A0A5K4F3Y5_SCHMA Loading...

COesterase domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F3Y5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 793 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.3	Very low	70.3	Confident	214 Å²	214	121 Å²	121	100%	1.054	64%	0.636	S	S	*	*				0	-45.4	0	-83.8	178	83.9	0	0	114	I3 M4 S5	M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 3.34Å; M1-M4 PolarHBondContact O-N 3.23Å; M1-S5 PolarHBondContact O-N 3.32Å
2	I	61.4	Low	70.9	Confident	157 Å²	157	117.8 Å²	117.8	81%	0.805	62%	0.618	S	S	*	*	H	α-helix	trans	-60.2	-38.5	-176	-61.5	172.2	0	0	0	112.9	M4 S5 S6	I2-M4 PolarHBondContact O-N 3.34Å; I2-S5 WeakPolarHBondContact O-CB 3.44Å; I2-S5 PolarHBondContact O-N 3.21Å; I2-S6 PolarHBondContact O-N 3.11Å
3	I	64.1	Low	70.5	Confident	135 Å²	135	117.4 Å²	117.4	69%	0.692	61%	0.613	S	S	*	*	H	α-helix	trans	-66	-37.9	178.9	-61.3	171.4	0	0	0	112.2	M1 S5 S6 I7	M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 3.34Å; I3-S5 VanDerWaalsContact C-N 3.29Å; I3-S5 PolarHBondContact O-N 3.47Å; I3-S6 PolarHBondContact O-N 3.15Å; I3-I7 HydrophobicContact CG2-CD1 4.21Å; I3-I7 PolarHBondContact O-N 3.31Å
4	M	63.4	Low	70.5	Confident	156 Å²	156	116.6 Å²	116.6	77%	0.768	61%	0.608	S	S	*	*	H	α-helix	trans	-65	-32.9	175.2	-94.4	-171.7	83.4	0	0	112.4	M1 I2 L8	M1-M4 PolarHBondContact O-N 3.23Å; I2-M4 PolarHBondContact O-N 3.34Å; M4-L8 WeakPolarHBondContact O-CB 3.46Å; M4-L8 PolarHBondContact O-N 3.4Å; M4-L8 VanDerWaalsContact O-N 3.15Å
5	S	74.2	Confident	69.8	Low	61 Å²	61	112.2 Å²	112.2	43%	0.427	59%	0.592	S	S	.	*	H	α-helix	trans	-67.3	-37.2	177.6	-174.6	0	0	0	0	112	M1 I2 I3 K9	M1-S5 PolarHBondContact O-N 3.32Å; I2-S5 WeakPolarHBondContact O-CB 3.44Å; I2-S5 PolarHBondContact O-N 3.21Å; I3-S5 VanDerWaalsContact C-N 3.29Å; I3-S5 PolarHBondContact O-N 3.47Å; S5-K9 WeakPolarHBondContact O-CG 3.46Å; S5-K9 PolarHBondContact O-N 3.32Å; S5-K9 VanDerWaalsContact O-N 3.11Å
6	S	74.7	Confident	68.9	Low	77 Å²	77	109.9 Å²	109.9	54%	0.538	58%	0.579	S	S	.	*	H	α-helix	trans	-66.2	-44.9	178.2	-170.7	0	0	0	0	112	I2 I3 L8 K9 T10	I2-S6 PolarHBondContact O-N 3.11Å; I3-S6 PolarHBondContact O-N 3.15Å; S6-L8 VanDerWaalsContact C-N 3.34Å; S6-L8 PolarHBondContact O-N 2.95Å; S6-K9 PolarHBondContact O-N 3.1Å; S6-T10 PolarHBondContact O-N 3.49Å; S6-T10 VanDerWaalsContact O-N 3.12Å; S6-T10 PolarHBondContact O-OG1 3.02Å
7	I	78.5	Confident	67.6	Low	95 Å²	95	113.7 Å²	113.7	49%	0.487	58%	0.584	S	S	.	*	H	α-helix	trans	-66.2	-38.7	-179.1	-63.2	169	0	0	0	111	I3 T10 L11	I3-I7 HydrophobicContact CG2-CD1 4.21Å; I3-I7 PolarHBondContact O-N 3.31Å; I7-T10 WeakPolarHBondContact CA-OG1 3.47Å; I7-T10 PolarHBondContact O-N 2.95Å; I7-T10 PolarHBondContact O-OG1 2.96Å; I7-T10 VanDerWaalsContact O-OG1 3.1Å; I7-L11 HydrophobicContact CG2-CD1 3.94Å; I7-L11 WeakPolarHBondContact O-CG 3.48Å; I7-L11 PolarHBondContact O-N 3.12Å
8	L	79.5	Confident	66.5	Low	107 Å²	107	111.1 Å²	111.1	56%	0.56	57%	0.574	S	S	*	*	H	α-helix	trans	-66.8	-38.5	177.5	-167.2	69.1	0	0	0	111.8	M4 S6 L11 I12	M4-L8 WeakPolarHBondContact O-CB 3.46Å; M4-L8 PolarHBondContact O-N 3.4Å; M4-L8 VanDerWaalsContact O-N 3.15Å; S6-L8 VanDerWaalsContact C-N 3.34Å; S6-L8 PolarHBondContact O-N 2.95Å; L8-L11 PolarHBondContact O-N 3.45Å; L8-I12 HydrophobicContact CG-CD1 4.01Å; L8-I12 WeakPolarHBondContact O-CB 3.29Å; L8-I12 VanDerWaalsContact O-CG1 3.22Å; L8-I12 WeakPolarHBondContact O-CG1 3.22Å; L8-I12 PolarHBondContact O-N 3.45Å
9	K	75.8	Confident	65.4	Low	147 Å²	147	115.7 Å²	115.7	64%	0.639	58%	0.583	S	S	*	*	H	α-helix	trans	-65.5	-40.8	176	-77.6	-177.4	179	-176.2	0	112.6	S5 S6 I12 M13	S5-K9 WeakPolarHBondContact O-CG 3.46Å; S5-K9 PolarHBondContact O-N 3.32Å; S5-K9 VanDerWaalsContact O-N 3.11Å; S6-K9 PolarHBondContact O-N 3.1Å; K9-I12 PolarHBondContact O-N 3.32Å; K9-M13 WeakPolarHBondContact O-CB 3.46Å; K9-M13 PolarHBondContact O-N 3.16Å
10	T	75.9	Confident	64.2	Low	79 Å²	79	115.5 Å²	115.5	49%	0.485	58%	0.583	S	S	.	*	H	α-helix	trans	-67.2	-41	175.5	25.8	0	0	0	0	112	S6 I7 I12 M13 I14	S6-T10 PolarHBondContact O-N 3.49Å; S6-T10 VanDerWaalsContact O-N 3.12Å; S6-T10 PolarHBondContact O-OG1 3.02Å; I7-T10 WeakPolarHBondContact CA-OG1 3.47Å; I7-T10 PolarHBondContact O-N 2.95Å; I7-T10 PolarHBondContact O-OG1 2.96Å; I7-T10 VanDerWaalsContact O-OG1 3.1Å; T10-I12 PolarHBondContact O-N 3.36Å; T10-M13 PolarHBondContact O-N 2.95Å; T10-I14 WeakPolarHBondContact O-CD1 3.24Å; T10-I14 VanDerWaalsContact O-CG1 3.24Å; T10-I14 WeakPolarHBondContact O-CG1 3.5Å; T10-I14 PolarHBondContact O-N 3.49Å
11	L	76.3	Confident	63.1	Low	103 Å²	103	113.5 Å²	113.5	54%	0.539	58%	0.577	S	S	.	*	H	α-helix	trans	-62.4	-42.6	175.1	-79.6	162.6	0	0	0	112.3	I7 L8 I14 S15	I7-L11 HydrophobicContact CG2-CD1 3.94Å; I7-L11 WeakPolarHBondContact O-CG 3.48Å; I7-L11 PolarHBondContact O-N 3.12Å; L8-L11 PolarHBondContact O-N 3.45Å; L11-I14 PolarHBondContact O-N 2.87Å; L11-S15 PolarHBondContact O-N 3.43Å
12	I	77.1	Confident	62.5	Low	82 Å²	82	112.8 Å²	112.8	42%	0.421	56%	0.563	S	S	.	*	H	α-helix	trans	-63.8	-46.2	176.2	-68.7	167.1	0	0	0	110.5	L8 K9 T10 I14 S15 I16	L8-I12 HydrophobicContact CG-CD1 4.01Å; L8-I12 WeakPolarHBondContact O-CB 3.29Å; L8-I12 VanDerWaalsContact O-CG1 3.22Å; L8-I12 WeakPolarHBondContact O-CG1 3.22Å; L8-I12 PolarHBondContact O-N 3.45Å; K9-I12 PolarHBondContact O-N 3.32Å; T10-I12 PolarHBondContact O-N 3.36Å; I12-I14 PolarHBondContact O-N 3.36Å; I12-S15 PolarHBondContact O-N 3.31Å; I12-S15 VanDerWaalsContact O-N 3.16Å; I12-S15 PolarHBondContact O-OG 3.5Å; I12-I16 HydrophobicContact CG2-CD1 3.54Å; I12-I16 HydrophobicContact CG2-CG1 4.19Å; I12-I16 WeakPolarHBondContact O-CB 3.48Å; I12-I16 VanDerWaalsContact O-CG1 3.29Å; I12-I16 WeakPolarHBondContact O-CG1 3.34Å; I12-I16 PolarHBondContact O-N 2.92Å
13	M	66.6	Low	61.3	Low	113 Å²	113	108.4 Å²	108.4	56%	0.557	55%	0.546	S	S	*	.	H	α-helix	trans	-60.3	-41.6	176.5	-82	-71.4	-78.9	0	0	112.7	K9 T10 I16 W17	K9-M13 WeakPolarHBondContact O-CB 3.46Å; K9-M13 PolarHBondContact O-N 3.16Å; T10-M13 PolarHBondContact O-N 2.95Å; M13-I16 PolarHBondContact O-N 3.43Å; M13-W17 WeakPolarHBondContact O-CB 3.37Å; M13-W17 PolarHBondContact O-N 3.41Å
14	I	70.8	Confident	59.9	Low	106 Å²	106	110.1 Å²	110.1	54%	0.544	55%	0.551	S	S	.	*	H	α-helix	trans	-63.3	-42.9	175.3	-66.8	163.4	0	0	0	110.1	T10 L11 I12 I16 W17 T18	T10-I14 WeakPolarHBondContact O-CD1 3.24Å; T10-I14 VanDerWaalsContact O-CG1 3.24Å; T10-I14 WeakPolarHBondContact O-CG1 3.5Å; T10-I14 PolarHBondContact O-N 3.49Å; L11-I14 PolarHBondContact O-N 2.87Å; I12-I14 PolarHBondContact O-N 3.36Å; I14-I16 PolarHBondContact O-N 3Å; I14-W17 PolarHBondContact O-N 3.3Å; I14-T18 HydrophobicContact CG2-CG2 4.42Å; I14-T18 WeakPolarHBondContact O-CG2 3.35Å; I14-T18 PolarHBondContact O-N 2.75Å; I14-T18 PolarHBondContact O-OG1 2.86Å
15	S	58.9	Low	58.8	Low	51 Å²	51	107.2 Å²	107.2	36%	0.357	54%	0.538	S	S	.	.	H	α-helix	trans	-67.3	-32.9	178	76.1	0	0	0	0	114	L11 I12 T18 R19	L11-S15 PolarHBondContact O-N 3.43Å; I12-S15 PolarHBondContact O-N 3.31Å; I12-S15 VanDerWaalsContact O-N 3.16Å; I12-S15 PolarHBondContact O-OG 3.5Å; S15-T18 WeakPolarHBondContact CA-OG1 3.33Å; S15-T18 PolarHBondContact O-OG1 2.81Å; S15-T18 VanDerWaalsContact O-OG1 3.09Å; S15-R19 WeakPolarHBondContact O-CB 3.47Å; S15-R19 WeakPolarHBondContact O-CG 3.34Å; S15-R19 PolarHBondContact O-N 3.48Å
16	I	55.9	Low	57.1	Low	76 Å²	76	108.1 Å²	108.1	39%	0.39	54%	0.539	S	S	.	.	H	α-helix	trans	-75.4	-41.8	177.4	-70.2	173.3	0	0	0	109.2	I12 M13 I14 R19 L20	I12-I16 HydrophobicContact CG2-CD1 3.54Å; I12-I16 HydrophobicContact CG2-CG1 4.19Å; I12-I16 WeakPolarHBondContact O-CB 3.48Å; I12-I16 VanDerWaalsContact O-CG1 3.29Å; I12-I16 WeakPolarHBondContact O-CG1 3.34Å; I12-I16 PolarHBondContact O-N 2.92Å; M13-I16 PolarHBondContact O-N 3.43Å; I14-I16 PolarHBondContact O-N 3Å; I16-R19 PolarHBondContact O-N 3.09Å; I16-L20 HydrophobicContact CG2-CD1 3.55Å; I16-L20 WeakPolarHBondContact O-CB 3.26Å; I16-L20 PolarHBondContact O-N 2.66Å
17	W	46.7	Very low	55.3	Low	174 Å²	174	112 Å²	112	66%	0.659	54%	0.543	S	S	*	.	H	α-helix	trans	-64.6	-41.3	174.3	-104.6	70	0	0	0	112.4	M13 I14 T21	M13-W17 WeakPolarHBondContact O-CB 3.37Å; M13-W17 PolarHBondContact O-N 3.41Å; I14-W17 PolarHBondContact O-N 3.3Å; W17-T21 HydrophobicContact CE3-CG2 4.11Å; W17-T21 HydrophobicContact CZ3-CG2 4.46Å; W17-T21 WeakPolarHBondContact O-CB 3.32Å; W17-T21 VanDerWaalsContact O-CG2 3.27Å; W17-T21 WeakPolarHBondContact O-CG2 3.36Å; W17-T21 PolarHBondContact O-N 3.35Å; W17-T21 PolarHBondContact O-OG1 3.01Å
18	T	47.9	Very low	53.7	Low	67 Å²	67	108.3 Å²	108.3	41%	0.411	53%	0.525	S	S	.	.	H	α-helix	trans	-66.8	-37.8	173.9	53.9	0	0	0	0	111.6	I14 S15 T21 W22	I14-T18 HydrophobicContact CG2-CG2 4.42Å; I14-T18 WeakPolarHBondContact O-CG2 3.35Å; I14-T18 PolarHBondContact O-N 2.75Å; I14-T18 PolarHBondContact O-OG1 2.86Å; S15-T18 WeakPolarHBondContact CA-OG1 3.33Å; S15-T18 PolarHBondContact O-OG1 2.81Å; S15-T18 VanDerWaalsContact O-OG1 3.09Å; T18-T21 PolarHBondContact O-OG1 2.86Å; T18-W22 WeakPolarHBondContact O-CB 3.27Å; T18-W22 VanDerWaalsContact O-CD1 3.25Å; T18-W22 PolarHBondContact O-N 2.9Å
19	R	45	Very low	51.9	Low	199 Å²	199	107.9 Å²	107.9	75%	0.751	52%	0.522	S	S	*	.	H	α-helix	trans	-71.3	-35.4	175.5	-78.2	-174.6	-176.2	-145.5	2.4	114.1	S15 I16 S23	S15-R19 WeakPolarHBondContact O-CB 3.47Å; S15-R19 WeakPolarHBondContact O-CG 3.34Å; S15-R19 PolarHBondContact O-N 3.48Å; I16-R19 PolarHBondContact O-N 3.09Å; R19-S23 VanDerWaalsContact O-CB 3.26Å; R19-S23 WeakPolarHBondContact O-CB 3.14Å; R19-S23 PolarHBondContact O-N 3.02Å; R19-S23 PolarHBondContact O-OG 3.4Å
20	L	41.2	Very low	50.4	Low	111 Å²	111	106 Å²	106	58%	0.581	51%	0.514	S	S	*	.	H	α-helix	trans	-76.1	-34.6	176.9	-91.8	144.4	0	0	0	112.3	I16 W22	I16-L20 HydrophobicContact CG2-CD1 3.55Å; I16-L20 WeakPolarHBondContact O-CB 3.26Å; I16-L20 PolarHBondContact O-N 2.66Å; L20-W22 VanDerWaalsContact C-N 3.34Å
21	T	42.2	Very low	48.8	Very low	74 Å²	74	105.6 Å²	105.6	45%	0.454	51%	0.513	S	S	.	.	H	α-helix	trans	-75.3	-24.1	173.4	54	0	0	0	0	112.3	W17 T18	W17-T21 HydrophobicContact CE3-CG2 4.11Å; W17-T21 HydrophobicContact CZ3-CG2 4.46Å; W17-T21 WeakPolarHBondContact O-CB 3.32Å; W17-T21 VanDerWaalsContact O-CG2 3.27Å; W17-T21 WeakPolarHBondContact O-CG2 3.36Å; W17-T21 PolarHBondContact O-N 3.35Å; W17-T21 PolarHBondContact O-OG1 3.01Å; T18-T21 PolarHBondContact O-OG1 2.86Å
22	W	36.1	Very low	47.5	Very low	198 Å²	198	105.9 Å²	105.9	75%	0.75	51%	0.514	S	S	*	.	H	α-helix	trans	-94.4	-14.7	178.8	-73	28.5	0	0	0	114.3	T18 L20 N26	T18-W22 WeakPolarHBondContact O-CB 3.27Å; T18-W22 VanDerWaalsContact O-CD1 3.25Å; T18-W22 PolarHBondContact O-N 2.9Å; L20-W22 VanDerWaalsContact C-N 3.34Å; W22-N26 PolarHBondContact O-ND2 3Å
23	S	36.3	Very low	45.6	Very low	66 Å²	66	103.9 Å²	103.9	46%	0.462	51%	0.514	S	S	.	.	H	α-helix	trans	-81.9	-15.9	-179.4	71	0	0	0	0	114.2	R19	R19-S23 VanDerWaalsContact O-CB 3.26Å; R19-S23 WeakPolarHBondContact O-CB 3.14Å; R19-S23 PolarHBondContact O-N 3.02Å; R19-S23 PolarHBondContact O-OG 3.4Å
24	Q	35.8	Very low	44.5	Very low	170 Å²	170	102.3 Å²	102.3	79%	0.794	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	0.5	-179.9	-72.1	-165.2	-31.9	0	0	115.3
25	L	40.3	Very low	42.8	Very low	96 Å²	96	105.9 Å²	105.9	50%	0.503	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.9	33.6	-175.1	-74.3	165.2	0	0	0	114.9
26	N	37.9	Very low	42.2	Very low	80 Å²	80	111.2 Å²	111.2	43%	0.428	54%	0.54	S	S	.	.			trans	-106.7	30.7	-175.5	-76.4	-31.7	0	0	0	115.8	W22	W22-N26 PolarHBondContact O-ND2 3Å
27	Y	37.4	Very low	41.5	Very low	159 Å²	159	115.2 Å²	115.2	62%	0.624	56%	0.562	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-133.8	147.3	176.9	-52.6	-82.7	0	0	0	113.5	I43 I44	Y27-I43 HydrophobicContact CD1-CG2 3.66Å; Y27-I43 HydrophobicContact CG-CG2 3.62Å; Y27-I44 CarbonylContact C-O 3.57Å; Y27-I44 WeakPolarHBondContact CA-O 3.36Å
28	C	45	Very low	40.9	Very low	17 Å²	17	114.2 Å²	114.2	12%	0.115	57%	0.565	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-129.8	158.9	177.5	-44.7	0	0	0	0	111.9	N42 I43 I44 K46 C51	C28-N42 VanDerWaalsContact O-O 3.08Å; C28-I43 CarbonylContact O-C 3.33Å; C28-I43 WeakPolarHBondContact O-CA 3.36Å; C28-I44 PolarHBondContact N-O 2.86Å; C28-I44 PolarHBondContact O-N 2.01Å; C28-K46 VanDerWaalsContact SG-CG 3.54Å; C28-C51 HydrophobicContact CB-CB 4.06Å; C28-C51 WeakPolarHBondContact CB-SG 3.28Å; C28-C51 WeakPolarHBondContact SG-CB 3.16Å; C28-C51 CovalentContact SG-SG 2.01Å; C28-C51 PolarHBondContact SG-SG 2.94Å
29	L	40.2	Very low	40.8	Very low	97 Å²	97	113.4 Å²	113.4	51%	0.508	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.9	103.3	-179.9	-67.1	-179.3	0	0	0	111.2	F41 N42 I43	L29-F41 HydrophobicContact CB-CB 3.75Å; L29-F41 HydrophobicContact CB-CD1 3.84Å; L29-F41 HydrophobicContact CB-CG 3.96Å; L29-F41 HydrophobicContact CD1-CB 4.43Å; L29-F41 HydrophobicContact CD1-CG 4.45Å; L29-F41 HydrophobicContact CD2-CB 3.8Å; L29-F41 HydrophobicContact CG-CB 4.18Å; L29-N42 WeakPolarHBondContact CA-O 2.89Å; L29-I43 HydrophobicContact CD2-CG1 3.99Å
30	K	44.3	Very low	40.6	Very low	108 Å²	108	107.6 Å²	107.6	47%	0.47	55%	0.55	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88	121.6	171.3	-179.3	177.3	176.2	-178.8	0	109.8	I32 F41 N42 I44	K30-I32 PolarHBondContact O-N 3.33Å; K30-F41 CarbonylContact O-C 3.48Å; K30-F41 WeakPolarHBondContact O-CA 3.36Å; K30-N42 PolarHBondContact N-O 3.36Å; K30-N42 PolarHBondContact O-N 2.9Å; K30-I44 HydrophobicContact CB-CD1 3.72Å; K30-I44 HydrophobicContact CB-CG1 3.97Å; K30-I44 HydrophobicContact CD-CD1 4Å; K30-I44 HydrophobicContact CG-CD1 4.38Å
31	P	42.7	Very low	40.7	Very low	71 Å²	71	106.6 Å²	106.6	46%	0.461	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	127.7	175.3	25.4	-31.4	0	0	0	110	C40 F41	P31-C40 WeakPolarHBondContact CA-O 3.3Å; P31-F41 HydrophobicContact CB-CD1 4.13Å; P31-F41 HydrophobicContact CB-CE1 4.04Å
32	I	48.5	Very low	40.5	Very low	108 Å²	108	107.4 Å²	107.4	55%	0.554	54%	0.543	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	-19.7	176.3	-54.4	169.3	0	0	0	110.4	K30 C40 N42	K30-I32 PolarHBondContact O-N 3.33Å; I32-C40 PolarHBondContact N-O 2.87Å; I32-N42 HydrophobicContact CD1-CB 3.91Å; I32-N42 VanDerWaalsContact CD1-ND2 3.33Å; I32-N42 WeakPolarHBondContact CD1-ND2 3.36Å; I32-N42 WeakPolarHBondContact CD1-OD1 3.46Å; I32-N42 HydrophobicContact CG1-CB 4.07Å
33	G	37.8	Very low	40.8	Very low	41 Å²	41	103.7 Å²	103.7	42%	0.423	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	140.8	165.7	-170.8	0	0	0	0	0	109.1	C40	G33-C40 PolarHBondContact O-N 2.86Å
34	C	43	Very low	41	Very low	79 Å²	79	103 Å²	103	53%	0.534	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	135.2	178.3	-51.1	0	0	0	0	108.9	E38 C39	C34-E38 WeakPolarHBondContact CA-O 3.38Å; C34-C39 HydrophobicContact CB-CB 4.11Å; C34-C39 WeakPolarHBondContact CB-SG 3.33Å; C34-C39 WeakPolarHBondContact SG-CB 3.36Å; C34-C39 CovalentContact SG-SG 2.06Å; C34-C39 PolarHBondContact SG-SG 3.1Å
35	Y	36.5	Very low	41.3	Very low	181 Å²	181	98.6 Å²	98.6	71%	0.71	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117	120.9	171.3	-150.1	-92.7	0	0	0	108.2	N37 E38	Y35-N37 VanDerWaalsContact C-N 3.26Å; Y35-N37 PolarHBondContact O-N 2.89Å; Y35-E38 PolarHBondContact N-O 3.03Å; Y35-E38 PolarHBondContact O-N 2.94Å
36	H	46.8	Very low	41.3	Very low	163 Å²	163	99.5 Å²	99.5	76%	0.755	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	42	46.4	179.6	-65.8	-43.3	0	0	0	115.6
37	N	40.7	Very low	41	Very low	160 Å²	160	101.2 Å²	101.2	86%	0.856	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	-2.3	-179.8	-52.4	-29.3	0	0	0	116.9	Y35	Y35-N37 VanDerWaalsContact C-N 3.26Å; Y35-N37 PolarHBondContact O-N 2.89Å
38	E	34.3	Very low	41	Very low	153 Å²	153	96 Å²	96	72%	0.715	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	110.5	170	-64.7	-176.9	175.4	0	0	109.4	C34 Y35	C34-E38 WeakPolarHBondContact CA-O 3.38Å; Y35-E38 PolarHBondContact N-O 3.03Å; Y35-E38 PolarHBondContact O-N 2.94Å
39	C	46.2	Very low	40.7	Very low	50 Å²	50	100.4 Å²	100.4	34%	0.338	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.3	118.8	175.8	-59.1	0	0	0	0	109.4	C34 F41	C34-C39 HydrophobicContact CB-CB 4.11Å; C34-C39 WeakPolarHBondContact CB-SG 3.33Å; C34-C39 WeakPolarHBondContact SG-CB 3.36Å; C34-C39 CovalentContact SG-SG 2.06Å; C34-C39 PolarHBondContact SG-SG 3.1Å; C39-F41 HydrophobicContact CB-CE2 4.2Å; C39-F41 HydrophobicContact CB-CZ 4.11Å; C39-F41 VanDerWaalsContact O-CD2 3.28Å; C39-F41 WeakPolarHBondContact O-CD2 3.42Å; C39-F41 WeakPolarHBondContact O-CE2 2.86Å
