HydrophobicContact CE2-CB 3.94Å; Y551-A696 HydrophobicContact CG-CB 4.36Å
552	F	93	Very high	91	Very high	23 Å²	23	41.4 Å²	41.4	10%	0.101	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	115	174.4	-166.9	-130.3	0	0	0	111.2	A535 I537 P538 I687 Y688 G689 L865	A535-F552 WeakPolarHBondContact O-CE2 3.24Å; I537-F552 WeakPolarHBondContact O-CD2 3.49Å; P538-F552 HydrophobicContact CB-CB 4.09Å; P538-F552 HydrophobicContact CG-CB 4.15Å; P538-F552 HydrophobicContact CG-CG 4.28Å; F552-I687 PolarHBondContact N-O 2.97Å; F552-Y688 HydrophobicContact CB-CD2 4.04Å; F552-Y688 AromaticContact CD1-CD2 3.55Å; F552-Y688 HydrophobicContact CD1-CD2 3.55Å; F552-Y688 AromaticContact CD1-CE2 3.66Å; F552-Y688 HydrophobicContact CD1-CE2 3.66Å; F552-Y688 HydrophobicContact CE1-CD2 4.46Å; F552-Y688 HydrophobicContact CE1-CE2 4.14Å; F552-Y688 HydrophobicContact CG-CD2 4.2Å; F552-Y688 WeakPolarHBondContact O-CA 3.09Å; F552-Y688 VanDerWaalsContact O-CD2 3.26Å; F552-Y688 WeakPolarHBondContact O-CD2 3.39Å; F552-G689 PolarHBondContact O-N 2.82Å; F552-G689 VanDerWaalsContact O-N 3.16Å; F552-L865 HydrophobicContact CD1-CD1 3.65Å; F552-L865 HydrophobicContact CE1-CD1 4.28Å; F552-L865 HydrophobicContact CG-CD1 4.42Å
553	Q	90.8	Very high	91	Very high	12 Å²	12	40.8 Å²	40.8	6%	0.056	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	132.3	176.6	-164.6	173.1	11.3	0	0	109.9	Q528 K530 Y551	Q528-Q553 PolarHBondContact O-NE2 3.44Å; K530-Q553 VanDerWaalsContact N-OE1 3.1Å; Y551-Q553 HydrophobicContact CE1-CB 4.37Å
554	D	88.4	Confident	91	Very high	9 Å²	9	35.1 Å²	35.1	5%	0.048	17%	0.17	C	C	.	.			trans	-70.1	134	173.2	177.5	48.5	0	0	0	111.1	E556 F557 N558 Y688 G689 M858	D554-E556 PolarHBondContact OD1-N 3.12Å; D554-E556 VanDerWaalsContact OD1-N 3.14Å; D554-F557 WeakPolarHBondContact OD1-CD2 3.32Å; D554-F557 PolarHBondContact OD1-N 3.3Å; D554-F557 PolarHBondContact OD2-N 3.04Å; D554-N558 PolarHBondContact OD2-N 2.79Å; D554-Y688 HydrophobicContact CB-CE2 3.91Å; D554-Y688 PolarHBondContact OD1-OH 3.22Å; D554-Y688 VanDerWaalsContact OD1-OH 3.1Å; D554-G689 PolarHBondContact N-O 3.39Å; D554-M858 HydrophobicContact CB-CE 3.78Å
555	R	80.1	Confident	91	Very high	51 Å²	51	33.6 Å²	33.6	19%	0.192	16%	0.158	C	C	.	.			trans	-134.2	-8.3	175.4	-55.7	-170.5	179.7	174.4	4.9	112.6	N529 Y531 T533 N558	N529-R555 WeakPolarHBondContact OD1-CG 3.35Å; Y531-R555 PolarHBondContact O-NH1 3.31Å; Y531-R555 PolarHBondContact O-NH2 2.83Å; T533-R555 PolarHBondContact O-NH1 2.79Å; R555-N558 PolarHBondContact O-ND2 3.25Å
556	E	80.4	Confident	91	Very high	85 Å²	85	27.8 Å²	27.8	40%	0.397	13%	0.127	S	C	.	.	S	Bend	trans	-90.6	-47.9	-172.5	-177.6	176.6	-173.7	0	0	109.6	D554	D554-E556 PolarHBondContact OD1-N 3.12Å; D554-E556 VanDerWaalsContact OD1-N 3.14Å
557	F	84.8	Confident	90.8	Very high	46 Å²	46	28 Å²	28	20%	0.202	13%	0.128	C	C	.	.	S	Bend	trans	-96.3	-26.1	-174.7	-52.9	-74.1	0	0	0	113.1	D554 L559 Y688 P855 M858 R861	D554-F557 WeakPolarHBondContact OD1-CD2 3.32Å; D554-F557 PolarHBondContact OD1-N 3.3Å; D554-F557 PolarHBondContact OD2-N 3.04Å; F557-L559 HydrophobicContact CB-CD1 4.22Å; F557-L559 HydrophobicContact CB-CG 4.08Å; F557-L559 PolarHBondContact O-N 3Å; F557-Y688 WeakPolarHBondContact CD2-OH 3.43Å; F557-Y688 WeakPolarHBondContact CE2-OH 3.21Å; F557-P855 WeakPolarHBondContact CE1-O 3.21Å; F557-P855 HydrophobicContact CZ-CB 4.29Å; F557-P855 VanDerWaalsContact CZ-O 3.3Å; F557-P855 WeakPolarHBondContact CZ-O 3.38Å; F557-M858 HydrophobicContact CB-CG 3.74Å; F557-M858 HydrophobicContact CD2-CB 4.16Å; F557-M858 HydrophobicContact CD2-CG 3.38Å; F557-M858 HydrophobicContact CE2-CG 4.22Å; F557-M858 HydrophobicContact CG-CG 3.69Å; F557-R861 HydrophobicContact CE2-CB 4.02Å; F557-R861 HydrophobicContact CE2-CG 4.5Å
558	N	82.6	Confident	90.5	Very high	75 Å²	75	28.1 Å²	28.1	40%	0.401	13%	0.128	S	C	.	.			trans	51.3	45.1	178.6	-64.3	-56.8	0	0	0	111.8	L526 D554 R555	L526-N558 HydrophobicContact CD1-CB 3.96Å; L526-N558 WeakPolarHBondContact CD1-O 3.48Å; L526-N558 WeakPolarHBondContact CD2-O 3.48Å; D554-N558 PolarHBondContact OD2-N 2.79Å; R555-N558 PolarHBondContact O-ND2 3.25Å
559	L	87.6	Confident	90	Very high	50 Å²	50	26.4 Å²	26.4	26%	0.262	12%	0.123	S	C	.	.			trans	-104	147.2	177.6	-62.8	178.3	0	0	0	110.1	F557 K561 N690 M858	F557-L559 HydrophobicContact CB-CD1 4.22Å; F557-L559 HydrophobicContact CB-CG 4.08Å; F557-L559 PolarHBondContact O-N 3Å; L559-K561 PolarHBondContact O-N 2.63Å; L559-N690 VanDerWaalsContact O-CB 3.3Å; L559-N690 WeakPolarHBondContact O-CB 3.46Å; L559-M858 HydrophobicContact CB-SD 3.89Å; L559-M858 HydrophobicContact CD1-CG 4.48Å; L559-M858 HydrophobicContact CD1-SD 4.2Å
560	P	91	Very high	89.5	Confident	14 Å²	14	26.7 Å²	26.7	9%	0.091	13%	0.126	C	C	.	.	S	Bend	trans	-76.3	45.1	179.2	33.8	-38.7	0	0	0	112.4	F524 L526 F591 T592	F524-P560 HydrophobicContact CB-CB 4.16Å; F524-P560 HydrophobicContact CB-CG 3.92Å; F524-P560 HydrophobicContact CD1-CB 4.34Å; F524-P560 HydrophobicContact CD1-CG 3.75Å; F524-P560 HydrophobicContact CG-CG 4.3Å; F524-P560 WeakPolarHBondContact O-CB 3.44Å; L526-P560 HydrophobicContact CD2-CB 4.4Å; P560-F591 HydrophobicContact CG-CD1 4.13Å; P560-F591 HydrophobicContact CG-CE1 4.3Å; P560-F591 VanDerWaalsContact O-CA 3.29Å; P560-F591 WeakPolarHBondContact O-CA 3.39Å; P560-T592 PolarHBondContact O-N 3.27Å; P560-T592 PolarHBondContact O-OG1 2.68Å
561	K	92.9	Very high	88.6	Confident	66 Å²	66	29.2 Å²	29.2	29%	0.287	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	153	-174.1	-67.7	-178.4	180	178.7	0	111.1	L559 G590 F591 N690 M858	L559-K561 PolarHBondContact O-N 2.63Å; K561-G590 CarbonylContact C-O 3.54Å; K561-G590 WeakPolarHBondContact CA-O 3.41Å; K561-F591 HydrophobicContact CD-CE1 4.48Å; K561-F591 HydrophobicContact CG-CD1 3.9Å; K561-F591 HydrophobicContact CG-CE1 4.1Å; K561-N690 WeakPolarHBondContact O-CB 3.47Å; K561-N690 PolarHBondContact O-N 3.38Å; K561-M858 HydrophobicContact CB-CE 4.47Å; K561-M858 HydrophobicContact CB-SD 3.83Å; K561-M858 WeakPolarHBondContact O-CE 3.37Å
562	G	93.8	Very high	87.3	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	151	177.7	0	0	0	0	0	111.1	H589 G590 Y688	G562-H589 WeakPolarHBondContact O-CA 3.42Å; G562-G590 PolarHBondContact N-O 3.07Å; G562-G590 PolarHBondContact O-N 3.4Å; G562-G590 VanDerWaalsContact O-N 3.12Å; G562-Y688 CarbonylContact C-O 3.11Å; G562-Y688 WeakPolarHBondContact CA-O 2.98Å
563	F	94.9	Very high	86	Confident	12 Å²	12	28.5 Å²	28.5	5%	0.053	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	125.5	174.1	-69.8	-95.6	0	0	0	108.4	H589 I687 Y688 M858 Q859 F862	F563-H589 HydrophobicContact CD1-CB 3.42Å; F563-H589 VanDerWaalsContact CD1-CB 3.42Å; F563-H589 HydrophobicContact CE1-CB 3.56Å; F563-H589 AromaticContact CE1-CG 3.96Å; F563-H589 HydrophobicContact CG-CB 4.07Å; F563-H589 HydrophobicContact CZ-CB 4.3Å; F563-I687 WeakPolarHBondContact O-CA 3.18Å; F563-Y688 HydrophobicContact CB-CD1 4.34Å; F563-Y688 HydrophobicContact CD2-CD1 4.1Å; F563-Y688 HydrophobicContact CD2-CE1 4.43Å; F563-Y688 PolarHBondContact N-O 2.87Å; F563-Y688 PolarHBondContact O-N 3.42Å; F563-M858 HydrophobicContact CD2-CB 4.18Å; F563-M858 HydrophobicContact CD2-CE 4.4Å; F563-M858 HydrophobicContact CE2-CB 3.45Å; F563-M858 VanDerWaalsContact CE2-CB 3.45Å; F563-M858 HydrophobicContact CE2-CE 4.41Å; F563-M858 HydrophobicContact CE2-CG 4.47Å; F563-M858 HydrophobicContact CE2-SD 4.22Å; F563-M858 HydrophobicContact CZ-CB 4.19Å; F563-Q859 HydrophobicContact CE1-CB 4.14Å; F563-Q859 HydrophobicContact CZ-CB 4.01Å; F563-F862 HydrophobicContact CB-CB 4.46Å; F563-F862 HydrophobicContact CB-CD1 4.46Å; F563-F862 HydrophobicContact CB-CD2 3.41Å; F563-F862 VanDerWaalsContact CB-CD2 3.41Å; F563-F862 HydrophobicContact CB-CE2 3.6Å; F563-F862 HydrophobicContact CB-CG 3.85Å; F563-F862 HydrophobicContact CB-CZ 4.23Å; F563-F862 HydrophobicContact CD1-CB 4.43Å; F563-F862 HydrophobicContact CD1-CD1 4.3Å; F563-F862 HydrophobicContact CD1-CG 4.17Å; F563-F862 HydrophobicContact CG-CB 4.3Å; F563-F862 HydrophobicContact CG-CD2 4.13Å; F563-F862 HydrophobicContact CG-CG 4.09Å
564	I	94.7	Very high	84.8	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	128.7	179.1	-60.6	165.6	0	0	0	106.7	F566 R587 Y588 L595 V599 L686 I687 I691 Y699	I564-F566 HydrophobicContact CG2-CD2 3.9Å; I564-F566 HydrophobicContact CG2-CE2 3.35Å; I564-F566 HydrophobicContact CG2-CZ 3.73Å; I564-R587 CarbonylContact O-C 3.58Å; I564-R587 WeakPolarHBondContact O-CA 3.29Å; I564-Y588 HydrophobicContact CB-CD2 4.32Å; I564-Y588 HydrophobicContact CG2-CD2 4.13Å; I564-Y588 PolarHBondContact N-O 2.95Å; I564-Y588 PolarHBondContact O-N 3.45Å; I564-L595 HydrophobicContact CD1-CD2 3.87Å; I564-L595 HydrophobicContact CD1-CG 4.26Å; I564-L595 HydrophobicContact CG1-CD2 4.47Å; I564-V599 HydrophobicContact CD1-CG2 4.35Å; I564-L686 WeakPolarHBondContact CA-O 3.37Å; I564-I687 HydrophobicContact CG1-CG1 4.36Å; I564-I687 HydrophobicContact CG1-CG2 4.21Å; I564-I687 HydrophobicContact CG2-CG1 4.18Å; I564-I691 HydrophobicContact CD1-CD1 4.14Å; I564-I691 HydrophobicContact CG1-CD1 4.03Å; I564-Y699 HydrophobicContact CD1-CD1 3.6Å; I564-Y699 HydrophobicContact CD1-CD2 3.77Å; I564-Y699 HydrophobicContact CD1-CE1 3.53Å; I564-Y699 HydrophobicContact CD1-CE2 3.79Å; I564-Y699 HydrophobicContact CD1-CG 3.72Å
565	K	94.1	Very high	84	Confident	34 Å²	34	36 Å²	36	15%	0.148	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	132.8	168.7	-175.7	167	178	-176.8	0	110.6	Y586 R587 G685 L686 F862 W866	K565-Y586 CarbonylContact C-O 3.59Å; K565-Y586 VanDerWaalsContact CA-O 3.22Å; K565-Y586 WeakPolarHBondContact CA-O 3.42Å; K565-R587 HydrophobicContact CG-CB 4.48Å; K565-G685 CarbonylContact O-C 3.57Å; K565-G685 WeakPolarHBondContact O-CA 3.43Å; K565-L686 PolarHBondContact N-O 3.43Å; K565-L686 PolarHBondContact O-N 2.89Å; K565-F862 HydrophobicContact CB-CE1 4.28Å; K565-F862 HydrophobicContact CB-CZ 3.58Å; K565-F862 HydrophobicContact CD-CE1 4.32Å; K565-F862 HydrophobicContact CD-CZ 4.37Å; K565-W866 HydrophobicContact CB-CE3 4.23Å; K565-W866 HydrophobicContact CB-CH2 4.43Å; K565-W866 HydrophobicContact CB-CZ3 4.13Å; K565-W866 HydrophobicContact CD-CD2 3.61Å; K565-W866 VanDerWaalsContact CD-CE2 3.45Å; K565-W866 HydrophobicContact CD-CE3 4.04Å; K565-W866 HydrophobicContact CD-CG 4.08Å; K565-W866 HydrophobicContact CD-CH2 4.12Å; K565-W866 HydrophobicContact CD-CZ2 3.72Å; K565-W866 HydrophobicContact CD-CZ3 4.27Å; K565-W866 VanDerWaalsContact CE-CZ2 3.44Å; K565-W866 HydrophobicContact CG-CD2 4.28Å; K565-W866 HydrophobicContact CG-CE3 4.24Å; K565-W866 HydrophobicContact CG-CH2 3.86Å; K565-W866 HydrophobicContact CG-CZ2 3.92Å; K565-W866 HydrophobicContact CG-CZ3 4.03Å; K565-W866 VanDerWaalsContact NZ-CD1 3.33Å
566	F	91.5	Very high	83.6	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	129.3	170.6	-60.7	-64.3	0	0	0	108.8	I549 I564 Y586 Y588 I683 I687 V703	I549-F566 HydrophobicContact CD1-CD1 4.03Å; I549-F566 HydrophobicContact CD1-CE1 3.89Å; I564-F566 HydrophobicContact CG2-CD2 3.9Å; I564-F566 HydrophobicContact CG2-CE2 3.35Å; I564-F566 HydrophobicContact CG2-CZ 3.73Å; F566-Y586 PolarHBondContact N-O 2.95Å; F566-Y586 PolarHBondContact O-N 2.85Å; F566-Y588 HydrophobicContact CD2-CE2 4.38Å; F566-I683 HydrophobicContact CB-CG2 4.26Å; F566-I683 HydrophobicContact CD1-CG2 4Å; F566-I683 HydrophobicContact CG-CG2 4.45Å; F566-I687 HydrophobicContact CE1-CD1 4.42Å; F566-I687 HydrophobicContact CZ-CD1 4.14Å; F566-V703 HydrophobicContact CD2-CG1 4.48Å; F566-V703 HydrophobicContact CD2-CG2 4.08Å; F566-V703 HydrophobicContact CE2-CB 4.43Å; F566-V703 HydrophobicContact CE2-CG2 3.77Å
567	H	88.3	Confident	83.3	Confident	24 Å²	24	31.6 Å²	31.6	11%	0.111	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	113.5	172	179	-155.1	0	0	0	107.8	F585 E684 W866	H567-F585 HydrophobicContact CB-CD1 4.15Å; H567-F585 HydrophobicContact CB-CE1 4.28Å; H567-F585 AromaticContact CD2-CD1 3.58Å; H567-F585 AromaticContact CD2-CE1 3.22Å; H567-F585 WeakPolarHBondContact CD2-CE1 3.45Å; H567-F585 AromaticContact CD2-CZ 3.87Å; H567-F585 AromaticContact CE1-CE1 3.81Å; H567-F585 AromaticContact CG-CD1 3.89Å; H567-F585 AromaticContact CG-CE1 3.59Å; H567-F585 AromaticContact ND1-CE1 3.93Å; H567-F585 AromaticContact NE2-CE1 3.39Å; H567-F585 WeakPolarHBondContact NE2-CE1 3.43Å; H567-F585 AromaticContact NE2-CZ 3.63Å; H567-E684 WeakPolarHBondContact CB-O 3.26Å; H567-E684 PolarHBondContact N-O 2.86Å; H567-E684 PolarHBondContact O-N 2.78Å; H567-W866 HydrophobicContact CB-CH2 3.86Å; H567-W866 HydrophobicContact CB-CZ2 3.93Å
568	I	87.8	Confident	82.6	Confident	2 Å²	2	30.5 Å²	30.5	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	112.9	178.5	-55.3	-173.1	0	0	0	107.6	Y586 F677 F678 I681 L707	I568-Y586 HydrophobicContact CD1-CD2 3.99Å; I568-Y586 HydrophobicContact CD1-CE2 3.65Å; I568-Y586 HydrophobicContact CG1-CD2 4.21Å; I568-Y586 HydrophobicContact CG1-CE2 4.13Å; I568-F677 HydrophobicContact CB-CE1 4.48Å; I568-F677 HydrophobicContact CG2-CE1 4.03Å; I568-F677 HydrophobicContact CG2-CZ 4.44Å; I568-F678 HydrophobicContact CD1-CE1 4.03Å; I568-F678 HydrophobicContact CG2-CE1 4.44Å; I568-I681 HydrophobicContact CG2-CB 3.87Å; I568-I681 HydrophobicContact CG2-CD1 4.25Å; I568-I681 HydrophobicContact CG2-CG2 3.77Å; I568-L707 HydrophobicContact CD1-CD1 3.66Å
569	V	85.3	Confident	82	Confident	17 Å²	17	28.7 Å²	28.7	10%	0.103	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	128.9	179.4	-176.2	0	0	0	0	108.7	I681 F682 L716	V569-I681 CarbonylContact O-C 3.53Å; V569-I681 VanDerWaalsContact O-CA 3.25Å; V569-I681 WeakPolarHBondContact O-CA 3.21Å; V569-F682 HydrophobicContact CB-CB 4.3Å; V569-F682 PolarHBondContact N-O 3.5Å; V569-F682 PolarHBondContact O-N 3.1Å; V569-L716 HydrophobicContact CG1-CD2 4.26Å
570	S	85.1	Confident	81.1	Confident	7 Å²	7	27.6 Å²	27.6	5%	0.049	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	155.4	174.7	-177.1	0	0	0	0	109.9	S572 T573 F677	S570-S572 PolarHBondContact O-N 2.85Å; S570-S572 PolarHBondContact OG-N 3.27Å; S570-S572 PolarHBondContact OG-OG 2.95Å; S570-T573 PolarHBondContact O-N 2.93Å; S570-T573 PolarHBondContact O-OG1 3.24Å; S570-F677 VanDerWaalsContact CB-O 3.24Å; S570-F677 WeakPolarHBondContact CB-O 3.36Å; S570-F677 PolarHBondContact OG-O 3.29Å
571	L	78.2	Confident	79.6	Confident	79 Å²	79	27.8 Å²	27.8	41%	0.414	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-58.5	-36.5	172	-88.6	157.1	0	0	0	112.3	T573 C575 L680 L716 H720	L571-T573 VanDerWaalsContact C-N 3.26Å; L571-T573 PolarHBondContact O-N 3.18Å; L571-C575 PolarHBondContact O-SG 3.35Å; L571-C575 VanDerWaalsContact O-SG 3.38Å; L571-L680 HydrophobicContact CD1-CD1 3.91Å; L571-L716 HydrophobicContact CD1-CD1 3.52Å; L571-L716 HydrophobicContact CD2-CD1 4.28Å; L571-L716 HydrophobicContact CG-CD1 3.47Å; L571-L716 VanDerWaalsContact CG-CD1 3.47Å; L571-H720 HydrophobicContact CD2-CB 3.86Å; L571-H720 HydrophobicContact CG-CB 4.47Å
572	S	68.3	Low	78.1	Confident	13 Å²	13	27.1 Å²	27.1	9%	0.091	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-65	-29.4	-172.7	58.9	0	0	0	0	112.4	S570 F574 C575 H579 F677	S570-S572 PolarHBondContact O-N 2.85Å; S570-S572 PolarHBondContact OG-N 3.27Å; S570-S572 PolarHBondContact OG-OG 2.95Å; S572-F574 PolarHBondContact O-N 2.84Å; S572-C575 PolarHBondContact O-N 2.73Å; S572-H579 WeakPolarHBondContact O-CB 3.26Å; S572-H579 PolarHBondContact O-CD2 2.96Å; S572-F677 WeakPolarHBondContact OG-CD2 3.15Å
573	T	65.3	Low	76.6	Confident	2 Å²	2	27.5 Å²	27.5	1%	0.012	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-51.2	-33.1	-167.6	-54.9	0	0	0	0	115.4	S570 L571 H579 E580 C583	S570-T573 PolarHBondContact O-N 2.93Å; S570-T573 PolarHBondContact O-OG1 3.24Å; L571-T573 VanDerWaalsContact C-N 3.26Å; L571-T573 PolarHBondContact O-N 3.18Å; T573-H579 CarbonylContact O-C 3.57Å; T573-H579 VanDerWaalsContact O-C 3.28Å; T573-E580 WeakPolarHBondContact O-CA 3.41Å; T573-E580 PolarHBondContact O-N 3.29Å; T573-C583 HydrophobicContact CG2-CB 3.6Å; T573-C583 VanDerWaalsContact CG2-SG 3.57Å
574	F	65.5	Low	75.1	Confident	92 Å²	92	27.8 Å²	27.8	40%	0.404	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-116.2	16	-175.3	-60.2	-76.2	0	0	0	113.7	S572 H651	S572-F574 PolarHBondContact O-N 2.84Å; F574-H651 PolarHBondContact O-NE2 3.45Å
575	C	71.9	Confident	73.9	Confident	86 Å²	86	30.9 Å²	30.9	58%	0.581	17%	0.167	S	C	*	.	S	Bend	trans	-78.5	-26.3	-176.6	-65.4	0	0	0	0	113.9	L571 S572	L571-C575 PolarHBondContact O-SG 3.35Å; L571-C575 VanDerWaalsContact O-SG 3.38Å; S572-C575 PolarHBondContact O-N 2.73Å
576	S	72.3	Confident	73.4	Confident	31 Å²	31	31 Å²	31	22%	0.217	17%	0.167	C	C	.	.	S	Bend	trans	-156	162.1	-179.5	65.9	0	0	0	0	110.1	L578 H579 E580	S576-L578 PolarHBondContact O-N 3.49Å; S576-L578 VanDerWaalsContact O-N 3.13Å; S576-H579 PolarHBondContact O-N 3.42Å; S576-H579 PolarHBondContact OG-N 2.86Å; S576-H579 PolarHBondContact OG-ND1 3.47Å; S576-E580 PolarHBondContact O-N 2.9Å; S576-E580 VanDerWaalsContact O-N 3.09Å
577	P	72.9	Confident	73.2	Confident	13 Å²	13	35.2 Å²	35.2	8%	0.084	18%	0.183	C	C	.	.	H	α-helix	trans	-52.9	-38.4	174.6	-17.8	23.9	0	0	0	111.4	H579 E580 T581 W653 D657 F658 A661	P577-H579 PolarHBondContact O-N 2.95Å; P577-E580 PolarHBondContact O-N 3.14Å; P577-T581 WeakPolarHBondContact O-CG2 2.89Å; P577-T581 PolarHBondContact O-N 2.89Å; P577-T581 VanDerWaalsContact O-N 3.14Å; P577-W653 HydrophobicContact CB-CB 4.14Å; P577-W653 HydrophobicContact CB-CD2 4.12Å; P577-W653 HydrophobicContact CB-CG 3.85Å; P577-W653 HydrophobicContact CG-CB 4.19Å; P577-W653 HydrophobicContact CG-CD2 3.46Å; P577-W653 VanDerWaalsContact CG-CD2 3.46Å; P577-W653 HydrophobicContact CG-CE3 3.61Å; P577-W653 HydrophobicContact CG-CG 3.71Å; P577-W653 HydrophobicContact CG-CH2 4.5Å; P577-W653 HydrophobicContact CG-CZ2 4.39Å; P577-W653 HydrophobicContact CG-CZ3 4.14Å; P577-D657 HydrophobicContact CB-CB 4.49Å; P577-D657 HydrophobicContact CG-CB 3.85Å; P577-F658 HydrophobicContact CB-CD1 3.59Å; P577-F658 HydrophobicContact CB-CE1 3.81Å; P577-F658 HydrophobicContact CB-CG 4.13Å; P577-F658 HydrophobicContact CB-CZ 4.49Å; P577-F658 VanDerWaalsContact O-CE1 3.22Å; P577-F658 WeakPolarHBondContact O-CE1 3.48Å; P577-A661 HydrophobicContact CB-CB 4.04Å; P577-A661 HydrophobicContact CG-CB 4.23Å
578	L	69.9	Low	73.3	Confident	23 Å²	23	35 Å²	35	12%	0.12	18%	0.182	C	C	.	.	H	α-helix	trans	-62.6	-45.6	-179.9	179.3	62.3	0	0	0	112.4	S576 E580 T581 L582 A661 I665	S576-L578 PolarHBondContact O-N 3.49Å; S576-L578 VanDerWaalsContact O-N 3.13Å; L578-E580 VanDerWaalsContact C-N 3.29Å; L578-E580 PolarHBondContact O-N 3.06Å; L578-T581 PolarHBondContact O-N 3.04Å; L578-T581 PolarHBondContact O-OG1 3.46Å; L578-L582 HydrophobicContact CD1-CD1 4.39Å; L578-L582 HydrophobicContact CG-CD1 4.31Å; L578-L582 WeakPolarHBondContact O-CG 3.2Å; L578-A661 HydrophobicContact CB-CB 4.35Å; L578-I665 HydrophobicContact CD1-CB 4.15Å; L578-I665 HydrophobicContact CD1-CD1 3.28Å; L578-I665 HydrophobicContact CD1-CG1 4.04Å; L578-I665 HydrophobicContact CD2-CB 4.11Å; L578-I665 HydrophobicContact CD2-CD1 3.86Å; L578-I665 HydrophobicContact CD2-CG1 3.87Å; L578-I665 HydrophobicContact CG-CD1 4.12Å
579	H	71.7	Confident	73.5	Confident	38 Å²	38	40 Å²	40	18%	0.176	21%	0.205	C	C	.	.	H	α-helix	trans	-68.3	-35.4	-178.7	-64	24.4	0	0	0	111	S572 T573 S576 P577 T581 L582 Y673	S572-H579 WeakPolarHBondContact O-CB 3.26Å; S572-H579 PolarHBondContact O-CD2 2.96Å; T573-H579 CarbonylContact O-C 3.57Å; T573-H579 VanDerWaalsContact O-C 3.28Å; S576-H579 PolarHBondContact O-N 3.42Å; S576-H579 PolarHBondContact OG-N 2.86Å; S576-H579 PolarHBondContact OG-ND1 3.47Å; P577-H579 PolarHBondContact O-N 2.95Å; H579-T581 VanDerWaalsContact C-N 3.29Å; H579-T581 PolarHBondContact O-N 3.33Å; H579-L582 PolarHBondContact O-N 2.77Å; H579-Y673 HydrophobicContact CB-CE2 3.62Å; H579-Y673 AromaticContact CD2-CD2 3.67Å; H579-Y673 AromaticContact CD2-CE2 3.28Å; H579-Y673 WeakPolarHBondContact CD2-CE2 3.46Å; H579-Y673 AromaticContact CE1-CD2 3.58Å; H579-Y673 AromaticContact CE1-CE2 3.9Å; H579-Y673 AromaticContact CG-CD2 3.77Å; H579-Y673 AromaticContact CG-CE2 3.25Å; H579-Y673 AromaticContact ND1-CD2 3.72Å; H579-Y673 AromaticContact ND1-CE2 3.66Å; H579-Y673 AromaticContact NE2-CD2 3.54Å; H579-Y673 AromaticContact NE2-CE2 3.69Å; H579-Y673 PolarHBondContact O-OH 3.02Å
580	E	67.8	Low	73.8	Confident	26 Å²	26	40.2 Å²	40.2	12%	0.121	21%	0.211	C	C	.	.	H	α-helix	trans	-60.3	-42.5	175.5	-176.8	162.1	-175.6	0	0	110.2	N176 T573 S576 P577 L578 L582 C583 W653	N176-E580 HydrophobicContact CB-CG 3.65Å; N176-E580 VanDerWaalsContact CB-O 3.29Å; N176-E580 WeakPolarHBondContact CB-O 3.02Å; N176-E580 PolarHBondContact ND2-O 2.89Å; T573-E580 WeakPolarHBondContact O-CA 3.41Å; T573-E580 PolarHBondContact O-N 3.29Å; S576-E580 PolarHBondContact O-N 2.9Å; S576-E580 VanDerWaalsContact O-N 3.09Å; P577-E580 PolarHBondContact O-N 3.14Å; L578-E580 VanDerWaalsContact C-N 3.29Å; L578-E580 PolarHBondContact O-N 3.06Å; E580-L582 PolarHBondContact O-N 3.39Å; E580-C583 PolarHBondContact O-N 2.61Å; E580-W653 PolarHBondContact OE2-NE1 2.91Å
581	T	60.6	Low	74.1	Confident	19 Å²	19	43.4 Å²	43.4	12%	0.117	22%	0.224	C	C	.	.	H	α-helix	trans	-60.7	-19.6	176.6	66.1	0	0	0	0	114.9	F175 N176 P577 L578 H579 F658	F175-T581 WeakPolarHBondContact CD1-O 3.35Å; N176-T581 PolarHBondContact ND2-O 3.3Å; P577-T581 WeakPolarHBondContact O-CG2 2.89Å; P577-T581 PolarHBondContact O-N 2.89Å; P577-T581 VanDerWaalsContact O-N 3.14Å; L578-T581 PolarHBondContact O-N 3.04Å; L578-T581 PolarHBondContact O-OG1 3.46Å; H579-T581 VanDerWaalsContact C-N 3.29Å; H579-T581 PolarHBondContact O-N 3.33Å; T581-F658 HydrophobicContact CG2-CD1 3.55Å; T581-F658 HydrophobicContact CG2-CE1 3.51Å
582	L	60.8	Low	74.7	Confident	51 Å²	51	41 Å²	41	27%	0.267	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	0.9	-172.4	-61.1	168.7	0	0	0	113.6	L578 H579 E580 A584 L670 Y673	L578-L582 HydrophobicContact CD1-CD1 4.39Å; L578-L582 HydrophobicContact CG-CD1 4.31Å; L578-L582 WeakPolarHBondContact O-CG 3.2Å; H579-L582 PolarHBondContact O-N 2.77Å; E580-L582 PolarHBondContact O-N 3.39Å; L582-A584 PolarHBondContact O-N 3.29Å; L582-L670 HydrophobicContact CD1-CD1 3.95Å; L582-L670 HydrophobicContact CD2-CD1 3.83Å; L582-Y673 HydrophobicContact CB-CD1 4.08Å; L582-Y673 HydrophobicContact CB-CE1 3.24Å; L582-Y673 HydrophobicContact CD1-CD1 3.21Å; L582-Y673 HydrophobicContact CD1-CD2 4.3Å; L582-Y673 HydrophobicContact CD1-CE1 3.27Å; L582-Y673 HydrophobicContact CD1-CE2 4.32Å; L582-Y673 HydrophobicContact CD1-CG 3.74Å; L582-Y673 HydrophobicContact CG-CD1 4.19Å; L582-Y673 HydrophobicContact CG-CE1 3.83Å
583	C	62.4	Low	75.7	Confident	9 Å²	9	44.4 Å²	44.4	6%	0.061	22%	0.224	C	C	.	.			trans	-57.6	135.6	174	-165.3	0	0	0	0	111.5	N176 T573 E580	N176-C583 WeakPolarHBondContact OD1-CB 3.5Å; T573-C583 HydrophobicContact CG2-CB 3.6Å; T573-C583 VanDerWaalsContact CG2-SG 3.57Å; E580-C583 PolarHBondContact O-N 2.61Å
584	A	62.5	Low	76.9	Confident	18 Å²	18	46.8 Å²	46.8	15%	0.149	23%	0.234	C	C	.	.			trans	-117.3	121.3	-173.5	0	0	0	0	0	112.6	L582 Y586	L582-A584 PolarHBondContact O-N 3.29Å; A584-Y586 HydrophobicContact CB-CE1 4.23Å; A584-Y586 HydrophobicContact CB-CE2 3.65Å; A584-Y586 VanDerWaalsContact CB-CZ 3.47Å; A584-Y586 WeakPolarHBondContact CB-OH 3.3Å
585	F	70.8	Confident	78.1	Confident	64 Å²	64	42.7 Å²	42.7	28%	0.281	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	124.6	166.5	-62.9	-87.7	0	0	0	109	H567	H567-F585 HydrophobicContact CB-CD1 4.15Å; H567-F585 HydrophobicContact CB-CE1 4.28Å; H567-F585 AromaticContact CD2-CD1 3.58Å; H567-F585 AromaticContact CD2-CE1 3.22Å; H567-F585 WeakPolarHBondContact CD2-CE1 3.45Å; H567-F585 AromaticContact CD2-CZ 3.87Å; H567-F585 AromaticContact CE1-CE1 3.81Å; H567-F585 AromaticContact CG-CD1 3.89Å; H567-F585 AromaticContact CG-CE1 3.59Å; H567-F585 AromaticContact ND1-CE1 3.93Å; H567-F585 AromaticContact NE2-CE1 3.39Å; H567-F585 WeakPolarHBondContact NE2-CE1 3.43Å; H567-F585 AromaticContact NE2-CZ 3.63Å
586	Y	82.5	Confident	78.9	Confident	36 Å²	36	42.9 Å²	42.9	14%	0.141	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	111.3	177.9	-59.4	-69.2	0	0	0	109.2	K565 F566 I568 A584 L606	K565-Y586 CarbonylContact C-O 3.59Å; K565-Y586 VanDerWaalsContact CA-O 3.22Å; K565-Y586 WeakPolarHBondContact CA-O 3.42Å; F566-Y586 PolarHBondContact N-O 2.95Å; F566-Y586 PolarHBondContact O-N 2.85Å; I568-Y586 HydrophobicContact CD1-CD2 3.99Å; I568-Y586 HydrophobicContact CD1-CE2 3.65Å; I568-Y586 HydrophobicContact CG1-CD2 4.21Å; I568-Y586 HydrophobicContact CG1-CE2 4.13Å; A584-Y586 HydrophobicContact CB-CE1 4.23Å; A584-Y586 HydrophobicContact CB-CE2 3.65Å; A584-Y586 VanDerWaalsContact CB-CZ 3.47Å; A584-Y586 WeakPolarHBondContact CB-OH 3.3Å; Y586-L606 HydrophobicContact CD1-CD1 4.27Å; Y586-L606 HydrophobicContact CE1-CD1 3.29Å; Y586-L606 HydrophobicContact CE1-CD2 4.01Å; Y586-L606 HydrophobicContact CE1-CG 4.28Å; Y586-L606 WeakPolarHBondContact OH-CD2 3.2Å
587	R	88.1	Confident	79.8	Confident	90 Å²	90	44.1 Å²	44.1	34%	0.34	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	126.1	176.3	-174.8	-175.1	-177.3	-168.2	-0.5	109.1	I564 K565	I564-R587 CarbonylContact O-C 3.58Å; I564-R587 WeakPolarHBondContact O-CA 3.29Å; K565-R587 HydrophobicContact CG-CB 4.48Å
588	Y	90.6	Very high	80.6	Confident	19 Å²	19	45.6 Å²	45.6	8%	0.075	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	136.4	175.8	-47	-84	0	0	0	108.6	I564 F566 V599 I602 V603	I564-Y588 HydrophobicContact CB-CD2 4.32Å; I564-Y588 HydrophobicContact CG2-CD2 4.13Å; I564-Y588 PolarHBondContact N-O 2.95Å; I564-Y588 PolarHBondContact O-N 3.45Å; F566-Y588 HydrophobicContact CD2-CE2 4.38Å; Y588-V599 HydrophobicContact CD1-CG2 3.91Å; Y588-V599 HydrophobicContact CD2-CG1 4.19Å; Y588-V599 HydrophobicContact CD2-CG2 4.12Å; Y588-V599 HydrophobicContact CE1-CG1 4.43Å; Y588-V599 HydrophobicContact CE2-CG1 4.12Å; Y588-V599 HydrophobicContact CG-CG1 4.38Å; Y588-V599 HydrophobicContact CG-CG2 3.65Å; Y588-I602 HydrophobicContact CD1-CD1 4.31Å; Y588-I602 HydrophobicContact CE1-CB 4.17Å; Y588-I602 HydrophobicContact CE1-CD1 4.24Å; Y588-I602 HydrophobicContact CE1-CG2 3.86Å; Y588-V603 VanDerWaalsContact OH-CG2 3.26Å; Y588-V603 WeakPolarHBondContact OH-CG2 3.34Å
589	H	91.1	Very high	81.5	Confident	107 Å²	107	44.5 Å²	44.5	50%	0.495	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	152.5	174.3	68.1	88.9	0	0	0	111	G562 F563	G562-H589 WeakPolarHBondContact O-CA 3.42Å; F563-H589 HydrophobicContact CD1-CB 3.42Å; F563-H589 VanDerWaalsContact CD1-CB 3.42Å; F563-H589 HydrophobicContact CE1-CB 3.56Å; F563-H589 AromaticContact CE1-CG 3.96Å; F563-H589 HydrophobicContact CG-CB 4.07Å; F563-H589 HydrophobicContact CZ-CB 4.3Å
590	G	90.8	Very high	82.4	Confident	22 Å²	22	47.5 Å²	47.5	23%	0.227	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.3	-165.1	178.9	0	0	0	0	0	112.7	K561 G562	K561-G590 CarbonylContact C-O 3.54Å; K561-G590 WeakPolarHBondContact CA-O 3.41Å; G562-G590 PolarHBondContact N-O 3.07Å; G562-G590 PolarHBondContact O-N 3.4Å; G562-G590 VanDerWaalsContact O-N 3.12Å
591	F	91.7	Very high	83.4	Confident	74 Å²	74	50.8 Å²	50.8	33%	0.325	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	129.4	177.5	-65.8	-66.8	0	0	0	111.4	A521 F524 P560 K561 Y593 K594 L595	A521-F591 HydrophobicContact CB-CB 3.62Å; A521-F591 HydrophobicContact CB-CD2 4Å; A521-F591 HydrophobicContact CB-CG 3.94Å; F524-F591 AromaticContact CD1-CD1 3.98Å; F524-F591 HydrophobicContact CD1-CD1 3.98Å; F524-F591 HydrophobicContact CD1-CE1 4.09Å; F524-F591 AromaticContact CE1-CD1 3.78Å; F524-F591 HydrophobicContact CE1-CD1 3.78Å; F524-F591 HydrophobicContact CE1-CD2 4.46Å; F524-F591 AromaticContact CE1-CE1 3.77Å; F524-F591 HydrophobicContact CE1-CE1 3.77Å; F524-F591 HydrophobicContact CE1-CE2 4.45Å; F524-F591 HydrophobicContact CE1-CG 4.13Å; F524-F591 HydrophobicContact CE1-CZ 4.11Å; P560-F591 HydrophobicContact CG-CD1 4.13Å; P560-F591 HydrophobicContact CG-CE1 4.3Å; P560-F591 VanDerWaalsContact O-CA 3.29Å; P560-F591 WeakPolarHBondContact O-CA 3.39Å; K561-F591 HydrophobicContact CD-CE1 4.48Å; K561-F591 HydrophobicContact CG-CD1 3.9Å; K561-F591 HydrophobicContact CG-CE1 4.1Å; F591-Y593 VanDerWaalsContact C-N 3.29Å; F591-Y593 PolarHBondContact O-N 3.01Å; F591-K594 PolarHBondContact O-N 2.95Å; F591-L595 WeakPolarHBondContact O-CB 3.39Å; F591-L595 PolarHBondContact O-N 3.16Å; F591-L595 VanDerWaalsContact O-N 3.14Å