40	C	39.8	Very low	40.5	Very low	77 Å²	77	101.1 Å²	101.1	52%	0.52	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.5	139.3	176.3	-66.9	0	0	0	0	110.2	P31 I32 G33	P31-C40 WeakPolarHBondContact CA-O 3.3Å; I32-C40 PolarHBondContact N-O 2.87Å; G33-C40 PolarHBondContact O-N 2.86Å
41	F	44.1	Very low	40.2	Very low	90 Å²	90	96.9 Å²	96.9	40%	0.395	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	135.2	-178.7	-58.9	-87.5	0	0	0	111.2	L29 K30 P31 C39	L29-F41 HydrophobicContact CB-CB 3.75Å; L29-F41 HydrophobicContact CB-CD1 3.84Å; L29-F41 HydrophobicContact CB-CG 3.96Å; L29-F41 HydrophobicContact CD1-CB 4.43Å; L29-F41 HydrophobicContact CD1-CG 4.45Å; L29-F41 HydrophobicContact CD2-CB 3.8Å; L29-F41 HydrophobicContact CG-CB 4.18Å; K30-F41 CarbonylContact O-C 3.48Å; K30-F41 WeakPolarHBondContact O-CA 3.36Å; P31-F41 HydrophobicContact CB-CD1 4.13Å; P31-F41 HydrophobicContact CB-CE1 4.04Å; C39-F41 HydrophobicContact CB-CE2 4.2Å; C39-F41 HydrophobicContact CB-CZ 4.11Å; C39-F41 VanDerWaalsContact O-CD2 3.28Å; C39-F41 WeakPolarHBondContact O-CD2 3.42Å; C39-F41 WeakPolarHBondContact O-CE2 2.86Å
42	N	37.9	Very low	40	Very low	92 Å²	92	98.5 Å²	98.5	49%	0.492	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	139.5	167.2	-96.6	-12.6	0	0	0	110.6	C28 L29 K30 I32 I44	C28-N42 VanDerWaalsContact O-O 3.08Å; L29-N42 WeakPolarHBondContact CA-O 2.89Å; K30-N42 PolarHBondContact N-O 3.36Å; K30-N42 PolarHBondContact O-N 2.9Å; I32-N42 HydrophobicContact CD1-CB 3.91Å; I32-N42 VanDerWaalsContact CD1-ND2 3.33Å; I32-N42 WeakPolarHBondContact CD1-ND2 3.36Å; I32-N42 WeakPolarHBondContact CD1-OD1 3.46Å; I32-N42 HydrophobicContact CG1-CB 4.07Å; N42-I44 PolarHBondContact O-N 2.76Å
43	I	40.8	Very low	39.5	Very low	119 Å²	119	96.9 Å²	96.9	61%	0.61	54%	0.539	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	108.3	171	-61.2	179.2	0	0	0	107.8	Y27 C28 L29	Y27-I43 HydrophobicContact CD1-CG2 3.66Å; Y27-I43 HydrophobicContact CG-CG2 3.62Å; C28-I43 CarbonylContact O-C 3.33Å; C28-I43 WeakPolarHBondContact O-CA 3.36Å; L29-I43 HydrophobicContact CD2-CG1 3.99Å
44	I	42.2	Very low	40	Very low	51 Å²	51	96.3 Å²	96.3	26%	0.262	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	147.7	176.8	56	161.6	0	0	0	111.5	Y27 C28 K30 N42	Y27-I44 CarbonylContact C-O 3.57Å; Y27-I44 WeakPolarHBondContact CA-O 3.36Å; C28-I44 PolarHBondContact N-O 2.86Å; C28-I44 PolarHBondContact O-N 2.01Å; K30-I44 HydrophobicContact CB-CD1 3.72Å; K30-I44 HydrophobicContact CB-CG1 3.97Å; K30-I44 HydrophobicContact CD-CD1 4Å; K30-I44 HydrophobicContact CG-CD1 4.38Å; N42-I44 PolarHBondContact O-N 2.76Å
45	S	40.6	Very low	40.2	Very low	79 Å²	79	96.1 Å²	96.1	55%	0.552	52%	0.524	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.1	137.5	173.4	53.7	0	0	0	0	111.3	T47	S45-T47 PolarHBondContact O-N 3.2Å
46	K	40.5	Very low	40.9	Very low	115 Å²	115	87.9 Å²	87.9	50%	0.5	49%	0.494	S	S	.	.	S	Bend	trans	-49.6	96.7	-179.7	-98.9	-178.2	172.5	168.7	0	113.3	C28 C51	C28-K46 VanDerWaalsContact SG-CG 3.54Å; K46-C51 HydrophobicContact CG-CB 3.91Å
47	T	31.9	Very low	41.2	Very low	116 Å²	116	80.1 Å²	80.1	71%	0.712	46%	0.458	S	S	*	.			trans	-141.5	119.5	158.8	55	0	0	0	0	110	S45	S45-T47 PolarHBondContact O-N 3.2Å
48	G	37.6	Very low	41.4	Very low	48 Å²	48	75 Å²	75	50%	0.495	43%	0.433	S	S	.	.	S	Bend	trans	98.5	168	172.3	0	0	0	0	0	116.6	I50 C51	G48-I50 PolarHBondContact O-N 2.78Å; G48-C51 PolarHBondContact O-N 3.18Å
49	P	38.3	Very low	42.2	Very low	110 Å²	110	73.1 Å²	73.1	71%	0.714	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	4.5	-166.6	27.9	-36	0	0	0	115.4	C51	P49-C51 VanDerWaalsContact C-N 3.29Å
50	I	36.9	Very low	42.4	Very low	113 Å²	113	71.4 Å²	71.4	58%	0.579	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-19.6	174.9	-64.1	170.3	0	0	0	110.9	G48	G48-I50 PolarHBondContact O-N 2.78Å
51	C	36.3	Very low	43	Very low	18 Å²	18	70.4 Å²	70.4	12%	0.122	40%	0.402	C	S	.	.	S	Bend	trans	-101.6	7.3	-176.4	-77.2	0	0	0	0	114	C28 K46 G48 P49	C28-C51 HydrophobicContact CB-CB 4.06Å; C28-C51 WeakPolarHBondContact CB-SG 3.28Å; C28-C51 WeakPolarHBondContact SG-CB 3.16Å; C28-C51 CovalentContact SG-SG 2.01Å; C28-C51 PolarHBondContact SG-SG 2.94Å; K46-C51 HydrophobicContact CG-CB 3.91Å; G48-C51 PolarHBondContact O-N 3.18Å; P49-C51 VanDerWaalsContact C-N 3.29Å
52	D	38.8	Very low	43.4	Very low	105 Å²	105	73 Å²	73	56%	0.561	42%	0.415	S	S	*	.	S	Bend	trans	-63.7	135	178.9	-68.2	-21.9	0	0	0	108	I54	D52-I54 PolarHBondContact O-N 2.92Å
53	P	39.2	Very low	44.2	Very low	74 Å²	74	72.1 Å²	72.1	48%	0.481	42%	0.415	S	S	.	.			trans	-48.6	130.5	172.3	19.2	-30.1	0	0	0	108.7	P55 V58	P53-P55 WeakPolarHBondContact O-CA 3.49Å; P53-P55 WeakPolarHBondContact O-CD 3.36Å; P53-V58 HydrophobicContact CB-CB 3.55Å; P53-V58 HydrophobicContact CB-CG1 3.58Å; P53-V58 HydrophobicContact CB-CG2 3.46Å; P53-V58 VanDerWaalsContact CB-CG2 3.46Å
54	I	47.2	Very low	45	Very low	29 Å²	29	71.8 Å²	71.8	15%	0.149	41%	0.414	C	S	.	.			trans	-52.5	108.8	178.2	-62.7	173.1	0	0	0	106.2	D52 G56 C57 V58 N68 T136	D52-I54 PolarHBondContact O-N 2.92Å; I54-G56 PolarHBondContact O-N 3.09Å; I54-C57 HydrophobicContact CB-CB 4Å; I54-C57 HydrophobicContact CG2-CB 3.77Å; I54-C57 PolarHBondContact O-N 3.13Å; I54-V58 PolarHBondContact O-N 3.18Å; I54-N68 WeakPolarHBondContact CD1-OD1 3.44Å; I54-T136 HydrophobicContact CG2-CG2 3.95Å
55	P	48.5	Very low	45.9	Very low	76 Å²	76	71.5 Å²	71.5	49%	0.494	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-32.4	-160.6	-28.2	34.6	0	0	0	113	P53 N59	P53-P55 WeakPolarHBondContact O-CA 3.49Å; P53-P55 WeakPolarHBondContact O-CD 3.36Å; P55-N59 VanDerWaalsContact O-CG 3.28Å; P55-N59 PolarHBondContact O-ND2 3.37Å; P55-N59 VanDerWaalsContact O-ND2 3.1Å
56	G	49.9	Very low	47.1	Very low	8 Å²	8	68.6 Å²	68.6	8%	0.082	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	3	178.9	0	0	0	0	0	116.2	I54 D60	I54-G56 PolarHBondContact O-N 3.09Å; G56-D60 VanDerWaalsContact O-OD2 3.13Å
57	C	52.7	Low	48.6	Very low	0 Å²	0	66.9 Å²	66.9	0%	0	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.5	-35	-178.5	-173.7	0	0	0	0	112.4	I54 N59 D60 F61 C66 Y82	I54-C57 HydrophobicContact CB-CB 4Å; I54-C57 HydrophobicContact CG2-CB 3.77Å; I54-C57 PolarHBondContact O-N 3.13Å; C57-N59 VanDerWaalsContact C-N 3.27Å; C57-D60 CarbonylContact O-C 3.46Å; C57-D60 PolarHBondContact O-N 2.92Å; C57-F61 PolarHBondContact O-N 3.21Å; C57-C66 HydrophobicContact CB-CB 4.22Å; C57-C66 WeakPolarHBondContact CB-SG 3.42Å; C57-C66 WeakPolarHBondContact SG-CB 3.42Å; C57-C66 CovalentContact SG-SG 2.01Å; C57-C66 PolarHBondContact SG-SG 3.38Å; C57-Y82 HydrophobicContact CB-CD2 3.61Å; C57-Y82 HydrophobicContact CB-CE2 4.07Å; C57-Y82 HydrophobicContact CB-CG 3.84Å; C57-Y82 VanDerWaalsContact SG-CD2 3.5Å
58	V	44.8	Very low	50.8	Low	53 Å²	53	66.1 Å²	66.1	32%	0.321	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-22.6	174.6	179.9	0	0	0	0	111.7	P53 I54	P53-V58 HydrophobicContact CB-CB 3.55Å; P53-V58 HydrophobicContact CB-CG1 3.58Å; P53-V58 HydrophobicContact CB-CG2 3.46Å; P53-V58 VanDerWaalsContact CB-CG2 3.46Å; I54-V58 PolarHBondContact O-N 3.18Å
59	N	51.4	Low	52.9	Low	112 Å²	112	64.4 Å²	64.4	60%	0.599	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-21	165.9	-75.8	-4.8	0	0	0	112.6	P55 C57 I634	P55-N59 VanDerWaalsContact O-CG 3.28Å; P55-N59 PolarHBondContact O-ND2 3.37Å; P55-N59 VanDerWaalsContact O-ND2 3.1Å; C57-N59 VanDerWaalsContact C-N 3.27Å; N59-I634 WeakPolarHBondContact O-CG2 3.41Å
60	D	50.5	Low	55.2	Low	14 Å²	14	63 Å²	63	8%	0.075	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.4	-21	-164	-63.9	23.4	0	0	0	112.7	G56 C57 K104 I634 D635	G56-D60 VanDerWaalsContact O-OD2 3.13Å; C57-D60 CarbonylContact O-C 3.46Å; C57-D60 PolarHBondContact O-N 2.92Å; D60-K104 IonicContact OD2-NZ 3.84Å; D60-I634 VanDerWaalsContact CA-O 3.3Å; D60-I634 WeakPolarHBondContact CA-O 3.43Å; D60-I634 WeakPolarHBondContact CB-O 3.46Å; D60-D635 WeakPolarHBondContact O-CA 3.1Å
61	F	52.8	Low	57.5	Low	57 Å²	57	59 Å²	59	25%	0.25	32%	0.322	C	S	.	.	S	Bend	trans	-147.5	160.8	-171.6	-61.2	-79.9	0	0	0	112.8	C57 Y82 I84	C57-F61 PolarHBondContact O-N 3.21Å; F61-Y82 HydrophobicContact CE2-CE2 4.32Å; F61-I84 HydrophobicContact CD1-CD1 4.3Å; F61-I84 HydrophobicContact CD2-CD1 3.93Å; F61-I84 HydrophobicContact CD2-CG1 4.16Å; F61-I84 HydrophobicContact CE1-CD1 3.8Å; F61-I84 HydrophobicContact CE2-CD1 3.4Å; F61-I84 VanDerWaalsContact CE2-CD1 3.4Å; F61-I84 HydrophobicContact CE2-CG1 4.13Å; F61-I84 HydrophobicContact CG-CD1 4.38Å; F61-I84 HydrophobicContact CG-CG1 4.44Å; F61-I84 HydrophobicContact CZ-CD1 3.34Å; F61-I84 HydrophobicContact CZ-CG1 4.35Å
62	Q	53.1	Low	60.1	Low	143 Å²	143	58.2 Å²	58.2	67%	0.668	32%	0.317	S	S	*	.			trans	-58.3	135.4	169.8	-72.8	-173.7	-19.5	0	0	110.6	D64 C65	Q62-D64 PolarHBondContact O-N 3.21Å; Q62-D64 VanDerWaalsContact O-N 3.13Å; Q62-C65 PolarHBondContact O-N 3.23Å; Q62-C65 VanDerWaalsContact O-N 3.09Å
63	P	54.5	Low	62.6	Low	74 Å²	74	58 Å²	58	48%	0.481	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-53.6	-37.1	-175	-28.3	34.6	0	0	0	114.5	C65 C66	P63-C65 VanDerWaalsContact C-N 3.28Å; P63-C65 PolarHBondContact O-N 2.92Å; P63-C66 PolarHBondContact O-N 3.46Å
64	D	57.4	Low	65.1	Low	112 Å²	112	55 Å²	55	60%	0.599	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-69.2	-26.1	-175.9	-56.7	-29.7	0	0	0	113	Q62 C66	Q62-D64 PolarHBondContact O-N 3.21Å; Q62-D64 VanDerWaalsContact O-N 3.13Å; D64-C66 VanDerWaalsContact C-N 3.33Å
65	C	61.2	Low	67.3	Low	45 Å²	45	58.5 Å²	58.5	30%	0.304	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-79.2	-19.5	177	-64.9	0	0	0	0	112.7	Q62 P63 S85	Q62-C65 PolarHBondContact O-N 3.23Å; Q62-C65 VanDerWaalsContact O-N 3.09Å; P63-C65 VanDerWaalsContact C-N 3.28Å; P63-C65 PolarHBondContact O-N 2.92Å; C65-S85 PolarHBondContact O-N 2.86Å
66	C	64.6	Low	69.4	Low	18 Å²	18	56.4 Å²	56.4	12%	0.122	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	126.5	-169.7	-166.7	0	0	0	0	112.5	C57 P63 D64	C57-C66 HydrophobicContact CB-CB 4.22Å; C57-C66 WeakPolarHBondContact CB-SG 3.42Å; C57-C66 WeakPolarHBondContact SG-CB 3.42Å; C57-C66 CovalentContact SG-SG 2.01Å; C57-C66 PolarHBondContact SG-SG 3.38Å; P63-C66 PolarHBondContact O-N 3.46Å; D64-C66 VanDerWaalsContact C-N 3.33Å
67	K	73.7	Confident	71.4	Confident	80 Å²	80	56.1 Å²	56.1	35%	0.348	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	162.8	175.3	-62.6	-173	-171.7	179.2	0	110.5	Y82 A83 Y99	K67-Y82 CarbonylContact O-C 3.58Å; K67-Y82 WeakPolarHBondContact O-CA 3.37Å; K67-A83 PolarHBondContact N-O 3.4Å; K67-A83 PolarHBondContact O-N 3.22Å; K67-Y99 HydrophobicContact CD-CE1 3.71Å; K67-Y99 PolarHBondContact NZ-OH 3.17Å
68	N	77.2	Confident	73.3	Confident	99 Å²	99	57.7 Å²	57.7	53%	0.529	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	138.9	165.7	-70.9	-35.4	0	0	0	109.3	I54	I54-N68 WeakPolarHBondContact CD1-OD1 3.44Å
69	S	81.8	Confident	75.7	Confident	12 Å²	12	55.1 Å²	55.1	8%	0.084	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-66.7	169.2	168.2	72.7	0	0	0	0	110.2	G81 W103	S69-G81 PolarHBondContact N-O 3.03Å; S69-G81 VanDerWaalsContact N-O 3.15Å; S69-G81 VanDerWaalsContact OG-CA 3.26Å; S69-G81 WeakPolarHBondContact OG-CA 3.41Å; S69-G81 PolarHBondContact OG-N 3.25Å; S69-G81 VanDerWaalsContact OG-N 3.08Å; S69-G81 PolarHBondContact OG-O 2.73Å; S69-W103 PolarHBondContact OG-NE1 2.86Å; S69-W103 VanDerWaalsContact OG-NE1 3.11Å
70	R	85.6	Confident	77.5	Confident	81 Å²	81	53.6 Å²	53.6	31%	0.306	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-57.8	146.1	158.3	-173.7	173.6	55.3	76.7	-0.1	109	W103 K301	R70-W103 WeakPolarHBondContact O-CZ2 3.16Å; R70-W103 PolarHBondContact O-NE1 2.81Å; R70-K301 PolarHBondContact NH1-O 3.36Å; R70-K301 PolarHBondContact NH2-O 3.03Å
71	S	86.3	Confident	79.3	Confident	28 Å²	28	53 Å²	53	20%	0.196	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-73.5	138.1	169.7	48.7	0	0	0	0	110.6	H73 M79	S71-H73 PolarHBondContact OG-NE2 3.08Å; S71-M79 WeakPolarHBondContact CA-O 3.27Å
72	I	90.2	Very high	80.7	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	116	168.2	-60.8	173.5	0	0	0	107	T74 I78 M79 W103 I106 I189 K301 F302	I72-T74 HydrophobicContact CG2-CG2 3.68Å; I72-I78 WeakPolarHBondContact O-CA 3.15Å; I72-M79 HydrophobicContact CB-CB 4.14Å; I72-M79 HydrophobicContact CB-CG 4.43Å; I72-M79 PolarHBondContact N-O 2.81Å; I72-M79 PolarHBondContact O-N 2.83Å; I72-W103 HydrophobicContact CD1-CD2 3.38Å; I72-W103 HydrophobicContact CD1-CE3 3.74Å; I72-W103 HydrophobicContact CD1-CG 3.83Å; I72-W103 HydrophobicContact CD1-CH2 3.97Å; I72-W103 HydrophobicContact CD1-CZ2 3.65Å; I72-W103 HydrophobicContact CD1-CZ3 4.01Å; I72-W103 HydrophobicContact CG1-CD2 4.11Å; I72-W103 HydrophobicContact CG1-CH2 4.16Å; I72-W103 HydrophobicContact CG1-CZ2 3.54Å; I72-I106 HydrophobicContact CD1-CD1 4.38Å; I72-I189 HydrophobicContact CD1-CD1 4.23Å; I72-K301 HydrophobicContact CG2-CB 3.69Å; I72-F302 HydrophobicContact CD1-CB 3.94Å; I72-F302 HydrophobicContact CD1-CD1 4.33Å
73	H	91.3	Very high	82.2	Confident	102 Å²	102	43.8 Å²	43.8	47%	0.472	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	108.2	174.7	-69.1	-107.9	0	0	0	108.3	S71 K301	S71-H73 PolarHBondContact OG-NE2 3.08Å; H73-K301 WeakPolarHBondContact O-CG 3.41Å
74	T	93.3	Very high	83.3	Confident	10 Å²	10	41 Å²	41	6%	0.061	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	167.5	172.4	75.4	0	0	0	0	109.6	I72 Y76 G77 M79 F294 H298	I72-T74 HydrophobicContact CG2-CG2 3.68Å; T74-Y76 PolarHBondContact O-N 3.17Å; T74-Y76 VanDerWaalsContact O-N 3.12Å; T74-Y76 PolarHBondContact OG1-N 2.91Å; T74-G77 PolarHBondContact N-O 2.77Å; T74-G77 PolarHBondContact O-N 2.97Å; T74-G77 PolarHBondContact OG1-N 3.38Å; T74-G77 PolarHBondContact OG1-O 3.09Å; T74-G77 VanDerWaalsContact OG1-O 3.05Å; T74-M79 HydrophobicContact CG2-CE 4.28Å; T74-M79 HydrophobicContact CG2-CG 4.26Å; T74-M79 WeakPolarHBondContact OG1-CE 3.16Å; T74-F294 HydrophobicContact CG2-CZ 4.09Å; T74-H298 VanDerWaalsContact CB-CD2 3.49Å; T74-H298 WeakPolarHBondContact CB-CD2 3.29Å; T74-H298 WeakPolarHBondContact CB-NE2 3.49Å
75	D	91.9	Very high	84.1	Confident	102 Å²	102	37 Å²	37	55%	0.545	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-10.9	174.1	-63	-24.3	0	0	0	112.8	L128 S129 H298	D75-L128 HydrophobicContact CB-CD2 3.88Å; D75-L128 WeakPolarHBondContact O-CA 3.17Å; D75-L128 WeakPolarHBondContact O-CD2 3.38Å; D75-S129 PolarHBondContact O-N 2.73Å; D75-S129 VanDerWaalsContact O-N 3.14Å; D75-H298 PolarHBondContact N-NE2 3.07Å
76	Y	93.7	Very high	84.6	Confident	33 Å²	33	37.1 Å²	37.1	13%	0.129	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	2.2	-174	-47.9	-64	0	0	0	113.5	T74 P125 P126 L128 S129 R290 F294 H298	T74-Y76 PolarHBondContact O-N 3.17Å; T74-Y76 VanDerWaalsContact O-N 3.12Å; T74-Y76 PolarHBondContact OG1-N 2.91Å; Y76-P125 HydrophobicContact CE1-CB 4.31Å; Y76-P126 HydrophobicContact CD1-CB 3.71Å; Y76-P126 HydrophobicContact CD1-CG 4.14Å; Y76-P126 WeakPolarHBondContact CD1-O 2.89Å; Y76-P126 HydrophobicContact CD2-CB 4.42Å; Y76-P126 HydrophobicContact CD2-CG 4.09Å; Y76-P126 HydrophobicContact CE1-CB 4.38Å; Y76-P126 WeakPolarHBondContact CE1-O 2.98Å; Y76-P126 HydrophobicContact CE2-CG 4.45Å; Y76-P126 HydrophobicContact CG-CB 3.73Å; Y76-P126 HydrophobicContact CG-CG 3.91Å; Y76-L128 HydrophobicContact CD1-CD2 4.15Å; Y76-L128 HydrophobicContact CE1-CD2 3.96Å; Y76-S129 CarbonylContact C-O 3.43Å; Y76-S129 VanDerWaalsContact C-O 3.25Å; Y76-R290 VanDerWaalsContact CE2-NH2 3.32Å; Y76-R290 PolarHBondContact OH-NH2 3.19Å; Y76-F294 HydrophobicContact CD2-CD2 4.12Å; Y76-F294 AromaticContact CD2-CE2 3.82Å; Y76-F294 HydrophobicContact CD2-CE2 3.82Å; Y76-F294 HydrophobicContact CE2-CD2 4Å; Y76-F294 HydrophobicContact CE2-CE2 4.17Å; Y76-H298 AromaticContact CE2-CE1 3.83Å
77	G	92	Very high	84.6	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	147.4	174.2	175.8	0	0	0	0	0	113	T74 S129 Q131	T74-G77 PolarHBondContact N-O 2.77Å; T74-G77 PolarHBondContact O-N 2.97Å; T74-G77 PolarHBondContact OG1-N 3.38Å; T74-G77 PolarHBondContact OG1-O 3.09Å; T74-G77 VanDerWaalsContact OG1-O 3.05Å; G77-S129 VanDerWaalsContact CA-O 3.23Å; G77-S129 WeakPolarHBondContact CA-O 3.45Å; G77-S129 PolarHBondContact N-O 2.78Å; G77-Q131 WeakPolarHBondContact CA-O 3.33Å
78	I	92.8	Very high	83.8	Confident	33 Å²	33	39.6 Å²	39.6	17%	0.169	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	108.6	174.5	-53.2	174.2	0	0	0	107.4	I72 Y80 Q131 Y133	I72-I78 WeakPolarHBondContact O-CA 3.15Å; I78-Y80 HydrophobicContact CB-CE2 3.85Å; I78-Y80 HydrophobicContact CG2-CD2 4.35Å; I78-Y80 HydrophobicContact CG2-CE2 3.53Å; I78-Y80 WeakPolarHBondContact O-CD2 3.27Å; I78-Y80 VanDerWaalsContact O-CE2 3.24Å; I78-Y80 WeakPolarHBondContact O-CE2 2.93Å; I78-Q131 PolarHBondContact N-O 3.1Å; I78-Y133 PolarHBondContact O-N 3.37Å