592	T	90.5	Very high	84.7	Confident	27 Å²	27	53.4 Å²	53.4	17%	0.166	26%	0.26	C	S	.	.	H	α-helix	trans	-65.6	-31.6	-168.2	50.9	0	0	0	0	113.1	P560 K594 L595 N690 I691	P560-T592 PolarHBondContact O-N 3.27Å; P560-T592 PolarHBondContact O-OG1 2.68Å; T592-K594 VanDerWaalsContact C-N 3.31Å; T592-K594 PolarHBondContact O-N 2.83Å; T592-L595 PolarHBondContact O-N 2.93Å; T592-N690 HydrophobicContact CG2-CB 4.03Å; T592-N690 VanDerWaalsContact CG2-O 3.3Å; T592-N690 WeakPolarHBondContact CG2-O 2.95Å; T592-N690 PolarHBondContact OG1-ND2 3.43Å; T592-I691 HydrophobicContact CG2-CG1 3.94Å
593	Y	89.8	Confident	85.9	Confident	86 Å²	86	51.2 Å²	51.2	34%	0.337	25%	0.249	S	C	.	.	H	α-helix	trans	-51.7	-43.6	177.7	179.9	-121.4	0	0	0	114.1	A521 T522 E523 F591	A521-Y593 HydrophobicContact CB-CD1 4.37Å; T522-Y593 WeakPolarHBondContact OG1-CE1 3.45Å; E523-Y593 HydrophobicContact CB-CD1 4.27Å; E523-Y593 HydrophobicContact CB-CD2 3.68Å; E523-Y593 HydrophobicContact CB-CE1 4.47Å; E523-Y593 HydrophobicContact CB-CE2 3.9Å; E523-Y593 HydrophobicContact CB-CG 3.87Å; E523-Y593 HydrophobicContact CG-CD2 4.13Å; E523-Y593 HydrophobicContact CG-CE1 4.44Å; E523-Y593 HydrophobicContact CG-CE2 3.8Å; E523-Y593 WeakPolarHBondContact O-CB 3.21Å; E523-Y593 WeakPolarHBondContact OE1-CE2 3.33Å; E523-Y593 VanDerWaalsContact OE1-CZ 3.22Å; E523-Y593 PolarHBondContact OE1-OH 2.82Å; E523-Y593 WeakPolarHBondContact OE2-CE2 3.37Å; F591-Y593 VanDerWaalsContact C-N 3.29Å; F591-Y593 PolarHBondContact O-N 3.01Å
594	K	91.2	Very high	87.1	Confident	52 Å²	52	52.1 Å²	52.1	23%	0.226	26%	0.257	C	S	.	.	H	α-helix	trans	-104.1	-9.4	-179.8	-66.5	-70.9	-179.2	165.9	0	113.6	P518 F591 T592 K596 S597 V598	P518-K594 VanDerWaalsContact O-CE 3.29Å; P518-K594 WeakPolarHBondContact O-CE 3.32Å; P518-K594 PolarHBondContact O-NZ 3.23Å; F591-K594 PolarHBondContact O-N 2.95Å; T592-K594 VanDerWaalsContact C-N 3.31Å; T592-K594 PolarHBondContact O-N 2.83Å; K594-K596 VanDerWaalsContact C-N 3.28Å; K594-K596 PolarHBondContact O-N 3.06Å; K594-S597 PolarHBondContact O-N 2.8Å; K594-V598 WeakPolarHBondContact O-CG2 3.49Å; K594-V598 PolarHBondContact O-N 3.25Å
595	L	91.2	Very high	88.2	Confident	6 Å²	6	56.9 Å²	56.9	3%	0.031	28%	0.276	C	S	.	.	H	α-helix	trans	-57.7	-40.5	-174.9	-172.3	60.3	0	0	0	111.8	I564 F591 T592 S597 V598 V599 I691	I564-L595 HydrophobicContact CD1-CD2 3.87Å; I564-L595 HydrophobicContact CD1-CG 4.26Å; I564-L595 HydrophobicContact CG1-CD2 4.47Å; F591-L595 WeakPolarHBondContact O-CB 3.39Å; F591-L595 PolarHBondContact O-N 3.16Å; F591-L595 VanDerWaalsContact O-N 3.14Å; T592-L595 PolarHBondContact O-N 2.93Å; L595-S597 PolarHBondContact O-N 2.85Å; L595-V598 PolarHBondContact O-N 2.78Å; L595-V599 HydrophobicContact CD1-CG2 4.05Å; L595-V599 HydrophobicContact CG-CG2 4.18Å; L595-V599 WeakPolarHBondContact O-CG2 3.44Å; L595-V599 PolarHBondContact O-N 2.74Å; L595-I691 HydrophobicContact CD2-CD1 4.26Å
596	K	88.8	Confident	88.7	Confident	89 Å²	89	56.7 Å²	56.7	39%	0.387	28%	0.278	S	S	.	.	H	α-helix	trans	-58.5	-50.9	178.3	-170.6	173.4	-178.2	173.3	0	112.5	K594 V598 V599 Q600 Y699	K594-K596 VanDerWaalsContact C-N 3.28Å; K594-K596 PolarHBondContact O-N 3.06Å; K596-V598 VanDerWaalsContact C-N 3.33Å; K596-V598 PolarHBondContact O-N 2.82Å; K596-V599 PolarHBondContact O-N 3.04Å; K596-Q600 WeakPolarHBondContact O-CB 3.48Å; K596-Q600 PolarHBondContact O-N 2.78Å; K596-Y699 WeakPolarHBondContact CA-OH 3.47Å; K596-Y699 HydrophobicContact CB-CE1 4.13Å; K596-Y699 HydrophobicContact CG-CE1 4.33Å; K596-Y699 PolarHBondContact N-OH 2.88Å
597	S	90.1	Very high	88.7	Confident	58 Å²	58	55.1 Å²	55.1	41%	0.406	27%	0.273	S	S	.	.	H	α-helix	trans	-63	-39.7	178.7	-53.5	0	0	0	0	112.1	K594 L595 E601	K594-S597 PolarHBondContact O-N 2.8Å; L595-S597 PolarHBondContact O-N 2.85Å; S597-E601 WeakPolarHBondContact O-CB 3.42Å; S597-E601 PolarHBondContact O-N 2.77Å
598	V	89.8	Confident	88.5	Confident	44 Å²	44	55.8 Å²	55.8	27%	0.267	28%	0.283	S	S	.	.	H	α-helix	trans	-65	-48.5	177.4	172.9	0	0	0	0	111.2	F519 K594 L595 K596 Q600 E601 I602	F519-V598 HydrophobicContact CB-CG2 4.38Å; F519-V598 HydrophobicContact CD1-CG2 3.37Å; F519-V598 HydrophobicContact CE1-CG2 3.79Å; F519-V598 HydrophobicContact CG-CG2 4.04Å; K594-V598 WeakPolarHBondContact O-CG2 3.49Å; K594-V598 PolarHBondContact O-N 3.25Å; L595-V598 PolarHBondContact O-N 2.78Å; K596-V598 VanDerWaalsContact C-N 3.33Å; K596-V598 PolarHBondContact O-N 2.82Å; V598-Q600 PolarHBondContact O-N 3.05Å; V598-E601 PolarHBondContact O-N 3.35Å; V598-I602 HydrophobicContact CG1-CD1 3.62Å; V598-I602 HydrophobicContact CG1-CG1 4.41Å; V598-I602 VanDerWaalsContact O-CG1 3.28Å; V598-I602 WeakPolarHBondContact O-CG1 3.35Å; V598-I602 PolarHBondContact O-N 3.44Å
599	V	89.9	Confident	87.9	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62.3	-46	179.4	178	0	0	0	0	110	I564 Y588 L595 K596 E601 I602 V603 Y699 M702	I564-V599 HydrophobicContact CD1-CG2 4.35Å; Y588-V599 HydrophobicContact CD1-CG2 3.91Å; Y588-V599 HydrophobicContact CD2-CG1 4.19Å; Y588-V599 HydrophobicContact CD2-CG2 4.12Å; Y588-V599 HydrophobicContact CE1-CG1 4.43Å; Y588-V599 HydrophobicContact CE2-CG1 4.12Å; Y588-V599 HydrophobicContact CG-CG1 4.38Å; Y588-V599 HydrophobicContact CG-CG2 3.65Å; L595-V599 HydrophobicContact CD1-CG2 4.05Å; L595-V599 HydrophobicContact CG-CG2 4.18Å; L595-V599 WeakPolarHBondContact O-CG2 3.44Å; L595-V599 PolarHBondContact O-N 2.74Å; K596-V599 PolarHBondContact O-N 3.04Å; V599-E601 PolarHBondContact O-N 3.19Å; V599-I602 PolarHBondContact O-N 3.35Å; V599-V603 HydrophobicContact CG1-CG2 3.99Å; V599-V603 WeakPolarHBondContact O-CB 3.23Å; V599-V603 WeakPolarHBondContact O-CG2 3.04Å; V599-V603 PolarHBondContact O-N 2.85Å; V599-Y699 HydrophobicContact CB-CD1 4.37Å; V599-Y699 HydrophobicContact CB-CE1 4.15Å; V599-Y699 HydrophobicContact CG1-CD1 4.27Å; V599-Y699 HydrophobicContact CG2-CD1 4.46Å; V599-Y699 HydrophobicContact CG2-CE1 4.04Å; V599-M702 HydrophobicContact CB-CE 4.1Å; V599-M702 HydrophobicContact CG1-CE 3.51Å
600	Q	89.7	Confident	87.1	Confident	101 Å²	101	55.9 Å²	55.9	47%	0.472	28%	0.281	S	S	.	.	H	α-helix	trans	-57.5	-48.6	178.4	-173.3	175	-1.4	0	0	111.8	K596 V598 A604 M702	K596-Q600 WeakPolarHBondContact O-CB 3.48Å; K596-Q600 PolarHBondContact O-N 2.78Å; V598-Q600 PolarHBondContact O-N 3.05Å; Q600-A604 WeakPolarHBondContact O-CB 3.5Å; Q600-A604 PolarHBondContact O-N 3.13Å; Q600-M702 HydrophobicContact CB-CE 4.32Å; Q600-M702 HydrophobicContact CB-SD 3.51Å; Q600-M702 VanDerWaalsContact CB-SD 3.51Å; Q600-M702 HydrophobicContact CG-SD 3.7Å
601	E	89	Confident	86.6	Confident	94 Å²	94	61 Å²	61	44%	0.439	30%	0.299	S	S	.	.	H	α-helix	trans	-63.7	-46	-179.7	-174.2	60.6	-151.1	0	0	111.6	S597 V598 V599 A604 Q605	S597-E601 WeakPolarHBondContact O-CB 3.42Å; S597-E601 PolarHBondContact O-N 2.77Å; V598-E601 PolarHBondContact O-N 3.35Å; V599-E601 PolarHBondContact O-N 3.19Å; E601-A604 PolarHBondContact O-N 3.13Å; E601-Q605 WeakPolarHBondContact O-CB 3.39Å; E601-Q605 WeakPolarHBondContact O-CG 3.39Å; E601-Q605 PolarHBondContact O-N 3.31Å; E601-Q605 PolarHBondContact OE1-NE2 2.78Å
602	I	87.5	Confident	86.1	Confident	74 Å²	74	58.1 Å²	58.1	38%	0.379	29%	0.288	S	S	.	.	H	α-helix	trans	-64	-46.2	179.8	-67.2	169.7	0	0	0	111	Y588 V598 V599 Q605 L606	Y588-I602 HydrophobicContact CD1-CD1 4.31Å; Y588-I602 HydrophobicContact CE1-CB 4.17Å; Y588-I602 HydrophobicContact CE1-CD1 4.24Å; Y588-I602 HydrophobicContact CE1-CG2 3.86Å; V598-I602 HydrophobicContact CG1-CD1 3.62Å; V598-I602 HydrophobicContact CG1-CG1 4.41Å; V598-I602 VanDerWaalsContact O-CG1 3.28Å; V598-I602 WeakPolarHBondContact O-CG1 3.35Å; V598-I602 PolarHBondContact O-N 3.44Å; V599-I602 PolarHBondContact O-N 3.35Å; I602-Q605 PolarHBondContact O-N 3Å; I602-L606 VanDerWaalsContact O-CB 3.31Å; I602-L606 WeakPolarHBondContact O-CB 3.32Å; I602-L606 PolarHBondContact O-N 3.03Å
603	V	85.6	Confident	85.8	Confident	5 Å²	5	62.7 Å²	62.7	3%	0.03	31%	0.305	C	S	.	.	H	α-helix	trans	-66.1	-43.1	-179.5	178	0	0	0	0	110.1	Y588 V599 Q605 L606 V607 V703 L706	Y588-V603 VanDerWaalsContact OH-CG2 3.26Å; Y588-V603 WeakPolarHBondContact OH-CG2 3.34Å; V599-V603 HydrophobicContact CG1-CG2 3.99Å; V599-V603 WeakPolarHBondContact O-CB 3.23Å; V599-V603 WeakPolarHBondContact O-CG2 3.04Å; V599-V603 PolarHBondContact O-N 2.85Å; V603-Q605 VanDerWaalsContact C-N 3.34Å; V603-Q605 PolarHBondContact O-N 3.33Å; V603-L606 PolarHBondContact O-N 2.79Å; V603-V607 HydrophobicContact CG1-CG2 4.07Å; V603-V607 WeakPolarHBondContact O-CB 3.42Å; V603-V607 VanDerWaalsContact O-CG2 3.25Å; V603-V607 WeakPolarHBondContact O-CG2 3.35Å; V603-V607 PolarHBondContact O-N 2.75Å; V603-V703 HydrophobicContact CG1-CG2 4.36Å; V603-V703 HydrophobicContact CG2-CG2 4.01Å; V603-L706 HydrophobicContact CB-CD1 4.2Å; V603-L706 HydrophobicContact CG1-CB 4.35Å; V603-L706 HydrophobicContact CG1-CD1 3.61Å
604	A	87.5	Confident	85.5	Confident	28 Å²	28	62.5 Å²	62.5	23%	0.231	31%	0.313	C	S	.	.	H	α-helix	trans	-60.4	-42.9	176.2	0	0	0	0	0	111.9	Q600 E601 N608	Q600-A604 WeakPolarHBondContact O-CB 3.5Å; Q600-A604 PolarHBondContact O-N 3.13Å; E601-A604 PolarHBondContact O-N 3.13Å; A604-N608 VanDerWaalsContact O-CB 3.31Å; A604-N608 WeakPolarHBondContact O-CB 3.23Å; A604-N608 PolarHBondContact O-N 3.27Å; A604-N608 VanDerWaalsContact O-N 3.09Å; A604-N608 PolarHBondContact O-ND2 2.59Å
605	Q	86.1	Confident	84.9	Confident	118 Å²	118	63.1 Å²	63.1	55%	0.551	32%	0.319	S	S	*	.	H	α-helix	trans	-64.6	-45.4	175.3	-73.6	-176.4	19.1	0	0	111.7	E601 I602 V603 N608 Y609	E601-Q605 WeakPolarHBondContact O-CB 3.39Å; E601-Q605 WeakPolarHBondContact O-CG 3.39Å; E601-Q605 PolarHBondContact O-N 3.31Å; E601-Q605 PolarHBondContact OE1-NE2 2.78Å; I602-Q605 PolarHBondContact O-N 3Å; V603-Q605 VanDerWaalsContact C-N 3.34Å; V603-Q605 PolarHBondContact O-N 3.33Å; Q605-N608 CarbonylContact O-C 3.5Å; Q605-N608 PolarHBondContact O-N 3.46Å; Q605-Y609 VanDerWaalsContact O-CB 3.28Å; Q605-Y609 WeakPolarHBondContact O-CB 3.46Å; Q605-Y609 PolarHBondContact O-N 3.27Å
606	L	81	Confident	84.4	Confident	60 Å²	60	66.2 Å²	66.2	31%	0.314	33%	0.33	S	S	.	.	H	α-helix	trans	-61.4	-49.3	-179.5	-178.2	125.6	0	0	0	112.3	Y586 I602 V603 N608 Y609 F678	Y586-L606 HydrophobicContact CD1-CD1 4.27Å; Y586-L606 HydrophobicContact CE1-CD1 3.29Å; Y586-L606 HydrophobicContact CE1-CD2 4.01Å; Y586-L606 HydrophobicContact CE1-CG 4.28Å; Y586-L606 WeakPolarHBondContact OH-CD2 3.2Å; I602-L606 VanDerWaalsContact O-CB 3.31Å; I602-L606 WeakPolarHBondContact O-CB 3.32Å; I602-L606 PolarHBondContact O-N 3.03Å; V603-L606 PolarHBondContact O-N 2.79Å; L606-N608 PolarHBondContact O-N 3.3Å; L606-Y609 PolarHBondContact O-N 3.11Å; L606-Y609 VanDerWaalsContact O-N 3.08Å; L606-F678 HydrophobicContact CD2-CZ 4.48Å
607	V	82.2	Confident	84.3	Confident	4 Å²	4	62.4 Å²	62.4	2%	0.024	31%	0.314	C	S	.	.	H	α-helix	trans	-63.8	-31.9	179	172.7	0	0	0	0	110.7	V603 C610 L706 L707 K710 F711	V603-V607 HydrophobicContact CG1-CG2 4.07Å; V603-V607 WeakPolarHBondContact O-CB 3.42Å; V603-V607 VanDerWaalsContact O-CG2 3.25Å; V603-V607 WeakPolarHBondContact O-CG2 3.35Å; V603-V607 PolarHBondContact O-N 2.75Å; V607-C610 PolarHBondContact O-SG 3.47Å; V607-L706 HydrophobicContact CG2-CB 4.34Å; V607-L707 HydrophobicContact CG2-CD2 3.99Å; V607-K710 HydrophobicContact CG1-CB 3.2Å; V607-K710 HydrophobicContact CG1-CD 4.13Å; V607-K710 HydrophobicContact CG1-CG 3.44Å; V607-K710 VanDerWaalsContact CG1-CG 3.44Å; V607-K710 VanDerWaalsContact O-CE 3.29Å; V607-K710 WeakPolarHBondContact O-CE 3.31Å; V607-K710 WeakPolarHBondContact O-CG 3.32Å; V607-F711 HydrophobicContact CG1-CE2 4.08Å
608	N	83.4	Confident	83.9	Confident	104 Å²	104	63.4 Å²	63.4	56%	0.556	31%	0.312	S	S	*	.	H	α-helix	trans	-81.6	-18.4	174.9	-73.6	-49.1	0	0	0	114.2	A604 Q605 L606 C610 K710	A604-N608 VanDerWaalsContact O-CB 3.31Å; A604-N608 WeakPolarHBondContact O-CB 3.23Å; A604-N608 PolarHBondContact O-N 3.27Å; A604-N608 VanDerWaalsContact O-N 3.09Å; A604-N608 PolarHBondContact O-ND2 2.59Å; Q605-N608 CarbonylContact O-C 3.5Å; Q605-N608 PolarHBondContact O-N 3.46Å; L606-N608 PolarHBondContact O-N 3.3Å; N608-C610 PolarHBondContact O-N 3.18Å; N608-K710 PolarHBondContact OD1-NZ 3.11Å
609	Y	78.3	Confident	83.3	Confident	115 Å²	115	62.5 Å²	62.5	45%	0.451	31%	0.305	S	S	.	.			trans	-83.2	48.3	179.4	-160.1	-107.5	0	0	0	112.5	Q605 L606 E611 P612 K613	Q605-Y609 VanDerWaalsContact O-CB 3.28Å; Q605-Y609 WeakPolarHBondContact O-CB 3.46Å; Q605-Y609 PolarHBondContact O-N 3.27Å; L606-Y609 PolarHBondContact O-N 3.11Å; L606-Y609 VanDerWaalsContact O-N 3.08Å; Y609-E611 VanDerWaalsContact C-N 3.32Å; Y609-P612 HydrophobicContact CE1-CB 3.82Å; Y609-P612 HydrophobicContact CE1-CG 4.06Å; Y609-K613 PolarHBondContact OH-N 3.42Å
610	C	75	Confident	82.9	Confident	13 Å²	13	66.1 Å²	66.1	9%	0.088	32%	0.323	C	S	.	.	S	Bend	trans	-75.8	-20.9	177.5	-62.2	0	0	0	0	113.4	V607 N608 K710 F711	V607-C610 PolarHBondContact O-SG 3.47Å; N608-C610 PolarHBondContact O-N 3.18Å; C610-K710 WeakPolarHBondContact SG-CE 3.25Å; C610-F711 WeakPolarHBondContact SG-CE1 3.4Å; C610-F711 WeakPolarHBondContact SG-CZ 3.25Å
611	E	81.2	Confident	82.6	Confident	130 Å²	130	64.9 Å²	64.9	61%	0.607	31%	0.314	S	S	*	.	S	Bend	trans	-122.8	87.9	-178.9	-69	179.2	-174.7	0	0	107.7	Y609 V671	Y609-E611 VanDerWaalsContact C-N 3.32Å; E611-V671 HydrophobicContact CG-CG1 4.24Å
612	P	81	Confident	82.1	Confident	13 Å²	13	63.5 Å²	63.5	8%	0.084	31%	0.308	C	S	.	.			trans	-57.1	155.6	177.3	-23.5	34	0	0	0	110.7	Y609 Y667 L670 I674	Y609-P612 HydrophobicContact CE1-CB 3.82Å; Y609-P612 HydrophobicContact CE1-CG 4.06Å; P612-Y667 HydrophobicContact CB-CE2 4.43Å; P612-Y667 WeakPolarHBondContact O-CE2 3.34Å; P612-Y667 VanDerWaalsContact O-CZ 3.24Å; P612-Y667 PolarHBondContact O-OH 3.1Å; P612-L670 HydrophobicContact CG-CD2 4.27Å; P612-I674 HydrophobicContact CG-CD1 4.21Å
613	K	83.5	Confident	81.7	Confident	122 Å²	122	64 Å²	64	53%	0.53	31%	0.307	S	S	.	.			trans	-68.5	138.6	169.4	-56.5	-176.5	176.8	-179.2	0	109.8	Y609 D615 R616 F617	Y609-K613 PolarHBondContact OH-N 3.42Å; K613-D615 VanDerWaalsContact C-N 3.31Å; K613-D615 WeakPolarHBondContact CB-OD1 3.38Å; K613-D615 PolarHBondContact O-N 3.28Å; K613-R616 HydrophobicContact CB-CB 4.31Å; K613-R616 HydrophobicContact CB-CG 4.08Å; K613-R616 WeakPolarHBondContact O-CB 3.14Å; K613-R616 PolarHBondContact O-N 3.27Å; K613-F617 PolarHBondContact O-N 2.96Å
614	T	84.2	Confident	81.5	Confident	82 Å²	82	66.2 Å²	66.2	50%	0.503	32%	0.318	S	S	.	.	H	α-helix	trans	-60.1	-39.1	-175.5	-47.5	0	0	0	0	112.6	R616 F617 E618	T614-R616 VanDerWaalsContact C-N 3.32Å; T614-R616 PolarHBondContact O-N 2.93Å; T614-F617 WeakPolarHBondContact O-CB 3.12Å; T614-F617 PolarHBondContact O-N 3.13Å; T614-E618 PolarHBondContact O-N 3.21Å; T614-E618 VanDerWaalsContact O-N 3.09Å
615	D	78.4	Confident	81.1	Confident	65 Å²	65	67 Å²	67	35%	0.348	32%	0.322	S	S	.	.	H	α-helix	trans	-62.1	-38.4	174.7	64.8	-35.7	0	0	0	112.3	K613 F619	K613-D615 VanDerWaalsContact C-N 3.31Å; K613-D615 WeakPolarHBondContact CB-OD1 3.38Å; K613-D615 PolarHBondContact O-N 3.28Å; D615-F619 VanDerWaalsContact O-CB 3.28Å; D615-F619 WeakPolarHBondContact O-CB 3.34Å; D615-F619 PolarHBondContact O-N 2.53Å; D615-F619 VanDerWaalsContact O-N 3.16Å
616	R	81.1	Confident	80.7	Confident	71 Å²	71	63.2 Å²	63.2	27%	0.268	30%	0.304	S	S	.	.	H	α-helix	trans	-69.9	-37	175.3	-66.6	-63.9	-60.9	162.1	1.8	112.3	K613 T614 I620	K613-R616 HydrophobicContact CB-CB 4.31Å; K613-R616 HydrophobicContact CB-CG 4.08Å; K613-R616 WeakPolarHBondContact O-CB 3.14Å; K613-R616 PolarHBondContact O-N 3.27Å; T614-R616 VanDerWaalsContact C-N 3.32Å; T614-R616 PolarHBondContact O-N 2.93Å; R616-I620 WeakPolarHBondContact O-CB 3.15Å; R616-I620 VanDerWaalsContact O-CG1 3.26Å; R616-I620 WeakPolarHBondContact O-CG1 3.43Å; R616-I620 PolarHBondContact O-N 2.89Å
617	F	85.7	Confident	80.5	Confident	10 Å²	10	64 Å²	64	4%	0.044	31%	0.309	C	S	.	.	H	α-helix	trans	-60	-55.3	175.2	163.7	-103.2	0	0	0	111.2	K613 T614 F619 I620 R621 I665 Y667 L670	K613-F617 PolarHBondContact O-N 2.96Å; T614-F617 WeakPolarHBondContact O-CB 3.12Å; T614-F617 PolarHBondContact O-N 3.13Å; F617-F619 VanDerWaalsContact C-N 3.27Å; F617-F619 PolarHBondContact O-N 3.36Å; F617-I620 PolarHBondContact O-N 3.15Å; F617-R621 WeakPolarHBondContact O-CB 3.38Å; F617-R621 PolarHBondContact O-N 2.84Å; F617-I665 HydrophobicContact CE2-CD1 4.08Å; F617-I665 HydrophobicContact CE2-CG1 4.14Å; F617-I665 HydrophobicContact CE2-CG2 4.49Å; F617-I665 HydrophobicContact CZ-CG1 4.24Å; F617-I665 HydrophobicContact CZ-CG2 4.22Å; F617-Y667 HydrophobicContact CB-CD2 3.88Å; F617-Y667 HydrophobicContact CB-CE2 4.46Å; F617-Y667 HydrophobicContact CD1-CD2 4.17Å; F617-Y667 AromaticContact CG-CD2 3.96Å; F617-Y667 HydrophobicContact CG-CD2 3.96Å; F617-L670 HydrophobicContact CD2-CB 4.44Å; F617-L670 HydrophobicContact CD2-CD2 3.51Å; F617-L670 HydrophobicContact CE2-CB 4.18Å; F617-L670 HydrophobicContact CE2-CD2 3.95Å
618	E	82.4	Confident	80.4	Confident	78 Å²	78	64.9 Å²	64.9	36%	0.364	31%	0.313	S	S	.	.	H	α-helix	trans	-56.8	-44.6	-179.7	-72.1	-59.5	153.1	0	0	111.6	T614 R621 E622	T614-E618 PolarHBondContact O-N 3.21Å; T614-E618 VanDerWaalsContact O-N 3.09Å; E618-R621 WeakPolarHBondContact O-CB 3.13Å; E618-R621 PolarHBondContact O-N 2.86Å; E618-R621 IonicContact OE1-CZ 3.24Å; E618-R621 IonicContact OE1-NH2 2.65Å; E618-R621 IonicContact OE2-CZ 2.83Å; E618-R621 IonicContact OE2-NE 3.9Å; E618-R621 PolarHBondContact OE2-NE 3.38Å; E618-R621 IonicContact OE2-NH2 3.4Å; E618-R621 PolarHBondContact OE2-NH2 3.27Å; E618-E622 PolarHBondContact O-N 3.44Å
619	F	76.9	Confident	80.2	Confident	26 Å²	26	63.4 Å²	63.4	11%	0.114	31%	0.308	C	S	.	.	H	α-helix	trans	-61.8	-49	177.5	167.3	-104.1	0	0	0	113.3	N373 T396 D615 F617 R621 E622 K623	N373-F619 HydrophobicContact CB-CE1 4.4Å; N373-F619 HydrophobicContact CB-CE2 4.32Å; N373-F619 HydrophobicContact CB-CZ 3.73Å; N373-F619 WeakPolarHBondContact ND2-CE2 3.3Å; N373-F619 VanDerWaalsContact ND2-CZ 3.3Å; N373-F619 WeakPolarHBondContact ND2-CZ 3.37Å; N373-F619 WeakPolarHBondContact OD1-CE1 2.86Å; N373-F619 WeakPolarHBondContact OD1-CE2 2.92Å; N373-F619 WeakPolarHBondContact OD1-CZ 3.27Å; T396-F619 HydrophobicContact CG2-CD2 3.88Å; T396-F619 HydrophobicContact CG2-CE2 4.02Å; D615-F619 VanDerWaalsContact O-CB 3.28Å; D615-F619 WeakPolarHBondContact O-CB 3.34Å; D615-F619 PolarHBondContact O-N 2.53Å; D615-F619 VanDerWaalsContact O-N 3.16Å; F617-F619 VanDerWaalsContact C-N 3.27Å; F617-F619 PolarHBondContact O-N 3.36Å; F619-R621 VanDerWaalsContact C-N 3.29Å; F619-R621 PolarHBondContact O-N 2.87Å; F619-E622 PolarHBondContact O-N 3.1Å; F619-K623 HydrophobicContact CE1-CD 4.45Å; F619-K623 HydrophobicContact CE2-CB 4.43Å; F619-K623 HydrophobicContact CZ-CB 4.21Å; F619-K623 HydrophobicContact CZ-CD 4.01Å; F619-K623 PolarHBondContact O-N 3.29Å
620	I	81	Confident	80.3	Confident	75 Å²	75	58.7 Å²	58.7	39%	0.385	29%	0.291	S	S	.	.	H	α-helix	trans	-65	-38.7	-179.2	-69.6	169	0	0	0	110	R616 F617 K623 I624	R616-I620 WeakPolarHBondContact O-CB 3.15Å; R616-I620 VanDerWaalsContact O-CG1 3.26Å; R616-I620 WeakPolarHBondContact O-CG1 3.43Å; R616-I620 PolarHBondContact O-N 2.89Å; F617-I620 PolarHBondContact O-N 3.15Å; I620-K623 PolarHBondContact O-N 3.32Å; I620-I624 HydrophobicContact CG2-CD1 3.77Å; I620-I624 HydrophobicContact CG2-CG1 4.26Å; I620-I624 VanDerWaalsContact O-CG1 3.29Å; I620-I624 WeakPolarHBondContact O-CG1 3.42Å; I620-I624 PolarHBondContact O-N 2.87Å
621	R	83.1	Confident	80.5	Confident	76 Å²	76	59 Å²	59	29%	0.287	29%	0.291	S	S	.	.	H	α-helix	trans	-58.3	-49.4	174.6	-176.4	-178.9	71.3	156.3	4.8	111.5	F617 E618 F619 K623 I624 S625 I665	F617-R621 WeakPolarHBondContact O-CB 3.38Å; F617-R621 PolarHBondContact O-N 2.84Å; E618-R621 WeakPolarHBondContact O-CB 3.13Å; E618-R621 PolarHBondContact O-N 2.86Å; E618-R621 IonicContact OE1-CZ 3.24Å; E618-R621 IonicContact OE1-NH2 2.65Å; E618-R621 IonicContact OE2-CZ 2.83Å; E618-R621 IonicContact OE2-NE 3.9Å; E618-R621 PolarHBondContact OE2-NE 3.38Å; E618-R621 IonicContact OE2-NH2 3.4Å; E618-R621 PolarHBondContact OE2-NH2 3.27Å; F619-R621 VanDerWaalsContact C-N 3.29Å; F619-R621 PolarHBondContact O-N 2.87Å; R621-K623 VanDerWaalsContact C-N 3.35Å; R621-K623 PolarHBondContact O-N 3.26Å; R621-I624 PolarHBondContact O-N 2.85Å; R621-S625 WeakPolarHBondContact O-CB 3.31Å; R621-S625 PolarHBondContact O-N 2.92Å; R621-I665 HydrophobicContact CG-CG2 4.07Å; R621-I665 PolarHBondContact NH1-O 2.93Å
622	E	79.9	Confident	80.2	Confident	65 Å²	65	56.4 Å²	56.4	30%	0.304	29%	0.287	S	S	.	.	H	α-helix	trans	-58.8	-45.9	176.1	-172.6	-174.5	167.6	0	0	111.4	L397 E618 F619 I624 S625 Q626	L397-E622 VanDerWaalsContact CD1-OE1 3.32Å; L397-E622 WeakPolarHBondContact CD1-OE1 3.32Å; E618-E622 PolarHBondContact O-N 3.44Å; F619-E622 PolarHBondContact O-N 3.1Å; E622-I624 PolarHBondContact O-N 3.01Å; E622-S625 WeakPolarHBondContact O-CB 3.32Å; E622-S625 PolarHBondContact O-N 3.48Å; E622-Q626 WeakPolarHBondContact O-CG 3.39Å; E622-Q626 PolarHBondContact O-N 3.24Å
623	K	78.6	Confident	79.8	Confident	84 Å²	84	56.7 Å²	56.7	37%	0.365	29%	0.29	S	S	.	.	H	α-helix	trans	-60.9	-44	178.1	-175.8	-178.8	179.5	-177.8	0	112.6	F619 I620 R621 S625 Q626 N627	F619-K623 HydrophobicContact CE1-CD 4.45Å; F619-K623 HydrophobicContact CE2-CB 4.43Å; F619-K623 HydrophobicContact CZ-CB 4.21Å; F619-K623 HydrophobicContact CZ-CD 4.01Å; F619-K623 PolarHBondContact O-N 3.29Å; I620-K623 PolarHBondContact O-N 3.32Å; R621-K623 VanDerWaalsContact C-N 3.35Å; R621-K623 PolarHBondContact O-N 3.26Å; K623-S625 VanDerWaalsContact C-N 3.33Å; K623-Q626 PolarHBondContact O-N 2.8Å; K623-N627 WeakPolarHBondContact O-CB 3.38Å; K623-N627 VanDerWaalsContact O-CG 3.26Å; K623-N627 PolarHBondContact O-N 2.95Å; K623-N627 PolarHBondContact O-ND2 2.93Å
624	I	80.2	Confident	79.4	Confident	52 Å²	52	52.6 Å²	52.6	27%	0.267	27%	0.272	S	S	.	.	H	α-helix	trans	-64.2	-43	176.5	-66.2	170.5	0	0	0	109.5	I620 R621 E622 Q626 N627 I628 L662	I620-I624 HydrophobicContact CG2-CD1 3.77Å; I620-I624 HydrophobicContact CG2-CG1 4.26Å; I620-I624 VanDerWaalsContact O-CG1 3.29Å; I620-I624 WeakPolarHBondContact O-CG1 3.42Å; I620-I624 PolarHBondContact O-N 2.87Å; R621-I624 PolarHBondContact O-N 2.85Å; E622-I624 PolarHBondContact O-N 3.01Å; I624-Q626 PolarHBondContact O-N 3.42Å; I624-N627 WeakPolarHBondContact O-CB 3.09Å; I624-N627 PolarHBondContact O-N 2.86Å; I624-I628 HydrophobicContact CG2-CD1 3.7Å; I624-I628 HydrophobicContact CG2-CG1 4.41Å; I624-I628 WeakPolarHBondContact O-CG1 3.45Å; I624-I628 PolarHBondContact O-N 3.07Å; I624-L662 HydrophobicContact CB-CD1 4.41Å; I624-L662 HydrophobicContact CG2-CD1 3.62Å; I624-L662 HydrophobicContact CG2-CD2 4.25Å
625	S	80.8	Confident	79	Confident	45 Å²	45	49.4 Å²	49.4	32%	0.315	25%	0.253	S	S	.	.	H	α-helix	trans	-59.5	-44.7	176.1	-171.3	0	0	0	0	112.4	R621 E622 K623 I628 T629	R621-S625 WeakPolarHBondContact O-CB 3.31Å; R621-S625 PolarHBondContact O-N 2.92Å; E622-S625 WeakPolarHBondContact O-CB 3.32Å; E622-S625 PolarHBondContact O-N 3.48Å; K623-S625 VanDerWaalsContact C-N 3.33Å; S625-I628 PolarHBondContact O-N 2.79Å; S625-T629 WeakPolarHBondContact O-CB 3.42Å; S625-T629 PolarHBondContact O-N 3.48Å; S625-T629 PolarHBondContact O-OG1 3.45Å
626	Q	77.3	Confident	79.2	Confident	37 Å²	37	46.7 Å²	46.7	17%	0.173	24%	0.239	C	C	.	.	H	α-helix	trans	-60.9	-45	174.5	-76.7	172.1	-14	0	0	111.3	E622 K623 I624 I628 T629 N630	E622-Q626 WeakPolarHBondContact O-CG 3.39Å; E622-Q626 PolarHBondContact O-N 3.24Å; K623-Q626 PolarHBondContact O-N 2.8Å; I624-Q626 PolarHBondContact O-N 3.42Å; Q626-I628 PolarHBondContact O-N 3.07Å; Q626-T629 PolarHBondContact O-N 2.63Å; Q626-N630 VanDerWaalsContact O-CB 3.26Å; Q626-N630 WeakPolarHBondContact O-CB 3.17Å; Q626-N630 PolarHBondContact O-N 2.76Å; Q626-N630 PolarHBondContact O-ND2 2.88Å; Q626-N630 VanDerWaalsContact O-ND2 3.1Å
627	N	77	Confident	79.2	Confident	76 Å²	76	45.4 Å²	45.4	41%	0.406	24%	0.236	S	C	.	.	H	α-helix	trans	-60.7	-43.3	178.6	-74.9	-17.4	0	0	0	112.4	K623 I624 F631	K623-N627 WeakPolarHBondContact O-CB 3.38Å; K623-N627 VanDerWaalsContact O-CG 3.26Å; K623-N627 PolarHBondContact O-N 2.95Å; K623-N627 PolarHBondContact O-ND2 2.93Å; I624-N627 WeakPolarHBondContact O-CB 3.09Å; I624-N627 PolarHBondContact O-N 2.86Å; N627-F631 PolarHBondContact O-N 2.72Å
628	I	79	Confident	79	Confident	23 Å²	23	48.5 Å²	48.5	12%	0.118	25%	0.248	C	C	.	.	H	α-helix	trans	-70.3	-42.2	178.7	-62.9	160.5	0	0	0	110.5	I624 S625 Q626 N630 F631 N655 F658 I659 L662	I624-I628 HydrophobicContact CG2-CD1 3.7Å; I624-I628 HydrophobicContact CG2-CG1 4.41Å; I624-I628 WeakPolarHBondContact O-CG1 3.45Å; I624-I628 PolarHBondContact O-N 3.07Å; S625-I628 PolarHBondContact O-N 2.79Å; Q626-I628 PolarHBondContact O-N 3.07Å; I628-N630 VanDerWaalsContact C-N 3.3Å; I628-N630 PolarHBondContact O-N 3.06Å; I628-F631 WeakPolarHBondContact O-CB 3.42Å; I628-F631 PolarHBondContact O-N 3.21Å; I628-N655 HydrophobicContact CG2-CB 3.71Å; I628-F658 HydrophobicContact CD1-CB 3.76Å; I628-I659 HydrophobicContact CB-CG1 4.39Å; I628-I659 HydrophobicContact CG2-CD1 3.96Å; I628-I659 HydrophobicContact CG2-CG1 3.62Å; I628-L662 HydrophobicContact CD1-CD1 3.31Å
629	T	80.1	Confident	79.1	Confident	73 Å²	73	44.9 Å²	44.9	45%	0.448	23%	0.231	S	C	.	.	H	α-helix	trans	-63	-39	177.5	-54.7	0	0	0	0	111.4	S625 Q626 F631 S632	S625-T629 WeakPolarHBondContact O-CB 3.42Å; S625-T629 PolarHBondContact O-N 3.48Å; S625-T629 PolarHBondContact O-OG1 3.45Å; Q626-T629 PolarHBondContact O-N 2.63Å; T629-F631 PolarHBondContact O-N 3.23Å; T629-F631 VanDerWaalsContact O-N 3.14Å; T629-S632 PolarHBondContact O-N 3.29Å; T629-S632 PolarHBondContact O-OG 3.33Å
630	N	79.6	Confident	79.7	Confident	16 Å²	16	44.6 Å²	44.6	9%	0.086	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-68.9	-5.2	175.7	-70.9	-30.5	0	0	0	113.1	N324 D325 Q626 I628 S632 A633	N324-N630 PolarHBondContact OD1-OD1 2.96Å; D325-N630 PolarHBondContact N-OD1 3.48Å; D325-N630 PolarHBondContact O-ND2 2.84Å; Q626-N630 VanDerWaalsContact O-CB 3.26Å; Q626-N630 WeakPolarHBondContact O-CB 3.17Å; Q626-N630 PolarHBondContact O-N 2.76Å; Q626-N630 PolarHBondContact O-ND2 2.88Å; Q626-N630 VanDerWaalsContact O-ND2 3.1Å; I628-N630 VanDerWaalsContact C-N 3.3Å; I628-N630 PolarHBondContact O-N 3.06Å; N630-S632 VanDerWaalsContact C-N 3.28Å; N630-S632 PolarHBondContact O-N 3.29Å; N630-A633 PolarHBondContact O-N 2.81Å
631	F	79.3	Confident	80	Confident	21 Å²	21	42.7 Å²	42.7	9%	0.092	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-61	-36.5	172.3	-179	-92.8	0	0	0	112.2	N627 I628 T629 A633 K634 Y638 Q639 T642 N655	N627-F631 PolarHBondContact O-N 2.72Å; I628-F631 WeakPolarHBondContact O-CB 3.42Å; I628-F631 PolarHBondContact O-N 3.21Å; T629-F631 PolarHBondContact O-N 3.23Å; T629-F631 VanDerWaalsContact O-N 3.14Å; F631-A633 PolarHBondContact O-N 2.98Å; F631-A633 VanDerWaalsContact O-N 3.15Å; F631-K634 HydrophobicContact CD2-CG 4.4Å; F631-K634 VanDerWaalsContact O-CB 3.26Å; F631-K634 WeakPolarHBondContact O-CB 3.2Å; F631-K634 WeakPolarHBondContact O-CG 3.14Å; F631-K634 PolarHBondContact O-N 3.22Å; F631-Y638 HydrophobicContact CD2-CE1 4.14Å; F631-Y638 AromaticContact CE2-CD1 3.99Å; F631-Y638 HydrophobicContact CE2-CD1 3.99Å; F631-Y638 AromaticContact CE2-CE1 3.77Å; F631-Y638 HydrophobicContact CE2-CE1 3.77Å; F631-Q639 HydrophobicContact CD1-CG 4.31Å; F631-Q639 HydrophobicContact CE1-CB 4.06Å; F631-Q639 HydrophobicContact CE1-CG 3.7Å; F631-Q639 HydrophobicContact CZ-CB 3.99Å; F631-Q639 HydrophobicContact CZ-CG 3.83Å; F631-Q639 PolarHBondContact O-NE2 3.3Å; F631-T642 HydrophobicContact CE2-CG2 3.97Å; F631-T642 HydrophobicContact CZ-CG2 3.86Å; F631-N655 WeakPolarHBondContact CD1-ND2 3.16Å; F631-N655 WeakPolarHBondContact CD2-ND2 3.33Å; F631-N655 WeakPolarHBondContact CE1-ND2 3.39Å; F631-N655 WeakPolarHBondContact CG-ND2 3.38Å
632	S	75.4	Confident	80.1	Confident	75 Å²	75	40.5 Å²	40.5	52%	0.524	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-61.3	-25.7	179.4	70.7	0	0	0	0	113	T629 N630 Q639 Q744	T629-S632 PolarHBondContact O-N 3.29Å; T629-S632 PolarHBondContact O-OG 3.33Å; N630-S632 VanDerWaalsContact C-N 3.28Å; N630-S632 PolarHBondContact O-N 3.29Å; S632-Q639 PolarHBondContact O-NE2 3.34Å; S632-Q744 PolarHBondContact O-NE2 2.65Å; S632-Q744 VanDerWaalsContact O-NE2 3.15Å
633	A	73.2	Confident	80.6	Confident	18 Å²	18	39.3 Å²	39.3	15%	0.149	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-90.1	-4.8	178.5	0	0	0	0	0	113.1	Q167 Y168 N630 F631	Q167-A633 CarbonylContact C-O 3.57Å; Y168-A633 HydrophobicContact CD2-CB 3.81Å; Y168-A633 PolarHBondContact N-O 3.49Å; Y168-A633 VanDerWaalsContact N-O 3.09Å; N630-A633 PolarHBondContact O-N 2.81Å; F631-A633 PolarHBondContact O-N 2.98Å; F631-A633 VanDerWaalsContact O-N 3.15Å
634	K	74.3	Confident	81.1	Confident	37 Å²	37	36.6 Å²	36.6	16%	0.161	20%	0.204	C	C	.	.	S	Bend	trans	-66.5	151.9	171.4	-62.2	-70	-177.1	176.8	0	109.9	F631 Y638 Q639 Q744	F631-K634 HydrophobicContact CD2-CG 4.4Å; F631-K634 VanDerWaalsContact O-CB 3.26Å; F631-K634 WeakPolarHBondContact O-CB 3.2Å; F631-K634 WeakPolarHBondContact O-CG 3.14Å; F631-K634 PolarHBondContact O-N 3.22Å; K634-Y638 HydrophobicContact CB-CD1 3.81Å; K634-Y638 HydrophobicContact CB-CG 4.44Å; K634-Y638 HydrophobicContact CG-CD1 4.06Å; K634-Y638 HydrophobicContact CG-CE1 4.26Å; K634-Q639 HydrophobicContact CB-CG 4.35Å; K634-Q639 PolarHBondContact O-NE2 3.05Å; K634-Q744 PolarHBondContact O-NE2 2.83Å
635	P	74.9	Confident	81.3	Confident	15 Å²	15	36.2 Å²	36.2	10%	0.097	20%	0.204	C	C	.	.			trans	-59.9	148.9	-179.9	-24.4	36.5	0	0	0	112.1	Y168 H637 Y638 Q639	Y168-P635 WeakPolarHBondContact O-CD 3.37Å; P635-H637 VanDerWaalsContact C-N 3.28Å; P635-H637 VanDerWaalsContact CB-CE1 3.47Å; P635-H637 WeakPolarHBondContact CB-CE1 3.33Å; P635-H637 WeakPolarHBondContact CB-ND1 3.28Å; P635-H637 PolarHBondContact O-N 2.85Å; P635-Y638 WeakPolarHBondContact O-CB 3.2Å; P635-Y638 PolarHBondContact O-N 3.27Å; P635-Q639 PolarHBondContact O-N 2.84Å
636	S	84.2	Confident	81.6	Confident	7 Å²	7	35.4 Å²	35.4	5%	0.049	20%	0.196	C	C	.	.	H	α-helix	trans	-57.5	-34.7	-174.7	49.5	0	0	0	0	114.1	Y638 Q639 A640 A746	S636-Y638 PolarHBondContact O-N 3.27Å; S636-Q639 PolarHBondContact O-N 3.09Å; S636-A640 PolarHBondContact O-N 3.35Å; S636-A746 WeakPolarHBondContact CB-O 3.32Å; S636-A746 PolarHBondContact OG-O 2.99Å
637	H	80.5	Confident	82.1	Confident	44 Å²	44	37.6 Å²	37.6	20%	0.204	21%	0.208	C	C	.	.	H	α-helix	trans	-62.9	-41.2	175.1	73.5	-86.6	0	0	0	112.8	P635 Q639 A640 C641 A748 I790 L807 Q809	P635-H637 VanDerWaalsContact C-N 3.28Å; P635-H637 VanDerWaalsContact CB-CE1 3.47Å; P635-H637 WeakPolarHBondContact CB-CE1 3.33Å; P635-H637 WeakPolarHBondContact CB-ND1 3.28Å; P635-H637 PolarHBondContact O-N 2.85Å; H637-Q639 VanDerWaalsContact C-N 3.33Å; H637-Q639 PolarHBondContact O-N 3.31Å; H637-A640 PolarHBondContact O-N 3.1Å; H637-C641 PolarHBondContact O-N 3.39Å; H637-C641 VanDerWaalsContact O-N 3.09Å; H637-C641 PolarHBondContact O-SG 3.34Å; H637-A748 HydrophobicContact CB-CB 4.22Å; H637-I790 VanDerWaalsContact CE1-CD1 3.49Å; H637-I790 WeakPolarHBondContact CE1-CD1 3.21Å; H637-I790 WeakPolarHBondContact ND1-CD1 3.45Å; H637-L807 HydrophobicContact CB-CD1 3.95Å; H637-L807 HydrophobicContact CB-CD2 4.1Å; H637-L807 HydrophobicContact CB-CG 4.16Å; H637-Q809 HydrophobicContact CB-CB 4.21Å; H637-Q809 PolarHBondContact ND1-OE1 3.21Å
638	Y	81.3	Confident	82.6	Confident	75 Å²	75	34.3 Å²	34.3	29%	0.294	19%	0.191	S	C	.	.	H	α-helix	trans	-63.9	-42.7	178.5	-177.1	-90.1	0	0	0	110.4	C174 F631 K634 P635 S636 C641 T642	C174-Y638 PolarHBondContact SG-OH 2.99Å; C174-Y638 VanDerWaalsContact SG-OH 3.35Å; F631-Y638 HydrophobicContact CD2-CE1 4.14Å; F631-Y638 AromaticContact CE2-CD1 3.99Å; F631-Y638 HydrophobicContact CE2-CD1 3.99Å; F631-Y638 AromaticContact CE2-CE1 3.77Å; F631-Y638 HydrophobicContact CE2-CE1 3.77Å; K634-Y638 HydrophobicContact CB-CD1 3.81Å; K634-Y638 HydrophobicContact CB-CG 4.44Å; K634-Y638 HydrophobicContact CG-CD1 4.06Å; K634-Y638 HydrophobicContact CG-CE1 4.26Å; P635-Y638 WeakPolarHBondContact O-CB 3.2Å; P635-Y638 PolarHBondContact O-N 3.27Å; S636-Y638 PolarHBondContact O-N 3.27Å; Y638-C641 WeakPolarHBondContact O-CB 3.41Å; Y638-C641 PolarHBondContact O-N 2.95Å; Y638-T642 PolarHBondContact O-N 3.19Å; Y638-T642 PolarHBondContact O-OG1 3.4Å
639	Q	85.5	Confident	82.8	Confident	3 Å²	3	35.1 Å²	35.1	1%	0.014	20%	0.195	C	C	.	.	H	α-helix	trans	-63.9	-42.1	176.7	-58.8	-169.5	41.2	0	0	111.8	F631 S632 K634 P635 S636 H637 C641 T642 Y643 I741 Q744	F631-Q639 HydrophobicContact CD1-CG 4.31Å; F631-Q639 HydrophobicContact CE1-CB 4.06Å; F631-Q639 HydrophobicContact CE1-CG 3.7Å; F631-Q639 HydrophobicContact CZ-CB 3.99Å; F631-Q639 HydrophobicContact CZ-CG 3.83Å; F631-Q639 PolarHBondContact O-NE2 3.3Å; S632-Q639 PolarHBondContact O-NE2 3.34Å; K634-Q639 HydrophobicContact CB-CG 4.35Å; K634-Q639 PolarHBondContact O-NE2 3.05Å; P635-Q639 PolarHBondContact O-N 2.84Å; S636-Q639 PolarHBondContact O-N 3.09Å; H637-Q639 VanDerWaalsContact C-N 3.33Å; H637-Q639 PolarHBondContact O-N 3.31Å; Q639-C641 VanDerWaalsContact C-N 3.33Å; Q639-C641 PolarHBondContact O-N 3.32Å; Q639-T642 PolarHBondContact O-N 3.37Å; Q639-Y643 HydrophobicContact CB-CD2 4.36Å; Q639-Y643 HydrophobicContact CB-CE2 3.87Å; Q639-Y643 WeakPolarHBondContact O-CD2 3.34Å; Q639-Y643 PolarHBondContact O-N 2.8Å; Q639-I741 HydrophobicContact CB-CD1 4.3Å; Q639-I741 VanDerWaalsContact OE1-CD1 3.24Å; Q639-Q744 VanDerWaalsContact NE2-NE2 3.12Å
640	A	88.3	Confident	82.8	Confident	19 Å²	19	38.5 Å²	38.5	16%	0.157	21%	0.205	C	C	.	.	H	α-helix	trans	-58.7	-42.2	176.4	0	0	0	0	0	112.3	S636 H637 Y643 L644 A748	S636-A640 PolarHBondContact O-N 3.35Å; H637-A640 PolarHBondContact O-N 3.1Å; A640-Y643 PolarHBondContact O-N 3.02Å; A640-L644 PolarHBondContact O-N 2.86Å; A640-A748 HydrophobicContact CB-CB 4.43Å
641	C	87.3	Confident	82.8	Confident	35 Å²	35	41.9 Å²	41.9	24%	0.236	22%	0.221	C	C	.	.	H	α-helix	trans	-58.2	-48.3	173.4	-60.9	0	0	0	0	112	H637 Y638 Q639 L644 T645 Y750	H637-C641 PolarHBondContact O-N 3.39Å; H637-C641 VanDerWaalsContact O-N 3.09Å; H637-C641 PolarHBondContact O-SG 3.34Å; Y638-C641 WeakPolarHBondContact O-CB 3.41Å; Y638-C641 PolarHBondContact O-N 2.95Å; Q639-C641 VanDerWaalsContact C-N 3.33Å; Q639-C641 PolarHBondContact O-N 3.32Å; C641-L644 PolarHBondContact O-N 3.13Å; C641-T645 PolarHBondContact O-N 3.15Å; C641-T645 VanDerWaalsContact O-N 3.11Å; C641-T645 PolarHBondContact O-OG1 2.65Å; C641-Y750 HydrophobicContact CB-CD2 4.05Å; C641-Y750 HydrophobicContact CB-CE2 3.92Å; C641-Y750 WeakPolarHBondContact SG-CD2 3.44Å; C641-Y750 WeakPolarHBondContact SG-CE2 3.46Å
642	T	86.2	Confident	82.9	Confident	31 Å²	31	42.5 Å²	42.5	19%	0.19	23%	0.227	C	C	.	.	H	α-helix	trans	-62.1	-44.7	179.6	-56.6	0	0	0	0	111.6	F631 Y638 Q639 L644 T645 N646	F631-T642 HydrophobicContact CE2-CG2 3.97Å; F631-T642 HydrophobicContact CZ-CG2 3.86Å; Y638-T642 PolarHBondContact O-N 3.19Å; Y638-T642 PolarHBondContact O-OG1 3.4Å; Q639-T642 PolarHBondContact O-N 3.37Å; T642-L644 PolarHBondContact O-N 3.1Å; T642-T645 PolarHBondContact O-N 2.78Å; T642-N646 PolarHBondContact O-N 3.14Å; T642-N646 PolarHBondContact O-OD1 2.94Å
643	Y	89.4	Confident	83.1	Confident	39 Å²	39	41.6 Å²	41.6	15%	0.153	21%	0.213	C	C	.	.	H	α-helix	trans	-62.6	-41.6	178.4	-66.4	-51.9	0	0	0	112.1	Q639 A640 T645 N646 I647 Y737 R739	Q639-Y643 HydrophobicContact CB-CD2 4.36Å; Q639-Y643 HydrophobicContact CB-CE2 3.87Å; Q639-Y643 WeakPolarHBondContact O-CD2 3.34Å; Q639-Y643 PolarHBondContact O-N 2.8Å; A640-Y643 PolarHBondContact O-N 3.02Å; Y643-T645 PolarHBondContact O-N 3.24Å; Y643-N646 PolarHBondContact O-N 2.69Å; Y643-I647 WeakPolarHBondContact O-CD1 3.14Å; Y643-I647 VanDerWaalsContact O-CG1 3.22Å; Y643-I647 WeakPolarHBondContact O-CG1 3.28Å; Y643-I647 PolarHBondContact O-N 2.97Å; Y643-Y737 HydrophobicContact CD1-CE1 4.27Å; Y643-Y737 HydrophobicContact CG-CE1 4.05Å; Y643-R739 HydrophobicContact CE2-CB 4.5Å; Y643-R739 HydrophobicContact CE2-CG 4.45Å
644	L	88.9	Confident	83.6	Confident	27 Å²	27	42.8 Å²	42.8	14%	0.141	22%	0.216	C	C	.	.	H	α-helix	trans	-61.3	-45.9	176.3	-178.2	71.1	0	0	0	111.6	A640 C641 T642 N646 I647 T648 Y750 Y752	A640-L644 PolarHBondContact O-N 2.86Å; C641-L644 PolarHBondContact O-N 3.13Å; T642-L644 PolarHBondContact O-N 3.1Å; L644-N646 VanDerWaalsContact C-N 3.27Å; L644-N646 PolarHBondContact O-N 3.05Å; L644-I647 PolarHBondContact O-N 3.5Å; L644-T648 HydrophobicContact CD1-CG2 3.82Å; L644-T648 HydrophobicContact CG-CG2 4.13Å; L644-T648 WeakPolarHBondContact O-CB 3.35Å; L644-T648 WeakPolarHBondContact O-CG2 3.14Å; L644-T648 PolarHBondContact O-N 2.91Å; L644-T648 PolarHBondContact O-OG1 2.84Å; L644-Y750 HydrophobicContact CD2-CD1 3.31Å; L644-Y750 HydrophobicContact CD2-CE1 3.07Å; L644-Y750 HydrophobicContact CD2-CE2 4.34Å; L644-Y750 HydrophobicContact CD2-CG 4.02Å; L644-Y750 HydrophobicContact CG-CE1 4.49Å; L644-Y752 HydrophobicContact CD1-CD1 4.33Å; L644-Y752 HydrophobicContact CD2-CD1 4.28Å; L644-Y752 HydrophobicContact CD2-CG 4.02Å
645	T	85.3	Confident	84	Confident	45 Å²	45	42.7 Å²	42.7	28%	0.276	22%	0.217	S	C	.	.	H	α-helix	trans	-57.5	-44.1	176.6	-64	0	0	0	0	110.9	C641 T642 Y643 I647 T648 L649	C641-T645 PolarHBondContact O-N 3.15Å; C641-T645 VanDerWaalsContact O-N 3.11Å; C641-T645 PolarHBondContact O-OG1 2.65Å; T642-T645 PolarHBondContact O-N 2.78Å; Y643-T645 PolarHBondContact O-N 3.24Å; T645-I647 PolarHBondContact O-N 3.2Å; T645-T648 PolarHBondContact O-N 2.85Å; T645-T648 PolarHBondContact O-OG1 2.93Å; T645-L649 HydrophobicContact CG2-CD1 3.72Å; T645-L649 HydrophobicContact CG2-CG 4.4Å; T645-L649 VanDerWaalsContact O-CG 3.28Å; T645-L649 WeakPolarHBondContact O-CG 3.41Å; T645-L649 PolarHBondContact O-N 3.22Å
646	N	85.8	Confident	84.3	Confident	28 Å²	28	46.3 Å²	46.3	15%	0.15	24%	0.236	C	C	.	.	H	α-helix	trans	-64.4	-40.4	179.3	-69.7	1.1	0	0	0	112.3	T642 Y643 L644 S652 W653 I654	T642-N646 PolarHBondContact O-N 3.14Å; T642-N646 PolarHBondContact O-OD1 2.94Å; Y643-N646 PolarHBondContact O-N 2.69Å; L644-N646 VanDerWaalsContact C-N 3.27Å; L644-N646 PolarHBondContact O-N 3.05Å; N646-S652 VanDerWaalsContact C-OG 3.24Å; N646-S652 WeakPolarHBondContact CA-OG 3.46Å; N646-S652 WeakPolarHBondContact CB-OG 3.37Å; N646-S652 PolarHBondContact O-OG 2.7Å; N646-W653 PolarHBondContact ND2-O 2.91Å; N646-I654 HydrophobicContact CB-CG2 4.49Å
647	I	88.2	Confident	84.4	Confident	82 Å²	82	48.4 Å²	48.4	42%	0.421	25%	0.246	S	C	.	.	H	α-helix	trans	-73.9	-32.2	-178	-66	160.6	0	0	0	112.4	Y643 L644 T645 Y737	Y643-I647 WeakPolarHBondContact O-CD1 3.14Å; Y643-I647 VanDerWaalsContact O-CG1 3.22Å; Y643-I647 WeakPolarHBondContact O-CG1 3.28Å; Y643-I647 PolarHBondContact O-N 2.97Å; L644-I647 PolarHBondContact O-N 3.5Å; T645-I647 PolarHBondContact O-N 3.2Å; I647-Y737 HydrophobicContact CD1-CD1 3.53Å; I647-Y737 HydrophobicContact CD1-CD2 3.64Å; I647-Y737 HydrophobicContact CD1-CE1 4.01Å; I647-Y737 HydrophobicContact CD1-CE2 4.1Å; I647-Y737 HydrophobicContact CD1-CG 3.31Å
648	T	87.1	Confident	84.5	Confident	8 Å²	8	47.6 Å²	47.6	5%	0.049	24%	0.242	C	C	.	.	H	α-helix	trans	-85.8	-23	-175.4	50.1	0	0	0	0	113.4	L644 T645 E726 V727 Y752 R796	L644-T648 HydrophobicContact CD1-CG2 3.82Å; L644-T648 HydrophobicContact CG-CG2 4.13Å; L644-T648 WeakPolarHBondContact O-CB 3.35Å; L644-T648 WeakPolarHBondContact O-CG2 3.14Å; L644-T648 PolarHBondContact O-N 2.91Å; L644-T648 PolarHBondContact O-OG1 2.84Å; T645-T648 PolarHBondContact O-N 2.85Å; T645-T648 PolarHBondContact O-OG1 2.93Å; T648-E726 CarbonylContact O-C 3.42Å; T648-E726 VanDerWaalsContact O-CA 3.27Å; T648-E726 WeakPolarHBondContact O-CA 3.26Å; T648-E726 WeakPolarHBondContact O-CG 3.27Å; T648-V727 PolarHBondContact O-N 3.24Å; T648-Y752 HydrophobicContact CG2-CD1 4.48Å; T648-Y752 HydrophobicContact CG2-CE1 4.42Å; T648-R796 PolarHBondContact OG1-NH2 2.89Å
649	L	84.1	Confident	84.5	Confident	40 Å²	40	46.2 Å²	46.2	21%	0.209	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-78.1	139.1	174	-70.2	172.2	0	0	0	111	T645 H651 P724 E726	T645-L649 HydrophobicContact CG2-CD1 3.72Å; T645-L649 HydrophobicContact CG2-CG 4.4Å; T645-L649 VanDerWaalsContact O-CG 3.28Å; T645-L649 WeakPolarHBondContact O-CG 3.41Å; T645-L649 PolarHBondContact O-N 3.22Å; L649-H651 PolarHBondContact O-N 2.98Å; L649-P724 HydrophobicContact CD2-CB 4.43Å; L649-E726 HydrophobicContact CD2-CG 4.05Å
650	H	80.5	Confident	84.4	Confident	143 Å²	143	51.9 Å²	51.9	66%	0.662	27%	0.266	S	S	*	.	S	Bend	trans	-59.3	-30.1	177.1	176.4	-81.7	0	0	0	112.7	R725	H650-R725 HydrophobicContact CB-CB 3.93Å; H650-R725 VanDerWaalsContact CB-O 3.28Å; H650-R725 WeakPolarHBondContact CB-O 3.41Å; H650-R725 PolarHBondContact N-O 3.4Å
651	H	78.9	Confident	84.3	Confident	88 Å²	88	51.9 Å²	51.9	41%	0.407	27%	0.266	S	S	.	.	S	Bend	trans	-140.3	124.7	175.3	-170.2	72.1	0	0	0	108.9	F574 L649 W653	F574-H651 PolarHBondContact O-NE2 3.45Å; L649-H651 PolarHBondContact O-N 2.98Å; H651-W653 AromaticContact CE1-CE2 3.75Å; H651-W653 AromaticContact CE1-CH2 3.65Å; H651-W653 AromaticContact CE1-CZ2 3.24Å; H651-W653 WeakPolarHBondContact CE1-CZ2 3.3Å; H651-W653 AromaticContact NE2-CE2 3.27Å; H651-W653 VanDerWaalsContact NE2-CE2 3.27Å; H651-W653 AromaticContact NE2-CH2 3.94Å; H651-W653 AromaticContact NE2-CZ2 3.05Å; H651-W653 WeakPolarHBondContact NE2-CZ2 3.41Å; H651-W653 AromaticContact NE2-NE1 3.39Å; H651-W653 PolarHBondContact NE2-NE1 2.83Å
652	S	81	Confident	84.1	Confident	33 Å²	33	50.9 Å²	50.9	23%	0.231	26%	0.258	C	S	.	.			trans	-156.2	158.8	175.6	72.6	0	0	0	0	109.5	N646	N646-S652 VanDerWaalsContact C-OG 3.24Å; N646-S652 WeakPolarHBondContact CA-OG 3.46Å; N646-S652 WeakPolarHBondContact CB-OG 3.37Å; N646-S652 PolarHBondContact O-OG 2.7Å
653	W	81	Confident	83.9	Confident	57 Å²	57	56.2 Å²	56.2	22%	0.216	28%	0.281	C	S	.	.			trans	-115.7	140.9	175.3	-52.2	106.1	0	0	0	109.7	P577 E580 N646 H651 D657 F658	P577-W653 HydrophobicContact CB-CB 4.14Å; P577-W653 HydrophobicContact CB-CD2 4.12Å; P577-W653 HydrophobicContact CB-CG 3.85Å; P577-W653 HydrophobicContact CG-CB 4.19Å; P577-W653 HydrophobicContact CG-CD2 3.46Å; P577-W653 VanDerWaalsContact CG-CD2 3.46Å; P577-W653 HydrophobicContact CG-CE3 3.61Å; P577-W653 HydrophobicContact CG-CG 3.71Å; P577-W653 HydrophobicContact CG-CH2 4.5Å; P577-W653 HydrophobicContact CG-CZ2 4.39Å; P577-W653 HydrophobicContact CG-CZ3 4.14Å; E580-W653 PolarHBondContact OE2-NE1 2.91Å; N646-W653 PolarHBondContact ND2-O 2.91Å; H651-W653 AromaticContact CE1-CE2 3.75Å; H651-W653 AromaticContact CE1-CH2 3.65Å; H651-W653 AromaticContact CE1-CZ2 3.24Å; H651-W653 WeakPolarHBondContact CE1-CZ2 3.3Å; H651-W653 AromaticContact NE2-CE2 3.27Å; H651-W653 VanDerWaalsContact NE2-CE2 3.27Å; H651-W653 AromaticContact NE2-CH2 3.94Å; H651-W653 AromaticContact NE2-CZ2 3.05Å; H651-W653 WeakPolarHBondContact NE2-CZ2 3.41Å; H651-W653 AromaticContact NE2-NE1 3.39Å; H651-W653 PolarHBondContact NE2-NE1 2.83Å; W653-D657 HydrophobicContact CB-CB 4.15Å; W653-D657 HydrophobicContact CE3-CB 4.22Å; W653-F658 HydrophobicContact CB-CD2 4.21Å; W653-F658 HydrophobicContact CB-CE2 3.64Å; W653-F658 HydrophobicContact CB-CZ 3.82Å; W653-F658 HydrophobicContact CG-CZ 4.45Å
654	I	83.8	Confident	83.7	Confident	43 Å²	43	59 Å²	59	22%	0.221	30%	0.299	C	S	.	.			trans	-87.9	163.1	171.3	57.7	165	0	0	0	110	N646 D656 D657 F658	N646-I654 HydrophobicContact CB-CG2 4.49Å; I654-D656 HydrophobicContact CD1-CB 4.02Å; I654-D656 HydrophobicContact CG1-CB 4.3Å; I654-D656 PolarHBondContact O-N 2.89Å; I654-D656 VanDerWaalsContact O-N 3.14Å; I654-D657 WeakPolarHBondContact CG1-OD2 3.42Å; I654-D657 PolarHBondContact N-OD2 3.41Å; I654-D657 WeakPolarHBondContact O-CB 3.46Å; I654-D657 PolarHBondContact O-N 2.76Å; I654-F658 VanDerWaalsContact O-CD2 3.32Å; I654-F658 WeakPolarHBondContact O-CD2 3.38Å; I654-F658 PolarHBondContact O-N 3.43Å
655	N	81.6	Confident	83.5	Confident	35 Å²	35	58.2 Å²	58.2	19%	0.187	29%	0.294	C	S	.	.	H	α-helix	trans	-55.4	-33.9	-179.2	-70.3	-38.8	0	0	0	113.5	I628 F631 D657 F658 I659	I628-N655 HydrophobicContact CG2-CB 3.71Å; F631-N655 WeakPolarHBondContact CD1-ND2 3.16Å; F631-N655 WeakPolarHBondContact CD2-ND2 3.33Å; F631-N655 WeakPolarHBondContact CE1-ND2 3.39Å; F631-N655 WeakPolarHBondContact CG-ND2 3.38Å; N655-D657 VanDerWaalsContact C-N 3.31Å; N655-D657 PolarHBondContact O-N 2.63Å; N655-F658 PolarHBondContact O-N 2.95Å; N655-I659 WeakPolarHBondContact O-CG1 3.42Å; N655-I659 PolarHBondContact O-N 2.79Å
656	D	81.6	Confident	83.6	Confident	90 Å²	90	58.6 Å²	58.6	48%	0.481	30%	0.297	S	S	.	.	H	α-helix	trans	-61.9	-38.4	176.4	-62.5	-26.1	0	0	0	111.7	I654 I659 Q660	I654-D656 HydrophobicContact CD1-CB 4.02Å; I654-D656 HydrophobicContact CG1-CB 4.3Å; I654-D656 PolarHBondContact O-N 2.89Å; I654-D656 VanDerWaalsContact O-N 3.14Å; D656-I659 PolarHBondContact O-N 3.09Å; D656-Q660 PolarHBondContact O-N 3.45Å
657	D	85.9	Confident	83.8	Confident	51 Å²	51	59.8 Å²	59.8	27%	0.273	30%	0.299	S	S	.	.	H	α-helix	trans	-66	-40.4	176.6	-54.8	-39.4	0	0	0	111	P577 W653 I654 N655 Q660 A661	P577-D657 HydrophobicContact CB-CB 4.49Å; P577-D657 HydrophobicContact CG-CB 3.85Å; W653-D657 HydrophobicContact CB-CB 4.15Å; W653-D657 HydrophobicContact CE3-CB 4.22Å; I654-D657 WeakPolarHBondContact CG1-OD2 3.42Å; I654-D657 PolarHBondContact N-OD2 3.41Å; I654-D657 WeakPolarHBondContact O-CB 3.46Å; I654-D657 PolarHBondContact O-N 2.76Å; N655-D657 VanDerWaalsContact C-N 3.31Å; N655-D657 PolarHBondContact O-N 2.63Å; D657-Q660 PolarHBondContact O-N 3.16Å; D657-A661 VanDerWaalsContact O-CB 3.3Å; D657-A661 WeakPolarHBondContact O-CB 3.29Å; D657-A661 PolarHBondContact O-N 2.91Å
658	F	83	Confident	83.9	Confident	27 Å²	27	61.6 Å²	61.6	12%	0.118	31%	0.306	C	S	.	.	H	α-helix	trans	-66.7	-40.6	175.9	-70	-76.4	0	0	0	111.9	P577 T581 I628 W653 I654 N655 Q660 A661 L662	P577-F658 HydrophobicContact CB-CD1 3.59Å; P577-F658 HydrophobicContact CB-CE1 3.81Å; P577-F658 HydrophobicContact CB-CG 4.13Å; P577-F658 HydrophobicContact CB-CZ 4.49Å; P577-F658 VanDerWaalsContact O-CE1 3.22Å; P577-F658 WeakPolarHBondContact O-CE1 3.48Å; T581-F658 HydrophobicContact CG2-CD1 3.55Å; T581-F658 HydrophobicContact CG2-CE1 3.51Å; I628-F658 HydrophobicContact CD1-CB 3.76Å; W653-F658 HydrophobicContact CB-CD2 4.21Å; W653-F658 HydrophobicContact CB-CE2 3.64Å; W653-F658 HydrophobicContact CB-CZ 3.82Å; W653-F658 HydrophobicContact CG-CZ 4.45Å; I654-F658 VanDerWaalsContact O-CD2 3.32Å; I654-F658 WeakPolarHBondContact O-CD2 3.38Å; I654-F658 PolarHBondContact O-N 3.43Å; N655-F658 PolarHBondContact O-N 2.95Å; F658-Q660 VanDerWaalsContact C-N 3.34Å; F658-Q660 PolarHBondContact O-N 3.16Å; F658-A661 PolarHBondContact O-N 3.39Å; F658-L662 WeakPolarHBondContact O-CB 3.42Å; F658-L662 WeakPolarHBondContact O-CD1 3.34Å; F658-L662 WeakPolarHBondContact O-CG 3.19Å; F658-L662 PolarHBondContact O-N 3.31Å
659	I	81.4	Confident	83.9	Confident	47 Å²	47	66.2 Å²	66.2	24%	0.241	33%	0.326	C	S	.	.	H	α-helix	trans	-60.3	-46.8	176.1	-69.9	167.4	0	0	0	110	I628 N655 D656 L662 Q663	I628-I659 HydrophobicContact CB-CG1 4.39Å; I628-I659 HydrophobicContact CG2-CD1 3.96Å; I628-I659 HydrophobicContact CG2-CG1 3.62Å; N655-I659 WeakPolarHBondContact O-CG1 3.42Å; N655-I659 PolarHBondContact O-N 2.79Å; D656-I659 PolarHBondContact O-N 3.09Å; I659-L662 PolarHBondContact O-N 3.07Å; I659-Q663 WeakPolarHBondContact O-CG 3.42Å; I659-Q663 PolarHBondContact O-N 2.97Å
660	Q	84.1	Confident	84.1	Confident	122 Å²	122	65.5 Å²	65.5	57%	0.57	32%	0.322	S	S	*	.	H	α-helix	trans	-62.7	-46.1	177.9	-171.3	174.4	10.7	0	0	111.4	D656 D657 F658 L662 Q663 D664	D656-Q660 PolarHBondContact O-N 3.45Å; D657-Q660 PolarHBondContact O-N 3.16Å; F658-Q660 VanDerWaalsContact C-N 3.34Å; F658-Q660 PolarHBondContact O-N 3.16Å; Q660-L662 VanDerWaalsContact C-N 3.3Å; Q660-L662 PolarHBondContact O-N 2.76Å; Q660-Q663 WeakPolarHBondContact O-CB 3.41Å; Q660-Q663 PolarHBondContact O-N 3.19Å; Q660-Q663 VanDerWaalsContact O-N 3.16Å; Q660-D664 PolarHBondContact O-N 3.41Å
661	A	84.7	Confident	84.4	Confident	18 Å²	18	59.2 Å²	59.2	15%	0.149	29%	0.293	C	S	.	.	H	α-helix	trans	-63.5	-33.7	179	0	0	0	0	0	113.2	P577 L578 D657 F658 Q663 D664 I665	P577-A661 HydrophobicContact CB-CB 4.04Å; P577-A661 HydrophobicContact CG-CB 4.23Å; L578-A661 HydrophobicContact CB-CB 4.35Å; D657-A661 VanDerWaalsContact O-CB 3.3Å; D657-A661 WeakPolarHBondContact O-CB 3.29Å; D657-A661 PolarHBondContact O-N 2.91Å; F658-A661 PolarHBondContact O-N 3.39Å; A661-Q663 VanDerWaalsContact C-N 3.33Å; A661-D664 PolarHBondContact O-N 3.24Å; A661-I665 PolarHBondContact O-N 3.21Å
662	L	82.6	Confident	84.8	Confident	14 Å²	14	59 Å²	59	7%	0.073	30%	0.296	C	S	.	.	H	α-helix	trans	-74.1	-21.4	176.9	-74.4	168.7	0	0	0	113.6	I624 I628 F658 I659 Q660 D664 I665	I624-L662 HydrophobicContact CB-CD1 4.41Å; I624-L662 HydrophobicContact CG2-CD1 3.62Å; I624-L662 HydrophobicContact CG2-CD2 4.25Å; I628-L662 HydrophobicContact CD1-CD1 3.31Å; F658-L662 WeakPolarHBondContact O-CB 3.42Å; F658-L662 WeakPolarHBondContact O-CD1 3.34Å; F658-L662 WeakPolarHBondContact O-CG 3.19Å; F658-L662 PolarHBondContact O-N 3.31Å; I659-L662 PolarHBondContact O-N 3.07Å; Q660-L662 VanDerWaalsContact C-N 3.3Å; Q660-L662 PolarHBondContact O-N 2.76Å; L662-D664 VanDerWaalsContact C-N 3.31Å; L662-I665 HydrophobicContact CD2-CG2 4.31Å; L662-I665 WeakPolarHBondContact O-CG2 3.44Å
663	Q	83.3	Confident	85	Confident	143 Å²	143	58 Å²	58	67%	0.668	29%	0.287	S	S	*	.	H	α-helix	trans	-71.3	-33.5	170.4	-70.1	174	-3.6	0	0	110.9	I659 Q660 A661	I659-Q663 WeakPolarHBondContact O-CG 3.42Å; I659-Q663 PolarHBondContact O-N 2.97Å; Q660-Q663 WeakPolarHBondContact O-CB 3.41Å; Q660-Q663 PolarHBondContact O-N 3.19Å; Q660-Q663 VanDerWaalsContact O-N 3.16Å; A661-Q663 VanDerWaalsContact C-N 3.33Å
664	D	84.6	Confident	85.2	Confident	99 Å²	99	56.8 Å²	56.8	53%	0.529	28%	0.284	S	S	.	.	H	α-helix	trans	-87.1	-11.6	-177.2	-70.7	-22.9	0	0	0	114.4	Q660 A661 L662 T666 K669	Q660-D664 PolarHBondContact O-N 3.41Å; A661-D664 PolarHBondContact O-N 3.24Å; L662-D664 VanDerWaalsContact C-N 3.31Å; D664-T666 PolarHBondContact O-N 2.74Å; D664-K669 PolarHBondContact O-NZ 3.29Å
665	I	85	Confident	85.2	Confident	9 Å²	9	59.6 Å²	59.6	5%	0.046	30%	0.295	C	S	.	.			trans	-73.2	124.7	178.5	-166.2	175.1	0	0	0	110.8	L578 F617 R621 A661 L662 L670	L578-I665 HydrophobicContact CD1-CB 4.15Å; L578-I665 HydrophobicContact CD1-CD1 3.28Å; L578-I665 HydrophobicContact CD1-CG1 4.04Å; L578-I665 HydrophobicContact CD2-CB 4.11Å; L578-I665 HydrophobicContact CD2-CD1 3.86Å; L578-I665 HydrophobicContact CD2-CG1 3.87Å; L578-I665 HydrophobicContact CG-CD1 4.12Å; F617-I665 HydrophobicContact CE2-CD1 4.08Å; F617-I665 HydrophobicContact CE2-CG1 4.14Å; F617-I665 HydrophobicContact CE2-CG2 4.49Å; F617-I665 HydrophobicContact CZ-CG1 4.24Å; F617-I665 HydrophobicContact CZ-CG2 4.22Å; R621-I665 HydrophobicContact CG-CG2 4.07Å; R621-I665 PolarHBondContact NH1-O 2.93Å; A661-I665 PolarHBondContact O-N 3.21Å; L662-I665 HydrophobicContact CD2-CG2 4.31Å; L662-I665 WeakPolarHBondContact O-CG2 3.44Å; I665-L670 HydrophobicContact CD1-CB 4.26Å; I665-L670 HydrophobicContact CD1-CD1 4.49Å
666	T	88.5	Confident	85.4	Confident	54 Å²	54	63 Å²	63	33%	0.331	31%	0.309	S	S	.	.			trans	-110.3	163.1	170.7	77.3	0	0	0	0	110.2	D664 E668 K669 L670	D664-T666 PolarHBondContact O-N 2.74Å; T666-E668 VanDerWaalsContact C-N 3.27Å; T666-E668 VanDerWaalsContact CB-OE2 3.24Å; T666-E668 WeakPolarHBondContact CB-OE2 3.48Å; T666-E668 PolarHBondContact O-N 2.83Å; T666-E668 PolarHBondContact OG1-OE2 3.17Å; T666-K669 PolarHBondContact O-N 3.37Å; T666-K669 PolarHBondContact OG1-N 2.98Å; T666-L670 PolarHBondContact O-N 3.34Å; T666-L670 VanDerWaalsContact O-N 3.11Å
667	Y	89.2	Confident	85.6	Confident	52 Å²	52	59 Å²	59	20%	0.204	29%	0.288	C	S	.	.	H	α-helix	trans	-55.9	-43.9	175.7	177.7	-97.6	0	0	0	111.6	P612 F617 K669 L670 V671	P612-Y667 HydrophobicContact CB-CE2 4.43Å; P612-Y667 WeakPolarHBondContact O-CE2 3.34Å; P612-Y667 VanDerWaalsContact O-CZ 3.24Å; P612-Y667 PolarHBondContact O-OH 3.1Å; F617-Y667 HydrophobicContact CB-CD2 3.88Å; F617-Y667 HydrophobicContact CB-CE2 4.46Å; F617-Y667 HydrophobicContact CD1-CD2 4.17Å; F617-Y667 AromaticContact CG-CD2 3.96Å; F617-Y667 HydrophobicContact CG-CD2 3.96Å; Y667-K669 PolarHBondContact O-N 3.33Å; Y667-L670 PolarHBondContact O-N 2.88Å; Y667-V671 HydrophobicContact CD1-CG2 4.27Å; Y667-V671 HydrophobicContact CE1-CG2 3.77Å; Y667-V671 HydrophobicContact CE2-CG2 4.23Å; Y667-V671 WeakPolarHBondContact O-CG2 3.24Å; Y667-V671 PolarHBondContact O-N 3.48Å
668	E	90.3	Very high	85.6	Confident	120 Å²	120	57.2 Å²	57.2	56%	0.561	28%	0.278	S	S	*	.	H	α-helix	trans	-64.8	-40.5	-179.8	-54.2	80.3	-170.2	0	0	111.8	T666 L670 V671 N672	T666-E668 VanDerWaalsContact C-N 3.27Å; T666-E668 VanDerWaalsContact CB-OE2 3.24Å; T666-E668 WeakPolarHBondContact CB-OE2 3.48Å; T666-E668 PolarHBondContact O-N 2.83Å; T666-E668 PolarHBondContact OG1-OE2 3.17Å; E668-L670 VanDerWaalsContact C-N 3.32Å; E668-L670 PolarHBondContact O-N 2.88Å; E668-V671 PolarHBondContact O-N 3.48Å; E668-N672 WeakPolarHBondContact O-CB 3.36Å; E668-N672 VanDerWaalsContact O-CG 3.3Å; E668-N672 PolarHBondContact O-N 3.48Å; E668-N672 PolarHBondContact O-ND2 3.44Å
669	K	87.5	Confident	85.9	Confident	106 Å²	106	60.7 Å²	60.7	46%	0.461	29%	0.294	S	S	.	.	H	α-helix	trans	-61.4	-41.4	175.8	-74.9	-177.3	-178.5	175	0	111.6	D664 T666 Y667 Y673	D664-K669 PolarHBondContact O-NZ 3.29Å; T666-K669 PolarHBondContact O-N 3.37Å; T666-K669 PolarHBondContact OG1-N 2.98Å; Y667-K669 PolarHBondContact O-N 3.33Å; K669-Y673 VanDerWaalsContact O-CB 3.32Å; K669-Y673 WeakPolarHBondContact O-CB 3.41Å; K669-Y673 PolarHBondContact O-N 3.47Å
670	L	86.7	Confident	86.3	Confident	24 Å²	24	61.4 Å²	61.4	13%	0.126	30%	0.298	C	S	.	.	H	α-helix	trans	-64.5	-46.7	177	178.3	63.8	0	0	0	111.7	L582 P612 F617 I665 T666 Y667 E668 N672 Y673 I674	L582-L670 HydrophobicContact CD1-CD1 3.95Å; L582-L670 HydrophobicContact CD2-CD1 3.83Å; P612-L670 HydrophobicContact CG-CD2 4.27Å; F617-L670 HydrophobicContact CD2-CB 4.44Å; F617-L670 HydrophobicContact CD2-CD2 3.51Å; F617-L670 HydrophobicContact CE2-CB 4.18Å; F617-L670 HydrophobicContact CE2-CD2 3.95Å; I665-L670 HydrophobicContact CD1-CB 4.26Å; I665-L670 HydrophobicContact CD1-CD1 4.49Å; T666-L670 PolarHBondContact O-N 3.34Å; T666-L670 VanDerWaalsContact O-N 3.11Å; Y667-L670 PolarHBondContact O-N 2.88Å; E668-L670 VanDerWaalsContact C-N 3.32Å; E668-L670 PolarHBondContact O-N 2.88Å; L670-N672 VanDerWaalsContact C-N 3.31Å; L670-N672 PolarHBondContact O-N 3.01Å; L670-Y673 PolarHBondContact O-N 3.49Å; L670-I674 HydrophobicContact CD1-CD1 4.34Å; L670-I674 HydrophobicContact CD1-CG1 4.38Å; L670-I674 HydrophobicContact CG-CD1 4.13Å; L670-I674 WeakPolarHBondContact O-CG1 3.33Å; L670-I674 PolarHBondContact O-N 3.19Å
671	V	88.2	Confident	86.6	Confident	11 Å²	11	55.6 Å²	55.6	7%	0.067	27%	0.271	C	S	.	.	H	α-helix	trans	-61.8	-40.3	179.3	172.1	0	0	0	0	111.3	E611 Y667 E668 K675	E611-V671 HydrophobicContact CG-CG1 4.24Å; Y667-V671 HydrophobicContact CD1-CG2 4.27Å; Y667-V671 HydrophobicContact CE1-CG2 3.77Å; Y667-V671 HydrophobicContact CE2-CG2 4.23Å; Y667-V671 WeakPolarHBondContact O-CG2 3.24Å; Y667-V671 PolarHBondContact O-N 3.48Å; E668-V671 PolarHBondContact O-N 3.48Å; V671-K675 PolarHBondContact O-N 2.99Å
672	N	87.5	Confident	87	Confident	85 Å²	85	54.9 Å²	54.9	46%	0.455	27%	0.265	S	S	.	.	H	α-helix	trans	-66.3	-45.7	175.2	-70.9	-16.3	0	0	0	111.5	E668 L670 I674 K675 E676	E668-N672 WeakPolarHBondContact O-CB 3.36Å; E668-N672 VanDerWaalsContact O-CG 3.3Å; E668-N672 PolarHBondContact O-N 3.48Å; E668-N672 PolarHBondContact O-ND2 3.44Å; L670-N672 VanDerWaalsContact C-N 3.31Å; L670-N672 PolarHBondContact O-N 3.01Å; N672-I674 VanDerWaalsContact C-N 3.32Å; N672-I674 PolarHBondContact O-N 3.33Å; N672-K675 WeakPolarHBondContact O-CB 3.38Å; N672-K675 PolarHBondContact O-N 3.39Å; N672-K675 VanDerWaalsContact O-N 3.08Å; N672-E676 WeakPolarHBondContact O-CG 3.36Å; N672-E676 PolarHBondContact O-N 2.97Å
673	Y	85	Confident	87.4	Confident	11 Å²	11	54.2 Å²	54.2	4%	0.043	26%	0.261	C	S	.	.	H	α-helix	trans	-57.6	-42.6	176.9	173.8	-88.6	0	0	0	112.4	H579 L582 K669 L670 K675 E676 F677	H579-Y673 HydrophobicContact CB-CE2 3.62Å; H579-Y673 AromaticContact CD2-CD2 3.67Å; H579-Y673 AromaticContact CD2-CE2 3.28Å; H579-Y673 WeakPolarHBondContact CD2-CE2 3.46Å; H579-Y673 AromaticContact CE1-CD2 3.58Å; H579-Y673 AromaticContact CE1-CE2 3.9Å; H579-Y673 AromaticContact CG-CD2 3.77Å; H579-Y673 AromaticContact CG-CE2 3.25Å; H579-Y673 AromaticContact ND1-CD2 3.72Å; H579-Y673 AromaticContact ND1-CE2 3.66Å; H579-Y673 AromaticContact NE2-CD2 3.54Å; H579-Y673 AromaticContact NE2-CE2 3.69Å; H579-Y673 PolarHBondContact O-OH 3.02Å; L582-Y673 HydrophobicContact CB-CD1 4.08Å; L582-Y673 HydrophobicContact CB-CE1 3.24Å; L582-Y673 HydrophobicContact CD1-CD1 3.21Å; L582-Y673 HydrophobicContact CD1-CD2 4.3Å; L582-Y673 HydrophobicContact CD1-CE1 3.27Å; L582-Y673 HydrophobicContact CD1-CE2 4.32Å; L582-Y673 HydrophobicContact CD1-CG 3.74Å; L582-Y673 HydrophobicContact CG-CD1 4.19Å; L582-Y673 HydrophobicContact CG-CE1 3.83Å; K669-Y673 VanDerWaalsContact O-CB 3.32Å; K669-Y673 WeakPolarHBondContact O-CB 3.41Å; K669-Y673 PolarHBondContact O-N 3.47Å; L670-Y673 PolarHBondContact O-N 3.49Å; Y673-K675 PolarHBondContact O-N 3.02Å; Y673-E676 PolarHBondContact O-N 2.65Å; Y673-F677 HydrophobicContact CD1-CB 4.43Å; Y673-F677 HydrophobicContact CE1-CB 3.97Å; Y673-F677 HydrophobicContact CE1-CD2 4.08Å; Y673-F677 HydrophobicContact CE1-CG 4.28Å; Y673-F677 AromaticContact CZ-CD2 3.82Å; Y673-F677 VanDerWaalsContact O-CB 3.29Å; Y673-F677 WeakPolarHBondContact O-CB 3.32Å; Y673-F677 PolarHBondContact O-N 2.93Å; Y673-F677 VanDerWaalsContact OH-CD2 3.31Å; Y673-F677 WeakPolarHBondContact OH-CD2 3.06Å