79	M	93.6	Very high	82.4	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	122.6	-175.6	-45.8	-64.9	168.3	0	0	110.3	S71 I72 T74 I106 Y133 A135	S71-M79 WeakPolarHBondContact CA-O 3.27Å; I72-M79 HydrophobicContact CB-CB 4.14Å; I72-M79 HydrophobicContact CB-CG 4.43Å; I72-M79 PolarHBondContact N-O 2.81Å; I72-M79 PolarHBondContact O-N 2.83Å; T74-M79 HydrophobicContact CG2-CE 4.28Å; T74-M79 HydrophobicContact CG2-CG 4.26Å; T74-M79 WeakPolarHBondContact OG1-CE 3.16Å; M79-I106 HydrophobicContact CB-CD1 4.29Å; M79-I106 HydrophobicContact CB-CG1 4.41Å; M79-I106 HydrophobicContact CE-CG2 4.11Å; M79-I106 HydrophobicContact CG-CD1 4.2Å; M79-I106 HydrophobicContact CG-CG1 4.22Å; M79-I106 HydrophobicContact CG-CG2 4.35Å; M79-I106 HydrophobicContact SD-CG1 4.36Å; M79-I106 HydrophobicContact SD-CG2 4.13Å; M79-Y133 VanDerWaalsContact SD-CB 3.59Å; M79-Y133 HydrophobicContact SD-CD1 3.58Å; M79-Y133 VanDerWaalsContact SD-CD1 3.58Å; M79-Y133 HydrophobicContact SD-CG 3.72Å; M79-A135 HydrophobicContact CB-CB 4.39Å
80	Y	89.4	Confident	80.7	Confident	79 Å²	79	51.4 Å²	51.4	31%	0.31	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	116.2	177.3	-66	-94.7	0	0	0	109.5	I78 K132 Y133 A135	I78-Y80 HydrophobicContact CB-CE2 3.85Å; I78-Y80 HydrophobicContact CG2-CD2 4.35Å; I78-Y80 HydrophobicContact CG2-CE2 3.53Å; I78-Y80 WeakPolarHBondContact O-CD2 3.27Å; I78-Y80 VanDerWaalsContact O-CE2 3.24Å; I78-Y80 WeakPolarHBondContact O-CE2 2.93Å; Y80-K132 HydrophobicContact CD2-CB 4.08Å; Y80-K132 HydrophobicContact CE2-CB 3.58Å; Y80-K132 HydrophobicContact CE2-CD 3.89Å; Y80-K132 HydrophobicContact CE2-CG 3.58Å; Y80-Y133 PolarHBondContact N-O 3.03Å; Y80-A135 CarbonylContact O-C 3.59Å; Y80-A135 VanDerWaalsContact O-CA 3.29Å; Y80-A135 WeakPolarHBondContact O-CA 3.46Å; Y80-A135 WeakPolarHBondContact O-CB 3.38Å; Y80-A135 PolarHBondContact O-N 2.95Å
81	G	89.4	Confident	78.8	Confident	2 Å²	2	49.5 Å²	49.5	2%	0.021	25%	0.249	C	C	.	.			trans	-112.3	-163.7	173.5	0	0	0	0	0	110.6	S69 I102 W103	S69-G81 PolarHBondContact N-O 3.03Å; S69-G81 VanDerWaalsContact N-O 3.15Å; S69-G81 VanDerWaalsContact OG-CA 3.26Å; S69-G81 WeakPolarHBondContact OG-CA 3.41Å; S69-G81 PolarHBondContact OG-N 3.25Å; S69-G81 VanDerWaalsContact OG-N 3.08Å; S69-G81 PolarHBondContact OG-O 2.73Å; G81-I102 CarbonylContact C-O 3.52Å; G81-I102 WeakPolarHBondContact CA-O 3.13Å; G81-W103 VanDerWaalsContact N-CD1 3.26Å
82	Y	82.7	Confident	76.5	Confident	4 Å²	4	58.9 Å²	58.9	2%	0.016	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	161.2	175.9	67.4	-85.6	0	0	0	110.7	C57 F61 K67 I84 I102 K104 T136	C57-Y82 HydrophobicContact CB-CD2 3.61Å; C57-Y82 HydrophobicContact CB-CE2 4.07Å; C57-Y82 HydrophobicContact CB-CG 3.84Å; C57-Y82 VanDerWaalsContact SG-CD2 3.5Å; F61-Y82 HydrophobicContact CE2-CE2 4.32Å; K67-Y82 CarbonylContact O-C 3.58Å; K67-Y82 WeakPolarHBondContact O-CA 3.37Å; Y82-I84 HydrophobicContact CD2-CG1 4.36Å; Y82-I84 HydrophobicContact CE2-CD1 4.18Å; Y82-I84 HydrophobicContact CE2-CG1 4.25Å; Y82-I102 HydrophobicContact CD1-CB 4.44Å; Y82-I102 HydrophobicContact CE1-CB 4.07Å; Y82-I102 HydrophobicContact CE1-CG2 3.89Å; Y82-I102 HydrophobicContact CE2-CB 4.22Å; Y82-I102 HydrophobicContact CE2-CD1 3.76Å; Y82-I102 HydrophobicContact CE2-CG1 4.43Å; Y82-I102 PolarHBondContact N-O 2.91Å; Y82-I102 PolarHBondContact O-N 2.9Å; Y82-K104 HydrophobicContact CE1-CD 4.27Å; Y82-K104 WeakPolarHBondContact OH-CE 3.43Å; Y82-K104 PolarHBondContact OH-NZ 3.07Å; Y82-T136 HydrophobicContact CD1-CG2 4.49Å; Y82-T136 WeakPolarHBondContact CE1-O 3.3Å
83	A	83.4	Confident	74.7	Confident	2 Å²	2	63.4 Å²	63.4	2%	0.017	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	141.4	-179.2	0	0	0	0	0	110.7	K67 L100 Q101	K67-A83 PolarHBondContact N-O 3.4Å; K67-A83 PolarHBondContact O-N 3.22Å; A83-L100 CarbonylContact C-O 3.6Å; A83-L100 WeakPolarHBondContact CA-O 3.17Å; A83-Q101 HydrophobicContact CB-CG 4.47Å
84	I	77.2	Confident	72.8	Confident	17 Å²	17	67.3 Å²	67.3	9%	0.087	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	126.1	178	-58.1	160.6	0	0	0	107.6	F61 Y82 L86 Y99 L100 I102	F61-I84 HydrophobicContact CD1-CD1 4.3Å; F61-I84 HydrophobicContact CD2-CD1 3.93Å; F61-I84 HydrophobicContact CD2-CG1 4.16Å; F61-I84 HydrophobicContact CE1-CD1 3.8Å; F61-I84 HydrophobicContact CE2-CD1 3.4Å; F61-I84 VanDerWaalsContact CE2-CD1 3.4Å; F61-I84 HydrophobicContact CE2-CG1 4.13Å; F61-I84 HydrophobicContact CG-CD1 4.38Å; F61-I84 HydrophobicContact CG-CG1 4.44Å; F61-I84 HydrophobicContact CZ-CD1 3.34Å; F61-I84 HydrophobicContact CZ-CG1 4.35Å; Y82-I84 HydrophobicContact CD2-CG1 4.36Å; Y82-I84 HydrophobicContact CE2-CD1 4.18Å; Y82-I84 HydrophobicContact CE2-CG1 4.25Å; I84-L86 PolarHBondContact O-N 3.29Å; I84-Y99 WeakPolarHBondContact O-CA 3.35Å; I84-L100 HydrophobicContact CD1-CD2 4.18Å; I84-L100 PolarHBondContact N-O 3.38Å; I84-L100 PolarHBondContact O-N 3.15Å; I84-I102 HydrophobicContact CD1-CD1 3.84Å
85	S	76	Confident	71.1	Confident	26 Å²	26	70.8 Å²	70.8	18%	0.182	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	121.8	170	-168.8	0	0	0	0	109.4	C65 D87	C65-S85 PolarHBondContact O-N 2.86Å; S85-D87 PolarHBondContact OG-O 2.76Å
86	L	70.3	Confident	69.9	Low	49 Å²	49	67.3 Å²	67.3	26%	0.257	33%	0.328	S	S	.	.			trans	-88.6	-20.8	178.1	-62.5	179.9	0	0	0	112.7	I84 R98 L100 L192 Q237	I84-L86 PolarHBondContact O-N 3.29Å; L86-R98 HydrophobicContact CB-CB 4.36Å; L86-R98 PolarHBondContact N-O 2.96Å; L86-L100 HydrophobicContact CD1-CB 4.21Å; L86-L100 HydrophobicContact CD2-CB 4.01Å; L86-L100 HydrophobicContact CG-CB 4.18Å; L86-L192 HydrophobicContact CD1-CD1 3.49Å; L86-L192 VanDerWaalsContact CD1-CD1 3.49Å; L86-Q237 HydrophobicContact CD1-CG 3.98Å
87	D	65.6	Low	68.9	Low	25 Å²	25	71 Å²	71	13%	0.134	35%	0.345	C	S	.	.	S	Bend	trans	-95.4	134.7	178.1	-52	-49.4	0	0	0	110.1	S85 R98	S85-D87 PolarHBondContact OG-O 2.76Å; D87-R98 IonicContact OD1-CZ 3.4Å; D87-R98 IonicContact OD1-NE 3.08Å; D87-R98 PolarHBondContact OD1-NE 2.9Å; D87-R98 VanDerWaalsContact OD1-NE 3.08Å; D87-R98 IonicContact OD1-NH2 2.81Å; D87-R98 PolarHBondContact OD1-NH2 3.03Å; D87-R98 WeakPolarHBondContact OD2-CB 3.07Å; D87-R98 PolarHBondContact OD2-N 2.71Å; D87-R98 IonicContact OD2-NE 3.72Å
88	N	55.4	Low	68.2	Low	125 Å²	125	75.1 Å²	75.1	67%	0.668	36%	0.36	S	S	*	.			trans	-69.3	152.7	176.3	-70.3	-4.8	0	0	0	110.7	Y90 G91	N88-Y90 PolarHBondContact O-N 2.76Å; N88-Y90 VanDerWaalsContact O-N 3.1Å; N88-G91 PolarHBondContact O-N 2.01Å
89	E	48.7	Very low	67.8	Low	170 Å²	170	75 Å²	75	79%	0.794	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-26.5	170.3	-64.1	-169.9	152.3	0	0	113.2
90	Y	45.6	Very low	67.3	Low	189 Å²	189	75.2 Å²	75.2	74%	0.741	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-5.1	177.2	-54.5	-76.5	0	0	0	114	N88 Y92	N88-Y90 PolarHBondContact O-N 2.76Å; N88-Y90 VanDerWaalsContact O-N 3.1Å; Y90-Y92 VanDerWaalsContact O-CD2 3.3Å; Y90-Y92 WeakPolarHBondContact O-CD2 3.5Å; Y90-Y92 PolarHBondContact O-N 2.86Å
91	G	46.3	Very low	67.3	Low	40 Å²	40	71.8 Å²	71.8	41%	0.412	35%	0.345	S	S	.	.			trans	-73.2	95.5	172.5	0	0	0	0	0	108	N88 Q93	N88-G91 PolarHBondContact O-N 2.01Å; G91-Q93 PolarHBondContact O-N 2.73Å
92	Y	37.9	Very low	67.3	Low	225 Å²	225	71.9 Å²	71.9	88%	0.882	35%	0.346	S	S	*	.			trans	-64.7	75.2	171.1	-65.5	-89.9	0	0	0	109.8	Y90	Y90-Y92 VanDerWaalsContact O-CD2 3.3Å; Y90-Y92 WeakPolarHBondContact O-CD2 3.5Å; Y90-Y92 PolarHBondContact O-N 2.86Å
93	Q	51.2	Low	67.9	Low	98 Å²	98	71.7 Å²	71.7	46%	0.458	35%	0.345	S	S	.	.			trans	-85.6	113.8	151	-68.1	-163.9	-22.7	0	0	105.7	G91 N95	G91-Q93 PolarHBondContact O-N 2.73Å; Q93-N95 PolarHBondContact O-N 2.06Å
94	E	52.2	Low	68.2	Low	184 Å²	184	72.1 Å²	72.1	86%	0.86	35%	0.346	S	S	*	.	S	Bend	trans	-59.7	-26.1	179.8	-71.9	-178.4	159.3	0	0	111.6
95	N	58.7	Low	69	Low	83 Å²	83	71.3 Å²	71.3	44%	0.444	34%	0.342	S	S	.	.	S	Bend	trans	-134.3	118.9	-174.8	-57.1	-40.9	0	0	0	111.6	Q93 T198	Q93-N95 PolarHBondContact O-N 2.06Å; N95-T198 HydrophobicContact CB-CG2 3.83Å
96	G	65	Low	69.9	Low	29 Å²	29	70.1 Å²	70.1	30%	0.299	33%	0.334	S	S	.	.			trans	79.6	161.5	170.8	0	0	0	0	0	117.2
97	K	72.8	Confident	71.2	Confident	109 Å²	109	68.8 Å²	68.8	47%	0.474	33%	0.328	S	S	.	.			trans	-126.5	144.3	175	-63.3	-172.6	177	-169.2	0	110.7	Y99 T195	K97-Y99 HydrophobicContact CB-CE2 3.75Å; K97-Y99 WeakPolarHBondContact CD-OH 3.39Å; K97-T195 WeakPolarHBondContact CA-OG1 3.42Å; K97-T195 PolarHBondContact N-OG1 3.19Å; K97-T195 PolarHBondContact O-N 3.24Å; K97-T195 PolarHBondContact O-OG1 3.05Å
98	R	78.8	Confident	72.8	Confident	89 Å²	89	67.6 Å²	67.6	34%	0.336	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	134.4	176.8	-59.8	-177.1	-68.6	170.4	1.5	111.4	L86 D87 L192 Y193 E194	L86-R98 HydrophobicContact CB-CB 4.36Å; L86-R98 PolarHBondContact N-O 2.96Å; D87-R98 IonicContact OD1-CZ 3.4Å; D87-R98 IonicContact OD1-NE 3.08Å; D87-R98 PolarHBondContact OD1-NE 2.9Å; D87-R98 VanDerWaalsContact OD1-NE 3.08Å; D87-R98 IonicContact OD1-NH2 2.81Å; D87-R98 PolarHBondContact OD1-NH2 3.03Å; D87-R98 WeakPolarHBondContact OD2-CB 3.07Å; D87-R98 PolarHBondContact OD2-N 2.71Å; D87-R98 IonicContact OD2-NE 3.72Å; R98-L192 HydrophobicContact CB-CD1 4.37Å; R98-Y193 CarbonylContact C-O 3.59Å; R98-Y193 WeakPolarHBondContact CA-O 3.18Å; R98-E194 HydrophobicContact CG-CG 4.04Å
99	Y	83.4	Confident	74.8	Confident	30 Å²	30	61.9 Å²	61.9	12%	0.118	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	127.7	-179.3	-62.6	-78.7	0	0	0	109.9	K67 I84 K97 Y193 T195	K67-Y99 HydrophobicContact CD-CE1 3.71Å; K67-Y99 PolarHBondContact NZ-OH 3.17Å; I84-Y99 WeakPolarHBondContact O-CA 3.35Å; K97-Y99 HydrophobicContact CB-CE2 3.75Å; K97-Y99 WeakPolarHBondContact CD-OH 3.39Å; Y99-Y193 HydrophobicContact CD2-CD1 4.09Å; Y99-Y193 PolarHBondContact N-O 2.68Å; Y99-Y193 PolarHBondContact O-N 3.33Å; Y99-T195 HydrophobicContact CD2-CG2 4.21Å; Y99-T195 HydrophobicContact CE2-CG2 3.87Å
100	L	83.6	Confident	77.2	Confident	5 Å²	5	56.2 Å²	56.2	3%	0.026	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	112.5	165.4	172.3	69.3	0	0	0	107.8	A83 I84 L86 I102 N191 H233 A236	A83-L100 CarbonylContact C-O 3.6Å; A83-L100 WeakPolarHBondContact CA-O 3.17Å; I84-L100 HydrophobicContact CD1-CD2 4.18Å; I84-L100 PolarHBondContact N-O 3.38Å; I84-L100 PolarHBondContact O-N 3.15Å; L86-L100 HydrophobicContact CD1-CB 4.21Å; L86-L100 HydrophobicContact CD2-CB 4.01Å; L86-L100 HydrophobicContact CG-CB 4.18Å; L100-I102 HydrophobicContact CD2-CD1 4.02Å; L100-I102 HydrophobicContact CD2-CG1 4.46Å; L100-I102 HydrophobicContact CG-CD1 4.19Å; L100-I102 HydrophobicContact CG-CG1 4.09Å; L100-N191 CarbonylContact C-O 3.48Å; L100-H233 HydrophobicContact CD1-CB 4.33Å; L100-H233 HydrophobicContact CD2-CB 3.56Å; L100-A236 HydrophobicContact CD1-CB 3.85Å
101	Q	89.7	Confident	79.6	Confident	6 Å²	6	49.1 Å²	49.1	3%	0.028	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	139.3	178.5	-29.4	-173.6	-72.1	0	0	110.5	A83 W103 Y190 N191	A83-Q101 HydrophobicContact CB-CG 4.47Å; Q101-W103 HydrophobicContact CB-CE3 4.49Å; Q101-W103 HydrophobicContact CB-CH2 3.49Å; Q101-W103 VanDerWaalsContact CB-CH2 3.49Å; Q101-W103 HydrophobicContact CB-CZ2 4.17Å; Q101-W103 HydrophobicContact CB-CZ3 3.68Å; Q101-W103 HydrophobicContact CG-CH2 4.26Å; Q101-Y190 WeakPolarHBondContact O-CA 3.44Å; Q101-N191 WeakPolarHBondContact CB-OD1 3.26Å; Q101-N191 WeakPolarHBondContact CG-OD1 3.47Å; Q101-N191 PolarHBondContact N-O 3.38Å; Q101-N191 PolarHBondContact O-N 3.41Å; Q101-N191 PolarHBondContact OE1-OD1 3.49Å
102	I	89.7	Confident	82	Confident	5 Å²	5	47.5 Å²	47.5	3%	0.026	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	125.5	-170.4	-54.5	-179.5	0	0	0	109.1	G81 Y82 I84 L100 K104 I189 Y190	G81-I102 CarbonylContact C-O 3.52Å; G81-I102 WeakPolarHBondContact CA-O 3.13Å; Y82-I102 HydrophobicContact CD1-CB 4.44Å; Y82-I102 HydrophobicContact CE1-CB 4.07Å; Y82-I102 HydrophobicContact CE1-CG2 3.89Å; Y82-I102 HydrophobicContact CE2-CB 4.22Å; Y82-I102 HydrophobicContact CE2-CD1 3.76Å; Y82-I102 HydrophobicContact CE2-CG1 4.43Å; Y82-I102 PolarHBondContact N-O 2.91Å; Y82-I102 PolarHBondContact O-N 2.9Å; I84-I102 HydrophobicContact CD1-CD1 3.84Å; L100-I102 HydrophobicContact CD2-CD1 4.02Å; L100-I102 HydrophobicContact CD2-CG1 4.46Å; L100-I102 HydrophobicContact CG-CD1 4.19Å; L100-I102 HydrophobicContact CG-CG1 4.09Å; I102-K104 HydrophobicContact CG2-CD 4.39Å; I102-K104 HydrophobicContact CG2-CG 3.91Å; I102-I189 WeakPolarHBondContact CA-O 3.38Å; I102-Y190 HydrophobicContact CB-CD1 4.39Å; I102-Y190 HydrophobicContact CD1-CD1 4.23Å; I102-Y190 HydrophobicContact CD1-CE1 4.43Å; I102-Y190 HydrophobicContact CG1-CD1 3.94Å; I102-Y190 HydrophobicContact CG1-CE1 4.43Å; I102-Y190 HydrophobicContact CG2-CD1 3.85Å; I102-Y190 HydrophobicContact CG2-CE1 3.66Å
103	W	93.6	Very high	84.8	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	120.4	168.1	-57	-100.1	0	0	0	108.8	S69 R70 I72 G81 Q101 I106 A135 N188 I189 N191	S69-W103 PolarHBondContact OG-NE1 2.86Å; S69-W103 VanDerWaalsContact OG-NE1 3.11Å; R70-W103 WeakPolarHBondContact O-CZ2 3.16Å; R70-W103 PolarHBondContact O-NE1 2.81Å; I72-W103 HydrophobicContact CD1-CD2 3.38Å; I72-W103 HydrophobicContact CD1-CE3 3.74Å; I72-W103 HydrophobicContact CD1-CG 3.83Å; I72-W103 HydrophobicContact CD1-CH2 3.97Å; I72-W103 HydrophobicContact CD1-CZ2 3.65Å; I72-W103 HydrophobicContact CD1-CZ3 4.01Å; I72-W103 HydrophobicContact CG1-CD2 4.11Å; I72-W103 HydrophobicContact CG1-CH2 4.16Å; I72-W103 HydrophobicContact CG1-CZ2 3.54Å; G81-W103 VanDerWaalsContact N-CD1 3.26Å; Q101-W103 HydrophobicContact CB-CE3 4.49Å; Q101-W103 HydrophobicContact CB-CH2 3.49Å; Q101-W103 VanDerWaalsContact CB-CH2 3.49Å; Q101-W103 HydrophobicContact CB-CZ2 4.17Å; Q101-W103 HydrophobicContact CB-CZ3 3.68Å; Q101-W103 HydrophobicContact CG-CH2 4.26Å; W103-I106 HydrophobicContact CB-CD1 3.55Å; W103-I106 HydrophobicContact CB-CG1 4.11Å; W103-I106 HydrophobicContact CG-CD1 4.18Å; W103-A135 CarbonylContact C-O 3.53Å; W103-A135 WeakPolarHBondContact CA-O 3.26Å; W103-A135 HydrophobicContact CB-CB 4.03Å; W103-N188 CarbonylContact O-C 3.5Å; W103-N188 VanDerWaalsContact O-CA 3.23Å; W103-N188 WeakPolarHBondContact O-CA 3.39Å; W103-I189 HydrophobicContact CE3-CB 4.01Å; W103-I189 HydrophobicContact CE3-CG2 3.98Å; W103-I189 HydrophobicContact CZ3-CG2 4.21Å; W103-I189 PolarHBondContact N-O 3.28Å; W103-I189 PolarHBondContact O-N 2.96Å; W103-N191 WeakPolarHBondContact CZ3-OD1 3.35Å
104	K	90.5	Very high	86.8	Confident	11 Å²	11	37 Å²	37	5%	0.048	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	136.8	179.6	-63.5	172.6	177.2	172.8	0	109.2	D60 Y82 I102 A135 Y137 F138 N188	D60-K104 IonicContact OD2-NZ 3.84Å; Y82-K104 HydrophobicContact CE1-CD 4.27Å; Y82-K104 WeakPolarHBondContact OH-CE 3.43Å; Y82-K104 PolarHBondContact OH-NZ 3.07Å; I102-K104 HydrophobicContact CG2-CD 4.39Å; I102-K104 HydrophobicContact CG2-CG 3.91Å; K104-A135 PolarHBondContact N-O 2.71Å; K104-A135 CarbonylContact O-C 3.52Å; K104-A135 VanDerWaalsContact O-C 3.23Å; K104-A135 WeakPolarHBondContact O-CA 3.41Å; K104-A135 WeakPolarHBondContact O-CB 3.29Å; K104-Y137 CarbonylContact C-O 3.5Å; K104-Y137 WeakPolarHBondContact CB-O 3.16Å; K104-F138 HydrophobicContact CB-CD1 4.02Å; K104-F138 HydrophobicContact CB-CE1 4.33Å; K104-F138 HydrophobicContact CB-CG 4.41Å; K104-F138 HydrophobicContact CD-CD1 4.03Å; K104-F138 HydrophobicContact CD-CD2 3.88Å; K104-F138 HydrophobicContact CD-CE1 3.9Å; K104-F138 HydrophobicContact CD-CE2 3.75Å; K104-F138 HydrophobicContact CD-CG 4.03Å; K104-F138 HydrophobicContact CD-CZ 3.76Å; K104-F138 HydrophobicContact CG-CD1 3.97Å; K104-F138 HydrophobicContact CG-CE1 3.8Å; K104-F138 HydrophobicContact CG-CG 4.42Å; K104-F138 HydrophobicContact CG-CZ 4.12Å; K104-N188 VanDerWaalsContact CA-OD1 3.3Å; K104-N188 WeakPolarHBondContact CA-OD1 3.41Å
105	G	93.4	Very high	88.8	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	78.4	31.7	170.8	0	0	0	0	0	115.9	P107 Y133 Y186 L187 N188	G105-P107 WeakPolarHBondContact O-CD 3.07Å; G105-Y133 VanDerWaalsContact O-CE1 3.31Å; G105-Y133 WeakPolarHBondContact O-CE1 3.37Å; G105-Y133 PolarHBondContact O-OH 3.16Å; G105-Y186 WeakPolarHBondContact O-CD1 3.38Å; G105-L187 PolarHBondContact N-O 3.49Å; G105-N188 PolarHBondContact N-OD1 2.79Å