674	I	84.1	Confident	87.9	Confident	31 Å²	31	47.5 Å²	47.5	16%	0.159	23%	0.23	C	C	.	.	H	α-helix	trans	-57.2	-41.2	178	-69.9	165.5	0	0	0	110.4	P612 L670 N672 F678 F711	P612-I674 HydrophobicContact CG-CD1 4.21Å; L670-I674 HydrophobicContact CD1-CD1 4.34Å; L670-I674 HydrophobicContact CD1-CG1 4.38Å; L670-I674 HydrophobicContact CG-CD1 4.13Å; L670-I674 WeakPolarHBondContact O-CG1 3.33Å; L670-I674 PolarHBondContact O-N 3.19Å; N672-I674 VanDerWaalsContact C-N 3.32Å; N672-I674 PolarHBondContact O-N 3.33Å; I674-F678 HydrophobicContact CG2-CD2 4.29Å; I674-F678 HydrophobicContact CG2-CE2 4.27Å; I674-F678 VanDerWaalsContact O-CD2 3.24Å; I674-F678 WeakPolarHBondContact O-CD2 3.27Å; I674-F678 PolarHBondContact O-N 3.3Å; I674-F711 HydrophobicContact CG2-CE1 4.33Å; I674-F711 HydrophobicContact CG2-CZ 4.43Å
675	K	83.8	Confident	88.3	Confident	102 Å²	102	42.8 Å²	42.8	44%	0.443	21%	0.205	S	C	.	.	H	α-helix	trans	-67.7	-46.3	177.9	-64.9	171.8	-176.4	173	0	111.5	V671 N672 Y673 F677 F678 E679	V671-K675 PolarHBondContact O-N 2.99Å; N672-K675 WeakPolarHBondContact O-CB 3.38Å; N672-K675 PolarHBondContact O-N 3.39Å; N672-K675 VanDerWaalsContact O-N 3.08Å; Y673-K675 PolarHBondContact O-N 3.02Å; K675-F677 VanDerWaalsContact C-N 3.34Å; K675-F677 PolarHBondContact O-N 3.26Å; K675-F678 PolarHBondContact O-N 2.84Å; K675-E679 PolarHBondContact O-N 3.38Å
676	E	86.2	Confident	88.9	Confident	107 Å²	107	42.4 Å²	42.4	50%	0.5	20%	0.202	S	C	.	.	H	α-helix	trans	-62.8	-39.6	178.2	-70.2	173.8	-170.5	0	0	112.1	N672 Y673 F678 E679	N672-E676 WeakPolarHBondContact O-CG 3.36Å; N672-E676 PolarHBondContact O-N 2.97Å; Y673-E676 PolarHBondContact O-N 2.65Å; E676-F678 VanDerWaalsContact C-N 3.32Å; E676-F678 PolarHBondContact O-N 3.48Å; E676-E679 PolarHBondContact O-N 2.84Å
677	F	85.9	Confident	89.2	Confident	6 Å²	6	39.8 Å²	39.8	3%	0.026	19%	0.187	C	C	.	.	H	α-helix	trans	-57.7	-44.8	-179.9	180	-91.2	0	0	0	111.7	I568 S570 S572 Y673 K675 I681	I568-F677 HydrophobicContact CB-CE1 4.48Å; I568-F677 HydrophobicContact CG2-CE1 4.03Å; I568-F677 HydrophobicContact CG2-CZ 4.44Å; S570-F677 VanDerWaalsContact CB-O 3.24Å; S570-F677 WeakPolarHBondContact CB-O 3.36Å; S570-F677 PolarHBondContact OG-O 3.29Å; S572-F677 WeakPolarHBondContact OG-CD2 3.15Å; Y673-F677 HydrophobicContact CD1-CB 4.43Å; Y673-F677 HydrophobicContact CE1-CB 3.97Å; Y673-F677 HydrophobicContact CE1-CD2 4.08Å; Y673-F677 HydrophobicContact CE1-CG 4.28Å; Y673-F677 AromaticContact CZ-CD2 3.82Å; Y673-F677 VanDerWaalsContact O-CB 3.29Å; Y673-F677 WeakPolarHBondContact O-CB 3.32Å; Y673-F677 PolarHBondContact O-N 2.93Å; Y673-F677 VanDerWaalsContact OH-CD2 3.31Å; Y673-F677 WeakPolarHBondContact OH-CD2 3.06Å; K675-F677 VanDerWaalsContact C-N 3.34Å; K675-F677 PolarHBondContact O-N 3.26Å; F677-I681 WeakPolarHBondContact O-CG2 3.28Å
678	F	87.2	Confident	89.5	Confident	13 Å²	13	37.3 Å²	37.3	6%	0.057	18%	0.177	C	C	.	.	H	α-helix	trans	-86.1	-4.3	-178.1	-69.7	-65.5	0	0	0	114.4	I568 L606 I674 K675 E676 I681 L707 F711 S713	I568-F678 HydrophobicContact CD1-CE1 4.03Å; I568-F678 HydrophobicContact CG2-CE1 4.44Å; L606-F678 HydrophobicContact CD2-CZ 4.48Å; I674-F678 HydrophobicContact CG2-CD2 4.29Å; I674-F678 HydrophobicContact CG2-CE2 4.27Å; I674-F678 VanDerWaalsContact O-CD2 3.24Å; I674-F678 WeakPolarHBondContact O-CD2 3.27Å; I674-F678 PolarHBondContact O-N 3.3Å; K675-F678 PolarHBondContact O-N 2.84Å; E676-F678 VanDerWaalsContact C-N 3.32Å; E676-F678 PolarHBondContact O-N 3.48Å; F678-I681 HydrophobicContact CD1-CG2 4.48Å; F678-L707 HydrophobicContact CD1-CD2 3.69Å; F678-L707 HydrophobicContact CE1-CD2 3.66Å; F678-L707 HydrophobicContact CG-CD2 4.44Å; F678-L707 HydrophobicContact CZ-CD2 4.4Å; F678-F711 HydrophobicContact CB-CB 3.74Å; F678-F711 HydrophobicContact CB-CD1 3.91Å; F678-F711 HydrophobicContact CB-CD2 3.61Å; F678-F711 HydrophobicContact CB-CE1 4.39Å; F678-F711 HydrophobicContact CB-CE2 4.13Å; F678-F711 HydrophobicContact CB-CG 3.48Å; F678-F711 VanDerWaalsContact CB-CG 3.48Å; F678-F711 HydrophobicContact CB-CZ 4.49Å; F678-F711 HydrophobicContact CD1-CD2 4.47Å; F678-F711 HydrophobicContact CD2-CD1 4.28Å; F678-F711 AromaticContact CD2-CD2 3.95Å; F678-F711 HydrophobicContact CD2-CD2 3.95Å; F678-F711 AromaticContact CD2-CE1 3.89Å; F678-F711 HydrophobicContact CD2-CE1 3.89Å; F678-F711 AromaticContact CD2-CE2 3.53Å; F678-F711 HydrophobicContact CD2-CE2 3.53Å; F678-F711 HydrophobicContact CD2-CG 4.3Å; F678-F711 AromaticContact CD2-CZ 3.5Å; F678-F711 HydrophobicContact CD2-CZ 3.5Å; F678-F711 VanDerWaalsContact CD2-CZ 3.5Å; F678-F711 HydrophobicContact CE2-CE2 4.04Å; F678-F711 AromaticContact CE2-CZ 4Å; F678-F711 HydrophobicContact CE2-CZ 4Å; F678-F711 HydrophobicContact CG-CD1 4.47Å; F678-F711 AromaticContact CG-CD2 3.77Å; F678-F711 HydrophobicContact CG-CD2 3.77Å; F678-F711 AromaticContact CG-CE2 3.82Å; F678-F711 HydrophobicContact CG-CE2 3.82Å; F678-F711 HydrophobicContact CG-CG 4.11Å; F678-F711 HydrophobicContact CG-CZ 4.19Å; F678-S713 WeakPolarHBondContact O-CA 3.28Å; F678-S713 VanDerWaalsContact O-CB 3.31Å; F678-S713 WeakPolarHBondContact O-CB 2.96Å; F678-S713 PolarHBondContact O-OG 3.3Å
679	E	88.2	Confident	89.6	Confident	101 Å²	101	31.6 Å²	31.6	47%	0.472	15%	0.15	S	C	.	.	H	α-helix	trans	-66.9	-46.8	-179.1	-172.1	-179.3	174.4	0	0	112.4	K675 E676 K714	K675-E679 PolarHBondContact O-N 3.38Å; E676-E679 PolarHBondContact O-N 2.84Å; E679-K714 PolarHBondContact O-N 3.23Å
680	L	90.7	Very high	89.9	Confident	61 Å²	61	27.1 Å²	27.1	32%	0.319	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	106.2	-179.6	-69	172.6	0	0	0	110	L571 K714 L716	L571-L680 HydrophobicContact CD1-CD1 3.91Å; L680-K714 WeakPolarHBondContact CA-O 3.36Å; L680-K714 HydrophobicContact CD2-CB 3.87Å; L680-L716 HydrophobicContact CB-CD1 4.43Å
681	I	90.5	Very high	90.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	155	-172.1	64.3	174.7	0	0	0	113.8	M546 I568 V569 F677 F678 I683 L707 K714 L716	M546-I681 HydrophobicContact CE-CD1 3.79Å; M546-I681 HydrophobicContact CE-CG1 3.64Å; I568-I681 HydrophobicContact CG2-CB 3.87Å; I568-I681 HydrophobicContact CG2-CD1 4.25Å; I568-I681 HydrophobicContact CG2-CG2 3.77Å; V569-I681 CarbonylContact O-C 3.53Å; V569-I681 VanDerWaalsContact O-CA 3.25Å; V569-I681 WeakPolarHBondContact O-CA 3.21Å; F677-I681 WeakPolarHBondContact O-CG2 3.28Å; F678-I681 HydrophobicContact CD1-CG2 4.48Å; I681-I683 HydrophobicContact CD1-CD1 4.31Å; I681-I683 HydrophobicContact CD1-CG1 4.31Å; I681-L707 HydrophobicContact CD1-CB 4.46Å; I681-L707 HydrophobicContact CD1-CD1 4.03Å; I681-K714 PolarHBondContact N-O 3.41Å; I681-L716 PolarHBondContact O-N 2.86Å
682	F	91.8	Very high	90.3	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.018	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	131.7	163.9	179.5	-99.5	0	0	0	110.1	M546 R548 V569 E684 L716 L718 I721	M546-F682 CarbonylContact O-C 3.43Å; M546-F682 VanDerWaalsContact O-CA 3.26Å; M546-F682 WeakPolarHBondContact O-CA 3.23Å; M546-F682 WeakPolarHBondContact O-CD2 3.46Å; R548-F682 HydrophobicContact CB-CE1 4.3Å; R548-F682 HydrophobicContact CB-CZ 3.69Å; V569-F682 HydrophobicContact CB-CB 4.3Å; V569-F682 PolarHBondContact N-O 3.5Å; V569-F682 PolarHBondContact O-N 3.1Å; F682-E684 HydrophobicContact CD1-CB 4.41Å; F682-E684 HydrophobicContact CE1-CB 3.97Å; F682-L716 HydrophobicContact CB-CB 4.21Å; F682-L718 HydrophobicContact CD2-CD2 4.44Å; F682-L718 HydrophobicContact CE2-CD2 4.06Å; F682-I721 HydrophobicContact CB-CD1 3.83Å; F682-I721 HydrophobicContact CB-CG1 4.46Å; F682-I721 HydrophobicContact CD1-CD1 3.64Å; F682-I721 HydrophobicContact CD2-CD1 3.61Å; F682-I721 HydrophobicContact CE1-CD1 4Å; F682-I721 HydrophobicContact CE2-CD1 3.99Å; F682-I721 HydrophobicContact CG-CD1 3.41Å; F682-I721 VanDerWaalsContact CG-CD1 3.41Å; F682-I721 HydrophobicContact CG-CG1 4.47Å; F682-I721 HydrophobicContact CZ-CD1 4.15Å
683	I	91.8	Very high	90.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	110.4	-177.3	-52.6	176.6	0	0	0	109.8	M546 S547 R548 I549 F566 I681 L707	M546-I683 PolarHBondContact O-N 3.02Å; S547-I683 CarbonylContact C-O 3.5Å; S547-I683 WeakPolarHBondContact CA-O 3.36Å; R548-I683 PolarHBondContact N-O 2.85Å; I549-I683 HydrophobicContact CD1-CG2 4.12Å; F566-I683 HydrophobicContact CB-CG2 4.26Å; F566-I683 HydrophobicContact CD1-CG2 4Å; F566-I683 HydrophobicContact CG-CG2 4.45Å; I681-I683 HydrophobicContact CD1-CD1 4.31Å; I681-I683 HydrophobicContact CD1-CG1 4.31Å; I683-L707 HydrophobicContact CD1-CD1 4.09Å
684	E	92.7	Very high	90.9	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.009	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	126.6	171.4	-167.5	161	-153.7	0	0	109.8	R548 H567 F682 I869 R872 Y874	R548-E684 HydrophobicContact CB-CG 4.49Å; R548-E684 CarbonylContact O-C 3.52Å; R548-E684 VanDerWaalsContact O-CA 3.3Å; R548-E684 WeakPolarHBondContact O-CA 3.18Å; H567-E684 WeakPolarHBondContact CB-O 3.26Å; H567-E684 PolarHBondContact N-O 2.86Å; H567-E684 PolarHBondContact O-N 2.78Å; F682-E684 HydrophobicContact CD1-CB 4.41Å; F682-E684 HydrophobicContact CE1-CB 3.97Å; E684-I869 HydrophobicContact CG-CG2 3.81Å; E684-R872 IonicContact OE2-NE 3.7Å; E684-R872 PolarHBondContact OE2-NE 3.38Å; E684-R872 IonicContact OE2-NH2 3.87Å; E684-Y874 PolarHBondContact OE1-OH 2.83Å
685	G	94.3	Very high	91.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	159.9	-171.9	0	0	0	0	0	115.6	R548 W550 K565	R548-G685 PolarHBondContact O-N 3.22Å; W550-G685 PolarHBondContact N-O 3.47Å; K565-G685 CarbonylContact O-C 3.57Å; K565-G685 WeakPolarHBondContact O-CA 3.43Å
686	L	96.4	Very high	91.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	126.1	172.8	176.1	62.1	0	0	0	109.3	W550 I564 K565 F862 L865 W866 I869	W550-L686 HydrophobicContact CB-CD1 3.9Å; W550-L686 WeakPolarHBondContact O-CA 2.96Å; I564-L686 WeakPolarHBondContact CA-O 3.37Å; K565-L686 PolarHBondContact N-O 3.43Å; K565-L686 PolarHBondContact O-N 2.89Å; L686-F862 HydrophobicContact CB-CE2 4.21Å; L686-F862 HydrophobicContact CD2-CD2 3.73Å; L686-F862 HydrophobicContact CD2-CE2 3.55Å; L686-F862 HydrophobicContact CD2-CZ 4.24Å; L686-F862 HydrophobicContact CG-CD2 4.27Å; L686-F862 HydrophobicContact CG-CE2 3.77Å; L686-L865 HydrophobicContact CD2-CB 3.8Å; L686-W866 HydrophobicContact CB-CE3 3.61Å; L686-W866 HydrophobicContact CB-CZ3 3.85Å; L686-W866 HydrophobicContact CD2-CB 4.28Å; L686-W866 HydrophobicContact CD2-CE3 4.33Å; L686-I869 HydrophobicContact CB-CD1 3.91Å; L686-I869 HydrophobicContact CD1-CD1 3.94Å; L686-I869 HydrophobicContact CD2-CD1 4.1Å; L686-I869 HydrophobicContact CG-CD1 4.19Å
687	I	95.9	Very high	92.2	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	117.9	173.2	-59.7	177.1	0	0	0	107.7	I549 W550 Y551 F552 F563 I564 F566 I691 A696	I549-I687 HydrophobicContact CG2-CD1 4.14Å; I549-I687 HydrophobicContact CG2-CG1 4.43Å; W550-I687 PolarHBondContact O-N 3.48Å; Y551-I687 CarbonylContact C-O 3.56Å; Y551-I687 WeakPolarHBondContact CA-O 3.09Å; Y551-I687 HydrophobicContact CD2-CB 4.46Å; Y551-I687 HydrophobicContact CD2-CG2 4.3Å; F552-I687 PolarHBondContact N-O 2.97Å; F563-I687 WeakPolarHBondContact O-CA 3.18Å; I564-I687 HydrophobicContact CG1-CG1 4.36Å; I564-I687 HydrophobicContact CG1-CG2 4.21Å; I564-I687 HydrophobicContact CG2-CG1 4.18Å; F566-I687 HydrophobicContact CE1-CD1 4.42Å; F566-I687 HydrophobicContact CZ-CD1 4.14Å; I687-I691 HydrophobicContact CG2-CB 4.37Å; I687-I691 HydrophobicContact CG2-CD1 3.83Å; I687-I691 HydrophobicContact CG2-CG2 4.03Å; I687-A696 HydrophobicContact CB-CB 4.24Å; I687-A696 HydrophobicContact CD1-CB 3.83Å; I687-A696 VanDerWaalsContact CD1-O 3.24Å; I687-A696 WeakPolarHBondContact CD1-O 3.22Å; I687-A696 HydrophobicContact CG2-CB 3.83Å
688	Y	94.6	Very high	92.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	137.2	-174.6	166.7	-113.1	0	0	0	111.6	F552 D554 F557 G562 F563 M858 R861 F862	F552-Y688 HydrophobicContact CB-CD2 4.04Å; F552-Y688 AromaticContact CD1-CD2 3.55Å; F552-Y688 HydrophobicContact CD1-CD2 3.55Å; F552-Y688 AromaticContact CD1-CE2 3.66Å; F552-Y688 HydrophobicContact CD1-CE2 3.66Å; F552-Y688 HydrophobicContact CE1-CD2 4.46Å; F552-Y688 HydrophobicContact CE1-CE2 4.14Å; F552-Y688 HydrophobicContact CG-CD2 4.2Å; F552-Y688 WeakPolarHBondContact O-CA 3.09Å; F552-Y688 VanDerWaalsContact O-CD2 3.26Å; F552-Y688 WeakPolarHBondContact O-CD2 3.39Å; D554-Y688 HydrophobicContact CB-CE2 3.91Å; D554-Y688 PolarHBondContact OD1-OH 3.22Å; D554-Y688 VanDerWaalsContact OD1-OH 3.1Å; F557-Y688 WeakPolarHBondContact CD2-OH 3.43Å; F557-Y688 WeakPolarHBondContact CE2-OH 3.21Å; G562-Y688 CarbonylContact C-O 3.11Å; G562-Y688 WeakPolarHBondContact CA-O 2.98Å; F563-Y688 HydrophobicContact CB-CD1 4.34Å; F563-Y688 HydrophobicContact CD2-CD1 4.1Å; F563-Y688 HydrophobicContact CD2-CE1 4.43Å; F563-Y688 PolarHBondContact N-O 2.87Å; F563-Y688 PolarHBondContact O-N 3.42Å; Y688-M858 HydrophobicContact CE1-CB 3.91Å; Y688-M858 HydrophobicContact CE1-CE 4.04Å; Y688-M858 HydrophobicContact CE1-CG 4.38Å; Y688-M858 WeakPolarHBondContact CE1-O 3.49Å; Y688-R861 HydrophobicContact CE1-CB 4.24Å; Y688-R861 HydrophobicContact CE1-CG 4.25Å; Y688-R861 HydrophobicContact CE2-CG 4.25Å; Y688-F862 HydrophobicContact CD1-CB 3.97Å; Y688-F862 HydrophobicContact CD1-CD2 4.03Å; Y688-F862 HydrophobicContact CE1-CB 4.41Å; Y688-F862 HydrophobicContact CG-CD2 4.39Å
689	G	93.7	Very high	92.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	130.5	-152.3	172	0	0	0	0	0	114.8	F552 D554 I691	F552-G689 PolarHBondContact O-N 2.82Å; F552-G689 VanDerWaalsContact O-N 3.16Å; D554-G689 PolarHBondContact N-O 3.39Å; G689-I691 PolarHBondContact O-N 2.8Å
690	N	92.9	Very high	93.2	Very high	12 Å²	12	21.8 Å²	21.8	6%	0.064	12%	0.117	C	C	.	.	S	Bend	trans	-77.3	53.6	176.5	-173.9	47.4	0	0	0	112.5	D525 L526 V527 L559 K561 T592	D525-N690 PolarHBondContact O-ND2 3.03Å; L526-N690 WeakPolarHBondContact CA-OD1 3.33Å; V527-N690 WeakPolarHBondContact CB-OD1 3.45Å; V527-N690 WeakPolarHBondContact CG2-OD1 3.18Å; V527-N690 PolarHBondContact N-OD1 3.23Å; L559-N690 VanDerWaalsContact O-CB 3.3Å; L559-N690 WeakPolarHBondContact O-CB 3.46Å; K561-N690 WeakPolarHBondContact O-CB 3.47Å; K561-N690 PolarHBondContact O-N 3.38Å; T592-N690 HydrophobicContact CG2-CB 4.03Å; T592-N690 VanDerWaalsContact CG2-O 3.3Å; T592-N690 WeakPolarHBondContact CG2-O 2.95Å; T592-N690 PolarHBondContact OG1-ND2 3.43Å
691	I	92.4	Very high	93.4	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.015	12%	0.118	C	C	.	.			trans	-125.2	133.5	-175.9	-62.3	176.1	0	0	0	106.9	Y551 I564 T592 L595 I687 G689 D695 A696 Y699	Y551-I691 WeakPolarHBondContact CE2-O 3.4Å; Y551-I691 PolarHBondContact OH-O 2.82Å; I564-I691 HydrophobicContact CD1-CD1 4.14Å; I564-I691 HydrophobicContact CG1-CD1 4.03Å; T592-I691 HydrophobicContact CG2-CG1 3.94Å; L595-I691 HydrophobicContact CD2-CD1 4.26Å; I687-I691 HydrophobicContact CG2-CB 4.37Å; I687-I691 HydrophobicContact CG2-CD1 3.83Å; I687-I691 HydrophobicContact CG2-CG2 4.03Å; G689-I691 PolarHBondContact O-N 2.8Å; I691-D695 HydrophobicContact CG2-CB 3.65Å; I691-A696 HydrophobicContact CG2-CB 4.33Å; I691-Y699 HydrophobicContact CD1-CE2 4.19Å; I691-Y699 HydrophobicContact CG2-CD2 4.25Å; I691-Y699 HydrophobicContact CG2-CE2 4.02Å
692	T	91.4	Very high	93.5	Very high	42 Å²	42	23.8 Å²	23.8	26%	0.258	13%	0.125	S	C	.	.			trans	-71.6	159.3	173.8	67.4	0	0	0	0	110.8	V527 V694 D695 A696	V527-T692 HydrophobicContact CB-CG2 4.38Å; V527-T692 HydrophobicContact CG1-CG2 3.3Å; V527-T692 HydrophobicContact CG2-CG2 4.12Å; T692-V694 PolarHBondContact O-N 3.22Å; T692-D695 PolarHBondContact O-N 3.14Å; T692-D695 WeakPolarHBondContact OG1-CB 3.29Å; T692-D695 PolarHBondContact OG1-N 3.48Å; T692-D695 PolarHBondContact OG1-OD2 3.46Å; T692-A696 PolarHBondContact O-N 3.01Å
693	E	92	Very high	93.4	Very high	57 Å²	57	23.9 Å²	23.9	27%	0.266	13%	0.127	S	C	.	.	H	α-helix	trans	-56.8	-40.3	170.6	-179.6	-179.3	-164.2	0	0	112.2	K530 L541 Y551 D695 A696 I697	K530-E693 VanDerWaalsContact CD-OE2 3.26Å; K530-E693 WeakPolarHBondContact CD-OE2 3.42Å; K530-E693 WeakPolarHBondContact CE-OE2 3.41Å; K530-E693 IonicContact NZ-OE1 2.78Å; K530-E693 PolarHBondContact NZ-OE1 3.41Å; K530-E693 IonicContact NZ-OE2 2.79Å; K530-E693 PolarHBondContact NZ-OE2 3.37Å; L541-E693 HydrophobicContact CD1-CG 3.55Å; L541-E693 VanDerWaalsContact CD1-OE1 3.32Å; L541-E693 WeakPolarHBondContact CD1-OE1 3.27Å; L541-E693 HydrophobicContact CD2-CG 4.15Å; Y551-E693 HydrophobicContact CE1-CB 4.19Å; Y551-E693 PolarHBondContact OH-N 3.45Å; E693-D695 PolarHBondContact O-N 2.89Å; E693-A696 WeakPolarHBondContact O-CB 2.76Å; E693-A696 PolarHBondContact O-N 3.38Å; E693-I697 WeakPolarHBondContact O-CG1 3.38Å; E693-I697 PolarHBondContact O-N 3.26Å
694	V	92.6	Very high	93.5	Very high	94 Å²	94	26.6 Å²	26.6	57%	0.57	14%	0.137	S	C	*	.	H	α-helix	trans	-62.4	-44.1	177.5	178	0	0	0	0	110.7	T692 A696 I697 N698	T692-V694 PolarHBondContact O-N 3.22Å; V694-A696 VanDerWaalsContact C-N 3.34Å; V694-I697 PolarHBondContact O-N 3.13Å; V694-N698 PolarHBondContact O-N 3.27Å; V694-N698 PolarHBondContact O-ND2 3.41Å; V694-N698 VanDerWaalsContact O-ND2 3.13Å
695	D	92.6	Very high	93.5	Very high	56 Å²	56	30 Å²	30	30%	0.299	16%	0.155	S	C	.	.	H	α-helix	trans	-65.3	-38.5	175.5	-67.8	-44.8	0	0	0	111.9	I691 T692 E693 I697 N698 Y699	I691-D695 HydrophobicContact CG2-CB 3.65Å; T692-D695 PolarHBondContact O-N 3.14Å; T692-D695 WeakPolarHBondContact OG1-CB 3.29Å; T692-D695 PolarHBondContact OG1-N 3.48Å; T692-D695 PolarHBondContact OG1-OD2 3.46Å; E693-D695 PolarHBondContact O-N 2.89Å; D695-I697 VanDerWaalsContact C-N 3.35Å; D695-I697 PolarHBondContact O-N 3.06Å; D695-N698 WeakPolarHBondContact O-CB 3.38Å; D695-N698 PolarHBondContact O-N 3.41Å; D695-Y699 HydrophobicContact CB-CE2 4.34Å; D695-Y699 WeakPolarHBondContact O-CD2 3.38Å; D695-Y699 PolarHBondContact O-N 2.75Å
696	A	94	Very high	93.3	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-60.1	-44	176	0	0	0	0	0	111.8	L541 Y551 I687 I691 T692 E693 V694 Y699 Y700	L541-A696 HydrophobicContact CD2-CB 3.82Å; Y551-A696 HydrophobicContact CD2-CB 3.54Å; Y551-A696 HydrophobicContact CE2-CB 3.94Å; Y551-A696 HydrophobicContact CG-CB 4.36Å; I687-A696 HydrophobicContact CB-CB 4.24Å; I687-A696 HydrophobicContact CD1-CB 3.83Å; I687-A696 VanDerWaalsContact CD1-O 3.24Å; I687-A696 WeakPolarHBondContact CD1-O 3.22Å; I687-A696 HydrophobicContact CG2-CB 3.83Å; I691-A696 HydrophobicContact CG2-CB 4.33Å; T692-A696 PolarHBondContact O-N 3.01Å; E693-A696 WeakPolarHBondContact O-CB 2.76Å; E693-A696 PolarHBondContact O-N 3.38Å; V694-A696 VanDerWaalsContact C-N 3.34Å; A696-Y699 PolarHBondContact O-N 2.98Å; A696-Y700 PolarHBondContact O-N 3.33Å
697	I	95.2	Very high	92.9	Very high	53 Å²	53	32 Å²	32	27%	0.272	17%	0.165	S	C	.	.	H	α-helix	trans	-60.1	-49.6	172	-64.6	169.8	0	0	0	109.8	L541 I542 E693 V694 D695 Y699 Y700 E701	L541-I697 HydrophobicContact CD1-CD1 4.44Å; L541-I697 HydrophobicContact CD1-CG1 4.45Å; L541-I697 HydrophobicContact CD2-CG1 3.91Å; L541-I697 HydrophobicContact CG-CG1 4.19Å; I542-I697 HydrophobicContact CD1-CG1 4.5Å; E693-I697 WeakPolarHBondContact O-CG1 3.38Å; E693-I697 PolarHBondContact O-N 3.26Å; V694-I697 PolarHBondContact O-N 3.13Å; D695-I697 VanDerWaalsContact C-N 3.35Å; D695-I697 PolarHBondContact O-N 3.06Å; I697-Y699 VanDerWaalsContact C-N 3.31Å; I697-Y699 PolarHBondContact O-N 2.82Å; I697-Y700 WeakPolarHBondContact O-CB 3.38Å; I697-Y700 PolarHBondContact O-N 3.04Å; I697-Y700 VanDerWaalsContact O-N 3.11Å; I697-E701 HydrophobicContact CG2-CG 3.98Å; I697-E701 WeakPolarHBondContact O-CG 3.12Å; I697-E701 PolarHBondContact O-N 2.76Å
698	N	94.5	Very high	92.7	Very high	57 Å²	57	35.2 Å²	35.2	31%	0.305	18%	0.182	S	C	.	.	H	α-helix	trans	-57.7	-39.9	179.9	-69	-34.1	0	0	0	113	V694 D695 M702	V694-N698 PolarHBondContact O-N 3.27Å; V694-N698 PolarHBondContact O-ND2 3.41Å; V694-N698 VanDerWaalsContact O-ND2 3.13Å; D695-N698 WeakPolarHBondContact O-CB 3.38Å; D695-N698 PolarHBondContact O-N 3.41Å; N698-M702 VanDerWaalsContact O-CB 3.23Å; N698-M702 WeakPolarHBondContact O-CB 3.45Å; N698-M702 PolarHBondContact O-N 3.26Å
699	Y	93.7	Very high	92.6	Very high	11 Å²	11	42.9 Å²	42.9	4%	0.043	22%	0.218	C	C	.	.	H	α-helix	trans	-62.2	-46.5	176	-82	-67.8	0	0	0	111.7	I564 K596 V599 I691 D695 A696 I697 M702 V703	I564-Y699 HydrophobicContact CD1-CD1 3.6Å; I564-Y699 HydrophobicContact CD1-CD2 3.77Å; I564-Y699 HydrophobicContact CD1-CE1 3.53Å; I564-Y699 HydrophobicContact CD1-CE2 3.79Å; I564-Y699 HydrophobicContact CD1-CG 3.72Å; K596-Y699 WeakPolarHBondContact CA-OH 3.47Å; K596-Y699 HydrophobicContact CB-CE1 4.13Å; K596-Y699 HydrophobicContact CG-CE1 4.33Å; K596-Y699 PolarHBondContact N-OH 2.88Å; V599-Y699 HydrophobicContact CB-CD1 4.37Å; V599-Y699 HydrophobicContact CB-CE1 4.15Å; V599-Y699 HydrophobicContact CG1-CD1 4.27Å; V599-Y699 HydrophobicContact CG2-CD1 4.46Å; V599-Y699 HydrophobicContact CG2-CE1 4.04Å; I691-Y699 HydrophobicContact CD1-CE2 4.19Å; I691-Y699 HydrophobicContact CG2-CD2 4.25Å; I691-Y699 HydrophobicContact CG2-CE2 4.02Å; D695-Y699 HydrophobicContact CB-CE2 4.34Å; D695-Y699 WeakPolarHBondContact O-CD2 3.38Å; D695-Y699 PolarHBondContact O-N 2.75Å; A696-Y699 PolarHBondContact O-N 2.98Å; I697-Y699 VanDerWaalsContact C-N 3.31Å; I697-Y699 PolarHBondContact O-N 2.82Å; Y699-M702 HydrophobicContact CD1-CE 4.22Å; Y699-V703 WeakPolarHBondContact O-CG2 3.25Å; Y699-V703 PolarHBondContact O-N 3.12Å
700	Y	94.3	Very high	92.4	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.016	24%	0.237	C	C	.	.	H	α-helix	trans	-63.1	-50.5	177.4	161.1	-104.7	0	0	0	111.7	I542 S547 I549 A696 I697 M702 V703 R704	I542-Y700 HydrophobicContact CD1-CD1 3.1Å; I542-Y700 HydrophobicContact CD1-CE1 3.52Å; I542-Y700 HydrophobicContact CD1-CG 3.71Å; I542-Y700 HydrophobicContact CG1-CD1 4.49Å; I542-Y700 HydrophobicContact CG2-CE1 3.98Å; S547-Y700 WeakPolarHBondContact CB-OH 3.23Å; S547-Y700 VanDerWaalsContact OG-CE2 3.23Å; S547-Y700 WeakPolarHBondContact OG-CE2 3.48Å; S547-Y700 PolarHBondContact OG-OH 3.43Å; I549-Y700 HydrophobicContact CD1-CD2 3.67Å; I549-Y700 HydrophobicContact CD1-CE2 4.09Å; I549-Y700 HydrophobicContact CD1-CG 4.45Å; I549-Y700 HydrophobicContact CG1-CD2 3.53Å; I549-Y700 HydrophobicContact CG1-CE2 3.94Å; I549-Y700 HydrophobicContact CG1-CG 3.9Å; A696-Y700 PolarHBondContact O-N 3.33Å; I697-Y700 WeakPolarHBondContact O-CB 3.38Å; I697-Y700 PolarHBondContact O-N 3.04Å; I697-Y700 VanDerWaalsContact O-N 3.11Å; Y700-M702 VanDerWaalsContact C-N 3.31Å; Y700-M702 PolarHBondContact O-N 3.03Å; Y700-V703 PolarHBondContact O-N 3.35Å; Y700-V703 VanDerWaalsContact O-N 3.15Å; Y700-R704 HydrophobicContact CE2-CB 4.17Å; Y700-R704 WeakPolarHBondContact O-CB 3.26Å; Y700-R704 PolarHBondContact O-N 3.47Å
701	E	94.8	Very high	92.2	Very high	71 Å²	71	48 Å²	48	33%	0.332	24%	0.24	S	C	.	.	H	α-helix	trans	-60.1	-43.3	-178	-69.1	-168.2	136.1	0	0	111.2	I697 V703 R704 D705	I697-E701 HydrophobicContact CG2-CG 3.98Å; I697-E701 WeakPolarHBondContact O-CG 3.12Å; I697-E701 PolarHBondContact O-N 2.76Å; E701-V703 PolarHBondContact O-N 3.42Å; E701-R704 PolarHBondContact O-N 3.49Å; E701-R704 IonicContact OE1-NH1 3.25Å; E701-R704 IonicContact OE1-NH2 2.85Å; E701-D705 WeakPolarHBondContact O-CB 3.46Å; E701-D705 PolarHBondContact O-N 3.07Å
702	M	92.6	Very high	92.1	Very high	32 Å²	32	52 Å²	52	16%	0.158	27%	0.268	C	S	.	.	H	α-helix	trans	-56	-47.3	174.4	178.1	-173.7	68.3	0	0	112.6	V599 Q600 N698 Y699 Y700 L706	V599-M702 HydrophobicContact CB-CE 4.1Å; V599-M702 HydrophobicContact CG1-CE 3.51Å; Q600-M702 HydrophobicContact CB-CE 4.32Å; Q600-M702 HydrophobicContact CB-SD 3.51Å; Q600-M702 VanDerWaalsContact CB-SD 3.51Å; Q600-M702 HydrophobicContact CG-SD 3.7Å; N698-M702 VanDerWaalsContact O-CB 3.23Å; N698-M702 WeakPolarHBondContact O-CB 3.45Å; N698-M702 PolarHBondContact O-N 3.26Å; Y699-M702 HydrophobicContact CD1-CE 4.22Å; Y700-M702 VanDerWaalsContact C-N 3.31Å; Y700-M702 PolarHBondContact O-N 3.03Å; M702-L706 HydrophobicContact CG-CD1 4.17Å; M702-L706 WeakPolarHBondContact O-CB 3.47Å; M702-L706 WeakPolarHBondContact O-CD1 3.32Å; M702-L706 VanDerWaalsContact O-CG 3.23Å; M702-L706 WeakPolarHBondContact O-CG 3.47Å; M702-L706 PolarHBondContact O-N 2.89Å
703	V	90	Very high	92.2	Very high	7 Å²	7	50.4 Å²	50.4	4%	0.042	26%	0.258	C	S	.	.	H	α-helix	trans	-66.9	-47.9	179.3	173.1	0	0	0	0	110.9	F566 V603 Y699 Y700 E701 D705 L707	F566-V703 HydrophobicContact CD2-CG1 4.48Å; F566-V703 HydrophobicContact CD2-CG2 4.08Å; F566-V703 HydrophobicContact CE2-CB 4.43Å; F566-V703 HydrophobicContact CE2-CG2 3.77Å; V603-V703 HydrophobicContact CG1-CG2 4.36Å; V603-V703 HydrophobicContact CG2-CG2 4.01Å; Y699-V703 WeakPolarHBondContact O-CG2 3.25Å; Y699-V703 PolarHBondContact O-N 3.12Å; Y700-V703 PolarHBondContact O-N 3.35Å; Y700-V703 VanDerWaalsContact O-N 3.15Å; E701-V703 PolarHBondContact O-N 3.42Å; V703-D705 PolarHBondContact O-N 3.4Å; V703-L707 HydrophobicContact CG1-CD1 3.95Å; V703-L707 VanDerWaalsContact O-CG 3.28Å; V703-L707 WeakPolarHBondContact O-CG 3.5Å; V703-L707 PolarHBondContact O-N 2.81Å; V703-L707 VanDerWaalsContact O-N 3.17Å
704	R	92.6	Very high	92.2	Very high	56 Å²	56	53.3 Å²	53.3	21%	0.211	27%	0.27	C	S	.	.	H	α-helix	trans	-56.7	-50.9	178.2	179.7	-160.2	66.7	-154.1	-8.5	111	M546 Y700 E701 L706 L707 I708	M546-R704 HydrophobicContact SD-CG 4.36Å; Y700-R704 HydrophobicContact CE2-CB 4.17Å; Y700-R704 WeakPolarHBondContact O-CB 3.26Å; Y700-R704 PolarHBondContact O-N 3.47Å; E701-R704 PolarHBondContact O-N 3.49Å; E701-R704 IonicContact OE1-NH1 3.25Å; E701-R704 IonicContact OE1-NH2 2.85Å; R704-L706 PolarHBondContact O-N 3.46Å; R704-L707 PolarHBondContact O-N 3.11Å; R704-I708 HydrophobicContact CG-CD1 3.74Å; R704-I708 HydrophobicContact CG-CG1 4.44Å; R704-I708 WeakPolarHBondContact O-CG1 2.85Å; R704-I708 PolarHBondContact O-N 2.93Å
705	D	93.3	Very high	92.2	Very high	73 Å²	73	51.7 Å²	51.7	39%	0.39	26%	0.262	S	S	.	.	H	α-helix	trans	-68.1	-38.3	-172.7	-66.6	-12.1	0	0	0	111.4	E701 V703 L707 I708 Q709	E701-D705 WeakPolarHBondContact O-CB 3.46Å; E701-D705 PolarHBondContact O-N 3.07Å; V703-D705 PolarHBondContact O-N 3.4Å; D705-L707 VanDerWaalsContact C-N 3.35Å; D705-L707 PolarHBondContact O-N 2.96Å; D705-I708 PolarHBondContact O-N 2.78Å; D705-Q709 WeakPolarHBondContact O-CB 2.8Å; D705-Q709 PolarHBondContact O-N 2.69Å
706	L	89.9	Confident	92.1	Very high	40 Å²	40	49.2 Å²	49.2	21%	0.209	25%	0.248	C	C	.	.	H	α-helix	trans	-62.3	-41.4	173.3	-73.6	171.4	0	0	0	112	V603 V607 M702 R704 K710	V603-L706 HydrophobicContact CB-CD1 4.2Å; V603-L706 HydrophobicContact CG1-CB 4.35Å; V603-L706 HydrophobicContact CG1-CD1 3.61Å; V607-L706 HydrophobicContact CG2-CB 4.34Å; M702-L706 HydrophobicContact CG-CD1 4.17Å; M702-L706 WeakPolarHBondContact O-CB 3.47Å; M702-L706 WeakPolarHBondContact O-CD1 3.32Å; M702-L706 VanDerWaalsContact O-CG 3.23Å; M702-L706 WeakPolarHBondContact O-CG 3.47Å; M702-L706 PolarHBondContact O-N 2.89Å; R704-L706 PolarHBondContact O-N 3.46Å; L706-K710 WeakPolarHBondContact O-CB 3.32Å; L706-K710 PolarHBondContact O-N 3.19Å
707	L	88.3	Confident	91.8	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-67.4	-41.6	176.8	-68.4	169	0	0	0	112.2	I568 V607 F678 I681 I683 V703 R704 D705 F711 S713	I568-L707 HydrophobicContact CD1-CD1 3.66Å; V607-L707 HydrophobicContact CG2-CD2 3.99Å; F678-L707 HydrophobicContact CD1-CD2 3.69Å; F678-L707 HydrophobicContact CE1-CD2 3.66Å; F678-L707 HydrophobicContact CG-CD2 4.44Å; F678-L707 HydrophobicContact CZ-CD2 4.4Å; I681-L707 HydrophobicContact CD1-CB 4.46Å; I681-L707 HydrophobicContact CD1-CD1 4.03Å; I683-L707 HydrophobicContact CD1-CD1 4.09Å; V703-L707 HydrophobicContact CG1-CD1 3.95Å; V703-L707 VanDerWaalsContact O-CG 3.28Å; V703-L707 WeakPolarHBondContact O-CG 3.5Å; V703-L707 PolarHBondContact O-N 2.81Å; V703-L707 VanDerWaalsContact O-N 3.17Å; R704-L707 PolarHBondContact O-N 3.11Å; D705-L707 VanDerWaalsContact C-N 3.35Å; D705-L707 PolarHBondContact O-N 2.96Å; L707-F711 HydrophobicContact CD2-CD2 4.27Å; L707-F711 HydrophobicContact CD2-CE2 4.31Å; L707-F711 PolarHBondContact O-N 2.84Å; L707-S713 PolarHBondContact O-OG 3.01Å
708	I	92.1	Very high	91.2	Very high	68 Å²	68	56.7 Å²	56.7	35%	0.349	29%	0.288	S	S	.	.	H	α-helix	trans	-65.2	-48.5	175.8	-68.6	172.8	0	0	0	110.2	M546 R704 D705 K710 S712	M546-I708 HydrophobicContact CE-CD1 4.42Å; M546-I708 HydrophobicContact CE-CG1 4.1Å; M546-I708 HydrophobicContact SD-CD1 4.19Å; R704-I708 HydrophobicContact CG-CD1 3.74Å; R704-I708 HydrophobicContact CG-CG1 4.44Å; R704-I708 WeakPolarHBondContact O-CG1 2.85Å; R704-I708 PolarHBondContact O-N 2.93Å; D705-I708 PolarHBondContact O-N 2.78Å; I708-K710 VanDerWaalsContact C-N 3.28Å; I708-K710 PolarHBondContact O-N 3.24Å; I708-S712 WeakPolarHBondContact O-CA 3.13Å; I708-S712 PolarHBondContact O-N 3.11Å