106	I	96.5	Very high	90.6	Very high	1 Å²	1	37 Å²	37	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	124.1	175.8	-64.7	174	0	0	0	109.3	I72 M79 W103 Y108 A135 Y186 L187 I189 F294	I72-I106 HydrophobicContact CD1-CD1 4.38Å; M79-I106 HydrophobicContact CB-CD1 4.29Å; M79-I106 HydrophobicContact CB-CG1 4.41Å; M79-I106 HydrophobicContact CE-CG2 4.11Å; M79-I106 HydrophobicContact CG-CD1 4.2Å; M79-I106 HydrophobicContact CG-CG1 4.22Å; M79-I106 HydrophobicContact CG-CG2 4.35Å; M79-I106 HydrophobicContact SD-CG1 4.36Å; M79-I106 HydrophobicContact SD-CG2 4.13Å; W103-I106 HydrophobicContact CB-CD1 3.55Å; W103-I106 HydrophobicContact CB-CG1 4.11Å; W103-I106 HydrophobicContact CG-CD1 4.18Å; I106-Y108 PolarHBondContact O-N 2.97Å; I106-A135 HydrophobicContact CG1-CB 4Å; I106-Y186 CarbonylContact O-C 3.43Å; I106-Y186 VanDerWaalsContact O-CA 3.29Å; I106-Y186 WeakPolarHBondContact O-CA 3.48Å; I106-L187 HydrophobicContact CB-CD1 3.86Å; I106-L187 HydrophobicContact CB-CG 4.39Å; I106-L187 HydrophobicContact CD1-CD1 4.35Å; I106-L187 HydrophobicContact CG2-CD1 4.23Å; I106-L187 PolarHBondContact N-O 2.73Å; I106-L187 PolarHBondContact O-N 3.21Å; I106-I189 HydrophobicContact CD1-CD1 3.7Å; I106-I189 HydrophobicContact CD1-CG1 4.14Å; I106-F294 HydrophobicContact CG2-CE1 4.06Å; I106-F294 HydrophobicContact CG2-CE2 4.33Å; I106-F294 HydrophobicContact CG2-CZ 3.54Å
107	P	97.3	Very high	92	Very high	20 Å²	20	39.4 Å²	39.4	13%	0.13	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	124.5	177.7	28.4	-32.3	0	0	0	110.6	G105 P126 Y133 Y186	G105-P107 WeakPolarHBondContact O-CD 3.07Å; P107-P126 WeakPolarHBondContact O-CG 3.45Å; P107-Y133 HydrophobicContact CG-CE2 4.04Å; P107-Y186 HydrophobicContact CB-CD1 3.98Å; P107-Y186 HydrophobicContact CB-CE1 3.82Å; P107-Y186 HydrophobicContact CG-CE1 4.5Å
108	Y	98.1	Very high	93.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	-100.4	-9.1	173.2	66.1	-100.2	0	0	0	112.7	I106 P126 L185 L187 V245 N246 D287 R290 A291	I106-Y108 PolarHBondContact O-N 2.97Å; Y108-P126 WeakPolarHBondContact O-CD 3.29Å; Y108-L185 VanDerWaalsContact CD1-O 3.28Å; Y108-L185 WeakPolarHBondContact CD1-O 3.44Å; Y108-L185 HydrophobicContact CE1-CB 4.06Å; Y108-L185 WeakPolarHBondContact CE1-O 3.27Å; Y108-L185 HydrophobicContact CE2-CB 4Å; Y108-L185 PolarHBondContact N-O 3.05Å; Y108-L185 WeakPolarHBondContact OH-CD2 3.29Å; Y108-L187 HydrophobicContact CD1-CB 4.26Å; Y108-L187 HydrophobicContact CD1-CD2 4.07Å; Y108-L187 HydrophobicContact CD1-CG 4.25Å; Y108-L187 HydrophobicContact CG-CD2 4.35Å; Y108-V245 HydrophobicContact CD1-CG1 4.22Å; Y108-V245 HydrophobicContact CE1-CG1 3.52Å; Y108-N246 WeakPolarHBondContact CE1-O 3.41Å; Y108-N246 PolarHBondContact OH-O 3.17Å; Y108-D287 HydrophobicContact CE2-CB 4.47Å; Y108-D287 VanDerWaalsContact CE2-O 3.31Å; Y108-D287 WeakPolarHBondContact CE2-O 3.44Å; Y108-R290 HydrophobicContact CD2-CB 4.39Å; Y108-R290 HydrophobicContact CD2-CG 4.04Å; Y108-R290 WeakPolarHBondContact O-CG 3.1Å; Y108-R290 PolarHBondContact O-NE 3.37Å; Y108-R290 PolarHBondContact O-NH2 3.47Å; Y108-A291 HydrophobicContact CD1-CB 4.13Å; Y108-A291 HydrophobicContact CD2-CB 3.84Å; Y108-A291 HydrophobicContact CE1-CB 4.16Å; Y108-A291 HydrophobicContact CE2-CB 3.88Å; Y108-A291 HydrophobicContact CG-CB 3.96Å
109	A	98.3	Very high	93.9	Very high	5 Å²	5	31.1 Å²	31.1	4%	0.041	15%	0.154	C	C	.	.	S	Bend	trans	-150.7	164.4	176.1	0	0	0	0	0	111.2	P123 I124 L185 R290	A109-P123 HydrophobicContact CB-CB 3.88Å; A109-I124 CarbonylContact C-O 3.53Å; A109-I124 VanDerWaalsContact CA-O 3.23Å; A109-I124 WeakPolarHBondContact CA-O 3.18Å; A109-I124 WeakPolarHBondContact CB-O 3.35Å; A109-L185 HydrophobicContact CB-CB 4.06Å; A109-L185 HydrophobicContact CB-CD1 3.57Å; A109-L185 HydrophobicContact CB-CG 4.48Å; A109-R290 HydrophobicContact CB-CG 4.14Å
110	Q	97.8	Very high	94.5	Very high	51 Å²	51	29.8 Å²	29.8	24%	0.238	15%	0.149	C	C	.	.			trans	-66.5	148.7	169.5	-72.4	-178.4	42.7	0	0	111.2	P112 L118 I124 P125 I127	Q110-P112 WeakPolarHBondContact O-CD 3.13Å; Q110-L118 HydrophobicContact CB-CD1 4.08Å; Q110-I124 PolarHBondContact N-O 2.8Å; Q110-P125 WeakPolarHBondContact CG-O 3.3Å; Q110-P125 PolarHBondContact NE2-O 3.1Å; Q110-P125 VanDerWaalsContact NE2-O 3.07Å; Q110-I127 HydrophobicContact CG-CG1 4.49Å
111	P	97	Very high	95.1	Very high	41 Å²	41	33.7 Å²	33.7	27%	0.266	16%	0.164	S	C	.	.			trans	-64.2	119.9	-178.2	26.5	-35.6	0	0	0	111	T113 N116 D183	P111-T113 HydrophobicContact CB-CG2 3.9Å; P111-T113 PolarHBondContact O-N 3.37Å; P111-N116 PolarHBondContact O-ND2 3.34Å; P111-N116 PolarHBondContact O-OD1 2.79Å; P111-D183 HydrophobicContact CB-CB 3.79Å; P111-D183 WeakPolarHBondContact CB-OD1 3.22Å
112	P	96.8	Very high	95.4	Very high	5 Å²	5	38.2 Å²	38.2	3%	0.032	18%	0.181	C	C	.	.			trans	-82.1	55.7	-173.9	34.7	-38.9	0	0	0	112.4	Q110 R119 E182 L185 R248	Q110-P112 WeakPolarHBondContact O-CD 3.13Å; P112-R119 WeakPolarHBondContact O-CA 3.39Å; P112-R119 PolarHBondContact O-N 2.85Å; P112-E182 WeakPolarHBondContact CD-O 3.37Å; P112-E182 WeakPolarHBondContact CG-O 3.26Å; P112-L185 HydrophobicContact CB-CD1 4.44Å; P112-L185 HydrophobicContact CG-CD1 3.78Å; P112-L185 HydrophobicContact CG-CD2 4.43Å; P112-L185 HydrophobicContact CG-CG 3.94Å; P112-R248 HydrophobicContact CG-CG 4.1Å
113	T	96.9	Very high	95.9	Very high	22 Å²	22	38.9 Å²	38.9	14%	0.135	19%	0.185	C	C	.	.			trans	-92.2	166.1	-167.2	67.9	0	0	0	0	113.7	P111 K115 N116 N117 L118 R119 E182 D183	P111-T113 HydrophobicContact CB-CG2 3.9Å; P111-T113 PolarHBondContact O-N 3.37Å; T113-K115 PolarHBondContact OG1-N 2.86Å; T113-N116 PolarHBondContact N-OD1 3.33Å; T113-N116 VanDerWaalsContact N-OD1 3.15Å; T113-N116 PolarHBondContact O-OD1 2.95Å; T113-N116 VanDerWaalsContact OG1-CG 3.29Å; T113-N116 PolarHBondContact OG1-N 3.18Å; T113-N116 PolarHBondContact OG1-OD1 3.27Å; T113-N117 PolarHBondContact O-N 3.21Å; T113-L118 PolarHBondContact O-N 2.81Å; T113-R119 PolarHBondContact O-N 3.21Å; T113-R119 VanDerWaalsContact O-N 3.17Å; T113-E182 HydrophobicContact CG2-CB 3.95Å; T113-D183 HydrophobicContact CG2-CB 4.17Å
114	Q	93.8	Very high	96	Very high	80 Å²	80	42.3 Å²	42.3	37%	0.374	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-43.5	165.2	176.3	175.2	3.8	0	0	113	N116 N117 R119 R387 S388 R389	Q114-N116 VanDerWaalsContact C-N 3.3Å; Q114-N116 PolarHBondContact O-N 3.32Å; Q114-N117 PolarHBondContact O-N 3.19Å; Q114-R119 VanDerWaalsContact OE1-NH2 3.08Å; Q114-R387 VanDerWaalsContact CG-O 3.27Å; Q114-R387 WeakPolarHBondContact CG-O 3.24Å; Q114-R387 PolarHBondContact NE2-O 3.42Å; Q114-S388 PolarHBondContact NE2-O 3.23Å; Q114-R389 PolarHBondContact OE1-O 3.1Å
115	K	94.1	Very high	96.4	Very high	207 Å²	207	44.4 Å²	44.4	90%	0.9	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-35.5	-171.6	-177.1	179.8	176.4	-177	0	113.2	T113	T113-K115 PolarHBondContact OG1-N 2.86Å
116	N	94.8	Very high	96.5	Very high	62 Å²	62	45.2 Å²	45.2	33%	0.332	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	12.9	177.5	64.8	-3.7	0	0	0	113.2	P111 T113 Q114 L118	P111-N116 PolarHBondContact O-ND2 3.34Å; P111-N116 PolarHBondContact O-OD1 2.79Å; T113-N116 PolarHBondContact N-OD1 3.33Å; T113-N116 VanDerWaalsContact N-OD1 3.15Å; T113-N116 PolarHBondContact O-OD1 2.95Å; T113-N116 VanDerWaalsContact OG1-CG 3.29Å; T113-N116 PolarHBondContact OG1-N 3.18Å; T113-N116 PolarHBondContact OG1-OD1 3.27Å; Q114-N116 VanDerWaalsContact C-N 3.3Å; Q114-N116 PolarHBondContact O-N 3.32Å; N116-L118 WeakPolarHBondContact ND2-CD1 3.43Å; N116-L118 PolarHBondContact O-N 2.83Å; N116-L118 WeakPolarHBondContact OD1-CB 3.36Å; N116-L118 PolarHBondContact OD1-N 3.13Å
117	N	94.4	Very high	96.3	Very high	79 Å²	79	51.1 Å²	51.1	42%	0.422	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	30.9	179.8	-163	25.5	0	0	0	113.1	T113 Q114 R121	T113-N117 PolarHBondContact O-N 3.21Å; Q114-N117 PolarHBondContact O-N 3.19Å; N117-R121 PolarHBondContact ND2-NH1 3.47Å; N117-R121 WeakPolarHBondContact O-CD 3.26Å; N117-R121 PolarHBondContact O-NE 2.72Å; N117-R121 PolarHBondContact O-NH1 3.04Å
118	L	96.4	Very high	96.2	Very high	22 Å²	22	56.5 Å²	56.5	12%	0.115	28%	0.28	C	S	.	.			trans	-100.3	-1.9	176.6	-65	-173.4	0	0	0	113.1	Q110 T113 N116 R121 I124	Q110-L118 HydrophobicContact CB-CD1 4.08Å; T113-L118 PolarHBondContact O-N 2.81Å; N116-L118 WeakPolarHBondContact ND2-CD1 3.43Å; N116-L118 PolarHBondContact O-N 2.83Å; N116-L118 WeakPolarHBondContact OD1-CB 3.36Å; N116-L118 PolarHBondContact OD1-N 3.13Å; L118-R121 WeakPolarHBondContact O-CB 3.44Å; L118-R121 PolarHBondContact O-N 2.98Å; L118-I124 HydrophobicContact CD1-CD1 4.18Å; L118-I124 HydrophobicContact CD2-CD1 3.63Å
119	R	96.7	Very high	95.8	Very high	1 Å²	1	58 Å²	58	0%	0.004	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	136.4	172	-172.8	-172.7	-72.3	176.4	-2.3	111.2	P112 T113 Q114 R121 E182 F252 L386 R387 R389 I394	P112-R119 WeakPolarHBondContact O-CA 3.39Å; P112-R119 PolarHBondContact O-N 2.85Å; T113-R119 PolarHBondContact O-N 3.21Å; T113-R119 VanDerWaalsContact O-N 3.17Å; Q114-R119 VanDerWaalsContact OE1-NH2 3.08Å; R119-R121 VanDerWaalsContact C-N 3.3Å; R119-R121 PolarHBondContact O-N 3.36Å; R119-E182 WeakPolarHBondContact CG-OE2 3.31Å; R119-E182 IonicContact CZ-OE1 3.72Å; R119-E182 IonicContact CZ-OE2 2.76Å; R119-E182 IonicContact NE-OE1 3.65Å; R119-E182 PolarHBondContact NE-OE1 2.73Å; R119-E182 IonicContact NE-OE2 3.41Å; R119-E182 PolarHBondContact NE-OE2 3.12Å; R119-E182 IonicContact NH2-OE1 3.43Å; R119-E182 PolarHBondContact NH2-OE1 3.29Å; R119-E182 IonicContact NH2-OE2 3.99Å; R119-F252 HydrophobicContact CG-CD1 4.15Å; R119-F252 HydrophobicContact CG-CE1 4.33Å; R119-L386 PolarHBondContact NH1-O 3.08Å; R119-R387 PolarHBondContact NH1-O 3.11Å; R119-R387 VanDerWaalsContact NH1-O 3.12Å; R119-R389 PolarHBondContact NH1-O 3.15Å; R119-R389 PolarHBondContact NH2-O 3.3Å; R119-R389 VanDerWaalsContact NH2-O 3.16Å; R119-I394 VanDerWaalsContact NH1-CD1 3.27Å
120	F	95.8	Very high	95.5	Very high	3 Å²	3	64.5 Å²	64.5	1%	0.013	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	39.4	-177.2	-45.8	-47.8	0	0	0	113.2	P251 F252 L255 I279 Y283 L386 R387 I394	F120-P251 WeakPolarHBondContact CE1-O 3.45Å; F120-F252 HydrophobicContact CE1-CD1 4.28Å; F120-L255 HydrophobicContact CD1-CB 4.36Å; F120-L255 HydrophobicContact CE1-CB 4.32Å; F120-L255 HydrophobicContact CE1-CD1 4.43Å; F120-L255 HydrophobicContact CZ-CD1 4.37Å; F120-I279 HydrophobicContact CB-CD1 3.98Å; F120-I279 HydrophobicContact CB-CG2 4.27Å; F120-I279 HydrophobicContact CD2-CD1 4.16Å; F120-I279 HydrophobicContact CG-CD1 4.27Å; F120-Y283 VanDerWaalsContact C-CE2 3.43Å; F120-Y283 VanDerWaalsContact C-CZ 3.49Å; F120-Y283 HydrophobicContact CB-CE2 4.04Å; F120-Y283 WeakPolarHBondContact O-CE2 3.43Å; F120-Y283 PolarHBondContact O-OH 3.01Å; F120-Y283 VanDerWaalsContact O-OH 3.06Å; F120-L386 HydrophobicContact CE2-CB 4.01Å; F120-R387 HydrophobicContact CD2-CG 3.89Å; F120-R387 HydrophobicContact CE2-CG 4.12Å; F120-I394 HydrophobicContact CZ-CD1 4.43Å
121	R	95.8	Very high	95.1	Very high	87 Å²	87	69.1 Å²	69.1	33%	0.328	35%	0.346	S	S	.	.	S	Bend	trans	-131.6	164	174.3	-62.8	-176.4	173.9	165.9	-6	111	N117 L118 R119 R248 Y283	N117-R121 PolarHBondContact ND2-NH1 3.47Å; N117-R121 WeakPolarHBondContact O-CD 3.26Å; N117-R121 PolarHBondContact O-NE 2.72Å; N117-R121 PolarHBondContact O-NH1 3.04Å; L118-R121 WeakPolarHBondContact O-CB 3.44Å; L118-R121 PolarHBondContact O-N 2.98Å; R119-R121 VanDerWaalsContact C-N 3.3Å; R119-R121 PolarHBondContact O-N 3.36Å; R121-R248 VanDerWaalsContact O-CZ 3.27Å; R121-R248 PolarHBondContact O-NH1 2.86Å; R121-R248 PolarHBondContact O-NH2 3.48Å; R121-Y283 WeakPolarHBondContact O-CD1 3.44Å
122	R	96.9	Very high	94.7	Very high	101 Å²	101	75 Å²	75	38%	0.381	37%	0.367	S	S	.	.			trans	-59.8	147.4	172.6	-69.5	-174.4	-175.9	-174.4	1.8	110.5	Y283 W286 D420	R122-Y283 HydrophobicContact CG-CD1 4.31Å; R122-Y283 HydrophobicContact CG-CE1 4.36Å; R122-W286 HydrophobicContact CG-CD2 4.44Å; R122-W286 HydrophobicContact CG-CG 4.16Å; R122-D420 IonicContact CZ-OD2 3.58Å; R122-D420 IonicContact NH1-OD2 3.61Å; R122-D420 PolarHBondContact NH1-OD2 2.76Å; R122-D420 IonicContact NH2-OD2 2.75Å; R122-D420 PolarHBondContact NH2-OD2 2.68Å
123	P	98.2	Very high	94.4	Very high	18 Å²	18	77.2 Å²	77.2	12%	0.117	38%	0.375	C	S	.	.			trans	-60.7	143.6	172.3	29.4	-35.5	0	0	0	109.9	A109 L185 W286 D287 R290	A109-P123 HydrophobicContact CB-CB 3.88Å; P123-L185 HydrophobicContact CB-CD1 4.12Å; P123-W286 HydrophobicContact CG-CB 4.13Å; P123-W286 WeakPolarHBondContact CG-O 3.48Å; P123-D287 WeakPolarHBondContact CB-OD1 3.29Å; P123-D287 WeakPolarHBondContact CG-OD1 3.34Å; P123-R290 HydrophobicContact CB-CB 4.21Å; P123-R290 HydrophobicContact CB-CG 4.34Å; P123-R290 HydrophobicContact CG-CB 3.81Å; P123-R290 HydrophobicContact CG-CG 4.41Å
124	I	97.8	Very high	94	Very high	72 Å²	72	79.5 Å²	79.5	37%	0.369	39%	0.387	S	S	.	.			trans	-110.7	138	175	-58.2	178	0	0	0	107	A109 Q110 L118	A109-I124 CarbonylContact C-O 3.53Å; A109-I124 VanDerWaalsContact CA-O 3.23Å; A109-I124 WeakPolarHBondContact CA-O 3.18Å; A109-I124 WeakPolarHBondContact CB-O 3.35Å; Q110-I124 PolarHBondContact N-O 2.8Å; L118-I124 HydrophobicContact CD1-CD1 4.18Å; L118-I124 HydrophobicContact CD2-CD1 3.63Å
125	P	97.5	Very high	93.9	Very high	56 Å²	56	75.7 Å²	75.7	36%	0.364	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-51.5	150.6	173.5	-27.3	35	0	0	0	112.6	Y76 Q110	Y76-P125 HydrophobicContact CE1-CB 4.31Å; Q110-P125 WeakPolarHBondContact CG-O 3.3Å; Q110-P125 PolarHBondContact NE2-O 3.1Å; Q110-P125 VanDerWaalsContact NE2-O 3.07Å
126	P	95.3	Very high	93.5	Very high	17 Å²	17	66.2 Å²	66.2	11%	0.11	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-57.7	160.2	175.8	-18.3	31.4	0	0	0	111.2	Y76 P107 Y108 L128	Y76-P126 HydrophobicContact CD1-CB 3.71Å; Y76-P126 HydrophobicContact CD1-CG 4.14Å; Y76-P126 WeakPolarHBondContact CD1-O 2.89Å; Y76-P126 HydrophobicContact CD2-CB 4.42Å; Y76-P126 HydrophobicContact CD2-CG 4.09Å; Y76-P126 HydrophobicContact CE1-CB 4.38Å; Y76-P126 WeakPolarHBondContact CE1-O 2.98Å; Y76-P126 HydrophobicContact CE2-CG 4.45Å; Y76-P126 HydrophobicContact CG-CB 3.73Å; Y76-P126 HydrophobicContact CG-CG 3.91Å; P107-P126 WeakPolarHBondContact O-CG 3.45Å; Y108-P126 WeakPolarHBondContact O-CD 3.29Å; P126-L128 PolarHBondContact O-N 2.62Å
127	I	93.5	Very high	92.9	Very high	124 Å²	124	68.5 Å²	68.5	64%	0.636	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-69.3	132.5	176.9	-59.5	170.3	0	0	0	108.2	Q110 S129	Q110-I127 HydrophobicContact CG-CG1 4.49Å; I127-S129 PolarHBondContact O-N 3.44Å
128	L	93.7	Very high	92.5	Very high	133 Å²	133	65.7 Å²	65.7	70%	0.696	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-55.2	130.5	174.2	-66.6	175.1	0	0	0	109.9	D75 Y76 P126	D75-L128 HydrophobicContact CB-CD2 3.88Å; D75-L128 WeakPolarHBondContact O-CA 3.17Å; D75-L128 WeakPolarHBondContact O-CD2 3.38Å; Y76-L128 HydrophobicContact CD1-CD2 4.15Å; Y76-L128 HydrophobicContact CE1-CD2 3.96Å; P126-L128 PolarHBondContact O-N 2.62Å
129	S	91.4	Very high	92.2	Very high	31 Å²	31	66.2 Å²	66.2	22%	0.217	32%	0.318	C	S	.	.			trans	-159.2	145	-173.3	-176.2	0	0	0	0	110.7	D75 Y76 G77 I127 Q131	D75-S129 PolarHBondContact O-N 2.73Å; D75-S129 VanDerWaalsContact O-N 3.14Å; Y76-S129 CarbonylContact C-O 3.43Å; Y76-S129 VanDerWaalsContact C-O 3.25Å; G77-S129 VanDerWaalsContact CA-O 3.23Å; G77-S129 WeakPolarHBondContact CA-O 3.45Å; G77-S129 PolarHBondContact N-O 2.78Å; I127-S129 PolarHBondContact O-N 3.44Å; S129-Q131 VanDerWaalsContact OG-CB 3.31Å; S129-Q131 WeakPolarHBondContact OG-CB 3.47Å; S129-Q131 WeakPolarHBondContact OG-CG 3.43Å; S129-Q131 PolarHBondContact OG-N 2.69Å; S129-Q131 VanDerWaalsContact OG-N 3.09Å
130	N	90.4	Very high	91.9	Very high	143 Å²	143	67.6 Å²	67.6	77%	0.765	33%	0.328	S	S	*	.			trans	-106	12.1	169.4	-67.4	-29.1	0	0	0	111.5
131	Q	90.4	Very high	91.7	Very high	148 Å²	148	67.5 Å²	67.5	69%	0.692	33%	0.328	S	S	*	.	S	Bend	trans	-71.1	154.2	-178.5	-66	179.9	-2.5	0	0	111.3	G77 I78 S129	G77-Q131 WeakPolarHBondContact CA-O 3.33Å; I78-Q131 PolarHBondContact N-O 3.1Å; S129-Q131 VanDerWaalsContact OG-CB 3.31Å; S129-Q131 WeakPolarHBondContact OG-CB 3.47Å; S129-Q131 WeakPolarHBondContact OG-CG 3.43Å; S129-Q131 PolarHBondContact OG-N 2.69Å; S129-Q131 VanDerWaalsContact OG-N 3.09Å
132	K	87.9	Confident	91.7	Very high	163 Å²	163	63.5 Å²	63.5	71%	0.709	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	132.3	171.7	-58.4	-170.9	178	-179	0	109.2	Y80	Y80-K132 HydrophobicContact CD2-CB 4.08Å; Y80-K132 HydrophobicContact CE2-CB 3.58Å; Y80-K132 HydrophobicContact CE2-CD 3.89Å; Y80-K132 HydrophobicContact CE2-CG 3.58Å