709	Q	91.3	Very high	90.7	Very high	161 Å²	161	58.5 Å²	58.5	75%	0.752	30%	0.304	S	S	*	.	H	α-helix	trans	-59.9	-39.1	-178.5	-176.4	-178.3	1.4	0	0	112	D705	D705-Q709 WeakPolarHBondContact O-CB 2.8Å; D705-Q709 PolarHBondContact O-N 2.69Å
710	K	89.2	Confident	90.1	Very high	91 Å²	91	61.9 Å²	61.9	40%	0.396	32%	0.32	S	S	.	.	H	α-helix	trans	-83.6	-46.8	-176.7	-174.2	71.4	173.6	-168.9	0	113.8	V607 N608 C610 L706 I708	V607-K710 HydrophobicContact CG1-CB 3.2Å; V607-K710 HydrophobicContact CG1-CD 4.13Å; V607-K710 HydrophobicContact CG1-CG 3.44Å; V607-K710 VanDerWaalsContact CG1-CG 3.44Å; V607-K710 VanDerWaalsContact O-CE 3.29Å; V607-K710 WeakPolarHBondContact O-CE 3.31Å; V607-K710 WeakPolarHBondContact O-CG 3.32Å; N608-K710 PolarHBondContact OD1-NZ 3.11Å; C610-K710 WeakPolarHBondContact SG-CE 3.25Å; L706-K710 WeakPolarHBondContact O-CB 3.32Å; L706-K710 PolarHBondContact O-N 3.19Å; I708-K710 VanDerWaalsContact C-N 3.28Å; I708-K710 PolarHBondContact O-N 3.24Å
711	F	88.6	Confident	89.4	Confident	29 Å²	29	62.8 Å²	62.8	13%	0.127	33%	0.325	C	S	.	.	H	α-helix	trans	-109	-2.9	-168.6	-60.9	-75.7	0	0	0	113.5	V607 C610 I674 F678 L707 S713	V607-F711 HydrophobicContact CG1-CE2 4.08Å; C610-F711 WeakPolarHBondContact SG-CE1 3.4Å; C610-F711 WeakPolarHBondContact SG-CZ 3.25Å; I674-F711 HydrophobicContact CG2-CE1 4.33Å; I674-F711 HydrophobicContact CG2-CZ 4.43Å; F678-F711 HydrophobicContact CB-CB 3.74Å; F678-F711 HydrophobicContact CB-CD1 3.91Å; F678-F711 HydrophobicContact CB-CD2 3.61Å; F678-F711 HydrophobicContact CB-CE1 4.39Å; F678-F711 HydrophobicContact CB-CE2 4.13Å; F678-F711 HydrophobicContact CB-CG 3.48Å; F678-F711 VanDerWaalsContact CB-CG 3.48Å; F678-F711 HydrophobicContact CB-CZ 4.49Å; F678-F711 HydrophobicContact CD1-CD2 4.47Å; F678-F711 HydrophobicContact CD2-CD1 4.28Å; F678-F711 AromaticContact CD2-CD2 3.95Å; F678-F711 HydrophobicContact CD2-CD2 3.95Å; F678-F711 AromaticContact CD2-CE1 3.89Å; F678-F711 HydrophobicContact CD2-CE1 3.89Å; F678-F711 AromaticContact CD2-CE2 3.53Å; F678-F711 HydrophobicContact CD2-CE2 3.53Å; F678-F711 HydrophobicContact CD2-CG 4.3Å; F678-F711 AromaticContact CD2-CZ 3.5Å; F678-F711 HydrophobicContact CD2-CZ 3.5Å; F678-F711 VanDerWaalsContact CD2-CZ 3.5Å; F678-F711 HydrophobicContact CE2-CE2 4.04Å; F678-F711 AromaticContact CE2-CZ 4Å; F678-F711 HydrophobicContact CE2-CZ 4Å; F678-F711 HydrophobicContact CG-CD1 4.47Å; F678-F711 AromaticContact CG-CD2 3.77Å; F678-F711 HydrophobicContact CG-CD2 3.77Å; F678-F711 AromaticContact CG-CE2 3.82Å; F678-F711 HydrophobicContact CG-CE2 3.82Å; F678-F711 HydrophobicContact CG-CG 4.11Å; F678-F711 HydrophobicContact CG-CZ 4.19Å; L707-F711 HydrophobicContact CD2-CD2 4.27Å; L707-F711 HydrophobicContact CD2-CE2 4.31Å; L707-F711 PolarHBondContact O-N 2.84Å; F711-S713 PolarHBondContact O-N 2.77Å
712	S	92.1	Very high	88.3	Confident	87 Å²	87	64.2 Å²	64.2	61%	0.608	34%	0.339	S	S	*	.			trans	54.2	35.3	-169.4	-55.5	0	0	0	0	112.3	I708	I708-S712 WeakPolarHBondContact O-CA 3.13Å; I708-S712 PolarHBondContact O-N 3.11Å
713	S	91.6	Very high	87.2	Confident	8 Å²	8	65.5 Å²	65.5	6%	0.056	35%	0.349	C	S	.	.			trans	-51.4	134.3	-175.9	-54.3	0	0	0	0	111.9	F678 L707 F711	F678-S713 WeakPolarHBondContact O-CA 3.28Å; F678-S713 VanDerWaalsContact O-CB 3.31Å; F678-S713 WeakPolarHBondContact O-CB 2.96Å; F678-S713 PolarHBondContact O-OG 3.3Å; L707-S713 PolarHBondContact O-OG 3.01Å; F711-S713 PolarHBondContact O-N 2.77Å
714	K	93.1	Very high	86.4	Confident	119 Å²	119	67.4 Å²	67.4	52%	0.517	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	156.2	179.1	-71.8	170.8	-169.5	166.4	0	111	E679 L680 I681 L716	E679-K714 PolarHBondContact O-N 3.23Å; L680-K714 WeakPolarHBondContact CA-O 3.36Å; L680-K714 HydrophobicContact CD2-CB 3.87Å; I681-K714 PolarHBondContact N-O 3.41Å; K714-L716 PolarHBondContact O-N 2.89Å
715	P	93.2	Very high	85.8	Confident	60 Å²	60	73.5 Å²	73.5	39%	0.39	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	134.3	177.9	25.7	-34	0	0	0	111.5	D545 M546	D545-P715 HydrophobicContact CB-CB 4Å; D545-P715 HydrophobicContact CB-CG 4.43Å; D545-P715 WeakPolarHBondContact O-CB 3.46Å; M546-P715 HydrophobicContact CB-CB 4.02Å; M546-P715 HydrophobicContact CG-CB 4.43Å
716	L	90.1	Very high	85.4	Confident	4 Å²	4	71 Å²	71	2%	0.021	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-74.6	135.7	168.2	178.1	60.7	0	0	0	110.2	V569 L571 L680 I681 F682 K714 L718 H720 I721	V569-L716 HydrophobicContact CG1-CD2 4.26Å; L571-L716 HydrophobicContact CD1-CD1 3.52Å; L571-L716 HydrophobicContact CD2-CD1 4.28Å; L571-L716 HydrophobicContact CG-CD1 3.47Å; L571-L716 VanDerWaalsContact CG-CD1 3.47Å; L680-L716 HydrophobicContact CB-CD1 4.43Å; I681-L716 PolarHBondContact O-N 2.86Å; F682-L716 HydrophobicContact CB-CB 4.21Å; K714-L716 PolarHBondContact O-N 2.89Å; L716-L718 PolarHBondContact O-N 2.89Å; L716-H720 HydrophobicContact CD1-CB 3.75Å; L716-H720 HydrophobicContact CD2-CB 4.39Å; L716-H720 HydrophobicContact CG-CB 4.09Å; L716-I721 HydrophobicContact CD2-CG1 4.12Å; L716-I721 HydrophobicContact CG-CG1 4.41Å
717	L	87.2	Confident	85.4	Confident	111 Å²	111	72.5 Å²	72.5	58%	0.581	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-57.9	130.6	174.7	-67.6	176	0	0	0	110.7	S719 H720	L717-S719 PolarHBondContact O-N 3.43Å; L717-H720 WeakPolarHBondContact O-CB 3.49Å; L717-H720 PolarHBondContact O-N 3.2Å
718	L	82.1	Confident	85.5	Confident	100 Å²	100	78.2 Å²	78.2	52%	0.524	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-55	-30.9	-178.9	-65.4	176.8	0	0	0	113.1	F682 L716 H720 I721	F682-L718 HydrophobicContact CD2-CD2 4.44Å; F682-L718 HydrophobicContact CE2-CD2 4.06Å; L716-L718 PolarHBondContact O-N 2.89Å; L718-H720 VanDerWaalsContact C-N 3.26Å; L718-H720 PolarHBondContact O-N 2.88Å; L718-I721 HydrophobicContact CD2-CD1 3.71Å; L718-I721 WeakPolarHBondContact O-CB 3.29Å; L718-I721 PolarHBondContact O-N 2.98Å; L718-I721 VanDerWaalsContact O-N 3.17Å
719	S	84.1	Confident	85.4	Confident	94 Å²	94	77.6 Å²	77.6	66%	0.657	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-65.8	-24.1	176.1	55.3	0	0	0	0	114.2	L717 I721	L717-S719 PolarHBondContact O-N 3.43Å; S719-I721 VanDerWaalsContact C-N 3.32Å
720	H	82.7	Confident	85.4	Confident	82 Å²	82	73.6 Å²	73.6	38%	0.38	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-82.9	-13.6	176.1	-62.7	164.2	0	0	0	112.6	L571 L716 L717 L718 T722	L571-H720 HydrophobicContact CD2-CB 3.86Å; L571-H720 HydrophobicContact CG-CB 4.47Å; L716-H720 HydrophobicContact CD1-CB 3.75Å; L716-H720 HydrophobicContact CD2-CB 4.39Å; L716-H720 HydrophobicContact CG-CB 4.09Å; L717-H720 WeakPolarHBondContact O-CB 3.49Å; L717-H720 PolarHBondContact O-N 3.2Å; L718-H720 VanDerWaalsContact C-N 3.26Å; L718-H720 PolarHBondContact O-N 2.88Å; H720-T722 PolarHBondContact O-N 3.48Å
721	I	78.4	Confident	85.5	Confident	24 Å²	24	78.7 Å²	78.7	12%	0.123	42%	0.42	C	S	.	.			trans	-78	78.6	178.4	-48.7	-179.9	0	0	0	108.7	F682 L716 L718 S719 R872	F682-I721 HydrophobicContact CB-CD1 3.83Å; F682-I721 HydrophobicContact CB-CG1 4.46Å; F682-I721 HydrophobicContact CD1-CD1 3.64Å; F682-I721 HydrophobicContact CD2-CD1 3.61Å; F682-I721 HydrophobicContact CE1-CD1 4Å; F682-I721 HydrophobicContact CE2-CD1 3.99Å; F682-I721 HydrophobicContact CG-CD1 3.41Å; F682-I721 VanDerWaalsContact CG-CD1 3.41Å; F682-I721 HydrophobicContact CG-CG1 4.47Å; F682-I721 HydrophobicContact CZ-CD1 4.15Å; L716-I721 HydrophobicContact CD2-CG1 4.12Å; L716-I721 HydrophobicContact CG-CG1 4.41Å; L718-I721 HydrophobicContact CD2-CD1 3.71Å; L718-I721 WeakPolarHBondContact O-CB 3.29Å; L718-I721 PolarHBondContact O-N 2.98Å; L718-I721 VanDerWaalsContact O-N 3.17Å; S719-I721 VanDerWaalsContact C-N 3.32Å; I721-R872 VanDerWaalsContact CG2-NH1 3.3Å; I721-R872 PolarHBondContact O-NH1 3.16Å
722	T	71.7	Confident	85.5	Confident	100 Å²	100	81.9 Å²	81.9	61%	0.613	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-78.7	149.6	-179.3	61.1	0	0	0	0	111.6	H720 R872	H720-T722 PolarHBondContact O-N 3.48Å; T722-R872 PolarHBondContact O-NH1 2.71Å
723	T	70.8	Confident	85.6	Confident	59 Å²	59	79.9 Å²	79.9	36%	0.362	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-97.1	137.5	163.7	50.2	0	0	0	0	107.8	R725	T723-R725 PolarHBondContact O-N 3.22Å
724	P	72.2	Confident	85.6	Confident	47 Å²	47	85 Å²	85	31%	0.305	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-52.7	136.6	173.6	-22.6	32.1	0	0	0	110.4	V179 L649 N799	V179-P724 HydrophobicContact CG1-CG 4.31Å; L649-P724 HydrophobicContact CD2-CB 4.43Å; P724-N799 VanDerWaalsContact O-CG 3.31Å
725	R	80.7	Confident	85.6	Confident	184 Å²	184	87 Å²	87	69%	0.694	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-101.3	152.8	175.6	-61.6	-178.9	-175.1	-163.1	1	108.9	H650 T723	H650-R725 HydrophobicContact CB-CB 3.93Å; H650-R725 VanDerWaalsContact CB-O 3.28Å; H650-R725 WeakPolarHBondContact CB-O 3.41Å; H650-R725 PolarHBondContact N-O 3.4Å; T723-R725 PolarHBondContact O-N 3.22Å
726	E	83.6	Confident	85.6	Confident	22 Å²	22	90.2 Å²	90.2	10%	0.103	51%	0.505	C	S	.	.	B	Isolated β-bridge	trans	-114.4	152.5	173	-84.6	169.2	-108.7	0	0	111.9	T648 L649 I728 R796 S798 N799 L801	T648-E726 CarbonylContact O-C 3.42Å; T648-E726 VanDerWaalsContact O-CA 3.27Å; T648-E726 WeakPolarHBondContact O-CA 3.26Å; T648-E726 WeakPolarHBondContact O-CG 3.27Å; L649-E726 HydrophobicContact CD2-CG 4.05Å; E726-I728 PolarHBondContact O-N 2.9Å; E726-R796 IonicContact OE2-CZ 3.69Å; E726-R796 IonicContact OE2-NH1 3.91Å; E726-R796 PolarHBondContact OE2-NH1 2.75Å; E726-R796 IonicContact OE2-NH2 3.84Å; E726-R796 PolarHBondContact OE2-NH2 2.91Å; E726-S798 WeakPolarHBondContact OE1-CA 3.31Å; E726-S798 WeakPolarHBondContact OE1-CB 3.47Å; E726-S798 PolarHBondContact OE1-OG 2.86Å; E726-S798 WeakPolarHBondContact OE2-CB 3.32Å; E726-S798 PolarHBondContact OE2-OG 2.97Å; E726-N799 PolarHBondContact OE1-N 3.32Å; E726-N799 VanDerWaalsContact OE1-N 3.13Å; E726-N799 PolarHBondContact OE1-ND2 2.71Å; E726-L801 HydrophobicContact CB-CD1 3.62Å; E726-L801 HydrophobicContact CB-CG 4.38Å
727	V	89.6	Confident	85.7	Confident	71 Å²	71	95.3 Å²	95.3	43%	0.43	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-69.1	123.4	173.8	-178.5	0	0	0	0	108.6	T648 Q754	T648-V727 PolarHBondContact O-N 3.24Å; V727-Q754 PolarHBondContact O-NE2 3.4Å
728	I	91	Very high	85.9	Confident	122 Å²	122	95.5 Å²	95.5	63%	0.626	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-82.4	120.8	169.7	-60.4	174.2	0	0	0	107.1	E726 P730 L801	E726-I728 PolarHBondContact O-N 2.9Å; I728-P730 WeakPolarHBondContact O-CD 3.2Å; I728-L801 HydrophobicContact CG1-CD1 4.3Å
729	I	90.8	Very high	86.2	Confident	55 Å²	55	96.6 Å²	96.6	28%	0.282	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-77.9	122.6	176.5	-59.9	177.9	0	0	0	107.2	F735 Y752 Q754	I729-F735 HydrophobicContact CG2-CD2 4.04Å; I729-F735 HydrophobicContact CG2-CE2 3.94Å; I729-Y752 HydrophobicContact CD1-CD1 4.49Å; I729-Q754 HydrophobicContact CD1-CB 4.18Å
730	P	91.8	Very high	86.3	Confident	77 Å²	77	102.3 Å²	102.3	50%	0.5	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-56.3	141	178.9	-25.9	34.1	0	0	0	112.5	I728 G732 S733	I728-P730 WeakPolarHBondContact O-CD 3.2Å; P730-G732 PolarHBondContact O-N 2.77Å; P730-S733 WeakPolarHBondContact O-CB 3.3Å; P730-S733 PolarHBondContact O-N 2.97Å; P730-S733 PolarHBondContact O-OG 2.89Å
731	E	90	Very high	86.1	Confident	198 Å²	198	100.3 Å²	100.3	93%	0.925	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	139	176.9	-68.5	-176.6	179.3	0	0	111.6	S733	E731-S733 PolarHBondContact O-N 3.23Å
732	G	89.3	Confident	85.9	Confident	95 Å²	95	103.8 Å²	103.8	98%	0.979	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	8.2	-178.9	0	0	0	0	0	115.1	P730	P730-G732 PolarHBondContact O-N 2.77Å
733	S	93.1	Very high	85.8	Confident	45 Å²	45	100.8 Å²	100.8	32%	0.315	54%	0.536	S	S	.	.			trans	-101.2	152.3	176.1	72.5	0	0	0	0	112.4	P730 E731 F735	P730-S733 WeakPolarHBondContact O-CB 3.3Å; P730-S733 PolarHBondContact O-N 2.97Å; P730-S733 PolarHBondContact O-OG 2.89Å; E731-S733 PolarHBondContact O-N 3.23Å; S733-F735 VanDerWaalsContact OG-CE2 3.22Å; S733-F735 WeakPolarHBondContact OG-CE2 3.39Å
734	S	91.2	Very high	85.7	Confident	117 Å²	117	99.5 Å²	99.5	82%	0.818	53%	0.526	S	S	*	.			trans	-132.8	142.5	171.8	62	0	0	0	0	109.8
735	F	94	Very high	85.5	Confident	159 Å²	159	100.9 Å²	100.9	70%	0.697	54%	0.535	S	S	*	.			trans	-131	145	-178.8	-62.7	-86.8	0	0	0	109.9	I729 S733	I729-F735 HydrophobicContact CG2-CD2 4.04Å; I729-F735 HydrophobicContact CG2-CE2 3.94Å; S733-F735 VanDerWaalsContact OG-CE2 3.22Å; S733-F735 WeakPolarHBondContact OG-CE2 3.39Å
736	L	93.2	Very high	85.4	Confident	128 Å²	128	92.4 Å²	92.4	67%	0.67	50%	0.504	S	S	*	.			trans	-128.8	124.1	-179.4	175	61.4	0	0	0	109.6	Q738	L736-Q738 HydrophobicContact CD1-CG 3.83Å; L736-Q738 HydrophobicContact CD2-CG 4.17Å; L736-Q738 HydrophobicContact CG-CG 3.85Å
737	Y	92.5	Very high	85.6	Confident	111 Å²	111	92.7 Å²	92.7	44%	0.435	51%	0.508	S	S	.	.			trans	-111.8	125.3	170.1	-177.4	-99.1	0	0	0	109.6	Y643 I647 R739	Y643-Y737 HydrophobicContact CD1-CE1 4.27Å; Y643-Y737 HydrophobicContact CG-CE1 4.05Å; I647-Y737 HydrophobicContact CD1-CD1 3.53Å; I647-Y737 HydrophobicContact CD1-CD2 3.64Å; I647-Y737 HydrophobicContact CD1-CE1 4.01Å; I647-Y737 HydrophobicContact CD1-CE2 4.1Å; I647-Y737 HydrophobicContact CD1-CG 3.31Å; Y737-R739 HydrophobicContact CD1-CG 4.48Å; Y737-R739 HydrophobicContact CE1-CG 3.53Å; Y737-R739 PolarHBondContact OH-NE 2.98Å
738	Q	91.6	Very high	85.5	Confident	116 Å²	116	90.3 Å²	90.3	54%	0.542	50%	0.496	S	S	.	.			trans	-125	136.7	-178.5	-70.9	-177.4	-27.5	0	0	111.1	L736 N815	L736-Q738 HydrophobicContact CD1-CG 3.83Å; L736-Q738 HydrophobicContact CD2-CG 4.17Å; L736-Q738 HydrophobicContact CG-CG 3.85Å; Q738-N815 PolarHBondContact NE2-OD1 3.46Å
739	R	88.6	Confident	85.6	Confident	122 Å²	122	85.5 Å²	85.5	46%	0.46	47%	0.472	S	S	.	.			trans	-132.7	132.7	172.4	-83	-83.5	-174.7	155.1	-0.2	108.7	Y643 Y737	Y643-R739 HydrophobicContact CE2-CB 4.5Å; Y643-R739 HydrophobicContact CE2-CG 4.45Å; Y737-R739 HydrophobicContact CD1-CG 4.48Å; Y737-R739 HydrophobicContact CE1-CG 3.53Å; Y737-R739 PolarHBondContact OH-NE 2.98Å
740	Y	86.4	Confident	85.7	Confident	214 Å²	214	84.6 Å²	84.6	84%	0.839	47%	0.465	S	S	*	.			trans	-88.7	127.3	168.6	-177.2	-96.1	0	0	0	109.2
741	I	77.9	Confident	85.8	Confident	41 Å²	41	82.8 Å²	82.8	21%	0.21	45%	0.448	C	S	.	.			trans	-116.8	112.7	-179.4	-55.3	161.2	0	0	0	107.8	Q639 G743 Q744	Q639-I741 HydrophobicContact CB-CD1 4.3Å; Q639-I741 VanDerWaalsContact OE1-CD1 3.24Å; I741-G743 PolarHBondContact O-N 3.12Å; I741-Q744 HydrophobicContact CB-CG 3.93Å; I741-Q744 HydrophobicContact CG2-CG 3.47Å; I741-Q744 VanDerWaalsContact CG2-CG 3.47Å
742	S	73	Confident	86	Confident	97 Å²	97	74.5 Å²	74.5	68%	0.678	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	133.6	-177.3	59.6	0	0	0	0	111.8
743	G	69.9	Low	86.2	Confident	37 Å²	37	73 Å²	73	38%	0.381	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.2	-23.6	171.8	0	0	0	0	0	114.8	F166 I741	F166-G743 WeakPolarHBondContact CD2-O 3.24Å; F166-G743 WeakPolarHBondContact CE2-O 3.37Å; I741-G743 PolarHBondContact O-N 3.12Å
744	Q	68.4	Low	86.2	Confident	31 Å²	31	72.9 Å²	72.9	15%	0.145	37%	0.372	C	S	.	.			trans	-61.4	128.1	-174.9	-64.7	-85.7	-13.7	0	0	110.4	F166 S632 K634 Q639 I741 A746	F166-Q744 HydrophobicContact CE1-CB 4.39Å; F166-Q744 HydrophobicContact CE1-CG 3.82Å; F166-Q744 HydrophobicContact CE2-CB 4.33Å; F166-Q744 HydrophobicContact CE2-CG 4.25Å; F166-Q744 VanDerWaalsContact CZ-CA 3.45Å; F166-Q744 HydrophobicContact CZ-CB 4.01Å; F166-Q744 HydrophobicContact CZ-CG 3.49Å; F166-Q744 VanDerWaalsContact CZ-CG 3.49Å; F166-Q744 VanDerWaalsContact CZ-NE2 3.32Å; S632-Q744 PolarHBondContact O-NE2 2.65Å; S632-Q744 VanDerWaalsContact O-NE2 3.15Å; K634-Q744 PolarHBondContact O-NE2 2.83Å; Q639-Q744 VanDerWaalsContact NE2-NE2 3.12Å; I741-Q744 HydrophobicContact CB-CG 3.93Å; I741-Q744 HydrophobicContact CG2-CG 3.47Å; I741-Q744 VanDerWaalsContact CG2-CG 3.47Å; Q744-A746 PolarHBondContact O-N 2.85Å
745	P	69.1	Low	86.3	Confident	77 Å²	77	70 Å²	70	50%	0.5	35%	0.352	S	S	.	.	S	Bend	trans	-69.3	-20.8	178.6	28.8	-38.2	0	0	0	112.2	F166	F166-P745 HydrophobicContact CB-CG 3.88Å; F166-P745 HydrophobicContact CD2-CG 4.33Å; F166-P745 HydrophobicContact CG-CG 3.96Å
746	A	78	Confident	86	Confident	5 Å²	5	64 Å²	64	4%	0.041	34%	0.335	C	S	.	.	S	Bend	trans	-131.2	140.3	-173.7	0	0	0	0	0	111.5	S636 Q744 L789 Q809 S810	S636-A746 WeakPolarHBondContact CB-O 3.32Å; S636-A746 PolarHBondContact OG-O 2.99Å; Q744-A746 PolarHBondContact O-N 2.85Å; A746-L789 HydrophobicContact CB-CD1 3.96Å; A746-Q809 HydrophobicContact CB-CG 3.81Å; A746-S810 CarbonylContact C-O 3.28Å; A746-S810 VanDerWaalsContact CA-O 3.23Å; A746-S810 WeakPolarHBondContact CA-O 3.5Å; A746-S810 WeakPolarHBondContact CB-O 3.34Å
747	S	87.3	Confident	85.8	Confident	28 Å²	28	63.8 Å²	63.8	20%	0.196	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	165.8	167.3	87.4	0	0	0	0	111.1	Q809 S810 Y812 P814	S747-Q809 CarbonylContact O-C 3.47Å; S747-Q809 WeakPolarHBondContact O-CA 3.45Å; S747-Q809 WeakPolarHBondContact O-CG 3.43Å; S747-S810 PolarHBondContact N-O 3.19Å; S747-S810 PolarHBondContact O-N 3.02Å; S747-Y812 PolarHBondContact OG-O 2.66Å; S747-P814 WeakPolarHBondContact OG-CD 3.47Å
748	A	89.1	Confident	85.6	Confident	22 Å²	22	60.1 Å²	60.1	18%	0.182	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	152.4	171.5	0	0	0	0	0	111.7	H637 A640 V808 Q809	H637-A748 HydrophobicContact CB-CB 4.22Å; A640-A748 HydrophobicContact CB-CB 4.43Å; A748-V808 CarbonylContact C-O 3.59Å; A748-V808 WeakPolarHBondContact CA-O 3.3Å; A748-V808 WeakPolarHBondContact CB-O 2.9Å; A748-Q809 HydrophobicContact CB-CB 4.49Å; A748-Q809 HydrophobicContact CB-CG 4.49Å
749	I	92.7	Very high	85.5	Confident	21 Å²	21	57 Å²	57	11%	0.108	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	134.6	170.4	-171.5	167.3	0	0	0	109.2	Y751 L807 V808 I817 D818 I821	I749-Y751 HydrophobicContact CD1-CD2 4.41Å; I749-L807 WeakPolarHBondContact O-CA 3.21Å; I749-L807 WeakPolarHBondContact O-CD1 3.42Å; I749-V808 HydrophobicContact CG2-CB 3.87Å; I749-V808 HydrophobicContact CG2-CG2 4.36Å; I749-V808 PolarHBondContact N-O 2.78Å; I749-V808 PolarHBondContact O-N 3.08Å; I749-I817 HydrophobicContact CG2-CB 4Å; I749-I817 HydrophobicContact CG2-CD1 4.35Å; I749-I817 HydrophobicContact CG2-CG2 3.5Å; I749-I817 VanDerWaalsContact CG2-CG2 3.5Å; I749-D818 HydrophobicContact CD1-CB 3.81Å; I749-I821 HydrophobicContact CD1-CD1 4.5Å; I749-I821 HydrophobicContact CG2-CD1 3.9Å
750	Y	92.7	Very high	85.4	Confident	35 Å²	35	54.6 Å²	54.6	14%	0.137	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	100.3	167.6	-164.8	-54.1	0	0	0	107.1	C641 L644 R805 L807	C641-Y750 HydrophobicContact CB-CD2 4.05Å; C641-Y750 HydrophobicContact CB-CE2 3.92Å; C641-Y750 WeakPolarHBondContact SG-CD2 3.44Å; C641-Y750 WeakPolarHBondContact SG-CE2 3.46Å; L644-Y750 HydrophobicContact CD2-CD1 3.31Å; L644-Y750 HydrophobicContact CD2-CE1 3.07Å; L644-Y750 HydrophobicContact CD2-CE2 4.34Å; L644-Y750 HydrophobicContact CD2-CG 4.02Å; L644-Y750 HydrophobicContact CG-CE1 4.49Å; Y750-R805 HydrophobicContact CD1-CB 4.29Å; Y750-R805 HydrophobicContact CE1-CB 3.5Å; Y750-R805 HydrophobicContact CE1-CG 4.24Å; Y750-R805 WeakPolarHBondContact OH-CD 3.35Å; Y750-L807 HydrophobicContact CD2-CD1 3.82Å; Y750-L807 HydrophobicContact CG-CD1 4.23Å
751	Y	94	Very high	85.7	Confident	39 Å²	39	49.9 Å²	49.9	15%	0.153	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	120.2	-179.5	-163.6	-75.1	0	0	0	108.8	I749 L753 R805 I806 D818 I821 E822 L825	I749-Y751 HydrophobicContact CD1-CD2 4.41Å; Y751-L753 HydrophobicContact CD1-CD2 4.44Å; Y751-L753 HydrophobicContact CD1-CG 4.24Å; Y751-L753 HydrophobicContact CE1-CD1 4.37Å; Y751-L753 HydrophobicContact CE1-CD2 3.61Å; Y751-L753 HydrophobicContact CE1-CG 3.83Å; Y751-R805 CarbonylContact O-C 3.52Å; Y751-R805 VanDerWaalsContact O-CA 3.23Å; Y751-R805 WeakPolarHBondContact O-CA 3.27Å; Y751-I806 PolarHBondContact N-O 3.03Å; Y751-I806 PolarHBondContact O-N 3.45Å; Y751-D818 WeakPolarHBondContact CE2-OD1 3.36Å; Y751-I821 HydrophobicContact CD1-CG2 4.14Å; Y751-I821 HydrophobicContact CD2-CB 4.49Å; Y751-I821 HydrophobicContact CD2-CD1 4.29Å; Y751-I821 HydrophobicContact CD2-CG2 3.88Å; Y751-I821 HydrophobicContact CE1-CG2 4.37Å; Y751-I821 HydrophobicContact CE2-CG2 4.12Å; Y751-I821 HydrophobicContact CG-CD1 4.39Å; Y751-I821 HydrophobicContact CG-CG2 3.91Å; Y751-E822 PolarHBondContact OH-OE1 3.02Å; Y751-L825 HydrophobicContact CE1-CD1 3.93Å
752	Y	93.9	Very high	86.3	Confident	25 Å²	25	50.8 Å²	50.8	10%	0.098	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	120.1	-173.6	176.6	-126.8	0	0	0	111.7	L644 T648 I729 Q754 R796 Q802	L644-Y752 HydrophobicContact CD1-CD1 4.33Å; L644-Y752 HydrophobicContact CD2-CD1 4.28Å; L644-Y752 HydrophobicContact CD2-CG 4.02Å; T648-Y752 HydrophobicContact CG2-CD1 4.48Å; T648-Y752 HydrophobicContact CG2-CE1 4.42Å; I729-Y752 HydrophobicContact CD1-CD1 4.49Å; Y752-Q754 HydrophobicContact CE1-CB 4.01Å; Y752-R796 HydrophobicContact CD2-CB 4.21Å; Y752-R796 HydrophobicContact CE2-CB 3.8Å; Y752-R796 HydrophobicContact CE2-CG 4.16Å; Y752-R796 PolarHBondContact OH-NH1 3.3Å; Y752-Q802 PolarHBondContact OH-O 3.2Å
753	L	93.5	Very high	87.1	Confident	63 Å²	63	46.7 Å²	46.7	33%	0.33	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	105.5	174.2	-65.2	178.7	0	0	0	109	Y751 C755 G803 F804 L825	Y751-L753 HydrophobicContact CD1-CD2 4.44Å; Y751-L753 HydrophobicContact CD1-CG 4.24Å; Y751-L753 HydrophobicContact CE1-CD1 4.37Å; Y751-L753 HydrophobicContact CE1-CD2 3.61Å; Y751-L753 HydrophobicContact CE1-CG 3.83Å; L753-C755 PolarHBondContact O-SG 3.3Å; L753-C755 VanDerWaalsContact O-SG 3.38Å; L753-G803 CarbonylContact O-C 3.35Å; L753-G803 WeakPolarHBondContact O-CA 3.28Å; L753-F804 HydrophobicContact CB-CB 4.45Å; L753-F804 HydrophobicContact CD1-CD1 4.2Å; L753-F804 PolarHBondContact N-O 2.88Å; L753-F804 PolarHBondContact O-N 2.71Å; L753-L825 HydrophobicContact CD1-CD1 4.19Å; L753-L825 HydrophobicContact CD1-CD2 4.32Å
754	Q	93.3	Very high	88.1	Confident	42 Å²	42	48.2 Å²	48.2	20%	0.196	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	125.4	177.4	-174.1	176	79.7	0	0	110.3	V727 I729 Y752	V727-Q754 PolarHBondContact O-NE2 3.4Å; I729-Q754 HydrophobicContact CD1-CB 4.18Å; Y752-Q754 HydrophobicContact CE1-CB 4.01Å
755	C	92.2	Very high	89.3	Confident	57 Å²	57	51.5 Å²	51.5	39%	0.385	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	27.5	-173.5	-57.6	0	0	0	0	112.8	L753 L766 Q802	L753-C755 PolarHBondContact O-SG 3.3Å; L753-C755 VanDerWaalsContact O-SG 3.38Å; C755-L766 HydrophobicContact CB-CD1 4.48Å; C755-L766 HydrophobicContact CB-CD2 4.45Å; C755-Q802 PolarHBondContact N-O 3.25Å
756	G	89.1	Confident	90.5	Very high	33 Å²	33	48.3 Å²	48.3	34%	0.34	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	78.3	-160.7	177.4	0	0	0	0	0	115.1	L801 Q802	G756-L801 WeakPolarHBondContact O-CA 3.32Å; G756-Q802 PolarHBondContact O-N 2.58Å; G756-Q802 VanDerWaalsContact O-N 3.1Å
757	E	89.6	Confident	91.1	Very high	123 Å²	123	49.2 Å²	49.2	58%	0.575	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	150.4	-176.7	-65	-169.8	166	0	0	112.8	S759 N762 K800 L801	E757-S759 PolarHBondContact O-N 3.1Å; E757-N762 PolarHBondContact O-ND2 2.7Å; E757-K800 CarbonylContact C-O 3.49Å; E757-K800 WeakPolarHBondContact CA-O 3.28Å; E757-L801 HydrophobicContact CG-CD2 3.85Å
758	Q	87.7	Confident	91.4	Very high	35 Å²	35	49.2 Å²	49.2	16%	0.164	27%	0.271	C	S	.	.			trans	-69.3	121.3	173.3	-69.3	173.4	44.6	0	0	110.5	N763 N799 K800 L801 Q802 H873	Q758-N763 WeakPolarHBondContact CA-OD1 3.49Å; Q758-N799 PolarHBondContact NE2-O 2.92Å; Q758-K800 WeakPolarHBondContact CG-O 3.42Å; Q758-K800 PolarHBondContact N-O 2.94Å; Q758-L801 PolarHBondContact NE2-O 3.24Å; Q758-Q802 HydrophobicContact CG-CB 4.1Å; Q758-Q802 HydrophobicContact CG-CG 4.18Å; Q758-H873 PolarHBondContact OE1-CE1 3.32Å
759	S	88.2	Confident	91.6	Very high	50 Å²	50	51 Å²	51	35%	0.35	28%	0.275	S	S	.	.			trans	-141.9	161.3	168.9	69.3	0	0	0	0	107.6	E757 L761 N762 N763	E757-S759 PolarHBondContact O-N 3.1Å; S759-L761 VanDerWaalsContact C-N 3.27Å; S759-L761 PolarHBondContact O-N 2.81Å; S759-N762 PolarHBondContact O-N 3.15Å; S759-N762 WeakPolarHBondContact OG-CB 3.33Å; S759-N762 VanDerWaalsContact OG-CG 3.24Å; S759-N762 PolarHBondContact OG-N 2.89Å; S759-N762 VanDerWaalsContact OG-N 3.12Å; S759-N762 PolarHBondContact OG-ND2 2.77Å; S759-N763 WeakPolarHBondContact O-CB 3.45Å; S759-N763 PolarHBondContact O-N 2.82Å; S759-N763 PolarHBondContact O-ND2 3.08Å; S759-N763 PolarHBondContact O-OD1 2.65Å
760	T	87.7	Confident	91.5	Very high	72 Å²	72	52.7 Å²	52.7	44%	0.442	28%	0.28	S	S	.	.	H	α-helix	trans	-50.9	-49.9	176.7	-66.2	0	0	0	0	111.2	N763 T764 Y881	T760-N763 PolarHBondContact O-N 2.95Å; T760-T764 WeakPolarHBondContact O-CB 3.29Å; T760-T764 PolarHBondContact O-N 2.92Å; T760-T764 PolarHBondContact O-OG1 3.04Å; T760-Y881 WeakPolarHBondContact CG2-O 3.35Å
761	L	91.5	Very high	91.3	Very high	115 Å²	115	51.4 Å²	51.4	60%	0.602	28%	0.276	S	S	*	.	H	α-helix	trans	-60.4	-53.1	178.8	-179.7	62.1	0	0	0	112.5	S759 N763 T764 L765	S759-L761 VanDerWaalsContact C-N 3.27Å; S759-L761 PolarHBondContact O-N 2.81Å; L761-N763 VanDerWaalsContact C-N 3.31Å; L761-N763 PolarHBondContact O-N 2.9Å; L761-T764 PolarHBondContact O-N 2.87Å; L761-L765 HydrophobicContact CD1-CD1 4Å; L761-L765 HydrophobicContact CD1-CG 4.15Å; L761-L765 HydrophobicContact CG-CD1 3.96Å; L761-L765 HydrophobicContact CG-CG 4.48Å; L761-L765 WeakPolarHBondContact O-CG 3.47Å; L761-L765 PolarHBondContact O-N 2.64Å
762	N	92	Very high	91.2	Very high	59 Å²	59	49.9 Å²	49.9	32%	0.316	27%	0.27	S	S	.	.	H	α-helix	trans	-65.4	-36.5	-176.4	-67.7	-12.3	0	0	0	112	E757 S759 L766	E757-N762 PolarHBondContact O-ND2 2.7Å; S759-N762 PolarHBondContact O-N 3.15Å; S759-N762 WeakPolarHBondContact OG-CB 3.33Å; S759-N762 VanDerWaalsContact OG-CG 3.24Å; S759-N762 PolarHBondContact OG-N 2.89Å; S759-N762 VanDerWaalsContact OG-N 3.12Å; S759-N762 PolarHBondContact OG-ND2 2.77Å; N762-L766 VanDerWaalsContact O-CB 3.23Å; N762-L766 WeakPolarHBondContact O-CB 3.4Å; N762-L766 PolarHBondContact O-N 3.44Å
763	N	89.4	Confident	91	Very high	12 Å²	12	48.7 Å²	48.7	6%	0.064	27%	0.265	C	S	.	.	H	α-helix	trans	-63	-47.9	175.9	-67.1	-10.1	0	0	0	110.5	Q758 S759 T760 L761 L766 H767 Q802 R878	Q758-N763 WeakPolarHBondContact CA-OD1 3.49Å; S759-N763 WeakPolarHBondContact O-CB 3.45Å; S759-N763 PolarHBondContact O-N 2.82Å; S759-N763 PolarHBondContact O-ND2 3.08Å; S759-N763 PolarHBondContact O-OD1 2.65Å; T760-N763 PolarHBondContact O-N 2.95Å; L761-N763 VanDerWaalsContact C-N 3.31Å; L761-N763 PolarHBondContact O-N 2.9Å; N763-L766 PolarHBondContact O-N 3.22Å; N763-H767 VanDerWaalsContact O-CB 3.32Å; N763-H767 WeakPolarHBondContact O-CB 3.33Å; N763-H767 PolarHBondContact O-CD2 3.44Å; N763-H767 PolarHBondContact O-N 2.64Å; N763-Q802 PolarHBondContact OD1-NE2 3.25Å; N763-Q802 PolarHBondContact OD1-OE1 2.64Å; N763-R878 PolarHBondContact ND2-NH1 2.77Å
764	T	91	Very high	90.5	Very high	69 Å²	69	47.9 Å²	47.9	42%	0.423	26%	0.258	S	S	.	.	H	α-helix	trans	-63.7	-45.5	179.9	-59.9	0	0	0	0	111.4	T760 L761 L766 H767 L768	T760-T764 WeakPolarHBondContact O-CB 3.29Å; T760-T764 PolarHBondContact O-N 2.92Å; T760-T764 PolarHBondContact O-OG1 3.04Å; L761-T764 PolarHBondContact O-N 2.87Å; T764-L766 PolarHBondContact O-N 3.18Å; T764-H767 PolarHBondContact O-N 2.87Å; T764-L768 WeakPolarHBondContact O-CB 3.46Å; T764-L768 PolarHBondContact O-N 2.97Å
765	L	93.8	Very high	89.9	Confident	100 Å²	100	46.2 Å²	46.2	52%	0.524	25%	0.252	S	S	.	.	H	α-helix	trans	-60	-46.4	176.7	-70.2	174.2	0	0	0	111.8	L761 L768 F769	L761-L765 HydrophobicContact CD1-CD1 4Å; L761-L765 HydrophobicContact CD1-CG 4.15Å; L761-L765 HydrophobicContact CG-CD1 3.96Å; L761-L765 HydrophobicContact CG-CG 4.48Å; L761-L765 WeakPolarHBondContact O-CG 3.47Å; L761-L765 PolarHBondContact O-N 2.64Å; L765-L768 PolarHBondContact O-N 2.87Å; L765-F769 VanDerWaalsContact O-CB 3.26Å; L765-F769 WeakPolarHBondContact O-CB 3.32Å; L765-F769 PolarHBondContact O-N 3.3Å
766	L	93.5	Very high	89.6	Confident	9 Å²	9	45.1 Å²	45.1	5%	0.047	24%	0.244	C	C	.	.	H	α-helix	trans	-67	-38.4	179.8	-179.4	60.3	0	0	0	112.2	C755 N762 N763 T764 Y770 L795 Q802 F804	C755-L766 HydrophobicContact CB-CD1 4.48Å; C755-L766 HydrophobicContact CB-CD2 4.45Å; N762-L766 VanDerWaalsContact O-CB 3.23Å; N762-L766 WeakPolarHBondContact O-CB 3.4Å; N762-L766 PolarHBondContact O-N 3.44Å; N763-L766 PolarHBondContact O-N 3.22Å; T764-L766 PolarHBondContact O-N 3.18Å; L766-Y770 WeakPolarHBondContact O-CB 3.46Å; L766-Y770 PolarHBondContact O-N 3.48Å; L766-L795 HydrophobicContact CD1-CD2 3.74Å; L766-L795 HydrophobicContact CD2-CD2 4.02Å; L766-L795 HydrophobicContact CG-CD2 3.54Å; L766-Q802 HydrophobicContact CD2-CB 3.92Å; L766-Q802 HydrophobicContact CD2-CG 3.7Å; L766-F804 HydrophobicContact CD1-CB 4.09Å
767	H	90.8	Very high	89.3	Confident	25 Å²	25	43.5 Å²	43.5	12%	0.116	23%	0.228	C	C	.	.	H	α-helix	trans	-64.2	-45.7	175.1	-91.2	-103.7	0	0	0	112.3	N763 T764 Y770 Q771 L795 R797 L847	N763-H767 VanDerWaalsContact O-CB 3.32Å; N763-H767 WeakPolarHBondContact O-CB 3.33Å; N763-H767 PolarHBondContact O-CD2 3.44Å; N763-H767 PolarHBondContact O-N 2.64Å; T764-H767 PolarHBondContact O-N 2.87Å; H767-Y770 PolarHBondContact O-N 3.43Å; H767-Q771 WeakPolarHBondContact O-CB 3.38Å; H767-Q771 PolarHBondContact O-N 3.25Å; H767-L795 VanDerWaalsContact CD2-CD1 3.42Å; H767-L795 WeakPolarHBondContact CD2-CD1 3.25Å; H767-L795 VanDerWaalsContact NE2-CD1 3.27Å; H767-L795 WeakPolarHBondContact NE2-CD1 3.24Å; H767-R797 PolarHBondContact CD2-NH2 3.1Å; H767-R797 VanDerWaalsContact NE2-CZ 3.3Å; H767-R797 PolarHBondContact NE2-NH2 3.18Å; H767-L847 HydrophobicContact CB-CD1 3.94Å; H767-L847 HydrophobicContact CB-CD2 3.88Å
768	L	92.8	Very high	88.5	Confident	28 Å²	28	38.9 Å²	38.9	15%	0.147	21%	0.206	C	C	.	.	H	α-helix	trans	-66.3	-43.5	178.1	-176.4	59.4	0	0	0	111.5	T764 L765 Y770 Q771 I772 F840 H843 V844 L847	T764-L768 WeakPolarHBondContact O-CB 3.46Å; T764-L768 PolarHBondContact O-N 2.97Å; L765-L768 PolarHBondContact O-N 2.87Å; L768-Y770 PolarHBondContact O-N 2.94Å; L768-Q771 PolarHBondContact O-N 3.12Å; L768-I772 HydrophobicContact CD1-CD1 4.2Å; L768-I772 HydrophobicContact CG-CD1 4.05Å; L768-I772 WeakPolarHBondContact O-CG1 3.31Å; L768-I772 PolarHBondContact O-N 2.87Å; L768-F840 HydrophobicContact CD2-CE2 3.8Å; L768-F840 HydrophobicContact CD2-CZ 3.64Å; L768-F840 HydrophobicContact CG-CE2 4.38Å; L768-H843 HydrophobicContact CD1-CB 4.46Å; L768-V844 HydrophobicContact CD1-CG2 3.89Å; L768-V844 HydrophobicContact CD2-CG2 4.39Å; L768-L847 HydrophobicContact CB-CD2 4.04Å; L768-L847 HydrophobicContact CD1-CD2 4.35Å
769	F	94.1	Very high	87.7	Confident	60 Å²	60	39.8 Å²	39.8	26%	0.263	21%	0.212	S	C	.	.	H	α-helix	trans	-55.4	-51.3	173.2	178.1	-95.7	0	0	0	110.9	L765 Q771 I772 V773 F804 V828 L832	L765-F769 VanDerWaalsContact O-CB 3.26Å; L765-F769 WeakPolarHBondContact O-CB 3.32Å; L765-F769 PolarHBondContact O-N 3.3Å; F769-Q771 PolarHBondContact O-N 3.25Å; F769-I772 PolarHBondContact O-N 3.35Å; F769-V773 HydrophobicContact CD1-CG1 4.47Å; F769-V773 HydrophobicContact CD1-CG2 3.96Å; F769-V773 HydrophobicContact CD2-CG1 4.12Å; F769-V773 HydrophobicContact CE1-CG1 4.14Å; F769-V773 HydrophobicContact CE1-CG2 3.66Å; F769-V773 HydrophobicContact CE2-CG1 3.77Å; F769-V773 HydrophobicContact CG-CG1 4.47Å; F769-V773 HydrophobicContact CZ-CG1 3.78Å; F769-V773 HydrophobicContact CZ-CG2 4.11Å; F769-V773 WeakPolarHBondContact O-CG1 3.45Å; F769-V773 WeakPolarHBondContact O-CG2 3.48Å; F769-V773 PolarHBondContact O-N 3.28Å; F769-F804 HydrophobicContact CD1-CD2 4.33Å; F769-F804 HydrophobicContact CE1-CD1 4.27Å; F769-F804 HydrophobicContact CE1-CD2 4.18Å; F769-F804 HydrophobicContact CE1-CE1 4.43Å; F769-F804 HydrophobicContact CE1-CE2 4.36Å; F769-F804 HydrophobicContact CE1-CG 4.12Å; F769-F804 HydrophobicContact CE1-CZ 4.49Å; F769-V828 HydrophobicContact CE2-CG1 3.64Å; F769-V828 HydrophobicContact CZ-CG1 3.94Å; F769-L832 HydrophobicContact CD2-CD1 4.49Å; F769-L832 HydrophobicContact CE2-CD1 4.39Å
770	Y	91.7	Very high	87.3	Confident	56 Å²	56	40 Å²	40	22%	0.22	21%	0.207	C	C	.	.	H	α-helix	trans	-58.4	-45.5	176.2	164.6	-107.7	0	0	0	112.7	L766 H767 L768 I772 V773 R774 A793 L795 F804	L766-Y770 WeakPolarHBondContact O-CB 3.46Å; L766-Y770 PolarHBondContact O-N 3.48Å; H767-Y770 PolarHBondContact O-N 3.43Å; L768-Y770 PolarHBondContact O-N 2.94Å; Y770-I772 PolarHBondContact O-N 2.88Å; Y770-V773 PolarHBondContact O-N 3.21Å; Y770-R774 HydrophobicContact CD2-CB 4.06Å; Y770-R774 HydrophobicContact CE2-CB 3.72Å; Y770-R774 WeakPolarHBondContact O-CB 3.41Å; Y770-R774 WeakPolarHBondContact O-CG 2.9Å; Y770-R774 PolarHBondContact O-N 3.02Å; Y770-A793 HydrophobicContact CE2-CB 4.22Å; Y770-L795 HydrophobicContact CD1-CD1 4.19Å; Y770-L795 HydrophobicContact CD1-CG 4.14Å; Y770-L795 HydrophobicContact CD2-CD2 4.48Å; Y770-L795 HydrophobicContact CD2-CG 4.45Å; Y770-L795 HydrophobicContact CG-CD1 4.32Å; Y770-L795 HydrophobicContact CG-CD2 4.02Å; Y770-L795 HydrophobicContact CG-CG 3.91Å; Y770-F804 HydrophobicContact CD2-CE2 4.12Å
771	Q	87.8	Confident	86.9	Confident	8 Å²	8	36.6 Å²	36.6	4%	0.037	19%	0.186	C	C	.	.	H	α-helix	trans	-57.5	-37.3	178.6	176.6	62	20.3	0	0	112.2	H767 L768 F769 R774 H843 S846 L847	H767-Q771 WeakPolarHBondContact O-CB 3.38Å; H767-Q771 PolarHBondContact O-N 3.25Å; L768-Q771 PolarHBondContact O-N 3.12Å; F769-Q771 PolarHBondContact O-N 3.25Å; Q771-R774 VanDerWaalsContact NE2-NH2 3.19Å; Q771-H843 HydrophobicContact CG-CB 4.03Å; Q771-H843 PolarHBondContact O-ND1 2.76Å; Q771-S846 PolarHBondContact NE2-OG 3.36Å; Q771-L847 HydrophobicContact CG-CB 4.32Å
772	I	90.8	Very high	85.5	Confident	7 Å²	7	32 Å²	32	4%	0.036	16%	0.161	C	C	.	.	H	α-helix	trans	-75.1	-52.3	177.5	-69.3	164.6	0	0	0	110.9	L768 F769 Y770 P776 L831 L832 M835 F840 H843	L768-I772 HydrophobicContact CD1-CD1 4.2Å; L768-I772 HydrophobicContact CG-CD1 4.05Å; L768-I772 WeakPolarHBondContact O-CG1 3.31Å; L768-I772 PolarHBondContact O-N 2.87Å; F769-I772 PolarHBondContact O-N 3.35Å; Y770-I772 PolarHBondContact O-N 2.88Å; I772-P776 WeakPolarHBondContact O-CD 3.45Å; I772-L831 HydrophobicContact CG2-CD2 4.16Å; I772-L832 HydrophobicContact CD1-CD2 4.13Å; I772-L832 HydrophobicContact CG2-CD2 3.7Å; I772-M835 HydrophobicContact CB-CE 4.38Å; I772-M835 HydrophobicContact CD1-CE 4.47Å; I772-M835 HydrophobicContact CD1-SD 4.44Å; I772-M835 HydrophobicContact CG1-CE 4.17Å; I772-M835 HydrophobicContact CG2-CE 3.43Å; I772-M835 VanDerWaalsContact CG2-CE 3.43Å; I772-F840 HydrophobicContact CD1-CD2 4.11Å; I772-F840 HydrophobicContact CD1-CE2 4.1Å; I772-H843 HydrophobicContact CG1-CB 3.96Å
773	V	90.1	Very high	84	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-83.9	-14.7	-169.4	-53.3	0	0	0	0	113.9	F769 Y770 G775 P776 T777 F804 F824 V828	F769-V773 HydrophobicContact CD1-CG1 4.47Å; F769-V773 HydrophobicContact CD1-CG2 3.96Å; F769-V773 HydrophobicContact CD2-CG1 4.12Å; F769-V773 HydrophobicContact CE1-CG1 4.14Å; F769-V773 HydrophobicContact CE1-CG2 3.66Å; F769-V773 HydrophobicContact CE2-CG1 3.77Å; F769-V773 HydrophobicContact CG-CG1 4.47Å; F769-V773 HydrophobicContact CZ-CG1 3.78Å; F769-V773 HydrophobicContact CZ-CG2 4.11Å; F769-V773 WeakPolarHBondContact O-CG1 3.45Å; F769-V773 WeakPolarHBondContact O-CG2 3.48Å; F769-V773 PolarHBondContact O-N 3.28Å; Y770-V773 PolarHBondContact O-N 3.21Å; V773-G775 VanDerWaalsContact C-N 3.34Å; V773-G775 PolarHBondContact O-N 3.23Å; V773-P776 WeakPolarHBondContact O-CD 3.18Å; V773-T777 VanDerWaalsContact O-CB 3.27Å; V773-T777 WeakPolarHBondContact O-CB 3.47Å; V773-T777 PolarHBondContact O-N 2.89Å; V773-T777 PolarHBondContact O-OG1 3.39Å; V773-F804 HydrophobicContact CG2-CE2 3.7Å; V773-F804 HydrophobicContact CG2-CZ 3.68Å; V773-F824 HydrophobicContact CB-CZ 4.47Å; V773-V828 HydrophobicContact CG1-CG1 3.81Å
774	R	84	Confident	82.8	Confident	45 Å²	45	35.2 Å²	35.2	17%	0.17	17%	0.174	C	C	.	.	H	α-helix	trans	-58	-43.8	-176.6	66.3	-176.2	-174.8	166.8	1.5	112.8	T95 Y770 Q771 F778	T95-R774 PolarHBondContact O-NH2 3.44Å; Y770-R774 HydrophobicContact CD2-CB 4.06Å; Y770-R774 HydrophobicContact CE2-CB 3.72Å; Y770-R774 WeakPolarHBondContact O-CB 3.41Å; Y770-R774 WeakPolarHBondContact O-CG 2.9Å; Y770-R774 PolarHBondContact O-N 3.02Å; Q771-R774 VanDerWaalsContact NE2-NH2 3.19Å; R774-F778 PolarHBondContact O-N 2.96Å
775	G	79.2	Confident	81.8	Confident	7 Å²	7	33.6 Å²	33.6	7%	0.072	16%	0.162	C	C	.	.	H	α-helix	trans	-65.3	-58	177.4	0	0	0	0	0	110.8	V773 T777 F778 D779	V773-G775 VanDerWaalsContact C-N 3.34Å; V773-G775 PolarHBondContact O-N 3.23Å; G775-T777 VanDerWaalsContact C-N 3.31Å; G775-T777 PolarHBondContact O-N 3.46Å; G775-F778 CarbonylContact O-C 3.54Å; G775-F778 WeakPolarHBondContact O-CA 3.28Å; G775-F778 WeakPolarHBondContact O-CB 3.35Å; G775-F778 PolarHBondContact O-N 2.91Å; G775-D779 PolarHBondContact O-N 3.36Å
776	P	86.1	Confident	80.3	Confident	34 Å²	34	32 Å²	32	22%	0.221	15%	0.152	C	C	.	.	H	α-helix	trans	-56.6	-35.4	176	-29.9	37.1	0	0	0	115.3	I772 V773 F778 D779 K780 F824 L831	I772-P776 WeakPolarHBondContact O-CD 3.45Å; V773-P776 WeakPolarHBondContact O-CD 3.18Å; P776-F778 VanDerWaalsContact C-N 3.32Å; P776-D779 PolarHBondContact O-N 2.91Å; P776-K780 VanDerWaalsContact O-CB 3.28Å; P776-K780 WeakPolarHBondContact O-CB 3.49Å; P776-K780 PolarHBondContact O-N 3.02Å; P776-F824 HydrophobicContact CB-CE2 4.09Å; P776-F824 WeakPolarHBondContact O-CE2 3.35Å; P776-L831 HydrophobicContact CB-CD1 4.36Å; P776-L831 HydrophobicContact CB-CD2 4.01Å; P776-L831 HydrophobicContact CG-CD1 4.05Å; P776-L831 HydrophobicContact CG-CD2 3.72Å
777	T	83.5	Confident	78.9	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.6	-46.2	175.2	-56.3	0	0	0	0	109.9	V773 G775 L781 A793 I806 F824	V773-T777 VanDerWaalsContact O-CB 3.27Å; V773-T777 WeakPolarHBondContact O-CB 3.47Å; V773-T777 PolarHBondContact O-N 2.89Å; V773-T777 PolarHBondContact O-OG1 3.39Å; G775-T777 VanDerWaalsContact C-N 3.31Å; G775-T777 PolarHBondContact O-N 3.46Å; T777-L781 HydrophobicContact CG2-CD1 3.73Å; T777-L781 HydrophobicContact CG2-CG 4.4Å; T777-L781 VanDerWaalsContact O-CB 3.28Å; T777-L781 WeakPolarHBondContact O-CB 3.14Å; T777-L781 WeakPolarHBondContact O-CG 3.39Å; T777-L781 PolarHBondContact O-N 2.66Å; T777-A793 HydrophobicContact CG2-CB 4.05Å; T777-I806 HydrophobicContact CG2-CD1 3.92Å; T777-I806 HydrophobicContact CG2-CG1 4.1Å; T777-I806 HydrophobicContact CG2-CG2 4.33Å; T777-F824 HydrophobicContact CG2-CD1 4.31Å; T777-F824 HydrophobicContact CG2-CE1 3.84Å; T777-F824 HydrophobicContact CG2-CZ 4.28Å; T777-F824 WeakPolarHBondContact OG1-CE1 3.4Å; T777-F824 WeakPolarHBondContact OG1-CZ 3.49Å
778	F	73.8	Confident	77.4	Confident	25 Å²	25	30.7 Å²	30.7	11%	0.11	15%	0.147	C	C	.	.	I	π-helix	trans	-64.3	-50.7	175.7	-168	-86.8	0	0	0	110.2	Y193 R774 G775 P776 K780 L781 Y782 T783	Y193-F778 VanDerWaalsContact CB-CD1 3.44Å; Y193-F778 HydrophobicContact CG-CD1 4.33Å; Y193-F778 WeakPolarHBondContact O-CE1 3.49Å; Y193-F778 WeakPolarHBondContact O-CE2 3.26Å; Y193-F778 WeakPolarHBondContact O-CZ 3.33Å; R774-F778 PolarHBondContact O-N 2.96Å; G775-F778 CarbonylContact O-C 3.54Å; G775-F778 WeakPolarHBondContact O-CA 3.28Å; G775-F778 WeakPolarHBondContact O-CB 3.35Å; G775-F778 PolarHBondContact O-N 2.91Å; P776-F778 VanDerWaalsContact C-N 3.32Å; F778-K780 VanDerWaalsContact C-N 3.26Å; F778-K780 PolarHBondContact O-N 2.98Å; F778-L781 PolarHBondContact O-N 3.09Å; F778-Y782 HydrophobicContact CD1-CD1 4.3Å; F778-Y782 HydrophobicContact CD1-CG 4.42Å; F778-Y782 HydrophobicContact CD2-CG 4.31Å; F778-Y782 AromaticContact CE1-CD1 3.35Å; F778-Y782 HydrophobicContact CE1-CD1 3.35Å; F778-Y782 HydrophobicContact CE1-CE1 4.02Å; F778-Y782 AromaticContact CE1-CG 3.74Å; F778-Y782 HydrophobicContact CE1-CG 3.74Å; F778-Y782 AromaticContact CE2-CD1 4Å; F778-Y782 HydrophobicContact CE2-CD1 4Å; F778-Y782 AromaticContact CE2-CD2 3.89Å; F778-Y782 HydrophobicContact CE2-CD2 3.89Å; F778-Y782 HydrophobicContact CE2-CE2 4.45Å; F778-Y782 AromaticContact CE2-CG 3.62Å; F778-Y782 HydrophobicContact CE2-CG 3.62Å; F778-Y782 AromaticContact CZ-CD1 3.14Å; F778-Y782 HydrophobicContact CZ-CD1 3.14Å; F778-Y782 AromaticContact CZ-CD2 3.82Å; F778-Y782 HydrophobicContact CZ-CD2 3.82Å; F778-Y782 AromaticContact CZ-CE1 3.59Å; F778-Y782 HydrophobicContact CZ-CE1 3.59Å; F778-Y782 HydrophobicContact CZ-CE2 4.19Å; F778-Y782 AromaticContact CZ-CG 3.27Å; F778-Y782 HydrophobicContact CZ-CG 3.27Å; F778-Y782 WeakPolarHBondContact O-CA 3.36Å; F778-Y782 WeakPolarHBondContact O-CB 3.4Å; F778-Y782 PolarHBondContact O-N 3.27Å; F778-T783 PolarHBondContact O-N 2.9Å
779	D	70.8	Confident	75.9	Confident	54 Å²	54	30.5 Å²	30.5	29%	0.289	15%	0.146	S	C	.	.	I	π-helix	trans	-60	-34.3	-178.8	-69.3	-26.8	0	0	0	112.7	G775 P776 T783 E784	G775-D779 PolarHBondContact O-N 3.36Å; P776-D779 PolarHBondContact O-N 2.91Å; D779-T783 CarbonylContact O-C 3.48Å; D779-T783 WeakPolarHBondContact O-CA 3.34Å; D779-T783 WeakPolarHBondContact O-CB 3.01Å; D779-T783 PolarHBondContact O-N 3.31Å; D779-E784 WeakPolarHBondContact O-CG 2.96Å; D779-E784 PolarHBondContact O-N 2.83Å
780	K	78.4	Confident	74.9	Confident	56 Å²	56	30 Å²	30	24%	0.243	15%	0.146	C	C	.	.	I	π-helix	trans	-81.5	-52.2	179.3	-167.8	61.9	169.7	-174.7	0	112.6	P776 F778 E784 Q785 F824	P776-K780 VanDerWaalsContact O-CB 3.28Å; P776-K780 WeakPolarHBondContact O-CB 3.49Å; P776-K780 PolarHBondContact O-N 3.02Å; F778-K780 VanDerWaalsContact C-N 3.26Å; F778-K780 PolarHBondContact O-N 2.98Å; K780-E784 HydrophobicContact CD-CB 4.34Å; K780-E784 WeakPolarHBondContact CD-OE2 3.44Å; K780-E784 WeakPolarHBondContact CE-OE2 3.43Å; K780-E784 IonicContact NZ-OE2 3.93Å; K780-E784 PolarHBondContact NZ-OE2 3.08Å; K780-E784 PolarHBondContact O-N 2.79Å; K780-Q785 WeakPolarHBondContact O-CB 3.28Å; K780-Q785 WeakPolarHBondContact O-CG 3.16Å; K780-Q785 PolarHBondContact O-N 2.98Å; K780-F824 HydrophobicContact CB-CB 4.31Å; K780-F824 HydrophobicContact CB-CD2 3.54Å; K780-F824 HydrophobicContact CB-CE2 4.28Å; K780-F824 HydrophobicContact CB-CG 4.2Å; K780-F824 HydrophobicContact CG-CB 3.88Å; K780-F824 HydrophobicContact CG-CD2 3.83Å; K780-F824 HydrophobicContact CG-CG 4.26Å
781	L	78.9	Confident	74.3	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.139	C	C	.	.	I	π-helix	trans	-84.1	-45.6	-169.3	-59.5	-177.5	0	0	0	112	T777 F778 L787 V791 I806 C820 I821 F824	T777-L781 HydrophobicContact CG2-CD1 3.73Å; T777-L781 HydrophobicContact CG2-CG 4.4Å; T777-L781 VanDerWaalsContact O-CB 3.28Å; T777-L781 WeakPolarHBondContact O-CB 3.14Å; T777-L781 WeakPolarHBondContact O-CG 3.39Å; T777-L781 PolarHBondContact O-N 2.66Å; F778-L781 PolarHBondContact O-N 3.09Å; L781-L787 HydrophobicContact CB-CD1 4.01Å; L781-L787 HydrophobicContact CD2-CD1 3.82Å; L781-L787 HydrophobicContact CG-CD1 4.48Å; L781-L787 WeakPolarHBondContact O-CB 2.83Å; L781-L787 WeakPolarHBondContact O-CG 3.43Å; L781-L787 PolarHBondContact O-N 2.81Å; L781-V791 HydrophobicContact CB-CG1 4.04Å; L781-I806 HydrophobicContact CD1-CD1 4.22Å; L781-I806 HydrophobicContact CD1-CG2 3.76Å; L781-C820 HydrophobicContact CD2-CB 4.44Å; L781-C820 WeakPolarHBondContact CD2-O 3.15Å; L781-I821 HydrophobicContact CD1-CG1 3.76Å; L781-I821 HydrophobicContact CD2-CG1 4.25Å; L781-F824 HydrophobicContact CD1-CD1 4.46Å; L781-F824 HydrophobicContact CD2-CB 3.75Å; L781-F824 HydrophobicContact CD2-CG 4.39Å; L781-F824 HydrophobicContact CG-CB 4.29Å; L781-F824 HydrophobicContact CG-CG 4.41Å
782	Y	62.7	Low	73.9	Confident	19 Å²	19	31 Å²	31	8%	0.075	15%	0.153	C	C	.	.	I	π-helix	trans	-77.5	-51.7	175.2	-169.8	-89.7	0	0	0	109.3	F778 Q786 G788 V791	F778-Y782 HydrophobicContact CD1-CD1 4.3Å; F778-Y782 HydrophobicContact CD1-CG 4.42Å; F778-Y782 HydrophobicContact CD2-CG 4.31Å; F778-Y782 AromaticContact CE1-CD1 3.35Å; F778-Y782 HydrophobicContact CE1-CD1 3.35Å; F778-Y782 HydrophobicContact CE1-CE1 4.02Å; F778-Y782 AromaticContact CE1-CG 3.74Å; F778-Y782 HydrophobicContact CE1-CG 3.74Å; F778-Y782 AromaticContact CE2-CD1 4Å; F778-Y782 HydrophobicContact CE2-CD1 4Å; F778-Y782 AromaticContact CE2-CD2 3.89Å; F778-Y782 HydrophobicContact CE2-CD2 3.89Å; F778-Y782 HydrophobicContact CE2-CE2 4.45Å; F778-Y782 AromaticContact CE2-CG 3.62Å; F778-Y782 HydrophobicContact CE2-CG 3.62Å; F778-Y782 AromaticContact CZ-CD1 3.14Å; F778-Y782 HydrophobicContact CZ-CD1 3.14Å; F778-Y782 AromaticContact CZ-CD2 3.82Å; F778-Y782 HydrophobicContact CZ-CD2 3.82Å; F778-Y782 AromaticContact CZ-CE1 3.59Å; F778-Y782 HydrophobicContact CZ-CE1 3.59Å; F778-Y782 HydrophobicContact CZ-CE2 4.19Å; F778-Y782 AromaticContact CZ-CG 3.27Å; F778-Y782 HydrophobicContact CZ-CG 3.27Å; F778-Y782 WeakPolarHBondContact O-CA 3.36Å; F778-Y782 WeakPolarHBondContact O-CB 3.4Å; F778-Y782 PolarHBondContact O-N 3.27Å; Y782-Q786 VanDerWaalsContact O-CA 3.25Å; Y782-Q786 WeakPolarHBondContact O-CA 2.88Å; Y782-Q786 PolarHBondContact O-N 3.3Å; Y782-G788 WeakPolarHBondContact CD2-O 3.38Å; Y782-G788 WeakPolarHBondContact CE2-O 3.47Å; Y782-V791 HydrophobicContact CD2-CB 3.91Å; Y782-V791 HydrophobicContact CD2-CG2 3.76Å; Y782-V791 HydrophobicContact CG-CB 4.39Å; Y782-V791 HydrophobicContact CG-CG2 4.32Å
783	T	60.1	Low	73.7	Confident	15 Å²	15	31.2 Å²	31.2	9%	0.092	16%	0.156	C	C	.	.	I	π-helix	trans	-80.7	-69.8	-168.4	-61.2	0	0	0	0	113.3	T195 F196 C197 F778 D779 Q785	T195-T783 PolarHBondContact O-OG1 2.89Å; F196-T783 HydrophobicContact CB-CG2 3.39Å; F196-T783 HydrophobicContact CG-CG2 4.39Å; F196-T783 WeakPolarHBondContact O-CA 3.32Å; F196-T783 WeakPolarHBondContact O-CB 3.47Å; F196-T783 WeakPolarHBondContact O-CG2 3.31Å; F196-T783 PolarHBondContact O-OG1 3.23Å; C197-T783 WeakPolarHBondContact CB-O 2.91Å; C197-T783 PolarHBondContact SG-O 3.2Å; F778-T783 PolarHBondContact O-N 2.9Å; D779-T783 CarbonylContact O-C 3.48Å; D779-T783 WeakPolarHBondContact O-CA 3.34Å; D779-T783 WeakPolarHBondContact O-CB 3.01Å; D779-T783 PolarHBondContact O-N 3.31Å; T783-Q785 PolarHBondContact O-N 3.17Å
784	E	65.3	Low	73.6	Confident	122 Å²	122	31.4 Å²	31.4	57%	0.57	16%	0.158	S	C	*	.	I	π-helix	trans	-66.2	-44	-174.8	-68.6	177.4	-158.7	0	0	113.7	D779 K780	D779-E784 WeakPolarHBondContact O-CG 2.96Å; D779-E784 PolarHBondContact O-N 2.83Å; K780-E784 HydrophobicContact CD-CB 4.34Å; K780-E784 WeakPolarHBondContact CD-OE2 3.44Å; K780-E784 WeakPolarHBondContact CE-OE2 3.43Å; K780-E784 IonicContact NZ-OE2 3.93Å; K780-E784 PolarHBondContact NZ-OE2 3.08Å; K780-E784 PolarHBondContact O-N 2.79Å
785	Q	68.8	Low	73.9	Confident	36 Å²	36	30.5 Å²	30.5	17%	0.168	16%	0.156	C	C	.	.	S	Bend	trans	-90.1	-6.7	-173.9	-67.5	174.1	-18.8	0	0	113.9	K780 T783 L787 E823	K780-Q785 WeakPolarHBondContact O-CB 3.28Å; K780-Q785 WeakPolarHBondContact O-CG 3.16Å; K780-Q785 PolarHBondContact O-N 2.98Å; T783-Q785 PolarHBondContact O-N 3.17Å; Q785-L787 VanDerWaalsContact C-N 3.27Å; Q785-L787 HydrophobicContact CB-CD1 4.34Å; Q785-L787 HydrophobicContact CB-CD2 4.28Å; Q785-L787 HydrophobicContact CB-CG 3.84Å; Q785-L787 PolarHBondContact O-N 3.48Å; Q785-E823 PolarHBondContact NE2-OE2 3.27Å
786	Q	62.4	Low	74.2	Confident	66 Å²	66	30.7 Å²	30.7	31%	0.308	16%	0.155	S	C	.	.			trans	53.3	38.9	177.1	-39.2	-160.6	-61.5	0	0	113.7	C197 Y782 G788	C197-Q786 HydrophobicContact CB-CB 4.05Å; C197-Q786 HydrophobicContact CB-CG 3.54Å; C197-Q786 PolarHBondContact SG-NE2 3.4Å; Y782-Q786 VanDerWaalsContact O-CA 3.25Å; Y782-Q786 WeakPolarHBondContact O-CA 2.88Å; Y782-Q786 PolarHBondContact O-N 3.3Å; Q786-G788 VanDerWaalsContact C-N 3.35Å; Q786-G788 PolarHBondContact O-N 3.28Å
787	L	65.2	Low	74	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.159	C	C	.	.			trans	-74.3	-13.2	-165.2	-69.7	176.3	0	0	0	115.2	L781 Q785 V808 S810 Y812 I817 C820	L781-L787 HydrophobicContact CB-CD1 4.01Å; L781-L787 HydrophobicContact CD2-CD1 3.82Å; L781-L787 HydrophobicContact CG-CD1 4.48Å; L781-L787 WeakPolarHBondContact O-CB 2.83Å; L781-L787 WeakPolarHBondContact O-CG 3.43Å; L781-L787 PolarHBondContact O-N 2.81Å; Q785-L787 VanDerWaalsContact C-N 3.27Å; Q785-L787 HydrophobicContact CB-CD1 4.34Å; Q785-L787 HydrophobicContact CB-CD2 4.28Å; Q785-L787 HydrophobicContact CB-CG 3.84Å; Q785-L787 PolarHBondContact O-N 3.48Å; L787-V808 HydrophobicContact CB-CG1 4.31Å; L787-S810 WeakPolarHBondContact O-CB 3.27Å; L787-S810 PolarHBondContact O-OG 2.89Å; L787-Y812 HydrophobicContact CD2-CD2 4.46Å; L787-I817 HydrophobicContact CD1-CG2 4.14Å; L787-C820 HydrophobicContact CD1-CB 3.33Å; L787-C820 HydrophobicContact CD2-CB 3.96Å; L787-C820 HydrophobicContact CG-CB 4.17Å
788	G	58.2	Low	73.4	Confident	7 Å²	7	33 Å²	33	7%	0.072	16%	0.16	C	C	.	.			trans	174.9	172	-178.5	0	0	0	0	0	118.9	Y782 Q786 I790 Q809	Y782-G788 WeakPolarHBondContact CD2-O 3.38Å; Y782-G788 WeakPolarHBondContact CE2-O 3.47Å; Q786-G788 VanDerWaalsContact C-N 3.35Å; Q786-G788 PolarHBondContact O-N 3.28Å; G788-I790 VanDerWaalsContact C-N 3.26Å; G788-I790 PolarHBondContact O-N 3.34Å; G788-Q809 CarbonylContact C-O 3.56Å; G788-Q809 WeakPolarHBondContact CA-O 3.26Å
789	L	62	Low	73.4	Confident	23 Å²	23	32.5 Å²	32.5	12%	0.12	16%	0.158	C	C	.	.	S	Bend	trans	-64.9	-30	176.3	-60.5	165.3	0	0	0	112	V199 S204 A746 Q809	V199-L789 HydrophobicContact CB-CD2 4.26Å; V199-L789 HydrophobicContact CG1-CD2 3.75Å; V199-L789 HydrophobicContact CG2-CD2 4.45Å; S204-L789 VanDerWaalsContact CB-CD2 3.42Å; S204-L789 WeakPolarHBondContact OG-CD2 3.44Å; A746-L789 HydrophobicContact CB-CD1 3.96Å; L789-Q809 PolarHBondContact N-O 3.24Å
790	I	72.4	Confident	74	Confident	50 Å²	50	36 Å²	36	26%	0.256	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	129	-179.9	-56.9	173.7	0	0	0	107.5	H637 G788 V808 Q809	H637-I790 VanDerWaalsContact CE1-CD1 3.49Å; H637-I790 WeakPolarHBondContact CE1-CD1 3.21Å; H637-I790 WeakPolarHBondContact ND1-CD1 3.45Å; G788-I790 VanDerWaalsContact C-N 3.26Å; G788-I790 PolarHBondContact O-N 3.34Å; I790-V808 CarbonylContact O-C 3.58Å; I790-V808 WeakPolarHBondContact O-CA 3.33Å; I790-Q809 HydrophobicContact CB-CB 3.87Å; I790-Q809 HydrophobicContact CD1-CB 4.17Å; I790-Q809 HydrophobicContact CG1-CB 4.18Å; I790-Q809 PolarHBondContact N-O 3.18Å; I790-Q809 PolarHBondContact O-N 3.24Å
791	V	79	Confident	74.4	Confident	12 Å²	12	34 Å²	34	7%	0.073	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	121.9	167.2	173.5	0	0	0	0	106.9	L781 Y782 L807 V808	L781-V791 HydrophobicContact CB-CG1 4.04Å; Y782-V791 HydrophobicContact CD2-CB 3.91Å; Y782-V791 HydrophobicContact CD2-CG2 3.76Å; Y782-V791 HydrophobicContact CG-CB 4.39Å; Y782-V791 HydrophobicContact CG-CG2 4.32Å; V791-L807 CarbonylContact C-O 3.55Å; V791-L807 VanDerWaalsContact CA-O 3.3Å; V791-L807 WeakPolarHBondContact CA-O 3.19Å; V791-V808 HydrophobicContact CG1-CG2 4.34Å; V791-V808 HydrophobicContact CG2-CB 4.46Å; V791-V808 HydrophobicContact CG2-CG1 3.93Å; V791-V808 HydrophobicContact CG2-CG2 4.09Å
792	Q	79.9	Confident	75	Confident	72 Å²	72	34 Å²	34	34%	0.336	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	117.3	-178.8	-171.2	-173.3	21.8	0	0	110.5	R805 I806 L807	Q792-R805 VanDerWaalsContact OE1-NH1 3.14Å; Q792-I806 CarbonylContact O-C 3.56Å; Q792-I806 WeakPolarHBondContact O-CA 3.31Å; Q792-L807 HydrophobicContact CB-CB 4.44Å; Q792-L807 PolarHBondContact N-O 3.18Å; Q792-L807 PolarHBondContact O-N 2.96Å
793	A	87.6	Confident	76.4	Confident	13 Å²	13	33.1 Å²	33.1	11%	0.107	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	147	161.3	0	0	0	0	0	109.6	Y770 T777 F804 R805	Y770-A793 HydrophobicContact CE2-CB 4.22Å; T777-A793 HydrophobicContact CG2-CB 4.05Å; A793-F804 HydrophobicContact CB-CE2 4.06Å; A793-F804 HydrophobicContact CB-CZ 3.99Å; A793-R805 CarbonylContact C-O 3.5Å; A793-R805 WeakPolarHBondContact CA-O 3.26Å
794	G	87.9	Confident	78	Confident	4 Å²	4	32.5 Å²	32.5	4%	0.041	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	175.9	176.7	0	0	0	0	0	113.1	R805	G794-R805 PolarHBondContact N-O 2.96Å; G794-R805 WeakPolarHBondContact O-CG 3.39Å; G794-R805 PolarHBondContact O-N 3.22Å
795	L	89.3	Confident	79.3	Confident	25 Å²	25	27.3 Å²	27.3	13%	0.131	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	123.5	173.4	-60.8	-177	0	0	0	109.2	L766 H767 Y770 F804	L766-L795 HydrophobicContact CD1-CD2 3.74Å; L766-L795 HydrophobicContact CD2-CD2 4.02Å; L766-L795 HydrophobicContact CG-CD2 3.54Å; H767-L795 VanDerWaalsContact CD2-CD1 3.42Å; H767-L795 WeakPolarHBondContact CD2-CD1 3.25Å; H767-L795 VanDerWaalsContact NE2-CD1 3.27Å; H767-L795 WeakPolarHBondContact NE2-CD1 3.24Å; Y770-L795 HydrophobicContact CD1-CD1 4.19Å; Y770-L795 HydrophobicContact CD1-CG 4.14Å; Y770-L795 HydrophobicContact CD2-CD2 4.48Å; Y770-L795 HydrophobicContact CD2-CG 4.45Å; Y770-L795 HydrophobicContact CG-CD1 4.32Å; Y770-L795 HydrophobicContact CG-CD2 4.02Å; Y770-L795 HydrophobicContact CG-CG 3.91Å; L795-F804 HydrophobicContact CD2-CD2 4.37Å
796	R	86.6	Confident	80.4	Confident	12 Å²	12	25.6 Å²	25.6	5%	0.045	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	111.8	169.9	-178.3	-178.2	177.1	-79.6	-7.3	108	T648 E726 Y752 Q802 G803	T648-R796 PolarHBondContact OG1-NH2 2.89Å; E726-R796 IonicContact OE2-CZ 3.69Å; E726-R796 IonicContact OE2-NH1 3.91Å; E726-R796 PolarHBondContact OE2-NH1 2.75Å; E726-R796 IonicContact OE2-NH2 3.84Å; E726-R796 PolarHBondContact OE2-NH2 2.91Å; Y752-R796 HydrophobicContact CD2-CB 4.21Å; Y752-R796 HydrophobicContact CE2-CB 3.8Å; Y752-R796 HydrophobicContact CE2-CG 4.16Å; Y752-R796 PolarHBondContact OH-NH1 3.3Å; R796-Q802 CarbonylContact O-C 3.57Å; R796-Q802 VanDerWaalsContact O-CA 3.23Å; R796-Q802 WeakPolarHBondContact O-CA 3.3Å; R796-G803 PolarHBondContact N-O 3.15Å; R796-G803 PolarHBondContact O-N 3.33Å
797	R	80.4	Confident	81.8	Confident	79 Å²	79	22.6 Å²	22.6	30%	0.298	11%	0.109	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	134.2	164.9	-72.6	177.7	170.2	169.3	-5.5	107.9	F180 H767 Q802	F180-R797 WeakPolarHBondContact CD1-O 3.39Å; F180-R797 HydrophobicContact CE1-CB 4.15Å; F180-R797 VanDerWaalsContact CE1-O 3.32Å; F180-R797 WeakPolarHBondContact CE1-O 3.49Å; H767-R797 PolarHBondContact CD2-NH2 3.1Å; H767-R797 VanDerWaalsContact NE2-CZ 3.3Å; H767-R797 PolarHBondContact NE2-NH2 3.18Å; R797-Q802 HydrophobicContact CG-CB 4.19Å
798	S	72.4	Confident	82.8	Confident	3 Å²	3	22.6 Å²	22.6	2%	0.021	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	132.4	172.7	-177.5	0	0	0	0	109.2	F180 E726 K800 L801	F180-S798 VanDerWaalsContact CD1-CA 3.48Å; F180-S798 VanDerWaalsContact CE1-CA 3.41Å; E726-S798 WeakPolarHBondContact OE1-CA 3.31Å; E726-S798 WeakPolarHBondContact OE1-CB 3.47Å; E726-S798 PolarHBondContact OE1-OG 2.86Å; E726-S798 WeakPolarHBondContact OE2-CB 3.32Å; E726-S798 PolarHBondContact OE2-OG 2.97Å; S798-K800 PolarHBondContact O-N 3.14Å; S798-K800 VanDerWaalsContact O-N 3.07Å; S798-L801 PolarHBondContact N-O 3.22Å; S798-L801 VanDerWaalsContact N-O 3.07Å; S798-L801 CarbonylContact O-C 3.38Å; S798-L801 WeakPolarHBondContact O-CA 2.92Å; S798-L801 PolarHBondContact O-N 3.34Å
799	N	74.2	Confident	84	Confident	15 Å²	15	23.3 Å²	23.3	8%	0.08	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	32.6	-107.3	-164.6	-55.5	-74.8	0	0	0	112.5	F180 P724 E726 Q758 H873	F180-N799 VanDerWaalsContact CD2-N 3.3Å; F180-N799 HydrophobicContact CE2-CB 4.1Å; F180-N799 WeakPolarHBondContact CE2-OD1 3.34Å; P724-N799 VanDerWaalsContact O-CG 3.31Å; E726-N799 PolarHBondContact OE1-N 3.32Å; E726-N799 VanDerWaalsContact OE1-N 3.13Å; E726-N799 PolarHBondContact OE1-ND2 2.71Å; Q758-N799 PolarHBondContact NE2-O 2.92Å; N799-H873 PolarHBondContact O-CE1 3.34Å; N799-H873 VanDerWaalsContact O-CE1 3.26Å; N799-H873 PolarHBondContact O-NE2 3.19Å
800	K	81.5	Confident	84.9	Confident	127 Å²	127	22.2 Å²	22.2	55%	0.552	11%	0.105	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-12.4	178.3	-64.4	-172.9	176.6	-172.5	0	113.6	E757 Q758 S798	E757-K800 CarbonylContact C-O 3.49Å; E757-K800 WeakPolarHBondContact CA-O 3.28Å; Q758-K800 WeakPolarHBondContact CG-O 3.42Å; Q758-K800 PolarHBondContact N-O 2.94Å; S798-K800 PolarHBondContact O-N 3.14Å; S798-K800 VanDerWaalsContact O-N 3.07Å
801	L	88.3	Confident	85.3	Confident	13 Å²	13	23.1 Å²	23.1	7%	0.068	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	164	-178	-60.7	-176.6	0	0	0	111.4	E726 I728 G756 E757 Q758 S798	E726-L801 HydrophobicContact CB-CD1 3.62Å; E726-L801 HydrophobicContact CB-CG 4.38Å; I728-L801 HydrophobicContact CG1-CD1 4.3Å; G756-L801 WeakPolarHBondContact O-CA 3.32Å; E757-L801 HydrophobicContact CG-CD2 3.85Å; Q758-L801 PolarHBondContact NE2-O 3.24Å; S798-L801 PolarHBondContact N-O 3.22Å; S798-L801 VanDerWaalsContact N-O 3.07Å; S798-L801 CarbonylContact O-C 3.38Å; S798-L801 WeakPolarHBondContact O-CA 2.92Å; S798-L801 PolarHBondContact O-N 3.34Å