133	Y	90.3	Very high	91.6	Very high	52 Å²	52	59 Å²	59	20%	0.204	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	126.7	177.1	-171.9	-88.5	0	0	0	110.1	I78 M79 Y80 G105 P107 A135 R139	I78-Y133 PolarHBondContact O-N 3.37Å; M79-Y133 VanDerWaalsContact SD-CB 3.59Å; M79-Y133 HydrophobicContact SD-CD1 3.58Å; M79-Y133 VanDerWaalsContact SD-CD1 3.58Å; M79-Y133 HydrophobicContact SD-CG 3.72Å; Y80-Y133 PolarHBondContact N-O 3.03Å; G105-Y133 VanDerWaalsContact O-CE1 3.31Å; G105-Y133 WeakPolarHBondContact O-CE1 3.37Å; G105-Y133 PolarHBondContact O-OH 3.16Å; P107-Y133 HydrophobicContact CG-CE2 4.04Å; Y133-A135 HydrophobicContact CD1-CB 4.14Å; Y133-A135 HydrophobicContact CE1-CB 4.36Å; Y133-A135 PolarHBondContact O-N 3.42Å; Y133-R139 VanDerWaalsContact CZ-NH2 3.31Å; Y133-R139 PolarHBondContact OH-NE 3.13Å; Y133-R139 VanDerWaalsContact OH-NE 3.15Å; Y133-R139 PolarHBondContact OH-NH2 2.96Å
134	D	88.8	Confident	91.4	Very high	70 Å²	70	58.5 Å²	58.5	37%	0.374	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	105.1	176	-179	1.1	0	0	0	110.3	T136 R139	D134-T136 VanDerWaalsContact OD1-CB 3.29Å; D134-T136 WeakPolarHBondContact OD1-CB 3.14Å; D134-T136 VanDerWaalsContact OD1-CG2 3.27Å; D134-T136 WeakPolarHBondContact OD1-CG2 3.47Å; D134-T136 PolarHBondContact OD1-N 3.25Å; D134-T136 PolarHBondContact OD1-OG1 3.38Å; D134-R139 PolarHBondContact O-NH1 3.05Å; D134-R139 PolarHBondContact O-NH2 3.4Å
135	A	91.9	Very high	91	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.276	C	S	.	.			trans	-107.7	37.2	176.7	0	0	0	0	0	111.5	M79 Y80 W103 K104 I106 Y133	M79-A135 HydrophobicContact CB-CB 4.39Å; Y80-A135 CarbonylContact O-C 3.59Å; Y80-A135 VanDerWaalsContact O-CA 3.29Å; Y80-A135 WeakPolarHBondContact O-CA 3.46Å; Y80-A135 WeakPolarHBondContact O-CB 3.38Å; Y80-A135 PolarHBondContact O-N 2.95Å; W103-A135 CarbonylContact C-O 3.53Å; W103-A135 WeakPolarHBondContact CA-O 3.26Å; W103-A135 HydrophobicContact CB-CB 4.03Å; K104-A135 PolarHBondContact N-O 2.71Å; K104-A135 CarbonylContact O-C 3.52Å; K104-A135 VanDerWaalsContact O-C 3.23Å; K104-A135 WeakPolarHBondContact O-CA 3.41Å; K104-A135 WeakPolarHBondContact O-CB 3.29Å; I106-A135 HydrophobicContact CG1-CB 4Å; Y133-A135 HydrophobicContact CD1-CB 4.14Å; Y133-A135 HydrophobicContact CE1-CB 4.36Å; Y133-A135 PolarHBondContact O-N 3.42Å
136	T	84.9	Confident	90.1	Very high	9 Å²	9	54.3 Å²	54.3	6%	0.055	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-91.8	-11.4	-179.2	61.9	0	0	0	0	114.4	I54 Y82 D134	I54-T136 HydrophobicContact CG2-CG2 3.95Å; Y82-T136 HydrophobicContact CD1-CG2 4.49Å; Y82-T136 WeakPolarHBondContact CE1-O 3.3Å; D134-T136 VanDerWaalsContact OD1-CB 3.29Å; D134-T136 WeakPolarHBondContact OD1-CB 3.14Å; D134-T136 VanDerWaalsContact OD1-CG2 3.27Å; D134-T136 WeakPolarHBondContact OD1-CG2 3.47Å; D134-T136 PolarHBondContact OD1-N 3.25Å; D134-T136 PolarHBondContact OD1-OG1 3.38Å
137	Y	83.9	Confident	88.6	Confident	109 Å²	109	55.1 Å²	55.1	43%	0.427	28%	0.275	S	S	.	.	S	Bend	trans	-137.9	151.3	-175.7	64.6	-83.9	0	0	0	112.7	K104 R139	K104-Y137 CarbonylContact C-O 3.5Å; K104-Y137 WeakPolarHBondContact CB-O 3.16Å; Y137-R139 VanDerWaalsContact CD2-NH1 3.28Å; Y137-R139 PolarHBondContact O-NH1 2.87Å; Y137-R139 VanDerWaalsContact O-NH1 3.1Å; Y137-R139 PolarHBondContact OH-NH1 3.2Å; Y137-R139 PolarHBondContact OH-NH2 3.29Å
138	F	85.8	Confident	86.7	Confident	21 Å²	21	52 Å²	52	9%	0.092	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-62.6	143.2	177.2	-67	-66.7	0	0	0	111.4	K104 N188 Y190 N228	K104-F138 HydrophobicContact CB-CD1 4.02Å; K104-F138 HydrophobicContact CB-CE1 4.33Å; K104-F138 HydrophobicContact CB-CG 4.41Å; K104-F138 HydrophobicContact CD-CD1 4.03Å; K104-F138 HydrophobicContact CD-CD2 3.88Å; K104-F138 HydrophobicContact CD-CE1 3.9Å; K104-F138 HydrophobicContact CD-CE2 3.75Å; K104-F138 HydrophobicContact CD-CG 4.03Å; K104-F138 HydrophobicContact CD-CZ 3.76Å; K104-F138 HydrophobicContact CG-CD1 3.97Å; K104-F138 HydrophobicContact CG-CE1 3.8Å; K104-F138 HydrophobicContact CG-CG 4.42Å; K104-F138 HydrophobicContact CG-CZ 4.12Å; F138-N188 WeakPolarHBondContact CD1-OD1 3.44Å; F138-N188 HydrophobicContact CE1-CB 4.31Å; F138-N188 WeakPolarHBondContact CE1-ND2 3.45Å; F138-Y190 WeakPolarHBondContact CE1-OH 3.49Å; F138-Y190 VanDerWaalsContact CZ-OH 3.31Å; F138-Y190 WeakPolarHBondContact CZ-OH 3.09Å; F138-N228 HydrophobicContact CD1-CB 4.33Å; F138-N228 HydrophobicContact CG-CB 4.34Å
139	R	90	Very high	84.7	Confident	32 Å²	32	48.6 Å²	48.6	12%	0.121	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-95.9	169.8	172	-63.6	-67.1	-168.7	-85.6	3.1	110.7	Y133 D134 Y137 Y186 N228	Y133-R139 VanDerWaalsContact CZ-NH2 3.31Å; Y133-R139 PolarHBondContact OH-NE 3.13Å; Y133-R139 VanDerWaalsContact OH-NE 3.15Å; Y133-R139 PolarHBondContact OH-NH2 2.96Å; D134-R139 PolarHBondContact O-NH1 3.05Å; D134-R139 PolarHBondContact O-NH2 3.4Å; Y137-R139 VanDerWaalsContact CD2-NH1 3.28Å; Y137-R139 PolarHBondContact O-NH1 2.87Å; Y137-R139 VanDerWaalsContact O-NH1 3.1Å; Y137-R139 PolarHBondContact OH-NH1 3.2Å; Y137-R139 PolarHBondContact OH-NH2 3.29Å; R139-Y186 HydrophobicContact CB-CD1 4.02Å; R139-Y186 HydrophobicContact CB-CD2 3.37Å; R139-Y186 HydrophobicContact CB-CE1 4.24Å; R139-Y186 HydrophobicContact CB-CE2 3.66Å; R139-Y186 HydrophobicContact CB-CG 3.58Å; R139-Y186 HydrophobicContact CG-CD1 3.75Å; R139-Y186 HydrophobicContact CG-CD2 4.03Å; R139-Y186 HydrophobicContact CG-CE1 3.82Å; R139-Y186 HydrophobicContact CG-CE2 4.13Å; R139-Y186 HydrophobicContact CG-CG 3.86Å; R139-N228 PolarHBondContact O-ND2 3.12Å
140	S	90.6	Very high	82.9	Confident	30 Å²	30	52.9 Å²	52.9	21%	0.21	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-48.7	138.9	-179.2	-54.2	0	0	0	0	112.9	I179 D183	S140-I179 VanDerWaalsContact CB-O 3.3Å; S140-I179 WeakPolarHBondContact CB-O 3.32Å; S140-D183 WeakPolarHBondContact CB-O 3.31Å
141	A	91.3	Very high	81.3	Confident	2 Å²	2	56.8 Å²	56.8	2%	0.017	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-72.4	158.2	165	0	0	0	0	0	110.4	Y180 N181	A141-Y180 HydrophobicContact CB-CD1 3.96Å; A141-Y180 HydrophobicContact CB-CE1 4.21Å; A141-Y180 WeakPolarHBondContact O-CA 3.01Å; A141-N181 PolarHBondContact O-N 3.11Å
142	C	95.3	Very high	80.3	Confident	3 Å²	3	51.1 Å²	51.1	2%	0.02	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-68	149.4	-179.1	-66.6	0	0	0	0	113.2	Q144 N181 C184 Y247	C142-Q144 WeakPolarHBondContact O-CG 3.21Å; C142-Q144 PolarHBondContact O-N 3.02Å; C142-Q144 PolarHBondContact O-NE2 3.4Å; C142-N181 CarbonylContact C-O 3.45Å; C142-N181 WeakPolarHBondContact CA-O 3.42Å; C142-C184 VanDerWaalsContact CA-CB 3.42Å; C142-C184 WeakPolarHBondContact CA-SG 3.36Å; C142-C184 HydrophobicContact CB-CB 3.78Å; C142-C184 WeakPolarHBondContact CB-SG 3.45Å; C142-C184 WeakPolarHBondContact SG-CB 3.43Å; C142-C184 CovalentContact SG-SG 2.03Å; C142-C184 PolarHBondContact SG-SG 2.9Å; C142-Y247 PolarHBondContact SG-O 3.42Å
143	S	94.7	Very high	79.8	Confident	5 Å²	5	46 Å²	46	4%	0.035	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-51.2	118.1	176.8	-70	0	0	0	0	111.4	N181 E182 S391	S143-N181 PolarHBondContact N-O 3.16Å; S143-N181 PolarHBondContact OG-O 2.74Å; S143-E182 PolarHBondContact OG-N 3.44Å; S143-E182 VanDerWaalsContact OG-N 3.1Å; S143-S391 WeakPolarHBondContact OG-CB 3.44Å
144	Q	93.5	Very high	79.2	Confident	8 Å²	8	45 Å²	45	4%	0.037	24%	0.242	C	C	.	.			trans	-150.3	162.9	-175.3	66.6	-167.5	-84.4	0	0	109.9	C142 Y180 L223 I224 G225 L249 S395	C142-Q144 WeakPolarHBondContact O-CG 3.21Å; C142-Q144 PolarHBondContact O-N 3.02Å; C142-Q144 PolarHBondContact O-NE2 3.4Å; Q144-Y180 HydrophobicContact CG-CD1 3.48Å; Q144-Y180 VanDerWaalsContact CG-CD1 3.48Å; Q144-Y180 HydrophobicContact CG-CD2 3.76Å; Q144-Y180 HydrophobicContact CG-CE1 3.46Å; Q144-Y180 VanDerWaalsContact CG-CE1 3.46Å; Q144-Y180 HydrophobicContact CG-CE2 3.71Å; Q144-Y180 HydrophobicContact CG-CG 3.65Å; Q144-L223 VanDerWaalsContact CB-O 3.32Å; Q144-L223 WeakPolarHBondContact CB-O 3.38Å; Q144-I224 HydrophobicContact CB-CG2 4.35Å; Q144-I224 VanDerWaalsContact OE1-CA 3.23Å; Q144-I224 VanDerWaalsContact OE1-CB 3.31Å; Q144-G225 PolarHBondContact NE2-O 3.29Å; Q144-L249 HydrophobicContact CB-CD1 4.49Å; Q144-S395 VanDerWaalsContact C-CB 3.47Å; Q144-S395 PolarHBondContact N-OG 2.8Å
145	P	89.6	Confident	78.7	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.006	25%	0.248	C	C	.	.			trans	-55.2	141.9	178.9	-21.7	29	0	0	0	112	Y162 L223 I224 S395 A399	P145-Y162 HydrophobicContact CB-CE2 4Å; P145-L223 HydrophobicContact CG-CD1 3.69Å; P145-L223 HydrophobicContact CG-CD2 3.96Å; P145-L223 HydrophobicContact CG-CG 3.71Å; P145-I224 HydrophobicContact CG-CG2 4.36Å; P145-S395 WeakPolarHBondContact CG-O 3.05Å; P145-A399 HydrophobicContact CB-CB 3.71Å; P145-A399 HydrophobicContact CG-CB 3.54Å
146	S	78.1	Confident	78.2	Confident	39 Å²	39	50 Å²	50	27%	0.273	26%	0.263	S	S	.	.			trans	-138.3	90.1	175.5	-167.8	0	0	0	0	108.8	S148 N396	S146-S148 PolarHBondContact O-N 2.98Å; S146-S148 WeakPolarHBondContact OG-CB 3.44Å; S146-S148 PolarHBondContact OG-OG 3.32Å; S146-N396 PolarHBondContact N-OD1 3.04Å; S146-N396 VanDerWaalsContact N-OD1 3.12Å
147	L	64.2	Low	78.2	Confident	35 Å²	35	50.9 Å²	50.9	18%	0.183	27%	0.265	C	S	.	.			trans	-84.2	38.8	160.2	-71.9	114.8	0	0	0	110.2	S149 T152 Y162 E163	L147-S149 PolarHBondContact O-N 3.17Å; L147-T152 HydrophobicContact CB-CG2 4.29Å; L147-T152 HydrophobicContact CD2-CG2 3.94Å; L147-Y162 HydrophobicContact CD1-CE2 4.24Å; L147-Y162 WeakPolarHBondContact CD1-OH 3.5Å; L147-E163 WeakPolarHBondContact CB-OE1 3.44Å
148	S	53.7	Low	78.2	Confident	57 Å²	57	45.7 Å²	45.7	40%	0.399	25%	0.245	S	C	.	.			trans	-84.7	18.8	-176.7	70.2	0	0	0	0	114.2	S146 S150	S146-S148 PolarHBondContact O-N 2.98Å; S146-S148 WeakPolarHBondContact OG-CB 3.44Å; S146-S148 PolarHBondContact OG-OG 3.32Å; S148-S150 PolarHBondContact O-N 3.45Å
149	S	52.3	Low	78.2	Confident	63 Å²	63	46.9 Å²	46.9	44%	0.441	25%	0.25	S	S	.	.			trans	-73.6	124.5	160.4	82.7	0	0	0	0	107.1	L147 R151 T152	L147-S149 PolarHBondContact O-N 3.17Å; S149-R151 PolarHBondContact O-N 3.42Å; S149-T152 PolarHBondContact O-N 3.49Å; S149-T152 PolarHBondContact O-OG1 3.25Å
150	S	52.8	Low	78.1	Confident	120 Å²	120	47.4 Å²	47.4	84%	0.839	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	10.8	170.9	56.6	0	0	0	0	114.4	S148	S148-S150 PolarHBondContact O-N 3.45Å
151	R	58.3	Low	78.2	Confident	226 Å²	226	46.1 Å²	46.1	85%	0.853	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.5	-5.4	-178.9	-60.3	-174.7	-176.8	-171.5	1.2	113.1	S149 S153	S149-R151 PolarHBondContact O-N 3.42Å; R151-S153 PolarHBondContact O-N 3.34Å
152	T	68.8	Low	78.1	Confident	28 Å²	28	46.1 Å²	46.1	17%	0.172	24%	0.243	C	C	.	.	S	Bend	trans	-76.6	121.1	175.5	48.6	0	0	0	0	109.5	L147 S149	L147-T152 HydrophobicContact CB-CG2 4.29Å; L147-T152 HydrophobicContact CD2-CG2 3.94Å; S149-T152 PolarHBondContact O-N 3.49Å; S149-T152 PolarHBondContact O-OG1 3.25Å
153	S	76	Confident	77.7	Confident	57 Å²	57	46.1 Å²	46.1	40%	0.399	24%	0.243	S	C	.	.			trans	-65.6	152.2	179.1	66.2	0	0	0	0	110.8	R151 H155 E156 W157	R151-S153 PolarHBondContact O-N 3.34Å; S153-H155 PolarHBondContact O-N 3.39Å; S153-E156 PolarHBondContact O-N 3.21Å; S153-W157 PolarHBondContact O-N 2.82Å
154	F	78.9	Confident	77.5	Confident	29 Å²	29	46.1 Å²	46.1	13%	0.127	24%	0.242	C	C	.	.	H	α-helix	trans	-46.5	-46.7	173.6	175.6	-100.3	0	0	0	112.9	E156 W157 S158 W164 Y458 L477	F154-E156 PolarHBondContact O-N 3.01Å; F154-W157 AromaticContact CD2-CE2 3.87Å; F154-W157 AromaticContact CD2-CH2 3.83Å; F154-W157 HydrophobicContact CD2-CH2 3.83Å; F154-W157 AromaticContact CD2-CZ2 3.35Å; F154-W157 HydrophobicContact CD2-CZ2 3.35Å; F154-W157 AromaticContact CE2-CH2 3.77Å; F154-W157 HydrophobicContact CE2-CH2 3.77Å; F154-W157 AromaticContact CE2-CZ2 3.81Å; F154-W157 HydrophobicContact CE2-CZ2 3.81Å; F154-W157 HydrophobicContact CG-CZ2 4.44Å; F154-S158 WeakPolarHBondContact O-CB 3.45Å; F154-S158 PolarHBondContact O-N 2.69Å; F154-S158 PolarHBondContact O-OG 3.04Å; F154-W164 AromaticContact CE2-CH2 3.97Å; F154-W164 HydrophobicContact CE2-CH2 3.97Å; F154-W164 HydrophobicContact CE2-CZ2 4.22Å; F154-W164 HydrophobicContact CZ-CH2 4.15Å; F154-W164 HydrophobicContact CZ-CZ2 4.27Å; F154-Y458 HydrophobicContact CE1-CD1 4.24Å; F154-Y458 AromaticContact CE1-CE1 3.52Å; F154-Y458 HydrophobicContact CE1-CE1 3.52Å; F154-Y458 AromaticContact CE1-CZ 3.73Å; F154-Y458 AromaticContact CZ-CE1 3.88Å; F154-Y458 HydrophobicContact CZ-CE1 3.88Å; F154-Y458 HydrophobicContact CZ-CE2 4.15Å; F154-Y458 AromaticContact CZ-CZ 3.57Å; F154-Y458 WeakPolarHBondContact CZ-OH 3.35Å; F154-L477 HydrophobicContact CB-CB 4.05Å; F154-L477 HydrophobicContact CB-CD1 4.44Å; F154-L477 HydrophobicContact CD1-CD1 3.72Å; F154-L477 HydrophobicContact CD1-CD2 4.41Å; F154-L477 HydrophobicContact CD2-CD1 4.45Å; F154-L477 HydrophobicContact CD2-CD2 3.69Å; F154-L477 HydrophobicContact CD2-CG 4.46Å; F154-L477 HydrophobicContact CE1-CD1 4.04Å; F154-L477 HydrophobicContact CE2-CD2 3.85Å; F154-L477 HydrophobicContact CG-CB 4.24Å; F154-L477 HydrophobicContact CG-CD1 3.94Å; F154-L477 HydrophobicContact CG-CD2 3.99Å; F154-L477 HydrophobicContact CG-CG 4.28Å; F154-L477 HydrophobicContact CZ-CD2 4.26Å
155	H	78.1	Confident	77.3	Confident	107 Å²	107	46.2 Å²	46.2	50%	0.495	24%	0.242	S	C	.	.	H	α-helix	trans	-59	-31.7	-179.7	179.2	-100.7	0	0	0	113.4	S153 S158 K159	S153-H155 PolarHBondContact O-N 3.39Å; H155-S158 PolarHBondContact O-OG 3.19Å; H155-K159 VanDerWaalsContact O-CE 3.26Å; H155-K159 WeakPolarHBondContact O-CE 3.3Å
156	E	81.5	Confident	77.1	Confident	68 Å²	68	48.2 Å²	48.2	32%	0.318	25%	0.252	S	S	.	.	H	α-helix	trans	-85.4	-47.8	-177.6	-171.8	59.9	-170.1	0	0	112.5	S153 F154 S158 K159 Y160	S153-E156 PolarHBondContact O-N 3.21Å; F154-E156 PolarHBondContact O-N 3.01Å; E156-S158 PolarHBondContact O-N 2.91Å; E156-K159 IonicContact OE2-NZ 3.26Å; E156-K159 PolarHBondContact OE2-NZ 3.31Å; E156-Y160 WeakPolarHBondContact O-CD2 3.43Å; E156-Y160 WeakPolarHBondContact O-CE2 3.13Å
157	W	83.9	Confident	77.3	Confident	29 Å²	29	50.6 Å²	50.6	11%	0.11	26%	0.255	C	S	.	.	H	α-helix	trans	-73.2	-29.4	-178.5	69.4	-109.2	0	0	0	112.3	S153 F154 K159 Y160 E163 W164	S153-W157 PolarHBondContact O-N 2.82Å; F154-W157 AromaticContact CD2-CE2 3.87Å; F154-W157 AromaticContact CD2-CH2 3.83Å; F154-W157 HydrophobicContact CD2-CH2 3.83Å; F154-W157 AromaticContact CD2-CZ2 3.35Å; F154-W157 HydrophobicContact CD2-CZ2 3.35Å; F154-W157 AromaticContact CE2-CH2 3.77Å; F154-W157 HydrophobicContact CE2-CH2 3.77Å; F154-W157 AromaticContact CE2-CZ2 3.81Å; F154-W157 HydrophobicContact CE2-CZ2 3.81Å; F154-W157 HydrophobicContact CG-CZ2 4.44Å; W157-K159 PolarHBondContact O-N 2.78Å; W157-K159 VanDerWaalsContact O-N 3.08Å; W157-Y160 PolarHBondContact O-N 2.97Å; W157-E163 HydrophobicContact CB-CB 4.25Å; W157-E163 HydrophobicContact CB-CG 4.02Å; W157-E163 HydrophobicContact CE3-CB 3.93Å; W157-E163 WeakPolarHBondContact O-CB 3.48Å; W157-W164 HydrophobicContact CH2-CE3 4.46Å; W157-W164 HydrophobicContact CH2-CH2 4.21Å; W157-W164 HydrophobicContact CH2-CZ2 4.31Å; W157-W164 HydrophobicContact CH2-CZ3 4.3Å; W157-W164 AromaticContact CZ3-CD2 3.86Å; W157-W164 HydrophobicContact CZ3-CD2 3.86Å; W157-W164 AromaticContact CZ3-CE2 3.79Å; W157-W164 HydrophobicContact CZ3-CE3 4.19Å; W157-W164 HydrophobicContact CZ3-CG 4.28Å; W157-W164 HydrophobicContact CZ3-CH2 4.32Å; W157-W164 HydrophobicContact CZ3-CZ2 4.03Å; W157-W164 HydrophobicContact CZ3-CZ3 4.4Å
158	S	84.3	Confident	78.2	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-15.7	-178.6	57.9	0	0	0	0	114.3	F154 H155 E156 Y160 W164 A455 Y458	F154-S158 WeakPolarHBondContact O-CB 3.45Å; F154-S158 PolarHBondContact O-N 2.69Å; F154-S158 PolarHBondContact O-OG 3.04Å; H155-S158 PolarHBondContact O-OG 3.19Å; E156-S158 PolarHBondContact O-N 2.91Å; S158-Y160 PolarHBondContact O-N 3.04Å; S158-W164 PolarHBondContact O-NE1 2.91Å; S158-A455 WeakPolarHBondContact O-CA 3.43Å; S158-Y458 WeakPolarHBondContact OG-CB 3.38Å
159	K	86.6	Confident	79.5	Confident	46 Å²	46	48.4 Å²	48.4	20%	0.2	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-12.4	174	-66.8	169.5	-175.2	169.9	0	113.8	H155 E156 W157 Y458 Q459	H155-K159 VanDerWaalsContact O-CE 3.26Å; H155-K159 WeakPolarHBondContact O-CE 3.3Å; E156-K159 IonicContact OE2-NZ 3.26Å; E156-K159 PolarHBondContact OE2-NZ 3.31Å; W157-K159 PolarHBondContact O-N 2.78Å; W157-K159 VanDerWaalsContact O-N 3.08Å; K159-Y458 WeakPolarHBondContact CG-O 3.41Å; K159-Q459 HydrophobicContact CB-CG 4.07Å; K159-Q459 HydrophobicContact CG-CG 4.36Å; K159-Q459 PolarHBondContact O-NE2 3.19Å