802	Q	90.1	Very high	85.6	Confident	1 Å²	1	25.7 Å²	25.7	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	169.6	173.7	61.6	-175	-22.7	0	0	111	Y752 C755 G756 Q758 N763 L766 R796 R797	Y752-Q802 PolarHBondContact OH-O 3.2Å; C755-Q802 PolarHBondContact N-O 3.25Å; G756-Q802 PolarHBondContact O-N 2.58Å; G756-Q802 VanDerWaalsContact O-N 3.1Å; Q758-Q802 HydrophobicContact CG-CB 4.1Å; Q758-Q802 HydrophobicContact CG-CG 4.18Å; N763-Q802 PolarHBondContact OD1-NE2 3.25Å; N763-Q802 PolarHBondContact OD1-OE1 2.64Å; L766-Q802 HydrophobicContact CD2-CB 3.92Å; L766-Q802 HydrophobicContact CD2-CG 3.7Å; R796-Q802 CarbonylContact O-C 3.57Å; R796-Q802 VanDerWaalsContact O-CA 3.23Å; R796-Q802 WeakPolarHBondContact O-CA 3.3Å; R797-Q802 HydrophobicContact CG-CB 4.19Å
803	G	92.8	Very high	85.9	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176	172.9	171.8	0	0	0	0	0	113.3	L753 R796	L753-G803 CarbonylContact O-C 3.35Å; L753-G803 WeakPolarHBondContact O-CA 3.28Å; R796-G803 PolarHBondContact N-O 3.15Å; R796-G803 PolarHBondContact O-N 3.33Å
804	F	93.7	Very high	86	Confident	3 Å²	3	28.8 Å²	28.8	1%	0.013	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	141	174.7	179.2	-107.2	0	0	0	109.8	L753 L766 F769 Y770 V773 A793 L795 I806	L753-F804 HydrophobicContact CB-CB 4.45Å; L753-F804 HydrophobicContact CD1-CD1 4.2Å; L753-F804 PolarHBondContact N-O 2.88Å; L753-F804 PolarHBondContact O-N 2.71Å; L766-F804 HydrophobicContact CD1-CB 4.09Å; F769-F804 HydrophobicContact CD1-CD2 4.33Å; F769-F804 HydrophobicContact CE1-CD1 4.27Å; F769-F804 HydrophobicContact CE1-CD2 4.18Å; F769-F804 HydrophobicContact CE1-CE1 4.43Å; F769-F804 HydrophobicContact CE1-CE2 4.36Å; F769-F804 HydrophobicContact CE1-CG 4.12Å; F769-F804 HydrophobicContact CE1-CZ 4.49Å; Y770-F804 HydrophobicContact CD2-CE2 4.12Å; V773-F804 HydrophobicContact CG2-CE2 3.7Å; V773-F804 HydrophobicContact CG2-CZ 3.68Å; A793-F804 HydrophobicContact CB-CE2 4.06Å; A793-F804 HydrophobicContact CB-CZ 3.99Å; L795-F804 HydrophobicContact CD2-CD2 4.37Å; F804-I806 HydrophobicContact CD1-CG1 4.38Å; F804-I806 HydrophobicContact CE1-CD1 3.76Å; F804-I806 HydrophobicContact CE1-CG1 3.54Å; F804-I806 HydrophobicContact CZ-CD1 4.35Å; F804-I806 HydrophobicContact CZ-CG1 3.96Å
805	R	93.1	Very high	86.2	Confident	12 Å²	12	32.4 Å²	32.4	5%	0.045	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	148.8	177.4	66.6	170.6	-179.1	97.5	-10.6	112	E182 Y750 Y751 Q792 A793 G794	E182-R805 IonicContact OE1-NE 2.71Å; E182-R805 IonicContact OE1-NH2 3.68Å; E182-R805 IonicContact OE2-NH2 3.72Å; Y750-R805 HydrophobicContact CD1-CB 4.29Å; Y750-R805 HydrophobicContact CE1-CB 3.5Å; Y750-R805 HydrophobicContact CE1-CG 4.24Å; Y750-R805 WeakPolarHBondContact OH-CD 3.35Å; Y751-R805 CarbonylContact O-C 3.52Å; Y751-R805 VanDerWaalsContact O-CA 3.23Å; Y751-R805 WeakPolarHBondContact O-CA 3.27Å; Q792-R805 VanDerWaalsContact OE1-NH1 3.14Å; A793-R805 CarbonylContact C-O 3.5Å; A793-R805 WeakPolarHBondContact CA-O 3.26Å; G794-R805 PolarHBondContact N-O 2.96Å; G794-R805 WeakPolarHBondContact O-CG 3.39Å; G794-R805 PolarHBondContact O-N 3.22Å
806	I	92.2	Very high	86.2	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	121.6	165.1	-57.5	172.5	0	0	0	107.7	Y751 T777 L781 Q792 F804 V808 I821 F824	Y751-I806 PolarHBondContact N-O 3.03Å; Y751-I806 PolarHBondContact O-N 3.45Å; T777-I806 HydrophobicContact CG2-CD1 3.92Å; T777-I806 HydrophobicContact CG2-CG1 4.1Å; T777-I806 HydrophobicContact CG2-CG2 4.33Å; L781-I806 HydrophobicContact CD1-CD1 4.22Å; L781-I806 HydrophobicContact CD1-CG2 3.76Å; Q792-I806 CarbonylContact O-C 3.56Å; Q792-I806 WeakPolarHBondContact O-CA 3.31Å; F804-I806 HydrophobicContact CD1-CG1 4.38Å; F804-I806 HydrophobicContact CE1-CD1 3.76Å; F804-I806 HydrophobicContact CE1-CG1 3.54Å; F804-I806 HydrophobicContact CZ-CD1 4.35Å; F804-I806 HydrophobicContact CZ-CG1 3.96Å; I806-V808 HydrophobicContact CG2-CG2 3.91Å; I806-I821 HydrophobicContact CD1-CG2 3.81Å; I806-I821 HydrophobicContact CG2-CD1 4.18Å; I806-I821 HydrophobicContact CG2-CG1 4.34Å; I806-F824 HydrophobicContact CD1-CD1 4.33Å; I806-F824 HydrophobicContact CD1-CE1 4.37Å
807	L	90.4	Very high	86.4	Confident	4 Å²	4	35 Å²	35	2%	0.021	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	123.1	175.4	178.7	62.2	0	0	0	108.9	H637 I749 Y750 V791 Q792	H637-L807 HydrophobicContact CB-CD1 3.95Å; H637-L807 HydrophobicContact CB-CD2 4.1Å; H637-L807 HydrophobicContact CB-CG 4.16Å; I749-L807 WeakPolarHBondContact O-CA 3.21Å; I749-L807 WeakPolarHBondContact O-CD1 3.42Å; Y750-L807 HydrophobicContact CD2-CD1 3.82Å; Y750-L807 HydrophobicContact CG-CD1 4.23Å; V791-L807 CarbonylContact C-O 3.55Å; V791-L807 VanDerWaalsContact CA-O 3.3Å; V791-L807 WeakPolarHBondContact CA-O 3.19Å; Q792-L807 HydrophobicContact CB-CB 4.44Å; Q792-L807 PolarHBondContact N-O 3.18Å; Q792-L807 PolarHBondContact O-N 2.96Å
808	V	87.7	Confident	87	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	132.2	176.3	-177.5	0	0	0	0	110.2	A748 I749 L787 I790 V791 I806 I817 I821	A748-V808 CarbonylContact C-O 3.59Å; A748-V808 WeakPolarHBondContact CA-O 3.3Å; A748-V808 WeakPolarHBondContact CB-O 2.9Å; I749-V808 HydrophobicContact CG2-CB 3.87Å; I749-V808 HydrophobicContact CG2-CG2 4.36Å; I749-V808 PolarHBondContact N-O 2.78Å; I749-V808 PolarHBondContact O-N 3.08Å; L787-V808 HydrophobicContact CB-CG1 4.31Å; I790-V808 CarbonylContact O-C 3.58Å; I790-V808 WeakPolarHBondContact O-CA 3.33Å; V791-V808 HydrophobicContact CG1-CG2 4.34Å; V791-V808 HydrophobicContact CG2-CB 4.46Å; V791-V808 HydrophobicContact CG2-CG1 3.93Å; V791-V808 HydrophobicContact CG2-CG2 4.09Å; I806-V808 HydrophobicContact CG2-CG2 3.91Å; V808-I817 HydrophobicContact CB-CG2 3.67Å; V808-I817 HydrophobicContact CG1-CD1 4.3Å; V808-I817 HydrophobicContact CG1-CG2 3.58Å; V808-I817 HydrophobicContact CG2-CG2 3.93Å; V808-I821 HydrophobicContact CG2-CD1 4.24Å
809	Q	83.3	Confident	88	Confident	22 Å²	22	40.3 Å²	40.3	10%	0.103	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	128.6	166.4	-170.5	177.9	-67.8	0	0	109.5	H637 A746 S747 A748 G788 L789 I790	H637-Q809 HydrophobicContact CB-CB 4.21Å; H637-Q809 PolarHBondContact ND1-OE1 3.21Å; A746-Q809 HydrophobicContact CB-CG 3.81Å; S747-Q809 CarbonylContact O-C 3.47Å; S747-Q809 WeakPolarHBondContact O-CA 3.45Å; S747-Q809 WeakPolarHBondContact O-CG 3.43Å; A748-Q809 HydrophobicContact CB-CB 4.49Å; A748-Q809 HydrophobicContact CB-CG 4.49Å; G788-Q809 CarbonylContact C-O 3.56Å; G788-Q809 WeakPolarHBondContact CA-O 3.26Å; L789-Q809 PolarHBondContact N-O 3.24Å; I790-Q809 HydrophobicContact CB-CB 3.87Å; I790-Q809 HydrophobicContact CD1-CB 4.17Å; I790-Q809 HydrophobicContact CG1-CB 4.18Å; I790-Q809 PolarHBondContact N-O 3.18Å; I790-Q809 PolarHBondContact O-N 3.24Å
810	S	81.3	Confident	88.8	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	156.1	-170.3	-171.3	0	0	0	0	113.5	A746 S747 L787 Y812 I817	A746-S810 CarbonylContact C-O 3.28Å; A746-S810 VanDerWaalsContact CA-O 3.23Å; A746-S810 WeakPolarHBondContact CA-O 3.5Å; A746-S810 WeakPolarHBondContact CB-O 3.34Å; S747-S810 PolarHBondContact N-O 3.19Å; S747-S810 PolarHBondContact O-N 3.02Å; L787-S810 WeakPolarHBondContact O-CB 3.27Å; L787-S810 PolarHBondContact O-OG 2.89Å; S810-Y812 VanDerWaalsContact C-N 3.28Å; S810-Y812 WeakPolarHBondContact OG-CB 3.24Å; S810-Y812 VanDerWaalsContact OG-CD2 3.29Å; S810-Y812 WeakPolarHBondContact OG-CD2 3.39Å; S810-Y812 PolarHBondContact OG-N 2.95Å; S810-I817 VanDerWaalsContact CB-CD1 3.44Å
811	T	80	Confident	89.3	Confident	69 Å²	69	34.2 Å²	34.2	42%	0.423	17%	0.167	S	C	.	.	S	Bend	trans	-74.9	-17.9	162.9	55.6	0	0	0	0	112.7
812	Y	84.3	Confident	89.5	Confident	65 Å²	65	37.3 Å²	37.3	26%	0.255	18%	0.181	S	C	.	.	S	Bend	trans	-70.8	156.9	173.6	-64.8	-64.4	0	0	0	111.9	S747 L787 S810 K816	S747-Y812 PolarHBondContact OG-O 2.66Å; L787-Y812 HydrophobicContact CD2-CD2 4.46Å; S810-Y812 VanDerWaalsContact C-N 3.28Å; S810-Y812 WeakPolarHBondContact OG-CB 3.24Å; S810-Y812 VanDerWaalsContact OG-CD2 3.29Å; S810-Y812 WeakPolarHBondContact OG-CD2 3.39Å; S810-Y812 PolarHBondContact OG-N 2.95Å; Y812-K816 HydrophobicContact CD1-CD 3.71Å; Y812-K816 HydrophobicContact CE1-CD 4.25Å; Y812-K816 HydrophobicContact CG-CD 3.88Å; Y812-K816 VanDerWaalsContact CZ-NZ 3.31Å
813	H	87.5	Confident	89.6	Confident	117 Å²	117	42.4 Å²	42.4	54%	0.542	21%	0.205	S	C	.	.			trans	-68.2	140.8	173	-172	-84	0	0	0	110.9	N815 K816	H813-N815 VanDerWaalsContact C-N 3.26Å; H813-N815 VanDerWaalsContact CE1-CG 3.5Å; H813-N815 PolarHBondContact ND1-N 3.39Å; H813-N815 PolarHBondContact O-N 2.97Å; H813-N815 VanDerWaalsContact O-N 3.09Å; H813-K816 WeakPolarHBondContact O-CB 3.3Å; H813-K816 PolarHBondContact O-N 3.39Å
814	P	90.1	Very high	89.5	Confident	33 Å²	33	42.5 Å²	42.5	21%	0.214	21%	0.206	C	C	.	.	H	α-helix	trans	-51.6	-38.2	-176.2	-30.8	36.9	0	0	0	114.9	S747 K816 I817 D818	S747-P814 WeakPolarHBondContact OG-CD 3.47Å; P814-K816 PolarHBondContact O-N 3.45Å; P814-I817 WeakPolarHBondContact O-CA 3.09Å; P814-I817 WeakPolarHBondContact O-CB 3.29Å; P814-I817 PolarHBondContact O-N 3.05Å; P814-D818 WeakPolarHBondContact O-CB 3.46Å; P814-D818 PolarHBondContact O-N 3.48Å
815	N	91.2	Very high	89.4	Confident	81 Å²	81	43.9 Å²	43.9	43%	0.433	21%	0.213	S	C	.	.	H	α-helix	trans	-58.5	-29.7	177.1	-62.3	3.4	0	0	0	114.4	Q738 H813 K819	Q738-N815 PolarHBondContact NE2-OD1 3.46Å; H813-N815 VanDerWaalsContact C-N 3.26Å; H813-N815 VanDerWaalsContact CE1-CG 3.5Å; H813-N815 PolarHBondContact ND1-N 3.39Å; H813-N815 PolarHBondContact O-N 2.97Å; H813-N815 VanDerWaalsContact O-N 3.09Å; N815-K819 WeakPolarHBondContact O-CG 3.33Å; N815-K819 PolarHBondContact O-N 2.76Å
816	K	89.5	Confident	89.4	Confident	90 Å²	90	49.8 Å²	49.8	39%	0.391	25%	0.245	S	C	.	.	H	α-helix	trans	-72.2	-43.2	174	-179.1	-179.3	172.7	-172.8	0	109.8	Y812 H813 P814 D818 K819 C820	Y812-K816 HydrophobicContact CD1-CD 3.71Å; Y812-K816 HydrophobicContact CE1-CD 4.25Å; Y812-K816 HydrophobicContact CG-CD 3.88Å; Y812-K816 VanDerWaalsContact CZ-NZ 3.31Å; H813-K816 WeakPolarHBondContact O-CB 3.3Å; H813-K816 PolarHBondContact O-N 3.39Å; P814-K816 PolarHBondContact O-N 3.45Å; K816-D818 VanDerWaalsContact C-N 3.34Å; K816-K819 PolarHBondContact O-N 2.92Å; K816-C820 WeakPolarHBondContact O-CB 3.48Å; K816-C820 PolarHBondContact O-N 2.91Å; K816-C820 VanDerWaalsContact O-N 3.15Å; K816-C820 PolarHBondContact O-SG 3.09Å; K816-C820 VanDerWaalsContact O-SG 3.36Å
817	I	90.3	Very high	89.4	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63.1	-43.9	-179.4	-46.7	172.2	0	0	0	110.5	I749 L787 V808 S810 P814 C820 I821	I749-I817 HydrophobicContact CG2-CB 4Å; I749-I817 HydrophobicContact CG2-CD1 4.35Å; I749-I817 HydrophobicContact CG2-CG2 3.5Å; I749-I817 VanDerWaalsContact CG2-CG2 3.5Å; L787-I817 HydrophobicContact CD1-CG2 4.14Å; V808-I817 HydrophobicContact CB-CG2 3.67Å; V808-I817 HydrophobicContact CG1-CD1 4.3Å; V808-I817 HydrophobicContact CG1-CG2 3.58Å; V808-I817 HydrophobicContact CG2-CG2 3.93Å; S810-I817 VanDerWaalsContact CB-CD1 3.44Å; P814-I817 WeakPolarHBondContact O-CA 3.09Å; P814-I817 WeakPolarHBondContact O-CB 3.29Å; P814-I817 PolarHBondContact O-N 3.05Å; I817-C820 WeakPolarHBondContact O-CB 3.21Å; I817-C820 PolarHBondContact O-N 3.14Å; I817-I821 HydrophobicContact CG2-CD1 4.08Å; I817-I821 WeakPolarHBondContact O-CG1 3.44Å; I817-I821 PolarHBondContact O-N 3.23Å
818	D	93	Very high	89.5	Confident	57 Å²	57	52.9 Å²	52.9	31%	0.305	26%	0.264	S	S	.	.	H	α-helix	trans	-55.3	-52	176.1	-175.3	63.8	0	0	0	112.3	I749 Y751 P814 K816 C820 I821 E822	I749-D818 HydrophobicContact CD1-CB 3.81Å; Y751-D818 WeakPolarHBondContact CE2-OD1 3.36Å; P814-D818 WeakPolarHBondContact O-CB 3.46Å; P814-D818 PolarHBondContact O-N 3.48Å; K816-D818 VanDerWaalsContact C-N 3.34Å; D818-C820 VanDerWaalsContact C-N 3.27Å; D818-C820 PolarHBondContact O-N 2.92Å; D818-I821 WeakPolarHBondContact O-CB 3.46Å; D818-I821 PolarHBondContact O-N 3.03Å; D818-I821 VanDerWaalsContact O-N 3.13Å; D818-E822 WeakPolarHBondContact O-CG 3.41Å; D818-E822 PolarHBondContact O-N 3.13Å
819	K	92.6	Very high	89.6	Confident	138 Å²	138	58.2 Å²	58.2	60%	0.6	29%	0.292	S	S	*	.	H	α-helix	trans	-57.3	-41.5	176.1	-72.1	178.6	179.6	-172.7	0	112.8	N815 K816 E822 E823	N815-K819 WeakPolarHBondContact O-CG 3.33Å; N815-K819 PolarHBondContact O-N 2.76Å; K816-K819 PolarHBondContact O-N 2.92Å; K819-E822 PolarHBondContact O-N 2.79Å; K819-E823 WeakPolarHBondContact O-CB 3.37Å; K819-E823 WeakPolarHBondContact O-CG 3.33Å; K819-E823 PolarHBondContact O-N 2.93Å
820	C	91.3	Very high	90	Very high	14 Å²	14	63.4 Å²	63.4	10%	0.095	32%	0.315	C	S	.	.	H	α-helix	trans	-68	-37	179.5	-77.8	0	0	0	0	112.5	L781 L787 K816 I817 D818 E823 F824	L781-C820 HydrophobicContact CD2-CB 4.44Å; L781-C820 WeakPolarHBondContact CD2-O 3.15Å; L787-C820 HydrophobicContact CD1-CB 3.33Å; L787-C820 HydrophobicContact CD2-CB 3.96Å; L787-C820 HydrophobicContact CG-CB 4.17Å; K816-C820 WeakPolarHBondContact O-CB 3.48Å; K816-C820 PolarHBondContact O-N 2.91Å; K816-C820 VanDerWaalsContact O-N 3.15Å; K816-C820 PolarHBondContact O-SG 3.09Å; K816-C820 VanDerWaalsContact O-SG 3.36Å; I817-C820 WeakPolarHBondContact O-CB 3.21Å; I817-C820 PolarHBondContact O-N 3.14Å; D818-C820 VanDerWaalsContact C-N 3.27Å; D818-C820 PolarHBondContact O-N 2.92Å; C820-E823 PolarHBondContact O-N 3.48Å; C820-F824 PolarHBondContact O-N 2.88Å
821	I	92.2	Very high	90.4	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-61.1	-48.1	170.3	-69.9	165.7	0	0	0	110.3	I749 Y751 L781 I806 V808 I817 D818 E823 F824 L825	I749-I821 HydrophobicContact CD1-CD1 4.5Å; I749-I821 HydrophobicContact CG2-CD1 3.9Å; Y751-I821 HydrophobicContact CD1-CG2 4.14Å; Y751-I821 HydrophobicContact CD2-CB 4.49Å; Y751-I821 HydrophobicContact CD2-CD1 4.29Å; Y751-I821 HydrophobicContact CD2-CG2 3.88Å; Y751-I821 HydrophobicContact CE1-CG2 4.37Å; Y751-I821 HydrophobicContact CE2-CG2 4.12Å; Y751-I821 HydrophobicContact CG-CD1 4.39Å; Y751-I821 HydrophobicContact CG-CG2 3.91Å; L781-I821 HydrophobicContact CD1-CG1 3.76Å; L781-I821 HydrophobicContact CD2-CG1 4.25Å; I806-I821 HydrophobicContact CD1-CG2 3.81Å; I806-I821 HydrophobicContact CG2-CD1 4.18Å; I806-I821 HydrophobicContact CG2-CG1 4.34Å; V808-I821 HydrophobicContact CG2-CD1 4.24Å; I817-I821 HydrophobicContact CG2-CD1 4.08Å; I817-I821 WeakPolarHBondContact O-CG1 3.44Å; I817-I821 PolarHBondContact O-N 3.23Å; D818-I821 WeakPolarHBondContact O-CB 3.46Å; D818-I821 PolarHBondContact O-N 3.03Å; D818-I821 VanDerWaalsContact O-N 3.13Å; I821-E823 PolarHBondContact O-N 3.4Å; I821-F824 WeakPolarHBondContact O-CB 3.4Å; I821-F824 PolarHBondContact O-N 2.6Å; I821-L825 HydrophobicContact CG2-CD1 3.99Å; I821-L825 HydrophobicContact CG2-CG 4.3Å; I821-L825 WeakPolarHBondContact O-CG 3.3Å; I821-L825 PolarHBondContact O-N 3.47Å
822	E	92.9	Very high	91	Very high	78 Å²	78	66.2 Å²	66.2	36%	0.364	33%	0.326	S	S	.	.	H	α-helix	trans	-60.9	-44.5	177.6	-68	-68.7	178.1	0	0	112.2	Y751 D818 K819 F824 L825 L826	Y751-E822 PolarHBondContact OH-OE1 3.02Å; D818-E822 WeakPolarHBondContact O-CG 3.41Å; D818-E822 PolarHBondContact O-N 3.13Å; K819-E822 PolarHBondContact O-N 2.79Å; E822-F824 VanDerWaalsContact C-N 3.29Å; E822-F824 PolarHBondContact O-N 3.43Å; E822-L825 PolarHBondContact O-N 3.18Å; E822-L825 VanDerWaalsContact O-N 3.17Å; E822-L826 WeakPolarHBondContact O-CG 3.24Å; E822-L826 PolarHBondContact O-N 2.82Å
823	E	92	Very high	91.4	Very high	107 Å²	107	70.7 Å²	70.7	50%	0.5	35%	0.349	S	S	.	.	H	α-helix	trans	-58	-41.2	174.5	-77.3	173.4	-170.8	0	0	111.9	Q785 K819 C820 I821	Q785-E823 PolarHBondContact NE2-OE2 3.27Å; K819-E823 WeakPolarHBondContact O-CB 3.37Å; K819-E823 WeakPolarHBondContact O-CG 3.33Å; K819-E823 PolarHBondContact O-N 2.93Å; C820-E823 PolarHBondContact O-N 3.48Å; I821-E823 PolarHBondContact O-N 3.4Å
824	F	91.2	Very high	91.7	Very high	3 Å²	3	70.6 Å²	70.6	1%	0.013	35%	0.353	C	S	.	.	H	α-helix	trans	-63.5	-49.1	173.1	163.5	-108.3	0	0	0	111.6	V773 P776 T777 K780 L781 I806 C820 I821 E822 L826 T827 V828	V773-F824 HydrophobicContact CB-CZ 4.47Å; P776-F824 HydrophobicContact CB-CE2 4.09Å; P776-F824 WeakPolarHBondContact O-CE2 3.35Å; T777-F824 HydrophobicContact CG2-CD1 4.31Å; T777-F824 HydrophobicContact CG2-CE1 3.84Å; T777-F824 HydrophobicContact CG2-CZ 4.28Å; T777-F824 WeakPolarHBondContact OG1-CE1 3.4Å; T777-F824 WeakPolarHBondContact OG1-CZ 3.49Å; K780-F824 HydrophobicContact CB-CB 4.31Å; K780-F824 HydrophobicContact CB-CD2 3.54Å; K780-F824 HydrophobicContact CB-CE2 4.28Å; K780-F824 HydrophobicContact CB-CG 4.2Å; K780-F824 HydrophobicContact CG-CB 3.88Å; K780-F824 HydrophobicContact CG-CD2 3.83Å; K780-F824 HydrophobicContact CG-CG 4.26Å; L781-F824 HydrophobicContact CD1-CD1 4.46Å; L781-F824 HydrophobicContact CD2-CB 3.75Å; L781-F824 HydrophobicContact CD2-CG 4.39Å; L781-F824 HydrophobicContact CG-CB 4.29Å; L781-F824 HydrophobicContact CG-CG 4.41Å; I806-F824 HydrophobicContact CD1-CD1 4.33Å; I806-F824 HydrophobicContact CD1-CE1 4.37Å; C820-F824 PolarHBondContact O-N 2.88Å; I821-F824 WeakPolarHBondContact O-CB 3.4Å; I821-F824 PolarHBondContact O-N 2.6Å; E822-F824 VanDerWaalsContact C-N 3.29Å; E822-F824 PolarHBondContact O-N 3.43Å; F824-L826 PolarHBondContact O-N 3.39Å; F824-T827 WeakPolarHBondContact O-CA 3.37Å; F824-T827 WeakPolarHBondContact O-CB 3.42Å; F824-T827 PolarHBondContact O-N 2.93Å; F824-T827 PolarHBondContact O-OG1 2.85Å; F824-V828 HydrophobicContact CE1-CG2 4Å; F824-V828 HydrophobicContact CE2-CG2 4.12Å; F824-V828 HydrophobicContact CZ-CG2 3.74Å; F824-V828 PolarHBondContact O-N 3.09Å
825	L	91.9	Very high	91.8	Very high	31 Å²	31	70.2 Å²	70.2	16%	0.162	35%	0.349	C	S	.	.	H	α-helix	trans	-58.5	-34.8	-179	-69.2	175	0	0	0	112	Y751 L753 I821 E822 T827 V828	Y751-L825 HydrophobicContact CE1-CD1 3.93Å; L753-L825 HydrophobicContact CD1-CD1 4.19Å; L753-L825 HydrophobicContact CD1-CD2 4.32Å; I821-L825 HydrophobicContact CG2-CD1 3.99Å; I821-L825 HydrophobicContact CG2-CG 4.3Å; I821-L825 WeakPolarHBondContact O-CG 3.3Å; I821-L825 PolarHBondContact O-N 3.47Å; E822-L825 PolarHBondContact O-N 3.18Å; E822-L825 VanDerWaalsContact O-N 3.17Å; L825-T827 PolarHBondContact O-N 2.98Å; L825-V828 WeakPolarHBondContact O-CB 3.34Å; L825-V828 PolarHBondContact O-N 3.34Å
826	L	92.4	Very high	91.9	Very high	137 Å²	137	68.8 Å²	68.8	72%	0.717	35%	0.345	S	S	*	.	H	α-helix	trans	-63.2	-26	173.6	-70.1	172.8	0	0	0	113.6	E822 F824	E822-L826 WeakPolarHBondContact O-CG 3.24Å; E822-L826 PolarHBondContact O-N 2.82Å; F824-L826 PolarHBondContact O-N 3.39Å
827	T	92.4	Very high	92.1	Very high	61 Å²	61	70.5 Å²	70.5	37%	0.374	36%	0.358	S	S	.	.	H	α-helix	trans	-82.2	-17.8	176.8	68.2	0	0	0	0	113.6	F824 L825 N829 K830 L831	F824-T827 WeakPolarHBondContact O-CA 3.37Å; F824-T827 WeakPolarHBondContact O-CB 3.42Å; F824-T827 PolarHBondContact O-N 2.93Å; F824-T827 PolarHBondContact O-OG1 2.85Å; L825-T827 PolarHBondContact O-N 2.98Å; T827-N829 PolarHBondContact O-N 3.24Å; T827-K830 PolarHBondContact O-N 3.41Å; T827-L831 PolarHBondContact O-N 3.38Å
828	V	91.8	Very high	92.1	Very high	7 Å²	7	76.9 Å²	76.9	4%	0.042	39%	0.388	C	S	.	.	H	α-helix	trans	-63.1	-39.8	-172.9	174	0	0	0	0	112.2	F769 V773 F824 L825 K830 L831 L832	F769-V828 HydrophobicContact CE2-CG1 3.64Å; F769-V828 HydrophobicContact CZ-CG1 3.94Å; V773-V828 HydrophobicContact CG1-CG1 3.81Å; F824-V828 HydrophobicContact CE1-CG2 4Å; F824-V828 HydrophobicContact CE2-CG2 4.12Å; F824-V828 HydrophobicContact CZ-CG2 3.74Å; F824-V828 PolarHBondContact O-N 3.09Å; L825-V828 WeakPolarHBondContact O-CB 3.34Å; L825-V828 PolarHBondContact O-N 3.34Å; V828-K830 VanDerWaalsContact C-N 3.32Å; V828-K830 PolarHBondContact O-N 3.21Å; V828-L831 WeakPolarHBondContact O-CB 3.42Å; V828-L831 PolarHBondContact O-N 3.01Å; V828-L832 HydrophobicContact CG1-CD1 4.09Å; V828-L832 HydrophobicContact CG1-CG 4.38Å; V828-L832 WeakPolarHBondContact O-CG 3.37Å; V828-L832 PolarHBondContact O-N 2.95Å
829	N	89.7	Confident	91.9	Very high	112 Å²	112	78.1 Å²	78.1	60%	0.599	39%	0.392	S	S	*	.	H	α-helix	trans	-59.7	-45.4	177.5	-75	-21.9	0	0	0	111.5	T827 L832 E833	T827-N829 PolarHBondContact O-N 3.24Å; N829-L832 PolarHBondContact O-N 3.25Å; N829-E833 WeakPolarHBondContact O-CG 3.19Å; N829-E833 PolarHBondContact O-N 2.98Å
830	K	92.6	Very high	91.8	Very high	132 Å²	132	75.4 Å²	75.4	57%	0.574	38%	0.38	S	S	*	.	H	α-helix	trans	-65	-40.8	178	-175.6	176.5	178.3	-175.7	0	111.8	T827 V828 L832 E833 D834	T827-K830 PolarHBondContact O-N 3.41Å; V828-K830 VanDerWaalsContact C-N 3.32Å; V828-K830 PolarHBondContact O-N 3.21Å; K830-L832 VanDerWaalsContact C-N 3.27Å; K830-L832 PolarHBondContact O-N 3Å; K830-E833 PolarHBondContact O-N 3.31Å; K830-D834 WeakPolarHBondContact CE-OD2 3.36Å; K830-D834 WeakPolarHBondContact CG-OD2 3.33Å; K830-D834 WeakPolarHBondContact O-CB 3.37Å; K830-D834 PolarHBondContact O-N 3.25Å
831	L	89.8	Confident	91.8	Very high	58 Å²	58	78.8 Å²	78.8	30%	0.304	40%	0.397	S	S	.	.	H	α-helix	trans	-56.4	-43.2	174.6	-179.2	90	0	0	0	111.5	I772 P776 T827 V828 M835	I772-L831 HydrophobicContact CG2-CD2 4.16Å; P776-L831 HydrophobicContact CB-CD1 4.36Å; P776-L831 HydrophobicContact CB-CD2 4.01Å; P776-L831 HydrophobicContact CG-CD1 4.05Å; P776-L831 HydrophobicContact CG-CD2 3.72Å; T827-L831 PolarHBondContact O-N 3.38Å; V828-L831 WeakPolarHBondContact O-CB 3.42Å; V828-L831 PolarHBondContact O-N 3.01Å; L831-M835 PolarHBondContact O-N 2.73Å
832	L	91.8	Very high	91.6	Very high	69 Å²	69	81.6 Å²	81.6	36%	0.361	41%	0.414	S	S	.	.	H	α-helix	trans	-71.3	-35.2	179	-65.1	173.4	0	0	0	112.6	F769 I772 V828 N829 K830	F769-L832 HydrophobicContact CD2-CD1 4.49Å; F769-L832 HydrophobicContact CE2-CD1 4.39Å; I772-L832 HydrophobicContact CD1-CD2 4.13Å; I772-L832 HydrophobicContact CG2-CD2 3.7Å; V828-L832 HydrophobicContact CG1-CD1 4.09Å; V828-L832 HydrophobicContact CG1-CG 4.38Å; V828-L832 WeakPolarHBondContact O-CG 3.37Å; V828-L832 PolarHBondContact O-N 2.95Å; N829-L832 PolarHBondContact O-N 3.25Å; K830-L832 VanDerWaalsContact C-N 3.27Å; K830-L832 PolarHBondContact O-N 3Å
833	E	93.3	Very high	91.4	Very high	160 Å²	160	78.5 Å²	78.5	75%	0.748	40%	0.4	S	S	*	.	H	α-helix	trans	-72.4	-35.7	177.3	-73.5	174.9	177.5	0	0	113.2	N829 K830	N829-E833 WeakPolarHBondContact O-CG 3.19Å; N829-E833 PolarHBondContact O-N 2.98Å; K830-E833 PolarHBondContact O-N 3.31Å
834	D	93.6	Very high	91.4	Very high	114 Å²	114	75.2 Å²	75.2	61%	0.61	39%	0.387	S	S	*	.	H	α-helix	trans	-83.5	-12.3	-177.6	-71.3	-19.1	0	0	0	112.9	K830	K830-D834 WeakPolarHBondContact CE-OD2 3.36Å; K830-D834 WeakPolarHBondContact CG-OD2 3.33Å; K830-D834 WeakPolarHBondContact O-CB 3.37Å; K830-D834 PolarHBondContact O-N 3.25Å
835	M	92.6	Very high	91.2	Very high	26 Å²	26	80.4 Å²	80.4	13%	0.128	41%	0.411	C	S	.	.			trans	-68.1	131.7	-178.7	-178.3	178.2	-67.5	0	0	111.5	I772 L831 E839 F840	I772-M835 HydrophobicContact CB-CE 4.38Å; I772-M835 HydrophobicContact CD1-CE 4.47Å; I772-M835 HydrophobicContact CD1-SD 4.44Å; I772-M835 HydrophobicContact CG1-CE 4.17Å; I772-M835 HydrophobicContact CG2-CE 3.43Å; I772-M835 VanDerWaalsContact CG2-CE 3.43Å; L831-M835 PolarHBondContact O-N 2.73Å; M835-E839 HydrophobicContact CE-CG 4.44Å; M835-E839 HydrophobicContact CG-CB 3.91Å; M835-E839 HydrophobicContact CG-CG 3.94Å; M835-E839 HydrophobicContact SD-CG 4.34Å; M835-F840 HydrophobicContact CG-CB 4.23Å; M835-F840 VanDerWaalsContact SD-CA 3.57Å; M835-F840 HydrophobicContact SD-CB 3.75Å; M835-F840 HydrophobicContact SD-CD2 4.01Å; M835-F840 HydrophobicContact SD-CG 4.4Å
836	S	93.6	Very high	90.8	Very high	51 Å²	51	79.1 Å²	79.1	36%	0.357	41%	0.405	S	S	.	.			trans	-75.9	156.9	175.8	93.8	0	0	0	0	112	E838 E839 F840	S836-E838 WeakPolarHBondContact CB-OE2 3.29Å; S836-E838 PolarHBondContact O-N 3.49Å; S836-E838 PolarHBondContact OG-N 3.17Å; S836-E838 PolarHBondContact OG-OE2 2.89Å; S836-E839 PolarHBondContact O-N 3.16Å; S836-E839 PolarHBondContact OG-N 3.33Å; S836-F840 PolarHBondContact O-N 2.91Å
837	D	93.1	Very high	90.5	Very high	125 Å²	125	73.2 Å²	73.2	67%	0.668	37%	0.374	S	S	*	.	H	α-helix	trans	-58.9	-34.2	176.2	-74	-24.8	0	0	0	111.8	N841	D837-N841 WeakPolarHBondContact O-CB 3.49Å; D837-N841 VanDerWaalsContact O-CG 3.29Å; D837-N841 PolarHBondContact O-N 3.44Å; D837-N841 PolarHBondContact O-ND2 3.27Å
838	E	90.4	Very high	90.2	Very high	135 Å²	135	73.8 Å²	73.8	63%	0.631	38%	0.375	S	S	*	.	H	α-helix	trans	-65	-47.5	175.9	-60.9	78.2	-169.7	0	0	111.8	S836 N841 V842	S836-E838 WeakPolarHBondContact CB-OE2 3.29Å; S836-E838 PolarHBondContact O-N 3.49Å; S836-E838 PolarHBondContact OG-N 3.17Å; S836-E838 PolarHBondContact OG-OE2 2.89Å; E838-N841 PolarHBondContact O-N 3.41Å; E838-V842 WeakPolarHBondContact O-CG2 3.19Å; E838-V842 PolarHBondContact O-N 2.9Å
839	E	88.4	Confident	89.7	Confident	82 Å²	82	75.4 Å²	75.4	38%	0.383	39%	0.385	S	S	.	.	H	α-helix	trans	-64	-42.8	178.1	-177.6	172.5	-157.9	0	0	111.4	M835 S836 N841 V842 H843	M835-E839 HydrophobicContact CE-CG 4.44Å; M835-E839 HydrophobicContact CG-CB 3.91Å; M835-E839 HydrophobicContact CG-CG 3.94Å; M835-E839 HydrophobicContact SD-CG 4.34Å; S836-E839 PolarHBondContact O-N 3.16Å; S836-E839 PolarHBondContact OG-N 3.33Å; E839-N841 VanDerWaalsContact C-N 3.33Å; E839-N841 PolarHBondContact O-N 2.9Å; E839-V842 WeakPolarHBondContact O-CB 3.49Å; E839-V842 PolarHBondContact O-N 3.49Å; E839-V842 VanDerWaalsContact O-N 3.16Å; E839-H843 PolarHBondContact O-CD2 3.02Å; E839-H843 VanDerWaalsContact O-CD2 3.31Å; E839-H843 PolarHBondContact O-N 2.63Å; E839-H843 VanDerWaalsContact O-N 3.17Å
840	F	91.6	Very high	89.2	Confident	81 Å²	81	73.7 Å²	73.7	36%	0.355	37%	0.373	S	S	.	.	H	α-helix	trans	-58.4	-45.7	174.7	179.9	-98.5	0	0	0	111.8	L768 I772 M835 S836 V842 H843 V844	L768-F840 HydrophobicContact CD2-CE2 3.8Å; L768-F840 HydrophobicContact CD2-CZ 3.64Å; L768-F840 HydrophobicContact CG-CE2 4.38Å; I772-F840 HydrophobicContact CD1-CD2 4.11Å; I772-F840 HydrophobicContact CD1-CE2 4.1Å; M835-F840 HydrophobicContact CG-CB 4.23Å; M835-F840 VanDerWaalsContact SD-CA 3.57Å; M835-F840 HydrophobicContact SD-CB 3.75Å; M835-F840 HydrophobicContact SD-CD2 4.01Å; M835-F840 HydrophobicContact SD-CG 4.4Å; S836-F840 PolarHBondContact O-N 2.91Å; F840-V842 VanDerWaalsContact C-N 3.29Å; F840-V842 PolarHBondContact O-N 3.31Å; F840-H843 PolarHBondContact O-N 3.17Å; F840-H843 VanDerWaalsContact O-N 3.16Å; F840-V844 HydrophobicContact CD1-CG2 4.04Å; F840-V844 HydrophobicContact CE1-CG2 3.66Å; F840-V844 HydrophobicContact CZ-CG2 4.02Å; F840-V844 WeakPolarHBondContact O-CG2 3.44Å; F840-V844 PolarHBondContact O-N 3.24Å
841	N	91.6	Very high	88.7	Confident	85 Å²	85	69.6 Å²	69.6	46%	0.455	36%	0.357	S	S	.	.	H	α-helix	trans	-64.1	-33	178.1	-80	-52.8	0	0	0	112.6	D837 E838 E839 V844 Q845	D837-N841 WeakPolarHBondContact O-CB 3.49Å; D837-N841 VanDerWaalsContact O-CG 3.29Å; D837-N841 PolarHBondContact O-N 3.44Å; D837-N841 PolarHBondContact O-ND2 3.27Å; E838-N841 PolarHBondContact O-N 3.41Å; E839-N841 VanDerWaalsContact C-N 3.33Å; E839-N841 PolarHBondContact O-N 2.9Å; N841-V844 PolarHBondContact O-N 3.46Å; N841-Q845 WeakPolarHBondContact O-CG 3.48Å; N841-Q845 PolarHBondContact O-N 3.23Å
842	V	87.9	Confident	88.5	Confident	59 Å²	59	71.5 Å²	71.5	36%	0.358	37%	0.367	S	S	.	.	H	α-helix	trans	-61.3	-46	172.4	170.8	0	0	0	0	110.8	D96 E838 E839 F840 V844 Q845 S846	D96-V842 HydrophobicContact CB-CG1 4.19Å; D96-V842 VanDerWaalsContact O-CG1 3.29Å; D96-V842 WeakPolarHBondContact O-CG1 3.08Å; E838-V842 WeakPolarHBondContact O-CG2 3.19Å; E838-V842 PolarHBondContact O-N 2.9Å; E839-V842 WeakPolarHBondContact O-CB 3.49Å; E839-V842 PolarHBondContact O-N 3.49Å; E839-V842 VanDerWaalsContact O-N 3.16Å; F840-V842 VanDerWaalsContact C-N 3.29Å; F840-V842 PolarHBondContact O-N 3.31Å; V842-V844 VanDerWaalsContact C-N 3.34Å; V842-V844 PolarHBondContact O-N 2.99Å; V842-Q845 PolarHBondContact O-N 3.41Å; V842-S846 WeakPolarHBondContact O-CB 3.47Å; V842-S846 PolarHBondContact O-N 3.23Å
843	H	88.7	Confident	88	Confident	14 Å²	14	69.3 Å²	69.3	7%	0.065	36%	0.355	C	S	.	.	H	α-helix	trans	-61.7	-41	175.1	-73.5	-69.5	0	0	0	112.5	L768 Q771 I772 E839 F840 S846 L847	L768-H843 HydrophobicContact CD1-CB 4.46Å; Q771-H843 HydrophobicContact CG-CB 4.03Å; Q771-H843 PolarHBondContact O-ND1 2.76Å; I772-H843 HydrophobicContact CG1-CB 3.96Å; E839-H843 PolarHBondContact O-CD2 3.02Å; E839-H843 VanDerWaalsContact O-CD2 3.31Å; E839-H843 PolarHBondContact O-N 2.63Å; E839-H843 VanDerWaalsContact O-N 3.17Å; F840-H843 PolarHBondContact O-N 3.17Å; F840-H843 VanDerWaalsContact O-N 3.16Å; H843-S846 PolarHBondContact O-N 3.33Å; H843-L847 WeakPolarHBondContact O-CB 3.43Å; H843-L847 PolarHBondContact O-N 3.07Å
844	V	91.3	Very high	87.5	Confident	37 Å²	37	66.2 Å²	66.2	22%	0.224	34%	0.339	C	S	.	.	H	α-helix	trans	-61.1	-48.7	175.8	172.2	0	0	0	0	111.1	L768 F840 N841 V842 S846 L847 L848	L768-V844 HydrophobicContact CD1-CG2 3.89Å; L768-V844 HydrophobicContact CD2-CG2 4.39Å; F840-V844 HydrophobicContact CD1-CG2 4.04Å; F840-V844 HydrophobicContact CE1-CG2 3.66Å; F840-V844 HydrophobicContact CZ-CG2 4.02Å; F840-V844 WeakPolarHBondContact O-CG2 3.44Å; F840-V844 PolarHBondContact O-N 3.24Å; N841-V844 PolarHBondContact O-N 3.46Å; V842-V844 VanDerWaalsContact C-N 3.34Å; V842-V844 PolarHBondContact O-N 2.99Å; V844-S846 PolarHBondContact O-N 2.91Å; V844-L847 PolarHBondContact O-N 2.88Å; V844-L848 HydrophobicContact CG1-CD1 4.02Å; V844-L848 HydrophobicContact CG1-CG 4.45Å; V844-L848 WeakPolarHBondContact O-CG 3.41Å; V844-L848 PolarHBondContact O-N 2.72Å
845	Q	86.9	Confident	87.1	Confident	112 Å²	112	61.1 Å²	61.1	52%	0.523	31%	0.312	S	S	.	.	H	α-helix	trans	-62.9	-42.9	178.2	-68.3	-54.8	-40.6	0	0	111.6	N841 V842 L847 L848 T849	N841-Q845 WeakPolarHBondContact O-CG 3.48Å; N841-Q845 PolarHBondContact O-N 3.23Å; V842-Q845 PolarHBondContact O-N 3.41Å; Q845-L847 VanDerWaalsContact C-N 3.32Å; Q845-L847 PolarHBondContact O-N 3.2Å; Q845-L848 WeakPolarHBondContact O-CB 3.31Å; Q845-L848 PolarHBondContact O-N 3.17Å; Q845-T849 PolarHBondContact O-N 3.24Å; Q845-T849 PolarHBondContact O-OG1 3.01Å; Q845-T849 VanDerWaalsContact O-OG1 3.07Å
846	S	83.5	Confident	86.5	Confident	5 Å²	5	67.1 Å²	67.1	4%	0.035	34%	0.338	C	S	.	.	H	α-helix	trans	-60.7	-41.1	175.9	174.8	0	0	0	0	112.3	G98 Q771 V842 H843 V844 H850	G98-S846 VanDerWaalsContact CA-OG 3.25Å; G98-S846 WeakPolarHBondContact CA-OG 3.45Å; G98-S846 PolarHBondContact N-OG 3.43Å; Q771-S846 PolarHBondContact NE2-OG 3.36Å; V842-S846 WeakPolarHBondContact O-CB 3.47Å; V842-S846 PolarHBondContact O-N 3.23Å; H843-S846 PolarHBondContact O-N 3.33Å; V844-S846 PolarHBondContact O-N 2.91Å; S846-H850 PolarHBondContact O-N 2.93Å; S846-H850 VanDerWaalsContact O-N 3.14Å
847	L	86.2	Confident	86.1	Confident	13 Å²	13	65.7 Å²	65.7	7%	0.068	33%	0.331	C	S	.	.	H	α-helix	trans	-66.3	-42	175.7	178.1	61.5	0	0	0	111.3	H767 L768 Q771 H843 V844 Q845 H850 L851	H767-L847 HydrophobicContact CB-CD1 3.94Å; H767-L847 HydrophobicContact CB-CD2 3.88Å; L768-L847 HydrophobicContact CB-CD2 4.04Å; L768-L847 HydrophobicContact CD1-CD2 4.35Å; Q771-L847 HydrophobicContact CG-CB 4.32Å; H843-L847 WeakPolarHBondContact O-CB 3.43Å; H843-L847 PolarHBondContact O-N 3.07Å; V844-L847 PolarHBondContact O-N 2.88Å; Q845-L847 VanDerWaalsContact C-N 3.32Å; Q845-L847 PolarHBondContact O-N 3.2Å; L847-H850 PolarHBondContact O-N 2.88Å; L847-L851 HydrophobicContact CD1-CD1 3.88Å; L847-L851 HydrophobicContact CD1-CD2 4.44Å; L847-L851 HydrophobicContact CD1-CG 3.85Å; L847-L851 HydrophobicContact CD2-CD1 4.32Å; L847-L851 HydrophobicContact CG-CD1 3.79Å; L847-L851 HydrophobicContact CG-CG 4.18Å; L847-L851 WeakPolarHBondContact O-CB 3.48Å; L847-L851 WeakPolarHBondContact O-CG 3.32Å; L847-L851 PolarHBondContact O-N 2.99Å
848	L	86.8	Confident	86	Confident	73 Å²	73	60.2 Å²	60.2	38%	0.382	30%	0.301	S	S	.	.	H	α-helix	trans	-60	-46.5	175.9	-74.8	170.7	0	0	0	111.5	V844 Q845 H850 L851 L852	V844-L848 HydrophobicContact CG1-CD1 4.02Å; V844-L848 HydrophobicContact CG1-CG 4.45Å; V844-L848 WeakPolarHBondContact O-CG 3.41Å; V844-L848 PolarHBondContact O-N 2.72Å; Q845-L848 WeakPolarHBondContact O-CB 3.31Å; Q845-L848 PolarHBondContact O-N 3.17Å; L848-H850 VanDerWaalsContact C-N 3.26Å; L848-H850 PolarHBondContact O-N 3.21Å; L848-L851 PolarHBondContact O-N 3.41Å; L848-L852 VanDerWaalsContact O-CB 3.24Å; L848-L852 WeakPolarHBondContact O-CB 3.33Å; L848-L852 VanDerWaalsContact O-CG 3.3Å; L848-L852 WeakPolarHBondContact O-CG 3.46Å; L848-L852 PolarHBondContact O-N 3.15Å
849	T	81	Confident	85.9	Confident	41 Å²	41	57.8 Å²	57.8	25%	0.252	29%	0.29	S	S	.	.	H	α-helix	trans	-56.5	-42.7	175.4	-57.1	0	0	0	0	111.3	A117 Q845 E853	A117-T849 HydrophobicContact CB-CG2 4.4Å; Q845-T849 PolarHBondContact O-N 3.24Å; Q845-T849 PolarHBondContact O-OG1 3.01Å; Q845-T849 VanDerWaalsContact O-OG1 3.07Å; T849-E853 PolarHBondContact O-N 3.25Å
850	H	79.7	Confident	85.8	Confident	75 Å²	75	56.1 Å²	56.1	35%	0.347	28%	0.284	S	S	.	.	H	α-helix	trans	-70.5	-43.9	179.3	-176.2	57.7	0	0	0	113.2	S846 L847 L848 E853	S846-H850 PolarHBondContact O-N 2.93Å; S846-H850 VanDerWaalsContact O-N 3.14Å; L847-H850 PolarHBondContact O-N 2.88Å; L848-H850 VanDerWaalsContact C-N 3.26Å; L848-H850 PolarHBondContact O-N 3.21Å; H850-E853 WeakPolarHBondContact O-CB 3.47Å
851	L	81.9	Confident	85.7	Confident	47 Å²	47	54.5 Å²	54.5	25%	0.246	28%	0.275	C	S	.	.	H	α-helix	trans	-69.3	-35.1	-179.2	-71.4	177.1	0	0	0	112.6	L847 L848 Q879	L847-L851 HydrophobicContact CD1-CD1 3.88Å; L847-L851 HydrophobicContact CD1-CD2 4.44Å; L847-L851 HydrophobicContact CD1-CG 3.85Å; L847-L851 HydrophobicContact CD2-CD1 4.32Å; L847-L851 HydrophobicContact CG-CD1 3.79Å; L847-L851 HydrophobicContact CG-CG 4.18Å; L847-L851 WeakPolarHBondContact O-CB 3.48Å; L847-L851 WeakPolarHBondContact O-CG 3.32Å; L847-L851 PolarHBondContact O-N 2.99Å; L848-L851 PolarHBondContact O-N 3.41Å; L851-Q879 WeakPolarHBondContact O-CB 3.42Å; L851-Q879 VanDerWaalsContact O-CD 3.3Å; L851-Q879 WeakPolarHBondContact O-CG 3.37Å; L851-Q879 PolarHBondContact O-NE2 3.25Å
852	L	84.1	Confident	85.8	Confident	98 Å²	98	50.6 Å²	50.6	51%	0.513	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-2.8	-178.8	-62.7	175.1	0	0	0	113.6	L848 K854	L848-L852 VanDerWaalsContact O-CB 3.24Å; L848-L852 WeakPolarHBondContact O-CB 3.33Å; L848-L852 VanDerWaalsContact O-CG 3.3Å; L848-L852 WeakPolarHBondContact O-CG 3.46Å; L848-L852 PolarHBondContact O-N 3.15Å; L852-K854 PolarHBondContact O-N 3.31Å; L852-K854 VanDerWaalsContact O-N 3.11Å
853	E	81.1	Confident	85.9	Confident	22 Å²	22	48.3 Å²	48.3	10%	0.103	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-54	117.6	177.2	-175.3	172.2	-177	0	0	110.1	D47 T849 H850 K856 R864	D47-E853 HydrophobicContact CB-CG 4.42Å; T849-E853 PolarHBondContact O-N 3.25Å; H850-E853 WeakPolarHBondContact O-CB 3.47Å; E853-K856 WeakPolarHBondContact OE1-CE 3.22Å; E853-K856 IonicContact OE1-NZ 2.71Å; E853-K856 PolarHBondContact OE1-NZ 3.49Å; E853-R864 PolarHBondContact O-NH1 2.89Å; E853-R864 PolarHBondContact O-NH2 2.8Å
854	K	83.8	Confident	85.8	Confident	95 Å²	95	50.6 Å²	50.6	41%	0.413	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-65.6	149.6	-179.9	-64.1	173.1	-172.3	165.8	0	109.7	E45 D47 L852 K856	E45-K854 IonicContact OE2-NZ 3.87Å; E45-K854 PolarHBondContact OE2-NZ 3.32Å; D47-K854 VanDerWaalsContact OD2-CB 3.3Å; D47-K854 WeakPolarHBondContact OD2-CB 3.25Å; D47-K854 WeakPolarHBondContact OD2-CG 3.28Å; D47-K854 PolarHBondContact OD2-N 3.38Å; L852-K854 PolarHBondContact O-N 3.31Å; L852-K854 VanDerWaalsContact O-N 3.11Å; K854-K856 PolarHBondContact O-N 3.4Å
855	P	84.7	Confident	85.8	Confident	8 Å²	8	49.1 Å²	49.1	5%	0.052	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-61.4	125.7	175.4	-20.6	33.2	0	0	0	111.3	F557 G857 D860 R861	F557-P855 WeakPolarHBondContact CE1-O 3.21Å; F557-P855 HydrophobicContact CZ-CB 4.29Å; F557-P855 VanDerWaalsContact CZ-O 3.3Å; F557-P855 WeakPolarHBondContact CZ-O 3.38Å; P855-G857 PolarHBondContact O-N 2.95Å; P855-G857 VanDerWaalsContact O-N 3.13Å; P855-D860 VanDerWaalsContact CA-OD2 3.28Å; P855-D860 WeakPolarHBondContact CA-OD2 3.13Å; P855-D860 HydrophobicContact CB-CB 4.13Å; P855-R861 HydrophobicContact CB-CB 3.91Å; P855-R861 HydrophobicContact CG-CB 4.2Å
856	K	79.9	Confident	86	Confident	152 Å²	152	44.8 Å²	44.8	66%	0.661	22%	0.22	S	C	*	.	S	Bend	trans	-71.1	-8.2	-176.8	-69.3	176.4	178.9	155.2	0	114.4	E853 K854	E853-K856 WeakPolarHBondContact OE1-CE 3.22Å; E853-K856 IonicContact OE1-NZ 2.71Å; E853-K856 PolarHBondContact OE1-NZ 3.49Å; K854-K856 PolarHBondContact O-N 3.4Å
857	G	86.1	Confident	86.1	Confident	21 Å²	21	47.3 Å²	47.3	22%	0.216	24%	0.238	C	C	.	.	S	Bend	trans	-175.1	166.7	179.9	0	0	0	0	0	112.1	P855 Q859 D860 R861	P855-G857 PolarHBondContact O-N 2.95Å; P855-G857 VanDerWaalsContact O-N 3.13Å; G857-Q859 PolarHBondContact O-N 3.48Å; G857-D860 PolarHBondContact O-N 2.95Å; G857-R861 PolarHBondContact O-N 3.02Å; G857-R861 VanDerWaalsContact O-N 3.15Å
858	M	90	Very high	86.2	Confident	9 Å²	9	47.7 Å²	47.7	4%	0.044	24%	0.24	C	C	.	.	H	α-helix	trans	-52.3	-34.4	-179.1	-64.3	-176	87	0	0	113.7	D554 F557 L559 K561 F563 Y688 F862	D554-M858 HydrophobicContact CB-CE 3.78Å; F557-M858 HydrophobicContact CB-CG 3.74Å; F557-M858 HydrophobicContact CD2-CB 4.16Å; F557-M858 HydrophobicContact CD2-CG 3.38Å; F557-M858 HydrophobicContact CE2-CG 4.22Å; F557-M858 HydrophobicContact CG-CG 3.69Å; L559-M858 HydrophobicContact CB-SD 3.89Å; L559-M858 HydrophobicContact CD1-CG 4.48Å; L559-M858 HydrophobicContact CD1-SD 4.2Å; K561-M858 HydrophobicContact CB-CE 4.47Å; K561-M858 HydrophobicContact CB-SD 3.83Å; K561-M858 WeakPolarHBondContact O-CE 3.37Å; F563-M858 HydrophobicContact CD2-CB 4.18Å; F563-M858 HydrophobicContact CD2-CE 4.4Å; F563-M858 HydrophobicContact CE2-CB 3.45Å; F563-M858 VanDerWaalsContact CE2-CB 3.45Å; F563-M858 HydrophobicContact CE2-CE 4.41Å; F563-M858 HydrophobicContact CE2-CG 4.47Å; F563-M858 HydrophobicContact CE2-SD 4.22Å; F563-M858 HydrophobicContact CZ-CB 4.19Å; Y688-M858 HydrophobicContact CE1-CB 3.91Å; Y688-M858 HydrophobicContact CE1-CE 4.04Å; Y688-M858 HydrophobicContact CE1-CG 4.38Å; Y688-M858 WeakPolarHBondContact CE1-O 3.49Å; M858-F862 VanDerWaalsContact O-CB 3.24Å; M858-F862 WeakPolarHBondContact O-CB 3.38Å; M858-F862 PolarHBondContact O-N 3.34Å
859	Q	89.3	Confident	86.4	Confident	85 Å²	85	44.2 Å²	44.2	40%	0.397	22%	0.221	S	C	.	.	H	α-helix	trans	-68.8	-39.9	-179.9	175.5	160	-9	0	0	113	Y184 F563 G857 G863	Y184-Q859 PolarHBondContact OH-NE2 3.29Å; F563-Q859 HydrophobicContact CE1-CB 4.14Å; F563-Q859 HydrophobicContact CZ-CB 4.01Å; G857-Q859 PolarHBondContact O-N 3.48Å; Q859-G863 PolarHBondContact O-N 3.1Å
860	D	86	Confident	86.5	Confident	47 Å²	47	43.7 Å²	43.7	25%	0.251	22%	0.221	S	C	.	.	H	α-helix	trans	-66.9	-46.8	175.1	-179.1	20.6	0	0	0	109.8	P855 G857 F862 G863 R864	P855-D860 VanDerWaalsContact CA-OD2 3.28Å; P855-D860 WeakPolarHBondContact CA-OD2 3.13Å; P855-D860 HydrophobicContact CB-CB 4.13Å; G857-D860 PolarHBondContact O-N 2.95Å; D860-F862 VanDerWaalsContact C-N 3.3Å; D860-F862 PolarHBondContact O-N 3.11Å; D860-G863 WeakPolarHBondContact O-CA 3.37Å; D860-G863 PolarHBondContact O-N 3.03Å; D860-R864 PolarHBondContact O-N 3.49Å; D860-R864 IonicContact OD1-NE 3.82Å; D860-R864 PolarHBondContact OD1-NE 3.36Å; D860-R864 IonicContact OD1-NH2 3.82Å; D860-R864 IonicContact OD2-CZ 3.67Å; D860-R864 IonicContact OD2-NE 3.59Å; D860-R864 PolarHBondContact OD2-NE 3.31Å; D860-R864 IonicContact OD2-NH2 2.71Å; D860-R864 PolarHBondContact OD2-NH2 3.33Å
861	R	90.1	Very high	86.4	Confident	46 Å²	46	41.1 Å²	41.1	17%	0.174	21%	0.212	C	C	.	.	H	α-helix	trans	-53.8	-48.3	174.7	-174.9	72.2	-174.3	-174.8	1.8	111.3	E536 F557 Y688 P855 G857 G863 R864 L865	E536-R861 PolarHBondContact O-NH2 3.31Å; E536-R861 VanDerWaalsContact O-NH2 3.11Å; F557-R861 HydrophobicContact CE2-CB 4.02Å; F557-R861 HydrophobicContact CE2-CG 4.5Å; Y688-R861 HydrophobicContact CE1-CB 4.24Å; Y688-R861 HydrophobicContact CE1-CG 4.25Å; Y688-R861 HydrophobicContact CE2-CG 4.25Å; P855-R861 HydrophobicContact CB-CB 3.91Å; P855-R861 HydrophobicContact CG-CB 4.2Å; G857-R861 PolarHBondContact O-N 3.02Å; G857-R861 VanDerWaalsContact O-N 3.15Å; R861-G863 PolarHBondContact O-N 2.88Å; R861-R864 PolarHBondContact O-N 3.29Å; R861-L865 HydrophobicContact CG-CD1 4.26Å; R861-L865 VanDerWaalsContact O-CG 3.32Å; R861-L865 WeakPolarHBondContact O-CG 3.09Å; R861-L865 PolarHBondContact O-N 3Å; R861-L865 VanDerWaalsContact O-N 3.1Å
862	F	92.5	Very high	86.6	Confident	4 Å²	4	41.5 Å²	41.5	2%	0.018	21%	0.21	C	C	.	.	H	α-helix	trans	-60.3	-42.9	176.5	-177.4	-97.4	0	0	0	112.6	F563 K565 L686 Y688 M858 D860 L865 W866	F563-F862 HydrophobicContact CB-CB 4.46Å; F563-F862 HydrophobicContact CB-CD1 4.46Å; F563-F862 HydrophobicContact CB-CD2 3.41Å; F563-F862 VanDerWaalsContact CB-CD2 3.41Å; F563-F862 HydrophobicContact CB-CE2 3.6Å; F563-F862 HydrophobicContact CB-CG 3.85Å; F563-F862 HydrophobicContact CB-CZ 4.23Å; F563-F862 HydrophobicContact CD1-CB 4.43Å; F563-F862 HydrophobicContact CD1-CD1 4.3Å; F563-F862 HydrophobicContact CD1-CG 4.17Å; F563-F862 HydrophobicContact CG-CB 4.3Å; F563-F862 HydrophobicContact CG-CD2 4.13Å; F563-F862 HydrophobicContact CG-CG 4.09Å; K565-F862 HydrophobicContact CB-CE1 4.28Å; K565-F862 HydrophobicContact CB-CZ 3.58Å; K565-F862 HydrophobicContact CD-CE1 4.32Å; K565-F862 HydrophobicContact CD-CZ 4.37Å; L686-F862 HydrophobicContact CB-CE2 4.21Å; L686-F862 HydrophobicContact CD2-CD2 3.73Å; L686-F862 HydrophobicContact CD2-CE2 3.55Å; L686-F862 HydrophobicContact CD2-CZ 4.24Å; L686-F862 HydrophobicContact CG-CD2 4.27Å; L686-F862 HydrophobicContact CG-CE2 3.77Å; Y688-F862 HydrophobicContact CD1-CB 3.97Å; Y688-F862 HydrophobicContact CD1-CD2 4.03Å; Y688-F862 HydrophobicContact CE1-CB 4.41Å; Y688-F862 HydrophobicContact CG-CD2 4.39Å; M858-F862 VanDerWaalsContact O-CB 3.24Å; M858-F862 WeakPolarHBondContact O-CB 3.38Å; M858-F862 PolarHBondContact O-N 3.34Å; D860-F862 VanDerWaalsContact C-N 3.3Å; D860-F862 PolarHBondContact O-N 3.11Å; F862-L865 PolarHBondContact O-N 3.11Å; F862-W866 HydrophobicContact CE1-CB 4.45Å; F862-W866 VanDerWaalsContact O-CB 3.26Å; F862-W866 WeakPolarHBondContact O-CB 3.34Å; F862-W866 PolarHBondContact O-N 2.95Å
863	G	89.6	Confident	86.5	Confident	11 Å²	11	39.5 Å²	39.5	11%	0.113	20%	0.198	C	C	.	.	H	α-helix	trans	-60	-47.2	177.6	0	0	0	0	0	112.6	Q859 D860 R861 W866 S867	Q859-G863 PolarHBondContact O-N 3.1Å; D860-G863 WeakPolarHBondContact O-CA 3.37Å; D860-G863 PolarHBondContact O-N 3.03Å; R861-G863 PolarHBondContact O-N 2.88Å; G863-W866 PolarHBondContact O-N 2.96Å; G863-S867 WeakPolarHBondContact O-CB 3.34Å; G863-S867 PolarHBondContact O-N 3.02Å
864	R	87.7	Confident	86.9	Confident	62 Å²	62	41.3 Å²	41.3	23%	0.234	20%	0.204	C	C	.	.	H	α-helix	trans	-61	-48.6	177.2	-64.7	-175.7	-165.1	-168.9	4	111.8	E853 D860 R861 S867 E868 Q879	E853-R864 PolarHBondContact O-NH1 2.89Å; E853-R864 PolarHBondContact O-NH2 2.8Å; D860-R864 PolarHBondContact O-N 3.49Å; D860-R864 IonicContact OD1-NE 3.82Å; D860-R864 PolarHBondContact OD1-NE 3.36Å; D860-R864 IonicContact OD1-NH2 3.82Å; D860-R864 IonicContact OD2-CZ 3.67Å; D860-R864 IonicContact OD2-NE 3.59Å; D860-R864 PolarHBondContact OD2-NE 3.31Å; D860-R864 IonicContact OD2-NH2 2.71Å; D860-R864 PolarHBondContact OD2-NH2 3.33Å; R861-R864 PolarHBondContact O-N 3.29Å; R864-S867 WeakPolarHBondContact O-CB 3.36Å; R864-S867 PolarHBondContact O-N 2.9Å; R864-E868 PolarHBondContact O-N 3.37Å; R864-Q879 VanDerWaalsContact NH1-CD 3.3Å
865	L	91.8	Very high	87.1	Confident	5 Å²	5	39.1 Å²	39.1	3%	0.026	20%	0.196	C	C	.	.	H	α-helix	trans	-62.7	-44.6	178	-66.3	175.8	0	0	0	112.2	P538 F552 L686 R861 F862 S867 E868 I869 F876	P538-L865 HydrophobicContact CG-CD1 4.06Å; P538-L865 HydrophobicContact CG-CD2 3.67Å; P538-L865 HydrophobicContact CG-CG 4.31Å; F552-L865 HydrophobicContact CD1-CD1 3.65Å; F552-L865 HydrophobicContact CE1-CD1 4.28Å; F552-L865 HydrophobicContact CG-CD1 4.42Å; L686-L865 HydrophobicContact CD2-CB 3.8Å; R861-L865 HydrophobicContact CG-CD1 4.26Å; R861-L865 VanDerWaalsContact O-CG 3.32Å; R861-L865 WeakPolarHBondContact O-CG 3.09Å; R861-L865 PolarHBondContact O-N 3Å; R861-L865 VanDerWaalsContact O-N 3.1Å; F862-L865 PolarHBondContact O-N 3.11Å; L865-S867 VanDerWaalsContact C-N 3.3Å; L865-S867 PolarHBondContact O-N 3.19Å; L865-E868 PolarHBondContact O-N 2.92Å; L865-I869 PolarHBondContact O-N 3.01Å; L865-F876 HydrophobicContact CD2-CB 4.48Å; L865-F876 HydrophobicContact CD2-CD1 3.76Å; L865-F876 HydrophobicContact CD2-CE1 4.44Å; L865-F876 HydrophobicContact CD2-CG 4.44Å
866	W	91.2	Very high	87.2	Confident	21 Å²	21	40.3 Å²	40.3	8%	0.08	20%	0.201	C	C	.	.	H	α-helix	trans	-64.5	-35.3	179.2	-177.5	-96.5	0	0	0	112.2	K565 H567 L686 F862 G863 E868 I869 A870	K565-W866 HydrophobicContact CB-CE3 4.23Å; K565-W866 HydrophobicContact CB-CH2 4.43Å; K565-W866 HydrophobicContact CB-CZ3 4.13Å; K565-W866 HydrophobicContact CD-CD2 3.61Å; K565-W866 VanDerWaalsContact CD-CE2 3.45Å; K565-W866 HydrophobicContact CD-CE3 4.04Å; K565-W866 HydrophobicContact CD-CG 4.08Å; K565-W866 HydrophobicContact CD-CH2 4.12Å; K565-W866 HydrophobicContact CD-CZ2 3.72Å; K565-W866 HydrophobicContact CD-CZ3 4.27Å; K565-W866 VanDerWaalsContact CE-CZ2 3.44Å; K565-W866 HydrophobicContact CG-CD2 4.28Å; K565-W866 HydrophobicContact CG-CE3 4.24Å; K565-W866 HydrophobicContact CG-CH2 3.86Å; K565-W866 HydrophobicContact CG-CZ2 3.92Å; K565-W866 HydrophobicContact CG-CZ3 4.03Å; K565-W866 VanDerWaalsContact NZ-CD1 3.33Å; H567-W866 HydrophobicContact CB-CH2 3.86Å; H567-W866 HydrophobicContact CB-CZ2 3.93Å; L686-W866 HydrophobicContact CB-CE3 3.61Å; L686-W866 HydrophobicContact CB-CZ3 3.85Å; L686-W866 HydrophobicContact CD2-CB 4.28Å; L686-W866 HydrophobicContact CD2-CE3 4.33Å; F862-W866 HydrophobicContact CE1-CB 4.45Å; F862-W866 VanDerWaalsContact O-CB 3.26Å; F862-W866 WeakPolarHBondContact O-CB 3.34Å; F862-W866 PolarHBondContact O-N 2.95Å; G863-W866 PolarHBondContact O-N 2.96Å; W866-E868 VanDerWaalsContact C-N 3.32Å; W866-E868 PolarHBondContact O-N 2.89Å; W866-I869 HydrophobicContact CE3-CB 4.49Å; W866-I869 HydrophobicContact CE3-CG2 4.36Å; W866-I869 HydrophobicContact CZ3-CG2 4.13Å; W866-I869 PolarHBondContact O-N 3.13Å; W866-A870 VanDerWaalsContact O-CB 3.32Å; W866-A870 WeakPolarHBondContact O-CB 3.44Å; W866-A870 PolarHBondContact O-N 2.91Å
867	S	85.2	Confident	87.4	Confident	59 Å²	59	35.8 Å²	35.8	41%	0.413	18%	0.181	S	C	.	.	H	α-helix	trans	-57.9	-44.8	177	-169.8	0	0	0	0	111.8	G863 R864 L865 I869 A870 C871	G863-S867 WeakPolarHBondContact O-CB 3.34Å; G863-S867 PolarHBondContact O-N 3.02Å; R864-S867 WeakPolarHBondContact O-CB 3.36Å; R864-S867 PolarHBondContact O-N 2.9Å; L865-S867 VanDerWaalsContact C-N 3.3Å; L865-S867 PolarHBondContact O-N 3.19Å; S867-I869 VanDerWaalsContact C-N 3.33Å; S867-I869 PolarHBondContact O-N 2.6Å; S867-A870 PolarHBondContact O-N 3Å; S867-C871 WeakPolarHBondContact O-CB 3.42Å; S867-C871 PolarHBondContact O-N 3.23Å; S867-C871 PolarHBondContact O-SG 3.38Å
868	E	88.5	Confident	87.2	Confident	21 Å²	21	37.2 Å²	37.2	10%	0.098	18%	0.18	C	C	.	.	H	α-helix	trans	-65.2	-34.8	177.7	-64.8	-58.1	140.8	0	0	112.9	R864 L865 W866 R872 H873 Y874 N875 F876 R878	R864-E868 PolarHBondContact O-N 3.37Å; L865-E868 PolarHBondContact O-N 2.92Å; W866-E868 VanDerWaalsContact C-N 3.32Å; W866-E868 PolarHBondContact O-N 2.89Å; E868-R872 PolarHBondContact O-N 3.33Å; E868-H873 PolarHBondContact O-N 3.06Å; E868-H873 WeakPolarHBondContact OE2-CB 3.36Å; E868-Y874 PolarHBondContact O-N 2.62Å; E868-N875 PolarHBondContact OE2-N 2.9Å; E868-F876 HydrophobicContact CB-CD1 3.95Å; E868-F876 HydrophobicContact CB-CE1 3.93Å; E868-F876 HydrophobicContact CG-CD1 4.33Å; E868-R878 IonicContact OE1-CZ 2.94Å; E868-R878 IonicContact OE1-NE 3.62Å; E868-R878 PolarHBondContact OE1-NE 3.27Å; E868-R878 IonicContact OE1-NH2 3.37Å; E868-R878 PolarHBondContact OE1-NH2 3.35Å; E868-R878 IonicContact OE2-CZ 3.61Å; E868-R878 IonicContact OE2-NE 2.87Å; E868-R878 IonicContact OE2-NH2 3.85Å; E868-R878 PolarHBondContact OE2-NH2 3.31Å
869	I	89.6	Confident	86.4	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-73	-48	176.5	-67.1	166.6	0	0	0	110.7	W550 E684 L686 L865 W866 S867 C871 R872 Y874 F876	W550-I869 HydrophobicContact CB-CD1 3.82Å; W550-I869 HydrophobicContact CD2-CD1 4.4Å; W550-I869 HydrophobicContact CG-CD1 3.68Å; W550-I869 HydrophobicContact CG-CG1 4.2Å; E684-I869 HydrophobicContact CG-CG2 3.81Å; L686-I869 HydrophobicContact CB-CD1 3.91Å; L686-I869 HydrophobicContact CD1-CD1 3.94Å; L686-I869 HydrophobicContact CD2-CD1 4.1Å; L686-I869 HydrophobicContact CG-CD1 4.19Å; L865-I869 PolarHBondContact O-N 3.01Å; W866-I869 HydrophobicContact CE3-CB 4.49Å; W866-I869 HydrophobicContact CE3-CG2 4.36Å; W866-I869 HydrophobicContact CZ3-CG2 4.13Å; W866-I869 PolarHBondContact O-N 3.13Å; S867-I869 VanDerWaalsContact C-N 3.33Å; S867-I869 PolarHBondContact O-N 2.6Å; I869-C871 VanDerWaalsContact C-N 3.31Å; I869-C871 PolarHBondContact O-N 2.9Å; I869-R872 WeakPolarHBondContact O-CA 3.41Å; I869-R872 PolarHBondContact O-N 2.93Å; I869-Y874 HydrophobicContact CB-CE1 4.49Å; I869-Y874 HydrophobicContact CG1-CD1 4.37Å; I869-Y874 HydrophobicContact CG1-CE1 4.41Å; I869-Y874 HydrophobicContact CG2-CE1 4.43Å; I869-F876 HydrophobicContact CD1-CE1 4.19Å; I869-F876 HydrophobicContact CD1-CZ 4.27Å; I869-F876 HydrophobicContact CG1-CE1 3.83Å; I869-F876 HydrophobicContact CG1-CZ 3.85Å
870	A	83.6	Confident	85.2	Confident	30 Å²	30	41.3 Å²	41.3	25%	0.248	21%	0.206	C	C	.	.	H	α-helix	trans	-62.8	-37.6	-178.1	0	0	0	0	0	112.5	W866 S867 R872	W866-A870 VanDerWaalsContact O-CB 3.32Å; W866-A870 WeakPolarHBondContact O-CB 3.44Å; W866-A870 PolarHBondContact O-N 2.91Å; S867-A870 PolarHBondContact O-N 3Å; A870-R872 PolarHBondContact O-N 2.78Å
871	C	78.8	Confident	83.6	Confident	21 Å²	21	46.8 Å²	46.8	14%	0.142	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-8.6	173.6	-59.8	0	0	0	0	113.1	S867 I869 H873	S867-C871 WeakPolarHBondContact O-CB 3.42Å; S867-C871 PolarHBondContact O-N 3.23Å; S867-C871 PolarHBondContact O-SG 3.38Å; I869-C871 VanDerWaalsContact C-N 3.31Å; I869-C871 PolarHBondContact O-N 2.9Å; C871-H873 PolarHBondContact O-N 3.41Å
872	R	84.8	Confident	83.3	Confident	55 Å²	55	46.8 Å²	46.8	21%	0.208	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	32.8	-172.5	-53.9	-171.6	-179.4	127.6	9.4	113.6	E684 I721 T722 E868 I869 A870 Y874	E684-R872 IonicContact OE2-NE 3.7Å; E684-R872 PolarHBondContact OE2-NE 3.38Å; E684-R872 IonicContact OE2-NH2 3.87Å; I721-R872 VanDerWaalsContact CG2-NH1 3.3Å; I721-R872 PolarHBondContact O-NH1 3.16Å; T722-R872 PolarHBondContact O-NH1 2.71Å; E868-R872 PolarHBondContact O-N 3.33Å; I869-R872 WeakPolarHBondContact O-CA 3.41Å; I869-R872 PolarHBondContact O-N 2.93Å; A870-R872 PolarHBondContact O-N 2.78Å; R872-Y874 HydrophobicContact CB-CE2 3.82Å; R872-Y874 WeakPolarHBondContact O-CD2 3.36Å; R872-Y874 WeakPolarHBondContact O-CE2 2.92Å
873	H	82.9	Confident	82.8	Confident	56 Å²	56	49.1 Å²	49.1	26%	0.259	24%	0.238	S	C	.	.			trans	-84.8	-34.9	173.7	-69.8	163.5	0	0	0	111.4	Q758 N799 E868 C871 N875 R878	Q758-H873 PolarHBondContact OE1-CE1 3.32Å; N799-H873 PolarHBondContact O-CE1 3.34Å; N799-H873 VanDerWaalsContact O-CE1 3.26Å; N799-H873 PolarHBondContact O-NE2 3.19Å; E868-H873 PolarHBondContact O-N 3.06Å; E868-H873 WeakPolarHBondContact OE2-CB 3.36Å; C871-H873 PolarHBondContact O-N 3.41Å; H873-N875 PolarHBondContact O-N 3.3Å; H873-N875 VanDerWaalsContact O-N 3.07Å; H873-R878 PolarHBondContact ND1-NH2 2.98Å
874	Y	88.7	Confident	82.4	Confident	60 Å²	60	51.2 Å²	51.2	24%	0.235	25%	0.245	C	C	.	.			trans	53.6	26.3	-179.4	-47.3	-66.2	0	0	0	113.8	R548 W550 E684 E868 I869 R872 F876	R548-Y874 PolarHBondContact NH1-OH 3.32Å; W550-Y874 AromaticContact CE2-CD1 3.87Å; W550-Y874 AromaticContact CE2-CE1 3.83Å; W550-Y874 HydrophobicContact CH2-CD1 4.07Å; W550-Y874 HydrophobicContact CH2-CG 4.42Å; W550-Y874 AromaticContact CZ2-CD1 3.36Å; W550-Y874 HydrophobicContact CZ2-CD1 3.36Å; W550-Y874 AromaticContact CZ2-CE1 3.56Å; W550-Y874 HydrophobicContact CZ2-CE1 3.56Å; W550-Y874 HydrophobicContact CZ2-CG 4.03Å; W550-Y874 AromaticContact NE1-CE1 3.68Å; E684-Y874 PolarHBondContact OE1-OH 2.83Å; E868-Y874 PolarHBondContact O-N 2.62Å; I869-Y874 HydrophobicContact CB-CE1 4.49Å; I869-Y874 HydrophobicContact CG1-CD1 4.37Å; I869-Y874 HydrophobicContact CG1-CE1 4.41Å; I869-Y874 HydrophobicContact CG2-CE1 4.43Å; R872-Y874 HydrophobicContact CB-CE2 3.82Å; R872-Y874 WeakPolarHBondContact O-CD2 3.36Å; R872-Y874 WeakPolarHBondContact O-CE2 2.92Å; Y874-F876 HydrophobicContact CD1-CZ 4.31Å; Y874-F876 PolarHBondContact O-N 3.32Å
875	N	87.3	Confident	82.1	Confident	48 Å²	48	50.5 Å²	50.5	26%	0.257	25%	0.245	S	C	.	.			trans	-91.7	71.2	177	-173.3	4.2	0	0	0	110.4	E868 H873 K877 R878	E868-N875 PolarHBondContact OE2-N 2.9Å; H873-N875 PolarHBondContact O-N 3.3Å; H873-N875 VanDerWaalsContact O-N 3.07Å; N875-K877 PolarHBondContact O-N 3.42Å; N875-R878 HydrophobicContact CB-CB 4.48Å; N875-R878 WeakPolarHBondContact O-CB 3.21Å; N875-R878 PolarHBondContact O-N 2.73Å; N875-R878 VanDerWaalsContact O-N 3.13Å; N875-R878 PolarHBondContact OD1-N 3.15Å
876	F	88	Confident	81.5	Confident	33 Å²	33	53.4 Å²	53.4	15%	0.145	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-11.7	-177.6	-57.4	-63.1	0	0	0	114.4	I537 P538 W550 L865 E868 I869 Y874	I537-F876 HydrophobicContact CB-CB 4.1Å; I537-F876 HydrophobicContact CB-CD2 4.3Å; I537-F876 HydrophobicContact CG2-CB 3.79Å; P538-F876 HydrophobicContact CB-CE2 4.45Å; P538-F876 HydrophobicContact CB-CZ 4.32Å; P538-F876 HydrophobicContact CG-CD1 3.99Å; P538-F876 HydrophobicContact CG-CD2 4.43Å; P538-F876 HydrophobicContact CG-CE1 3.91Å; P538-F876 HydrophobicContact CG-CE2 4.35Å; P538-F876 HydrophobicContact CG-CG 4.24Å; P538-F876 HydrophobicContact CG-CZ 4.09Å; W550-F876 HydrophobicContact CD2-CZ 4.22Å; W550-F876 AromaticContact CE3-CE2 3.98Å; W550-F876 HydrophobicContact CE3-CE2 3.98Å; W550-F876 AromaticContact CE3-CZ 3.99Å; W550-F876 HydrophobicContact CE3-CZ 3.99Å; W550-F876 HydrophobicContact CH2-CE2 4.04Å; W550-F876 HydrophobicContact CH2-CZ 4.38Å; W550-F876 AromaticContact CZ3-CE2 3.66Å; W550-F876 HydrophobicContact CZ3-CE2 3.66Å; W550-F876 HydrophobicContact CZ3-CZ 4.07Å; L865-F876 HydrophobicContact CD2-CB 4.48Å; L865-F876 HydrophobicContact CD2-CD1 3.76Å; L865-F876 HydrophobicContact CD2-CE1 4.44Å; L865-F876 HydrophobicContact CD2-CG 4.44Å; E868-F876 HydrophobicContact CB-CD1 3.95Å; E868-F876 HydrophobicContact CB-CE1 3.93Å; E868-F876 HydrophobicContact CG-CD1 4.33Å; I869-F876 HydrophobicContact CD1-CE1 4.19Å; I869-F876 HydrophobicContact CD1-CZ 4.27Å; I869-F876 HydrophobicContact CG1-CE1 3.83Å; I869-F876 HydrophobicContact CG1-CZ 3.85Å; Y874-F876 HydrophobicContact CD1-CZ 4.31Å; Y874-F876 PolarHBondContact O-N 3.32Å
877	K	84.1	Confident	80.9	Confident	58 Å²	58	55.5 Å²	55.5	25%	0.252	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	17.8	178	-63.8	-168.1	175.7	-152.2	0	113.3	E536 I537 N875 Q879 V880 Y881	E536-K877 WeakPolarHBondContact OE2-CE 3.32Å; E536-K877 IonicContact OE2-NZ 3.65Å; E536-K877 PolarHBondContact OE2-NZ 3.38Å; I537-K877 HydrophobicContact CG2-CD 4.23Å; I537-K877 HydrophobicContact CG2-CG 3.75Å; N875-K877 PolarHBondContact O-N 3.42Å; K877-Q879 PolarHBondContact O-N 2.79Å; K877-V880 PolarHBondContact O-N 3.24Å; K877-Y881 HydrophobicContact CB-CD2 3.55Å; K877-Y881 HydrophobicContact CB-CE2 3.44Å; K877-Y881 VanDerWaalsContact CB-CE2 3.44Å; K877-Y881 HydrophobicContact CD-CD2 4.48Å; K877-Y881 HydrophobicContact CD-CE2 3.52Å; K877-Y881 HydrophobicContact CG-CE2 4.1Å; K877-Y881 PolarHBondContact O-N 3.17Å
878	R	81.4	Confident	80.6	Confident	50 Å²	50	55.3 Å²	55.3	19%	0.189	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-25.9	-178.4	-176.5	-176.9	-59.1	-83.6	-2	115.3	N763 E868 H873 N875	N763-R878 PolarHBondContact ND2-NH1 2.77Å; E868-R878 IonicContact OE1-CZ 2.94Å; E868-R878 IonicContact OE1-NE 3.62Å; E868-R878 PolarHBondContact OE1-NE 3.27Å; E868-R878 IonicContact OE1-NH2 3.37Å; E868-R878 PolarHBondContact OE1-NH2 3.35Å; E868-R878 IonicContact OE2-CZ 3.61Å; E868-R878 IonicContact OE2-NE 2.87Å; E868-R878 IonicContact OE2-NH2 3.85Å; E868-R878 PolarHBondContact OE2-NH2 3.31Å; H873-R878 PolarHBondContact ND1-NH2 2.98Å; N875-R878 HydrophobicContact CB-CB 4.48Å; N875-R878 WeakPolarHBondContact O-CB 3.21Å; N875-R878 PolarHBondContact O-N 2.73Å; N875-R878 VanDerWaalsContact O-N 3.13Å; N875-R878 PolarHBondContact OD1-N 3.15Å
879	Q	72.4	Confident	80	Confident	78 Å²	78	57.9 Å²	57.9	36%	0.364	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-21.6	179.4	-68.7	-176.5	-47.9	0	0	113.1	L851 R864 K877	L851-Q879 WeakPolarHBondContact O-CB 3.42Å; L851-Q879 VanDerWaalsContact O-CD 3.3Å; L851-Q879 WeakPolarHBondContact O-CG 3.37Å; L851-Q879 PolarHBondContact O-NE2 3.25Å; R864-Q879 VanDerWaalsContact NH1-CD 3.3Å; K877-Q879 PolarHBondContact O-N 2.79Å
880	V	65.8	Low	79.2	Confident	103 Å²	103	62.8 Å²	62.8	62%	0.624	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-29.9	-177.7	-176.2	0	0	0	0	111.4	K877	K877-V880 PolarHBondContact O-N 3.24Å
881	Y	52.1	Low	78.8	Confident	161 Å²	161	65.7 Å²	65.7	63%	0.631	30%	0.301	S	S	*	.			trans	-116.4	0	179.4	-51.6	-60.2	0	0	0	111	T760 K877	T760-Y881 WeakPolarHBondContact CG2-O 3.35Å; K877-Y881 HydrophobicContact CB-CD2 3.55Å; K877-Y881 HydrophobicContact CB-CE2 3.44Å; K877-Y881 VanDerWaalsContact CB-CE2 3.44Å; K877-Y881 HydrophobicContact CD-CD2 4.48Å; K877-Y881 HydrophobicContact CD-CE2 3.52Å; K877-Y881 HydrophobicContact CG-CE2 4.1Å; K877-Y881 PolarHBondContact O-N 3.17Å

Retrieved 881 of 881 residues in 242.2 ms (Link to these results)

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