160	Y	87.7	Confident	80.3	Confident	42 Å²	42	46.4 Å²	46.4	17%	0.165	22%	0.222	C	C	.	.			trans	-117.4	119.2	-172.1	-59.9	-74.9	0	0	0	111	E156 W157 S158 Y162 E163 W164	E156-Y160 WeakPolarHBondContact O-CD2 3.43Å; E156-Y160 WeakPolarHBondContact O-CE2 3.13Å; W157-Y160 PolarHBondContact O-N 2.97Å; S158-Y160 PolarHBondContact O-N 3.04Å; Y160-Y162 VanDerWaalsContact C-N 3.27Å; Y160-Y162 VanDerWaalsContact CB-CE1 3.48Å; Y160-Y162 AromaticContact CD1-CE1 3.87Å; Y160-Y162 HydrophobicContact CD1-CE1 3.87Å; Y160-Y162 AromaticContact CG-CE1 3.84Å; Y160-Y162 HydrophobicContact CG-CE1 3.84Å; Y160-Y162 PolarHBondContact O-N 2.97Å; Y160-E163 WeakPolarHBondContact O-CB 3.42Å; Y160-E163 PolarHBondContact O-N 2.91Å; Y160-E163 VanDerWaalsContact O-N 3.12Å; Y160-W164 PolarHBondContact O-N 2.84Å
161	S	91.9	Very high	80.9	Confident	4 Å²	4	45 Å²	45	3%	0.028	20%	0.202	C	C	.	.	H	α-helix	trans	-60.7	-34.2	-177.9	56.1	0	0	0	0	113.5	E163 W164 F165 Y220 H452	S161-E163 VanDerWaalsContact C-N 3.3Å; S161-E163 PolarHBondContact O-N 2.76Å; S161-W164 WeakPolarHBondContact O-CB 3.22Å; S161-W164 PolarHBondContact O-N 2.84Å; S161-F165 PolarHBondContact O-N 3.27Å; S161-Y220 WeakPolarHBondContact CB-OH 3.44Å; S161-H452 WeakPolarHBondContact CB-ND1 3.33Å; S161-H452 PolarHBondContact OG-CE1 3.32Å; S161-H452 VanDerWaalsContact OG-CE1 3.23Å; S161-H452 PolarHBondContact OG-ND1 3.26Å
162	Y	90.6	Very high	80.7	Confident	1 Å²	1	35.1 Å²	35.1	0%	0.004	17%	0.167	C	C	.	.	H	α-helix	trans	-68.2	-28.4	178.7	73.6	-95.8	0	0	0	112.6	P145 L147 Y160 F165 Q166 L223 I224 A399	P145-Y162 HydrophobicContact CB-CE2 4Å; L147-Y162 HydrophobicContact CD1-CE2 4.24Å; L147-Y162 WeakPolarHBondContact CD1-OH 3.5Å; Y160-Y162 VanDerWaalsContact C-N 3.27Å; Y160-Y162 VanDerWaalsContact CB-CE1 3.48Å; Y160-Y162 AromaticContact CD1-CE1 3.87Å; Y160-Y162 HydrophobicContact CD1-CE1 3.87Å; Y160-Y162 AromaticContact CG-CE1 3.84Å; Y160-Y162 HydrophobicContact CG-CE1 3.84Å; Y160-Y162 PolarHBondContact O-N 2.97Å; Y162-F165 PolarHBondContact O-N 3.38Å; Y162-Q166 WeakPolarHBondContact O-CB 3.46Å; Y162-Q166 PolarHBondContact O-N 3.47Å; Y162-L223 HydrophobicContact CD1-CD2 3.96Å; Y162-L223 HydrophobicContact CE1-CD2 4.36Å; Y162-L223 HydrophobicContact CG-CD2 4.3Å; Y162-I224 HydrophobicContact CD2-CD1 4.45Å; Y162-I224 HydrophobicContact CD2-CG2 4.06Å; Y162-I224 HydrophobicContact CG-CG2 4.41Å; Y162-I224 WeakPolarHBondContact O-CD1 3.31Å; Y162-A399 HydrophobicContact CE1-CB 3.91Å; Y162-A399 WeakPolarHBondContact OH-CB 3.12Å
163	E	87.3	Confident	79.9	Confident	4 Å²	4	36.7 Å²	36.7	2%	0.019	17%	0.173	C	C	.	.	H	α-helix	trans	-69.4	-39.8	174.4	-75.8	-70.2	140.4	0	0	111.1	L147 W157 Y160 S161 R167	L147-E163 WeakPolarHBondContact CB-OE1 3.44Å; W157-E163 HydrophobicContact CB-CB 4.25Å; W157-E163 HydrophobicContact CB-CG 4.02Å; W157-E163 HydrophobicContact CE3-CB 3.93Å; W157-E163 WeakPolarHBondContact O-CB 3.48Å; Y160-E163 WeakPolarHBondContact O-CB 3.42Å; Y160-E163 PolarHBondContact O-N 2.91Å; Y160-E163 VanDerWaalsContact O-N 3.12Å; S161-E163 VanDerWaalsContact C-N 3.3Å; S161-E163 PolarHBondContact O-N 2.76Å; E163-R167 WeakPolarHBondContact O-CB 3.44Å; E163-R167 WeakPolarHBondContact O-CD 3.27Å; E163-R167 WeakPolarHBondContact O-CG 3.47Å; E163-R167 PolarHBondContact O-N 3.04Å; E163-R167 VanDerWaalsContact O-N 3.1Å; E163-R167 IonicContact OE2-CZ 3.03Å; E163-R167 IonicContact OE2-NE 3.15Å; E163-R167 PolarHBondContact OE2-NE 3.09Å; E163-R167 IonicContact OE2-NH2 3.18Å
164	W	88.8	Confident	78.7	Confident	5 Å²	5	38.6 Å²	38.6	2%	0.019	18%	0.176	C	C	.	.	H	α-helix	trans	-59.5	-50.8	170.3	-71.1	95.9	0	0	0	110.6	F154 W157 S158 Y160 S161 Q166 R167 F168 F451 L454 Y458	F154-W164 AromaticContact CE2-CH2 3.97Å; F154-W164 HydrophobicContact CE2-CH2 3.97Å; F154-W164 HydrophobicContact CE2-CZ2 4.22Å; F154-W164 HydrophobicContact CZ-CH2 4.15Å; F154-W164 HydrophobicContact CZ-CZ2 4.27Å; W157-W164 HydrophobicContact CH2-CE3 4.46Å; W157-W164 HydrophobicContact CH2-CH2 4.21Å; W157-W164 HydrophobicContact CH2-CZ2 4.31Å; W157-W164 HydrophobicContact CH2-CZ3 4.3Å; W157-W164 AromaticContact CZ3-CD2 3.86Å; W157-W164 HydrophobicContact CZ3-CD2 3.86Å; W157-W164 AromaticContact CZ3-CE2 3.79Å; W157-W164 HydrophobicContact CZ3-CE3 4.19Å; W157-W164 HydrophobicContact CZ3-CG 4.28Å; W157-W164 HydrophobicContact CZ3-CH2 4.32Å; W157-W164 HydrophobicContact CZ3-CZ2 4.03Å; W157-W164 HydrophobicContact CZ3-CZ3 4.4Å; S158-W164 PolarHBondContact O-NE1 2.91Å; Y160-W164 PolarHBondContact O-N 2.84Å; S161-W164 WeakPolarHBondContact O-CB 3.22Å; S161-W164 PolarHBondContact O-N 2.84Å; W164-Q166 PolarHBondContact O-N 3.49Å; W164-R167 PolarHBondContact O-N 3.47Å; W164-F168 HydrophobicContact CE3-CD2 4Å; W164-F168 AromaticContact CE3-CE2 3.43Å; W164-F168 HydrophobicContact CE3-CE2 3.43Å; W164-F168 VanDerWaalsContact CE3-CE2 3.43Å; W164-F168 HydrophobicContact CE3-CZ 4.4Å; W164-F168 AromaticContact CZ3-CE2 3.66Å; W164-F168 HydrophobicContact CZ3-CE2 3.66Å; W164-F168 HydrophobicContact CZ3-CZ 4.24Å; W164-F168 VanDerWaalsContact O-CD2 3.28Å; W164-F168 WeakPolarHBondContact O-CD2 3.46Å; W164-F168 PolarHBondContact O-N 3.01Å; W164-F451 HydrophobicContact CB-CB 3.88Å; W164-F451 HydrophobicContact CB-CD1 3.39Å; W164-F451 HydrophobicContact CB-CD2 4.5Å; W164-F451 HydrophobicContact CB-CE1 3.99Å; W164-F451 HydrophobicContact CB-CG 3.68Å; W164-F451 HydrophobicContact CG-CD1 4.18Å; W164-L454 HydrophobicContact CD2-CB 4.2Å; W164-L454 HydrophobicContact CD2-CD1 3.85Å; W164-L454 HydrophobicContact CE3-CD1 3.64Å; W164-L454 HydrophobicContact CH2-CD1 4.09Å; W164-L454 HydrophobicContact CZ2-CB 4.07Å; W164-L454 HydrophobicContact CZ2-CD1 4.25Å; W164-L454 HydrophobicContact CZ3-CD1 3.77Å; W164-Y458 HydrophobicContact CH2-CE2 4.18Å; W164-Y458 AromaticContact CZ2-CD2 3.88Å; W164-Y458 HydrophobicContact CZ2-CD2 3.88Å; W164-Y458 AromaticContact CZ2-CE2 3.53Å; W164-Y458 HydrophobicContact CZ2-CE2 3.53Å
165	F	90.7	Very high	77.1	Confident	10 Å²	10	44.5 Å²	44.5	4%	0.044	20%	0.202	C	C	.	.	H	α-helix	trans	-55.2	-49.9	178.3	-176.7	-91.3	0	0	0	112.2	S161 Y162 R167 F168 T169 Y220 I224 F451 P606	S161-F165 PolarHBondContact O-N 3.27Å; Y162-F165 PolarHBondContact O-N 3.38Å; F165-R167 VanDerWaalsContact C-N 3.29Å; F165-R167 PolarHBondContact O-N 3.33Å; F165-F168 PolarHBondContact O-N 3.09Å; F165-T169 HydrophobicContact CD1-CG2 4.31Å; F165-T169 HydrophobicContact CD2-CG2 3.98Å; F165-T169 HydrophobicContact CE1-CG2 4.07Å; F165-T169 HydrophobicContact CE2-CG2 3.71Å; F165-T169 HydrophobicContact CG-CG2 4.28Å; F165-T169 HydrophobicContact CZ-CG2 3.77Å; F165-T169 WeakPolarHBondContact O-CB 3.39Å; F165-T169 WeakPolarHBondContact O-CG2 3.42Å; F165-T169 PolarHBondContact O-N 3.22Å; F165-T169 PolarHBondContact O-OG1 3.1Å; F165-Y220 HydrophobicContact CB-CD1 4.1Å; F165-Y220 HydrophobicContact CB-CD2 4.22Å; F165-Y220 HydrophobicContact CB-CE1 4.14Å; F165-Y220 HydrophobicContact CB-CE2 4.29Å; F165-Y220 HydrophobicContact CB-CG 4.14Å; F165-Y220 HydrophobicContact CD1-CD2 4.37Å; F165-Y220 HydrophobicContact CD1-CG 4.04Å; F165-Y220 AromaticContact CD2-CD2 3.34Å; F165-Y220 HydrophobicContact CD2-CD2 3.34Å; F165-Y220 AromaticContact CD2-CE2 3.77Å; F165-Y220 HydrophobicContact CD2-CE2 3.77Å; F165-Y220 AromaticContact CD2-CG 3.85Å; F165-Y220 HydrophobicContact CD2-CG 3.85Å; F165-Y220 HydrophobicContact CE1-CG 4.41Å; F165-Y220 AromaticContact CE2-CD2 3.69Å; F165-Y220 HydrophobicContact CE2-CD2 3.69Å; F165-Y220 HydrophobicContact CE2-CE2 4.43Å; F165-Y220 HydrophobicContact CE2-CG 4.24Å; F165-Y220 HydrophobicContact CG-CD1 4.18Å; F165-Y220 AromaticContact CG-CD2 3.72Å; F165-Y220 HydrophobicContact CG-CD2 3.72Å; F165-Y220 HydrophobicContact CG-CE2 4.2Å; F165-Y220 AromaticContact CG-CG 3.73Å; F165-Y220 HydrophobicContact CG-CG 3.73Å; F165-Y220 HydrophobicContact CZ-CD2 4.33Å; F165-Y220 HydrophobicContact CZ-CG 4.49Å; F165-I224 HydrophobicContact CB-CD1 4.36Å; F165-I224 HydrophobicContact CD1-CD1 3.68Å; F165-I224 HydrophobicContact CD1-CG1 4.45Å; F165-I224 HydrophobicContact CE1-CD1 4.49Å; F165-I224 HydrophobicContact CG-CD1 4.43Å; F165-F451 HydrophobicContact CB-CD2 3.88Å; F165-F451 HydrophobicContact CB-CE2 4.02Å; F165-F451 HydrophobicContact CD2-CD2 4.1Å; F165-F451 AromaticContact CD2-CE2 3.86Å; F165-F451 HydrophobicContact CD2-CE2 3.86Å; F165-F451 HydrophobicContact CG-CE2 4.39Å; F165-P606 HydrophobicContact CD2-CB 4.14Å; F165-P606 HydrophobicContact CE2-CB 4.1Å
166	Q	85.4	Confident	75.5	Confident	42 Å²	42	46.8 Å²	46.8	20%	0.196	21%	0.212	C	C	.	.	H	α-helix	trans	-63	-31.2	-178.6	-172.7	176.9	-6.5	0	0	113.3	Y162 W164 Y180 I224	Y162-Q166 WeakPolarHBondContact O-CB 3.46Å; Y162-Q166 PolarHBondContact O-N 3.47Å; W164-Q166 PolarHBondContact O-N 3.49Å; Q166-Y180 PolarHBondContact NE2-OH 2.72Å; Q166-I224 HydrophobicContact CB-CD1 4.26Å
167	R	82.4	Confident	73.7	Confident	89 Å²	89	44.9 Å²	44.9	34%	0.336	21%	0.207	S	C	.	.	H	α-helix	trans	-84.9	-19.9	-177.3	-71.6	172	179.6	-81.4	-0	114.5	E163 W164 F165 R642	E163-R167 WeakPolarHBondContact O-CB 3.44Å; E163-R167 WeakPolarHBondContact O-CD 3.27Å; E163-R167 WeakPolarHBondContact O-CG 3.47Å; E163-R167 PolarHBondContact O-N 3.04Å; E163-R167 VanDerWaalsContact O-N 3.1Å; E163-R167 IonicContact OE2-CZ 3.03Å; E163-R167 IonicContact OE2-NE 3.15Å; E163-R167 PolarHBondContact OE2-NE 3.09Å; E163-R167 IonicContact OE2-NH2 3.18Å; W164-R167 PolarHBondContact O-N 3.47Å; F165-R167 VanDerWaalsContact C-N 3.29Å; F165-R167 PolarHBondContact O-N 3.33Å; R167-R642 PolarHBondContact O-NH2 3.2Å
168	F	83	Confident	72.2	Confident	26 Å²	26	45 Å²	45	11%	0.114	21%	0.212	C	C	.	.	H	α-helix	trans	-108.7	-17.3	-177.2	-77.8	-77.2	0	0	0	114	W164 F165 F451 W598 I602 Y605	W164-F168 HydrophobicContact CE3-CD2 4Å; W164-F168 AromaticContact CE3-CE2 3.43Å; W164-F168 HydrophobicContact CE3-CE2 3.43Å; W164-F168 VanDerWaalsContact CE3-CE2 3.43Å; W164-F168 HydrophobicContact CE3-CZ 4.4Å; W164-F168 AromaticContact CZ3-CE2 3.66Å; W164-F168 HydrophobicContact CZ3-CE2 3.66Å; W164-F168 HydrophobicContact CZ3-CZ 4.24Å; W164-F168 VanDerWaalsContact O-CD2 3.28Å; W164-F168 WeakPolarHBondContact O-CD2 3.46Å; W164-F168 PolarHBondContact O-N 3.01Å; F165-F168 PolarHBondContact O-N 3.09Å; F168-F451 HydrophobicContact CB-CE1 4.33Å; F168-F451 HydrophobicContact CB-CZ 3.9Å; F168-F451 HydrophobicContact CD2-CE1 4.14Å; F168-F451 HydrophobicContact CG-CE1 4.39Å; F168-F451 HydrophobicContact CG-CZ 4.44Å; F168-W598 HydrophobicContact CD1-CG 4.47Å; F168-W598 HydrophobicContact CE1-CB 4.05Å; F168-W598 AromaticContact CE1-CD1 3.86Å; F168-W598 AromaticContact CE1-CD2 3.39Å; F168-W598 HydrophobicContact CE1-CD2 3.39Å; F168-W598 AromaticContact CE1-CE2 3.7Å; F168-W598 AromaticContact CE1-CE3 3.82Å; F168-W598 HydrophobicContact CE1-CE3 3.82Å; F168-W598 AromaticContact CE1-CG 3.5Å; F168-W598 HydrophobicContact CE1-CG 3.5Å; F168-W598 HydrophobicContact CE1-CZ2 4.33Å; F168-W598 HydrophobicContact CE1-CZ3 4.46Å; F168-W598 AromaticContact CE1-NE1 3.99Å; F168-W598 AromaticContact CZ-CD2 3.59Å; F168-W598 HydrophobicContact CZ-CD2 3.59Å; F168-W598 AromaticContact CZ-CE2 3.82Å; F168-W598 AromaticContact CZ-CE3 3.56Å; F168-W598 HydrophobicContact CZ-CE3 3.56Å; F168-W598 HydrophobicContact CZ-CG 4.2Å; F168-W598 HydrophobicContact CZ-CH2 4.01Å; F168-W598 HydrophobicContact CZ-CZ2 4.02Å; F168-W598 AromaticContact CZ-CZ3 3.79Å; F168-W598 HydrophobicContact CZ-CZ3 3.79Å; F168-I602 HydrophobicContact CD1-CD1 3.48Å; F168-I602 VanDerWaalsContact CD1-CD1 3.48Å; F168-I602 HydrophobicContact CE1-CD1 3.79Å; F168-I602 HydrophobicContact CG-CD1 4.02Å; F168-Y605 HydrophobicContact CB-CE2 4.27Å; F168-Y605 PolarHBondContact O-OH 2.92Å
169	T	80.7	Confident	71.7	Confident	20 Å²	20	49.2 Å²	49.2	12%	0.123	23%	0.234	C	C	.	.	S	Bend	trans	-90.5	171.4	168.6	59.5	0	0	0	0	110.9	F165	F165-T169 HydrophobicContact CD1-CG2 4.31Å; F165-T169 HydrophobicContact CD2-CG2 3.98Å; F165-T169 HydrophobicContact CE1-CG2 4.07Å; F165-T169 HydrophobicContact CE2-CG2 3.71Å; F165-T169 HydrophobicContact CG-CG2 4.28Å; F165-T169 HydrophobicContact CZ-CG2 3.77Å; F165-T169 WeakPolarHBondContact O-CB 3.39Å; F165-T169 WeakPolarHBondContact O-CG2 3.42Å; F165-T169 PolarHBondContact O-N 3.22Å; F165-T169 PolarHBondContact O-OG1 3.1Å
170	F	69.5	Low	71.8	Confident	21 Å²	21	48.6 Å²	48.6	9%	0.092	23%	0.23	C	C	.	.			trans	-61.1	137.6	-176.3	-67.1	-69.8	0	0	0	112.5	Y230 P611 L616 W632 P641	F170-Y230 HydrophobicContact CD2-CE1 4.42Å; F170-P611 HydrophobicContact CE2-CB 3.85Å; F170-P611 HydrophobicContact CE2-CG 3.6Å; F170-P611 HydrophobicContact CZ-CB 3.97Å; F170-P611 HydrophobicContact CZ-CG 3.93Å; F170-L616 HydrophobicContact CD2-CD1 3.95Å; F170-L616 HydrophobicContact CE1-CD1 4.18Å; F170-L616 HydrophobicContact CE2-CD1 3.23Å; F170-L616 HydrophobicContact CZ-CD1 3.36Å; F170-W632 HydrophobicContact CE1-CZ3 4.03Å; F170-P641 HydrophobicContact CE1-CB 4.41Å
171	E	64	Low	72	Confident	91 Å²	91	49.5 Å²	49.5	43%	0.425	24%	0.238	S	C	.	.			trans	-111.3	137.3	-179.7	-169.4	-176.1	-166	0	0	109.4	K639	E171-K639 HydrophobicContact CB-CD 4.38Å; E171-K639 VanDerWaalsContact O-CB 3.27Å; E171-K639 WeakPolarHBondContact O-CB 3Å; E171-K639 PolarHBondContact O-N 2.9Å; E171-K639 IonicContact OE2-NZ 3.75Å; E171-K639 PolarHBondContact OE2-NZ 3.16Å
172	P	54.3	Low	72.3	Confident	18 Å²	18	50 Å²	50	12%	0.117	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-72.6	145.8	171.1	32.5	-34.6	0	0	0	110.3	Y229	P172-Y229 HydrophobicContact CB-CD1 4.43Å; P172-Y229 HydrophobicContact CB-CE1 4.04Å; P172-Y229 VanDerWaalsContact CD-CE1 3.41Å; P172-Y229 HydrophobicContact CG-CD1 4.38Å; P172-Y229 HydrophobicContact CG-CE1 3.59Å
173	I	52.9	Low	72.5	Confident	61 Å²	61	52.2 Å²	52.2	31%	0.313	25%	0.252	S	S	.	.	S	Bend	trans	-71.8	-48.1	178.1	-63.8	105	0	0	0	111.7	K175 V633 L638	I173-K175 PolarHBondContact O-N 3.19Å; I173-V633 HydrophobicContact CB-CG1 4.16Å; I173-V633 VanDerWaalsContact CD1-CA 3.47Å; I173-V633 HydrophobicContact CD1-CB 3.75Å; I173-V633 HydrophobicContact CD1-CG1 3.68Å; I173-V633 HydrophobicContact CD1-CG2 3.69Å; I173-V633 HydrophobicContact CG1-CB 4.05Å; I173-V633 HydrophobicContact CG1-CG1 3.69Å; I173-V633 HydrophobicContact CG1-CG2 3.67Å; I173-V633 HydrophobicContact CG2-CG1 3.88Å; I173-L638 VanDerWaalsContact CD1-N 3.27Å; I173-L638 WeakPolarHBondContact CD1-O 3.29Å
174	H	49.7	Very low	72.9	Confident	98 Å²	98	52 Å²	52	45%	0.454	25%	0.251	S	S	.	.			trans	-81	112.3	-173.4	-75.7	-79.3	0	0	0	109.6	E176 S177 S178 N637	H174-E176 PolarHBondContact O-N 3.42Å; H174-E176 VanDerWaalsContact O-N 3.07Å; H174-S177 WeakPolarHBondContact O-CA 3.27Å; H174-S177 PolarHBondContact O-N 3.16Å; H174-S177 PolarHBondContact O-OG 3.22Å; H174-S178 PolarHBondContact O-N 3.03Å; H174-N637 PolarHBondContact CD2-OD1 2.9Å
175	K	46.8	Very low	73.4	Confident	152 Å²	152	51.9 Å²	51.9	66%	0.661	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-23.5	165.9	-79.3	-174.6	176.6	-176.7	0	112.9	I173 S178 I179	I173-K175 PolarHBondContact O-N 3.19Å; K175-S178 WeakPolarHBondContact CA-OG 3.18Å; K175-S178 CarbonylContact O-C 3.56Å; K175-S178 VanDerWaalsContact O-C 3.26Å; K175-S178 PolarHBondContact O-N 3.46Å; K175-S178 PolarHBondContact O-OG 3.45Å; K175-I179 PolarHBondContact O-N 3.29Å
176	E	43.6	Very low	73.7	Confident	155 Å²	155	52.5 Å²	52.5	72%	0.724	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-32.8	173.3	-68.6	179.7	169.6	0	0	112.9	H174 S178 I179	H174-E176 PolarHBondContact O-N 3.42Å; H174-E176 VanDerWaalsContact O-N 3.07Å; E176-S178 VanDerWaalsContact C-N 3.27Å; E176-I179 WeakPolarHBondContact O-CD1 3.39Å; E176-I179 VanDerWaalsContact O-CG1 3.23Å; E176-I179 WeakPolarHBondContact O-CG1 3.34Å; E176-I179 PolarHBondContact O-N 3.37Å
177	S	43.9	Very low	74.3	Confident	29 Å²	29	50.5 Å²	50.5	20%	0.203	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-17.5	168.1	70.1	0	0	0	0	112.6	H174 I179	H174-S177 WeakPolarHBondContact O-CA 3.27Å; H174-S177 PolarHBondContact O-N 3.16Å; H174-S177 PolarHBondContact O-OG 3.22Å; S177-I179 VanDerWaalsContact C-N 3.33Å
178	S	52.2	Low	74.9	Confident	31 Å²	31	46.3 Å²	46.3	22%	0.217	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	29.8	168.2	80.2	0	0	0	0	113.1	H174 K175 E176 Y180	H174-S178 PolarHBondContact O-N 3.03Å; K175-S178 WeakPolarHBondContact CA-OG 3.18Å; K175-S178 CarbonylContact O-C 3.56Å; K175-S178 VanDerWaalsContact O-C 3.26Å; K175-S178 PolarHBondContact O-N 3.46Å; K175-S178 PolarHBondContact O-OG 3.45Å; E176-S178 VanDerWaalsContact C-N 3.27Å; S178-Y180 VanDerWaalsContact C-N 3.34Å; S178-Y180 PolarHBondContact O-N 3.05Å
179	I	74.7	Confident	75.6	Confident	88 Å²	88	45.1 Å²	45.1	45%	0.451	22%	0.222	S	C	.	.			trans	-72	99.8	162.6	-63.2	166.3	0	0	0	106.3	S140 K175 E176 S177 N181	S140-I179 VanDerWaalsContact CB-O 3.3Å; S140-I179 WeakPolarHBondContact CB-O 3.32Å; K175-I179 PolarHBondContact O-N 3.29Å; E176-I179 WeakPolarHBondContact O-CD1 3.39Å; E176-I179 VanDerWaalsContact O-CG1 3.23Å; E176-I179 WeakPolarHBondContact O-CG1 3.34Å; E176-I179 PolarHBondContact O-N 3.37Å; S177-I179 VanDerWaalsContact C-N 3.33Å; I179-N181 HydrophobicContact CG2-CB 4.36Å; I179-N181 PolarHBondContact O-N 2.73Å
180	Y	87.6	Confident	76.3	Confident	34 Å²	34	44.3 Å²	44.3	13%	0.133	22%	0.217	C	C	.	.			trans	-65.3	116.2	166.1	-59.4	-44.1	0	0	0	108.5	A141 Q144 Q166 S178	A141-Y180 HydrophobicContact CB-CD1 3.96Å; A141-Y180 HydrophobicContact CB-CE1 4.21Å; A141-Y180 WeakPolarHBondContact O-CA 3.01Å; Q144-Y180 HydrophobicContact CG-CD1 3.48Å; Q144-Y180 VanDerWaalsContact CG-CD1 3.48Å; Q144-Y180 HydrophobicContact CG-CD2 3.76Å; Q144-Y180 HydrophobicContact CG-CE1 3.46Å; Q144-Y180 VanDerWaalsContact CG-CE1 3.46Å; Q144-Y180 HydrophobicContact CG-CE2 3.71Å; Q144-Y180 HydrophobicContact CG-CG 3.65Å; Q166-Y180 PolarHBondContact NE2-OH 2.72Å; S178-Y180 VanDerWaalsContact C-N 3.34Å; S178-Y180 PolarHBondContact O-N 3.05Å
181	N	93.1	Very high	77.4	Confident	60 Å²	60	43.3 Å²	43.3	32%	0.321	21%	0.213	S	C	.	.	B	Isolated β-bridge	trans	-132.7	155.3	-176.3	-156.6	-47.7	0	0	0	110.7	A141 C142 S143 I179 D183	A141-N181 PolarHBondContact O-N 3.11Å; C142-N181 CarbonylContact C-O 3.45Å; C142-N181 WeakPolarHBondContact CA-O 3.42Å; S143-N181 PolarHBondContact N-O 3.16Å; S143-N181 PolarHBondContact OG-O 2.74Å; I179-N181 HydrophobicContact CG2-CB 4.36Å; I179-N181 PolarHBondContact O-N 2.73Å; N181-D183 VanDerWaalsContact C-N 3.29Å; N181-D183 PolarHBondContact OD1-N 2.82Å
182	E	96.3	Very high	78.5	Confident	15 Å²	15	39.4 Å²	39.4	7%	0.07	20%	0.195	C	C	.	.	S	Bend	trans	-71.8	-29.2	168.7	-69.6	-178.6	-94.5	0	0	111.4	P112 T113 R119 S143 C184 F252	P112-E182 WeakPolarHBondContact CD-O 3.37Å; P112-E182 WeakPolarHBondContact CG-O 3.26Å; T113-E182 HydrophobicContact CG2-CB 3.95Å; R119-E182 WeakPolarHBondContact CG-OE2 3.31Å; R119-E182 IonicContact CZ-OE1 3.72Å; R119-E182 IonicContact CZ-OE2 2.76Å; R119-E182 IonicContact NE-OE1 3.65Å; R119-E182 PolarHBondContact NE-OE1 2.73Å; R119-E182 IonicContact NE-OE2 3.41Å; R119-E182 PolarHBondContact NE-OE2 3.12Å; R119-E182 IonicContact NH2-OE1 3.43Å; R119-E182 PolarHBondContact NH2-OE1 3.29Å; R119-E182 IonicContact NH2-OE2 3.99Å; S143-E182 PolarHBondContact OG-N 3.44Å; S143-E182 VanDerWaalsContact OG-N 3.1Å; E182-C184 VanDerWaalsContact C-N 3.34Å; E182-C184 PolarHBondContact O-N 2.56Å; E182-F252 HydrophobicContact CG-CD1 4.07Å; E182-F252 HydrophobicContact CG-CE1 3.89Å; E182-F252 HydrophobicContact CG-CZ 4.45Å; E182-F252 WeakPolarHBondContact OE2-CE1 3.44Å
183	D	96.1	Very high	79.9	Confident	48 Å²	48	42.7 Å²	42.7	26%	0.257	21%	0.205	S	C	.	.			trans	-75	87.2	167.9	-176.5	4	0	0	0	109.8	P111 T113 S140 N181 Y186	P111-D183 HydrophobicContact CB-CB 3.79Å; P111-D183 WeakPolarHBondContact CB-OD1 3.22Å; T113-D183 HydrophobicContact CG2-CB 4.17Å; S140-D183 WeakPolarHBondContact CB-O 3.31Å; N181-D183 VanDerWaalsContact C-N 3.29Å; N181-D183 PolarHBondContact OD1-N 2.82Å; D183-Y186 VanDerWaalsContact CG-OH 3.22Å; D183-Y186 WeakPolarHBondContact OD1-CE2 3.39Å; D183-Y186 PolarHBondContact OD1-OH 3.42Å; D183-Y186 PolarHBondContact OD2-OH 2.89Å
184	C	96.2	Very high	81.1	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.205	C	C	.	.			trans	-145.3	4	-171.9	68.7	0	0	0	0	115.3	C142 E182 Y186 N246	C142-C184 VanDerWaalsContact CA-CB 3.42Å; C142-C184 WeakPolarHBondContact CA-SG 3.36Å; C142-C184 HydrophobicContact CB-CB 3.78Å; C142-C184 WeakPolarHBondContact CB-SG 3.45Å; C142-C184 WeakPolarHBondContact SG-CB 3.43Å; C142-C184 CovalentContact SG-SG 2.03Å; C142-C184 PolarHBondContact SG-SG 2.9Å; E182-C184 VanDerWaalsContact C-N 3.34Å; E182-C184 PolarHBondContact O-N 2.56Å; C184-Y186 PolarHBondContact O-N 2.98Å; C184-N246 VanDerWaalsContact O-CB 3.31Å; C184-N246 WeakPolarHBondContact O-CB 3.47Å
185	L	98.2	Very high	82.2	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.01	20%	0.198	C	C	.	.			trans	-79.3	67.9	-176.1	-58.5	-170.8	0	0	0	111.7	Y108 A109 P112 P123 R248 D287	Y108-L185 VanDerWaalsContact CD1-O 3.28Å; Y108-L185 WeakPolarHBondContact CD1-O 3.44Å; Y108-L185 HydrophobicContact CE1-CB 4.06Å; Y108-L185 WeakPolarHBondContact CE1-O 3.27Å; Y108-L185 HydrophobicContact CE2-CB 4Å; Y108-L185 PolarHBondContact N-O 3.05Å; Y108-L185 WeakPolarHBondContact OH-CD2 3.29Å; A109-L185 HydrophobicContact CB-CB 4.06Å; A109-L185 HydrophobicContact CB-CD1 3.57Å; A109-L185 HydrophobicContact CB-CG 4.48Å; P112-L185 HydrophobicContact CB-CD1 4.44Å; P112-L185 HydrophobicContact CG-CD1 3.78Å; P112-L185 HydrophobicContact CG-CD2 4.43Å; P112-L185 HydrophobicContact CG-CG 3.94Å; P123-L185 HydrophobicContact CB-CD1 4.12Å; L185-R248 HydrophobicContact CD2-CG 4.13Å; L185-D287 HydrophobicContact CD2-CB 4.19Å; L185-D287 WeakPolarHBondContact CD2-OD2 3.31Å
186	Y	97.1	Very high	83.1	Confident	23 Å²	23	36 Å²	36	9%	0.09	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	149.7	-175.3	-59	-80.2	0	0	0	112	G105 I106 P107 R139 D183 C184 N246	G105-Y186 WeakPolarHBondContact O-CD1 3.38Å; I106-Y186 CarbonylContact O-C 3.43Å; I106-Y186 VanDerWaalsContact O-CA 3.29Å; I106-Y186 WeakPolarHBondContact O-CA 3.48Å; P107-Y186 HydrophobicContact CB-CD1 3.98Å; P107-Y186 HydrophobicContact CB-CE1 3.82Å; P107-Y186 HydrophobicContact CG-CE1 4.5Å; R139-Y186 HydrophobicContact CB-CD1 4.02Å; R139-Y186 HydrophobicContact CB-CD2 3.37Å; R139-Y186 HydrophobicContact CB-CE1 4.24Å; R139-Y186 HydrophobicContact CB-CE2 3.66Å; R139-Y186 HydrophobicContact CB-CG 3.58Å; R139-Y186 HydrophobicContact CG-CD1 3.75Å; R139-Y186 HydrophobicContact CG-CD2 4.03Å; R139-Y186 HydrophobicContact CG-CE1 3.82Å; R139-Y186 HydrophobicContact CG-CE2 4.13Å; R139-Y186 HydrophobicContact CG-CG 3.86Å; D183-Y186 VanDerWaalsContact CG-OH 3.22Å; D183-Y186 WeakPolarHBondContact OD1-CE2 3.39Å; D183-Y186 PolarHBondContact OD1-OH 3.42Å; D183-Y186 PolarHBondContact OD2-OH 2.89Å; C184-Y186 PolarHBondContact O-N 2.98Å; Y186-N246 PolarHBondContact O-N 3.37Å
187	L	97.9	Very high	83.6	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	156.9	170.8	60.5	81.2	0	0	0	111.6	G105 I106 Y108 I189 I243 T244 V245 F294 I295	G105-L187 PolarHBondContact N-O 3.49Å; I106-L187 HydrophobicContact CB-CD1 3.86Å; I106-L187 HydrophobicContact CB-CG 4.39Å; I106-L187 HydrophobicContact CD1-CD1 4.35Å; I106-L187 HydrophobicContact CG2-CD1 4.23Å; I106-L187 PolarHBondContact N-O 2.73Å; I106-L187 PolarHBondContact O-N 3.21Å; Y108-L187 HydrophobicContact CD1-CB 4.26Å; Y108-L187 HydrophobicContact CD1-CD2 4.07Å; Y108-L187 HydrophobicContact CD1-CG 4.25Å; Y108-L187 HydrophobicContact CG-CD2 4.35Å; L187-I189 HydrophobicContact CD1-CD1 3.74Å; L187-I189 HydrophobicContact CD1-CG1 3.51Å; L187-I243 HydrophobicContact CB-CG2 4.07Å; L187-I243 HydrophobicContact CD1-CG2 4.13Å; L187-I243 HydrophobicContact CD2-CG2 4.33Å; L187-I243 HydrophobicContact CG-CG2 4.42Å; L187-T244 CarbonylContact C-O 3.58Å; L187-T244 VanDerWaalsContact CA-O 3.28Å; L187-T244 WeakPolarHBondContact CA-O 3.47Å; L187-V245 HydrophobicContact CB-CB 4.46Å; L187-V245 HydrophobicContact CB-CG1 4.48Å; L187-V245 HydrophobicContact CB-CG2 3.95Å; L187-F294 HydrophobicContact CD1-CE1 4.32Å; L187-F294 HydrophobicContact CD2-CD1 3.71Å; L187-F294 HydrophobicContact CD2-CE1 4.08Å; L187-F294 HydrophobicContact CD2-CG 4.47Å; L187-I295 HydrophobicContact CD2-CD1 4.43Å; L187-I295 HydrophobicContact CD2-CG1 4.13Å
188	N	95.7	Very high	84	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	140.2	174.3	-45.9	-59.5	0	0	0	108.7	W103 K104 G105 F138 Y190 I243 T244	W103-N188 CarbonylContact O-C 3.5Å; W103-N188 VanDerWaalsContact O-CA 3.23Å; W103-N188 WeakPolarHBondContact O-CA 3.39Å; K104-N188 VanDerWaalsContact CA-OD1 3.3Å; K104-N188 WeakPolarHBondContact CA-OD1 3.41Å; G105-N188 PolarHBondContact N-OD1 2.79Å; F138-N188 WeakPolarHBondContact CD1-OD1 3.44Å; F138-N188 HydrophobicContact CE1-CB 4.31Å; F138-N188 WeakPolarHBondContact CE1-ND2 3.45Å; N188-Y190 HydrophobicContact CB-CE2 3.81Å; N188-I243 VanDerWaalsContact O-CA 3.23Å; N188-I243 WeakPolarHBondContact O-CA 3.2Å; N188-T244 WeakPolarHBondContact CB-OG1 3.2Å; N188-T244 PolarHBondContact N-O 2.93Å; N188-T244 PolarHBondContact ND2-OG1 3.45Å; N188-T244 VanDerWaalsContact ND2-OG1 3.08Å; N188-T244 PolarHBondContact O-N 3.36Å
189	I	97.4	Very high	83.8	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	131.2	-177.7	-55.1	-179.4	0	0	0	108.9	I72 I102 W103 I106 L187 V241 I243 F302	I72-I189 HydrophobicContact CD1-CD1 4.23Å; I102-I189 WeakPolarHBondContact CA-O 3.38Å; W103-I189 HydrophobicContact CE3-CB 4.01Å; W103-I189 HydrophobicContact CE3-CG2 3.98Å; W103-I189 HydrophobicContact CZ3-CG2 4.21Å; W103-I189 PolarHBondContact N-O 3.28Å; W103-I189 PolarHBondContact O-N 2.96Å; I106-I189 HydrophobicContact CD1-CD1 3.7Å; I106-I189 HydrophobicContact CD1-CG1 4.14Å; L187-I189 HydrophobicContact CD1-CD1 3.74Å; L187-I189 HydrophobicContact CD1-CG1 3.51Å; I189-V241 HydrophobicContact CG2-CG1 4.17Å; I189-I243 HydrophobicContact CG1-CD1 4.43Å; I189-I243 HydrophobicContact CG1-CG1 4.25Å; I189-I243 HydrophobicContact CG1-CG2 4.44Å; I189-I243 HydrophobicContact CG2-CG1 4.47Å; I189-F302 HydrophobicContact CD1-CD1 3.69Å; I189-F302 HydrophobicContact CD1-CE1 3.86Å; I189-F302 HydrophobicContact CD1-CG 4.21Å; I189-F302 HydrophobicContact CG2-CB 4.16Å; I189-F302 HydrophobicContact CG2-CD2 4.38Å; I189-F302 HydrophobicContact CG2-CG 4.16Å
190	Y	94.3	Very high	82.3	Confident	3 Å²	3	41.5 Å²	41.5	1%	0.012	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	128.8	174.4	-51.9	-98	0	0	0	108.4	Q101 I102 F138 N188 P231 H233 V241 V242 T244	Q101-Y190 WeakPolarHBondContact O-CA 3.44Å; I102-Y190 HydrophobicContact CB-CD1 4.39Å; I102-Y190 HydrophobicContact CD1-CD1 4.23Å; I102-Y190 HydrophobicContact CD1-CE1 4.43Å; I102-Y190 HydrophobicContact CG1-CD1 3.94Å; I102-Y190 HydrophobicContact CG1-CE1 4.43Å; I102-Y190 HydrophobicContact CG2-CD1 3.85Å; I102-Y190 HydrophobicContact CG2-CE1 3.66Å; F138-Y190 WeakPolarHBondContact CE1-OH 3.49Å; F138-Y190 VanDerWaalsContact CZ-OH 3.31Å; F138-Y190 WeakPolarHBondContact CZ-OH 3.09Å; N188-Y190 HydrophobicContact CB-CE2 3.81Å; Y190-P231 HydrophobicContact CE1-CB 4.47Å; Y190-H233 HydrophobicContact CD1-CB 4.28Å; Y190-V241 WeakPolarHBondContact O-CA 3.17Å; Y190-V242 WeakPolarHBondContact CD2-O 3.28Å; Y190-V242 PolarHBondContact N-O 3.02Å; Y190-V242 PolarHBondContact O-N 2.98Å; Y190-T244 HydrophobicContact CE2-CG2 4.42Å
191	N	93.4	Very high	80.1	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	164.3	175.1	78.9	-13.7	0	0	0	112.3	L100 Q101 W103 V241 F302	L100-N191 CarbonylContact C-O 3.48Å; Q101-N191 WeakPolarHBondContact CB-OD1 3.26Å; Q101-N191 WeakPolarHBondContact CG-OD1 3.47Å; Q101-N191 PolarHBondContact N-O 3.38Å; Q101-N191 PolarHBondContact O-N 3.41Å; Q101-N191 PolarHBondContact OE1-OD1 3.49Å; W103-N191 WeakPolarHBondContact CZ3-OD1 3.35Å; N191-V241 HydrophobicContact CB-CG2 3.85Å; N191-F302 PolarHBondContact ND2-O 2.77Å
192	L	87	Confident	77.7	Confident	9 Å²	9	49.5 Å²	49.5	5%	0.047	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	134.4	171.8	-173	70.2	0	0	0	110.2	L86 R98 E194 Y211	L86-L192 HydrophobicContact CD1-CD1 3.49Å; L86-L192 VanDerWaalsContact CD1-CD1 3.49Å; R98-L192 HydrophobicContact CB-CD1 4.37Å; L192-E194 HydrophobicContact CD2-CG 4.2Å; L192-E194 HydrophobicContact CG-CG 4.25Å; L192-Y211 WeakPolarHBondContact O-CE2 3.23Å
193	Y	83.8	Confident	75.2	Confident	86 Å²	86	56.6 Å²	56.6	34%	0.337	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	126.7	172	178.6	-112.6	0	0	0	110.2	R98 Y99 T195 L303	R98-Y193 CarbonylContact C-O 3.59Å; R98-Y193 WeakPolarHBondContact CA-O 3.18Å; Y99-Y193 HydrophobicContact CD2-CD1 4.09Å; Y99-Y193 PolarHBondContact N-O 2.68Å; Y99-Y193 PolarHBondContact O-N 3.33Å; Y193-T195 HydrophobicContact CD1-CG2 4.21Å; Y193-T195 HydrophobicContact CE1-CG2 3.53Å; Y193-L303 HydrophobicContact CD2-CD1 3.86Å
194	E	78.8	Confident	72.7	Confident	66 Å²	66	62 Å²	62	31%	0.308	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	133.1	-179.6	-51.4	-177.4	146	0	0	108.3	R98 L192 K209	R98-E194 HydrophobicContact CG-CG 4.04Å; L192-E194 HydrophobicContact CD2-CG 4.2Å; L192-E194 HydrophobicContact CG-CG 4.25Å; E194-K209 IonicContact OE2-NZ 2.71Å; E194-K209 PolarHBondContact OE2-NZ 3.08Å
195	T	72.4	Confident	70.1	Confident	51 Å²	51	64.8 Å²	64.8	31%	0.313	34%	0.336	S	S	.	.			trans	-95.4	-5.1	179.4	50.4	0	0	0	0	113.4	K97 Y99 Y193 T197	K97-T195 WeakPolarHBondContact CA-OG1 3.42Å; K97-T195 PolarHBondContact N-OG1 3.19Å; K97-T195 PolarHBondContact O-N 3.24Å; K97-T195 PolarHBondContact O-OG1 3.05Å; Y99-T195 HydrophobicContact CD2-CG2 4.21Å; Y99-T195 HydrophobicContact CE2-CG2 3.87Å; Y193-T195 HydrophobicContact CD1-CG2 4.21Å; Y193-T195 HydrophobicContact CE1-CG2 3.53Å; T195-T197 PolarHBondContact O-N 2.88Å; T195-T197 VanDerWaalsContact O-N 3.17Å
196	D	65.3	Low	67.4	Low	53 Å²	53	71.5 Å²	71.5	28%	0.283	37%	0.372	S	S	.	.			trans	-63.6	117.1	178.6	-164.8	-8.3	0	0	0	110.7	T198	D196-T198 WeakPolarHBondContact OD1-CB 3.24Å; D196-T198 WeakPolarHBondContact OD1-CG2 3.47Å; D196-T198 PolarHBondContact OD1-N 3.12Å; D196-T198 PolarHBondContact OD1-OG1 3.4Å; D196-T198 PolarHBondContact OD2-OG1 3.05Å
197	T	53.6	Low	65	Low	89 Å²	89	77.3 Å²	77.3	55%	0.546	40%	0.404	S	S	.	.			trans	-92.8	-2.1	177.5	51.7	0	0	0	0	112.6	T195 Y199 L200	T195-T197 PolarHBondContact O-N 2.88Å; T195-T197 VanDerWaalsContact O-N 3.17Å; T197-Y199 PolarHBondContact O-N 2.96Å; T197-L200 HydrophobicContact CG2-CD1 3.61Å; T197-L200 WeakPolarHBondContact O-CA 3.24Å; T197-L200 WeakPolarHBondContact O-CB 3.47Å; T197-L200 WeakPolarHBondContact O-CG 3.31Å; T197-L200 PolarHBondContact O-N 3.46Å
198	T	52.1	Low	63.5	Low	63 Å²	63	82.2 Å²	82.2	39%	0.387	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-67.4	-22.8	-176.8	57.2	0	0	0	0	113.6	N95 D196 L200 N201	N95-T198 HydrophobicContact CB-CG2 3.83Å; D196-T198 WeakPolarHBondContact OD1-CB 3.24Å; D196-T198 WeakPolarHBondContact OD1-CG2 3.47Å; D196-T198 PolarHBondContact OD1-N 3.12Å; D196-T198 PolarHBondContact OD1-OG1 3.4Å; D196-T198 PolarHBondContact OD2-OG1 3.05Å; T198-L200 PolarHBondContact O-N 3.46Å; T198-N201 PolarHBondContact O-N 2.99Å
199	Y	48.6	Very low	62.6	Low	186 Å²	186	88.1 Å²	88.1	73%	0.729	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-72.1	-9.1	166.7	-76	-78	0	0	0	114.1	T197 N201	T197-Y199 PolarHBondContact O-N 2.96Å; Y199-N201 VanDerWaalsContact C-N 3.31Å
200	L	43	Very low	62.2	Low	82 Å²	82	93 Å²	93	43%	0.429	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-80.5	-8.1	174.5	-59.9	173.4	0	0	0	113.2	T197 T198 D202	T197-L200 HydrophobicContact CG2-CD1 3.61Å; T197-L200 WeakPolarHBondContact O-CA 3.24Å; T197-L200 WeakPolarHBondContact O-CB 3.47Å; T197-L200 WeakPolarHBondContact O-CG 3.31Å; T197-L200 PolarHBondContact O-N 3.46Å; T198-L200 PolarHBondContact O-N 3.46Å; L200-D202 VanDerWaalsContact C-N 3.31Å
201	N	42.1	Very low	62.3	Low	137 Å²	137	93.7 Å²	93.7	73%	0.733	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-83.8	-2.9	177.4	-82.3	-13	0	0	0	113.9	T198 Y199 N203	T198-N201 PolarHBondContact O-N 2.99Å; Y199-N201 VanDerWaalsContact C-N 3.31Å; N201-N203 PolarHBondContact O-N 2.82Å
202	D	42.7	Very low	62.5	Low	125 Å²	125	94.3 Å²	94.3	67%	0.668	48%	0.481	S	S	*	.	S	Bend	trans	-73.7	105.7	157.3	-95.9	-20.1	0	0	0	107.6	L200 N204 S205	L200-D202 VanDerWaalsContact C-N 3.31Å; D202-N204 PolarHBondContact O-N 2.81Å; D202-S205 PolarHBondContact O-N 2.93Å; D202-S205 VanDerWaalsContact O-N 3.17Å; D202-S205 PolarHBondContact O-OG 3.27Å
203	N	43.1	Very low	63.1	Low	163 Å²	163	93.9 Å²	93.9	87%	0.872	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	18.8	-180	-79.3	-32.9	0	0	0	115.4	N201	N201-N203 PolarHBondContact O-N 2.82Å
204	N	44.8	Very low	63.8	Low	163 Å²	163	89.9 Å²	89.9	87%	0.872	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.7	2.1	176.9	-97	-16.3	0	0	0	115.2	D202 N206	D202-N204 PolarHBondContact O-N 2.81Å; N204-N206 PolarHBondContact O-N 3.37Å
205	S	40.4	Very low	64.7	Low	58 Å²	58	86.7 Å²	86.7	41%	0.406	45%	0.449	S	S	.	.			trans	-94.6	100.3	-178.7	62	0	0	0	0	112.7	D202 N207	D202-S205 PolarHBondContact O-N 2.93Å; D202-S205 VanDerWaalsContact O-N 3.17Å; D202-S205 PolarHBondContact O-OG 3.27Å; S205-N207 PolarHBondContact O-N 3.15Å
206	N	42.2	Very low	66	Low	143 Å²	143	84.3 Å²	84.3	77%	0.765	43%	0.434	S	S	*	.			trans	-44	139.2	156.7	-84.3	-37.2	0	0	0	110.5	N204 N208	N204-N206 PolarHBondContact O-N 3.37Å; N206-N208 PolarHBondContact O-N 2.83Å
207	N	47.3	Very low	67.6	Low	144 Å²	144	81.8 Å²	81.8	77%	0.77	42%	0.42	S	S	*	.	S	Bend	trans	-51.1	25.6	174.6	-90.7	-20.5	0	0	0	117.6	S205	S205-N207 PolarHBondContact O-N 3.15Å
208	N	65.2	Low	69.5	Low	103 Å²	103	77.9 Å²	77.9	55%	0.551	40%	0.396	S	S	*	.			trans	-125.6	46.8	-163.5	-71.4	-16	0	0	0	113.6	N206 R210	N206-N208 PolarHBondContact O-N 2.83Å; N208-R210 PolarHBondContact O-N 2.88Å
209	K	76.3	Confident	71.3	Confident	126 Å²	126	75 Å²	75	55%	0.548	38%	0.378	S	S	.	.			trans	-61.6	106.7	164.8	-174.6	177.3	179.3	-178.9	0	108	E194 Y211	E194-K209 IonicContact OE2-NZ 2.71Å; E194-K209 PolarHBondContact OE2-NZ 3.08Å; K209-Y211 VanDerWaalsContact CE-OH 3.26Å; K209-Y211 WeakPolarHBondContact CE-OH 3.27Å; K209-Y211 PolarHBondContact NZ-OH 3.38Å
210	R	90.7	Very high	73.5	Confident	102 Å²	102	66.7 Å²	66.7	39%	0.385	35%	0.345	S	S	.	.			trans	-111.5	143.5	176.6	-65.7	-178.8	180	177.8	-3.1	109.8	N208 L303 D305	N208-R210 PolarHBondContact O-N 2.88Å; R210-L303 CarbonylContact C-O 3.56Å; R210-L303 WeakPolarHBondContact CA-O 3.34Å; R210-D305 HydrophobicContact CB-CB 3.88Å
211	Y	95.3	Very high	75.9	Confident	19 Å²	19	63.6 Å²	63.6	8%	0.075	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	145.2	-178.9	-62.6	-70.8	0	0	0	111.2	L192 K209 G239 L303 G304 D305	L192-Y211 WeakPolarHBondContact O-CE2 3.23Å; K209-Y211 VanDerWaalsContact CE-OH 3.26Å; K209-Y211 WeakPolarHBondContact CE-OH 3.27Å; K209-Y211 PolarHBondContact NZ-OH 3.38Å; Y211-G239 VanDerWaalsContact CD1-C 3.44Å; Y211-G239 WeakPolarHBondContact CD1-O 3.49Å; Y211-L303 HydrophobicContact CD2-CB 4.11Å; Y211-L303 HydrophobicContact CE2-CB 4.41Å; Y211-L303 PolarHBondContact N-O 2.87Å; Y211-G304 CarbonylContact O-C 3.56Å; Y211-G304 WeakPolarHBondContact O-CA 3.35Å; Y211-D305 PolarHBondContact O-N 3.19Å
212	P	97.8	Very high	78.5	Confident	12 Å²	12	57.2 Å²	57.2	8%	0.078	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	145.3	168.2	-23.4	34.7	0	0	0	111.4	L240 V241 Q308 K665	P212-L240 HydrophobicContact CB-CD2 3.98Å; P212-L240 HydrophobicContact CG-CD2 4.37Å; P212-V241 PolarHBondContact O-N 2.94Å; P212-Q308 HydrophobicContact CB-CB 4.13Å; P212-K665 HydrophobicContact CG-CB 4.44Å; P212-K665 HydrophobicContact CG-CG 3.9Å
213	I	98.7	Very high	80.9	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	128	-176.3	-55.6	171.6	0	0	0	108.8	V215 V241 I243 I295 A299 F302 Q308 I309 T310	I213-V215 HydrophobicContact CG2-CG2 3.92Å; I213-V241 CarbonylContact C-O 3.54Å; I213-V241 VanDerWaalsContact CA-O 3.31Å; I213-V241 WeakPolarHBondContact CA-O 3.29Å; I213-V241 HydrophobicContact CG1-CB 4.09Å; I213-V241 HydrophobicContact CG1-CG1 4.33Å; I213-V241 HydrophobicContact CG2-CG1 4.28Å; I213-I243 HydrophobicContact CG2-CD1 3.79Å; I213-I243 HydrophobicContact CG2-CG1 4.12Å; I213-I295 HydrophobicContact CD1-CG2 4.21Å; I213-I295 HydrophobicContact CG2-CG2 4.16Å; I213-A299 HydrophobicContact CD1-CB 3.85Å; I213-F302 HydrophobicContact CD1-CE2 4.06Å; I213-Q308 PolarHBondContact N-O 3.14Å; I213-I309 HydrophobicContact CB-CG1 4.07Å; I213-I309 HydrophobicContact CD1-CG1 3.97Å; I213-I309 HydrophobicContact CG1-CG1 4.5Å; I213-I309 CarbonylContact O-C 3.32Å; I213-I309 WeakPolarHBondContact O-CA 3.46Å; I213-T310 PolarHBondContact O-N 3.19Å
214	I	98.7	Very high	83.3	Confident	2 Å²	2	44 Å²	44	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	126.6	164.3	-68.9	-176.4	0	0	0	108.1	L240 V241 I243 T310 I312 I660 A664	I214-L240 HydrophobicContact CD1-CD1 3.79Å; I214-V241 PolarHBondContact N-O 3.34Å; I214-I243 PolarHBondContact O-N 3.3Å; I214-T310 CarbonylContact C-O 3.23Å; I214-T310 WeakPolarHBondContact CA-O 3.44Å; I214-I312 HydrophobicContact CD1-CD1 4.47Å; I214-I312 HydrophobicContact CG2-CD1 3.59Å; I214-I312 HydrophobicContact CG2-CG1 4.05Å; I214-I660 HydrophobicContact CD1-CG2 3.8Å; I214-A664 HydrophobicContact CD1-CB 3.97Å; I214-A664 HydrophobicContact CG1-CB 3.88Å
215	V	98.8	Very high	85.6	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	120.7	171.9	-173.6	0	0	0	0	108.2	I213 F217 I243 V245 L292 I295 I309 T310 V311 I312	I213-V215 HydrophobicContact CG2-CG2 3.92Å; V215-F217 HydrophobicContact CG1-CE1 4.48Å; V215-F217 HydrophobicContact CG1-CE2 3.99Å; V215-F217 HydrophobicContact CG1-CZ 3.92Å; V215-I243 CarbonylContact C-O 3.52Å; V215-I243 VanDerWaalsContact CA-O 3.29Å; V215-I243 WeakPolarHBondContact CA-O 3.5Å; V215-I243 HydrophobicContact CG2-CB 4.47Å; V215-V245 HydrophobicContact CG1-CG2 3.89Å; V215-L292 HydrophobicContact CB-CD2 4.41Å; V215-L292 HydrophobicContact CG1-CD2 4.21Å; V215-L292 HydrophobicContact CG2-CD2 4.24Å; V215-I295 HydrophobicContact CB-CD1 4.48Å; V215-I295 HydrophobicContact CG1-CD1 3.87Å; V215-I295 HydrophobicContact CG2-CD1 3.72Å; V215-I295 HydrophobicContact CG2-CG2 4.41Å; V215-I309 HydrophobicContact CG2-CG2 3.89Å; V215-T310 PolarHBondContact N-O 3.41Å; V215-V311 HydrophobicContact CB-CG2 4.4Å; V215-V311 CarbonylContact O-C 3.53Å; V215-V311 WeakPolarHBondContact O-CA 3.32Å; V215-I312 PolarHBondContact O-N 3.35Å
216	F	98.7	Very high	88	Confident	1 Å²	1	33.9 Å²	33.9	0%	0.004	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	126.2	-179	-178.6	-98	0	0	0	111.7	H218 V227 Y230 I243 T244 V245 I312 H314 L610 L613 F614	F216-H218 HydrophobicContact CE1-CB 4.02Å; F216-V227 HydrophobicContact CD1-CG1 4.07Å; F216-Y230 AromaticContact CE1-CD2 3.84Å; F216-Y230 HydrophobicContact CE1-CD2 3.84Å; F216-Y230 HydrophobicContact CE1-CE2 4.33Å; F216-Y230 HydrophobicContact CE1-CG 4.36Å; F216-I243 PolarHBondContact N-O 3.24Å; F216-T244 HydrophobicContact CB-CG2 4.43Å; F216-V245 PolarHBondContact O-N 3.13Å; F216-V245 VanDerWaalsContact O-N 3.13Å; F216-I312 WeakPolarHBondContact CA-O 3.21Å; F216-I312 HydrophobicContact CD2-CB 3.95Å; F216-I312 HydrophobicContact CD2-CG2 3.76Å; F216-I312 HydrophobicContact CE2-CG2 4.06Å; F216-H314 HydrophobicContact CE2-CB 4.22Å; F216-H314 HydrophobicContact CZ-CB 4.04Å; F216-L610 HydrophobicContact CE2-CD2 4Å; F216-L610 HydrophobicContact CZ-CD2 3.92Å; F216-L613 HydrophobicContact CD2-CD2 4.41Å; F216-L613 HydrophobicContact CE2-CD2 4.15Å; F216-F614 HydrophobicContact CB-CZ 4.29Å; F216-F614 HydrophobicContact CD1-CE2 4.32Å; F216-F614 AromaticContact CD1-CZ 3.76Å; F216-F614 HydrophobicContact CD1-CZ 3.76Å; F216-F614 HydrophobicContact CD2-CE2 4.22Å; F216-F614 AromaticContact CD2-CZ 3.93Å; F216-F614 HydrophobicContact CD2-CZ 3.93Å; F216-F614 HydrophobicContact CE1-CE2 4.1Å; F216-F614 HydrophobicContact CE1-CZ 4Å; F216-F614 HydrophobicContact CE2-CE2 4.02Å; F216-F614 HydrophobicContact CE2-CZ 4.18Å; F216-F614 HydrophobicContact CG-CE2 4.38Å; F216-F614 AromaticContact CG-CZ 3.72Å; F216-F614 HydrophobicContact CG-CZ 3.72Å; F216-F614 AromaticContact CZ-CE2 3.96Å; F216-F614 HydrophobicContact CZ-CE2 3.96Å; F216-F614 HydrophobicContact CZ-CZ 4.21Å
217	F	98.7	Very high	90.4	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	128.4	170.4	-63.2	-65.7	0	0	0	110	V215 V245 Y247 Q288 L292 V311 I312 G313 H314 A317 V321	V215-F217 HydrophobicContact CG1-CE1 4.48Å; V215-F217 HydrophobicContact CG1-CE2 3.99Å; V215-F217 HydrophobicContact CG1-CZ 3.92Å; F217-V245 HydrophobicContact CD1-CB 3.82Å; F217-V245 HydrophobicContact CD1-CG1 4.3Å; F217-V245 HydrophobicContact CE1-CB 3.5Å; F217-V245 HydrophobicContact CE1-CG1 3.7Å; F217-V245 HydrophobicContact CE1-CG2 3.93Å; F217-V245 HydrophobicContact CZ-CB 4.5Å; F217-V245 HydrophobicContact CZ-CG2 4.5Å; F217-Y247 HydrophobicContact CB-CE1 4.06Å; F217-Y247 AromaticContact CD1-CD1 3.93Å; F217-Y247 HydrophobicContact CD1-CD1 3.93Å; F217-Y247 HydrophobicContact CD1-CE1 4.14Å; F217-Q288 HydrophobicContact CD1-CG 3.81Å; F217-Q288 HydrophobicContact CD2-CG 4.49Å; F217-Q288 HydrophobicContact CE1-CB 3.93Å; F217-Q288 HydrophobicContact CE1-CG 3.57Å; F217-Q288 HydrophobicContact CE2-CB 4.22Å; F217-Q288 HydrophobicContact CE2-CG 4.29Å; F217-Q288 HydrophobicContact CG-CG 4.27Å; F217-Q288 HydrophobicContact CZ-CB 3.72Å; F217-Q288 HydrophobicContact CZ-CG 3.83Å; F217-L292 HydrophobicContact CZ-CG 4.3Å; F217-V311 HydrophobicContact CD2-CG1 3.64Å; F217-V311 HydrophobicContact CE2-CG1 3.64Å; F217-I312 PolarHBondContact N-O 3.45Å; F217-G313 WeakPolarHBondContact O-CA 3.43Å; F217-H314 PolarHBondContact O-N 2.95Å; F217-H314 VanDerWaalsContact O-N 3.08Å; F217-A317 HydrophobicContact CB-CB 3.77Å; F217-A317 VanDerWaalsContact O-CB 3.31Å; F217-A317 WeakPolarHBondContact O-CB 3.34Å; F217-V321 HydrophobicContact CD2-CG2 4.21Å
218	H	95.3	Very high	92.3	Very high	6 Å²	6	20.7 Å²	20.7	3%	0.028	10%	0.097	C	C	.	.			trans	-95.2	154.5	173.8	75.7	88.2	0	0	0	109.9	F216 G225 S226 V227 Y247 A317	F216-H218 HydrophobicContact CE1-CB 4.02Å; H218-G225 PolarHBondContact CE1-O 2.86Å; H218-G225 VanDerWaalsContact ND1-CA 3.34Å; H218-G225 WeakPolarHBondContact ND1-CA 3.23Å; H218-S226 PolarHBondContact CE1-N 3Å; H218-S226 VanDerWaalsContact CE1-N 3.34Å; H218-S226 PolarHBondContact ND1-N 3.05Å; H218-V227 HydrophobicContact CB-CG1 4.36Å; H218-V227 PolarHBondContact CD2-N 3.38Å; H218-Y247 WeakPolarHBondContact O-CE1 3.39Å; H218-Y247 VanDerWaalsContact O-CZ 3.32Å; H218-Y247 PolarHBondContact O-OH 2.79Å; H218-A317 VanDerWaalsContact C-CB 3.47Å
219	S	89.8	Confident	93.2	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.014	8%	0.075	C	C	.	.			trans	-176.7	153.8	147.1	-178.9	0	0	0	0	110.2	H222 Y247 H314 S316	S219-H222 VanDerWaalsContact OG-CA 3.23Å; S219-H222 WeakPolarHBondContact OG-CA 3.41Å; S219-H222 PolarHBondContact OG-N 3.27Å; S219-Y247 VanDerWaalsContact CB-OH 3.27Å; S219-Y247 WeakPolarHBondContact CB-OH 3.15Å; S219-H314 PolarHBondContact N-O 2.93Å; S219-H314 VanDerWaalsContact O-O 3.05Å; S219-S316 WeakPolarHBondContact CB-OG 3.25Å; S219-S316 PolarHBondContact O-N 2.93Å; S219-S316 PolarHBondContact O-OG 3.27Å; S219-S316 PolarHBondContact OG-OG 3.37Å
220	Y	93.3	Very high	93.6	Very high	12 Å²	12	11.2 Å²	11.2	5%	0.047	5%	0.051	C	C	.	.	B	Isolated β-bridge	trans	-121.9	124.2	164.1	-174.9	-90.5	0	0	0	109.3	S161 F165 H222 L223 I224 S316 H452 P606	S161-Y220 WeakPolarHBondContact CB-OH 3.44Å; F165-Y220 HydrophobicContact CB-CD1 4.1Å; F165-Y220 HydrophobicContact CB-CD2 4.22Å; F165-Y220 HydrophobicContact CB-CE1 4.14Å; F165-Y220 HydrophobicContact CB-CE2 4.29Å; F165-Y220 HydrophobicContact CB-CG 4.14Å; F165-Y220 HydrophobicContact CD1-CD2 4.37Å; F165-Y220 HydrophobicContact CD1-CG 4.04Å; F165-Y220 AromaticContact CD2-CD2 3.34Å; F165-Y220 HydrophobicContact CD2-CD2 3.34Å; F165-Y220 AromaticContact CD2-CE2 3.77Å; F165-Y220 HydrophobicContact CD2-CE2 3.77Å; F165-Y220 AromaticContact CD2-CG 3.85Å; F165-Y220 HydrophobicContact CD2-CG 3.85Å; F165-Y220 HydrophobicContact CE1-CG 4.41Å; F165-Y220 AromaticContact CE2-CD2 3.69Å; F165-Y220 HydrophobicContact CE2-CD2 3.69Å; F165-Y220 HydrophobicContact CE2-CE2 4.43Å; F165-Y220 HydrophobicContact CE2-CG 4.24Å; F165-Y220 HydrophobicContact CG-CD1 4.18Å; F165-Y220 AromaticContact CG-CD2 3.72Å; F165-Y220 HydrophobicContact CG-CD2 3.72Å; F165-Y220 HydrophobicContact CG-CE2 4.2Å; F165-Y220 AromaticContact CG-CG 3.73Å; F165-Y220 HydrophobicContact CG-CG 3.73Å; F165-Y220 HydrophobicContact CZ-CD2 4.33Å; F165-Y220 HydrophobicContact CZ-CG 4.49Å; Y220-H222 PolarHBondContact O-N 2.91Å; Y220-L223 PolarHBondContact O-N 3.02Å; Y220-I224 HydrophobicContact CD1-CD1 4.39Å; Y220-I224 HydrophobicContact CD1-CG1 4.23Å; Y220-I224 PolarHBondContact N-O 2.85Å; Y220-I224 PolarHBondContact O-N 3.39Å; Y220-S316 WeakPolarHBondContact CA-OG 3.43Å; Y220-S316 PolarHBondContact N-OG 2.92Å; Y220-H452 AromaticContact CZ-NE2 3.88Å; Y220-H452 PolarHBondContact OH-CE1 3.22Å; Y220-H452 PolarHBondContact OH-NE2 2.97Å; Y220-P606 HydrophobicContact CE2-CB 4.37Å; Y220-P606 HydrophobicContact CE2-CG 4.48Å
221	D	93.5	Very high	93.1	Very high	17 Å²	17	6.7 Å²	6.7	9%	0.091	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	27.2	-178	-78.8	-6.9	0	0	0	115.6	L223 S316 K411 H452	D221-L223 HydrophobicContact CB-CB 4.33Å; D221-L223 WeakPolarHBondContact O-CB 3.31Å; D221-L223 PolarHBondContact O-N 2.97Å; D221-S316 PolarHBondContact N-OG 2.94Å; D221-S316 VanDerWaalsContact N-OG 3.1Å; D221-K411 IonicContact OD1-NZ 2.87Å; D221-K411 PolarHBondContact OD1-NZ 3.37Å; D221-K411 IonicContact OD2-NZ 3.66Å; D221-K411 PolarHBondContact OD2-NZ 3.22Å; D221-H452 IonicContact OD1-CE1 3.29Å; D221-H452 IonicContact OD1-NE2 3.41Å; D221-H452 IonicContact OD2-CE1 3.49Å; D221-H452 PolarHBondContact OD2-CE1 3.43Å; D221-H452 VanDerWaalsContact OD2-CE1 3.27Å; D221-H452 IonicContact OD2-NE2 3.99Å
222	H	96.8	Very high	92.8	Very high	3 Å²	3	5.8 Å²	5.8	1%	0.014	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	12.1	-170.3	-65	97.3	0	0	0	113.2	S219 Y220 L249 G250 Y254 S316 D320 G352 W413 P415	S219-H222 VanDerWaalsContact OG-CA 3.23Å; S219-H222 WeakPolarHBondContact OG-CA 3.41Å; S219-H222 PolarHBondContact OG-N 3.27Å; Y220-H222 PolarHBondContact O-N 2.91Å; H222-L249 CarbonylContact O-C 3.16Å; H222-L249 WeakPolarHBondContact O-CB 3.2Å; H222-G250 PolarHBondContact O-N 3Å; H222-Y254 HydrophobicContact CB-CD2 4.14Å; H222-Y254 HydrophobicContact CB-CE2 3.96Å; H222-Y254 AromaticContact CD2-CE1 3.96Å; H222-Y254 AromaticContact CD2-CE2 3.77Å; H222-Y254 AromaticContact CD2-CZ 3.43Å; H222-Y254 VanDerWaalsContact CD2-CZ 3.43Å; H222-Y254 PolarHBondContact CD2-OH 2.91Å; H222-S316 WeakPolarHBondContact CE1-CB 3.16Å; H222-S316 VanDerWaalsContact CG-CB 3.48Å; H222-S316 PolarHBondContact N-OG 3Å; H222-S316 VanDerWaalsContact ND1-CB 3.28Å; H222-S316 WeakPolarHBondContact ND1-CB 3.4Å; H222-S316 PolarHBondContact NE2-O 2.85Å; H222-D320 IonicContact CD2-OD1 2.76Å; H222-D320 PolarHBondContact CD2-OD1 2.91Å; H222-D320 IonicContact CD2-OD2 2.93Å; H222-D320 IonicContact CE1-OD1 2.87Å; H222-D320 IonicContact NE2-OD1 3.3Å; H222-D320 PolarHBondContact NE2-OD1 3.17Å; H222-D320 IonicContact NE2-OD2 3.37Å; H222-G352 PolarHBondContact CE1-O 2.78Å; H222-G352 PolarHBondContact ND1-O 3.07Å; H222-W413 HydrophobicContact CB-CB 4.45Å; H222-W413 VanDerWaalsContact CB-O 3.3Å; H222-W413 WeakPolarHBondContact CB-O 3.38Å; H222-P415 WeakPolarHBondContact CE1-CD 3.49Å; H222-P415 WeakPolarHBondContact NE2-CD 3.33Å
223	L	94.7	Very high	92	Very high	7 Å²	7	6.1 Å²	6.1	4%	0.037	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-40.8	-164.3	-175.6	66.2	0	0	0	112.5	Q144 P145 Y162 Y220 D221 A398 A399	Q144-L223 VanDerWaalsContact CB-O 3.32Å; Q144-L223 WeakPolarHBondContact CB-O 3.38Å; P145-L223 HydrophobicContact CG-CD1 3.69Å; P145-L223 HydrophobicContact CG-CD2 3.96Å; P145-L223 HydrophobicContact CG-CG 3.71Å; Y162-L223 HydrophobicContact CD1-CD2 3.96Å; Y162-L223 HydrophobicContact CE1-CD2 4.36Å; Y162-L223 HydrophobicContact CG-CD2 4.3Å; Y220-L223 PolarHBondContact O-N 3.02Å; D221-L223 HydrophobicContact CB-CB 4.33Å; D221-L223 WeakPolarHBondContact O-CB 3.31Å; D221-L223 PolarHBondContact O-N 2.97Å; L223-A398 HydrophobicContact CD1-CB 4.46Å; L223-A399 HydrophobicContact CD2-CB 4.42Å
224	I	93.2	Very high	91.3	Very high	3 Å²	3	6.8 Å²	6.8	2%	0.015	4%	0.035	C	C	.	.	B	Isolated β-bridge	trans	-132.6	166.2	-176.2	65.7	158.1	0	0	0	113.7	Q144 P145 Y162 F165 Q166 Y220	Q144-I224 HydrophobicContact CB-CG2 4.35Å; Q144-I224 VanDerWaalsContact OE1-CA 3.23Å; Q144-I224 VanDerWaalsContact OE1-CB 3.31Å; P145-I224 HydrophobicContact CG-CG2 4.36Å; Y162-I224 HydrophobicContact CD2-CD1 4.45Å; Y162-I224 HydrophobicContact CD2-CG2 4.06Å; Y162-I224 HydrophobicContact CG-CG2 4.41Å; Y162-I224 WeakPolarHBondContact O-CD1 3.31Å; F165-I224 HydrophobicContact CB-CD1 4.36Å; F165-I224 HydrophobicContact CD1-CD1 3.68Å; F165-I224 HydrophobicContact CD1-CG1 4.45Å; F165-I224 HydrophobicContact CE1-CD1 4.49Å; F165-I224 HydrophobicContact CG-CD1 4.43Å; Q166-I224 HydrophobicContact CB-CD1 4.26Å; Y220-I224 HydrophobicContact CD1-CD1 4.39Å; Y220-I224 HydrophobicContact CD1-CG1 4.23Å; Y220-I224 PolarHBondContact N-O 2.85Å; Y220-I224 PolarHBondContact O-N 3.39Å
225	G	91.8	Very high	90.9	Very high	8 Å²	8	6.8 Å²	6.8	8%	0.082	4%	0.035	C	C	.	.			trans	127	172.2	171.2	0	0	0	0	0	113.1	Q144 H218	Q144-G225 PolarHBondContact NE2-O 3.29Å; H218-G225 PolarHBondContact CE1-O 2.86Å; H218-G225 VanDerWaalsContact ND1-CA 3.34Å; H218-G225 WeakPolarHBondContact ND1-CA 3.23Å
226	S	92.1	Very high	90.4	Very high	1 Å²	1	6.8 Å²	6.8	1%	0.007	4%	0.035	C	C	.	.			trans	-155.5	149.3	167	-176.9	0	0	0	0	110.2	H218 N228 Y229 N246	H218-S226 PolarHBondContact CE1-N 3Å; H218-S226 VanDerWaalsContact CE1-N 3.34Å; H218-S226 PolarHBondContact ND1-N 3.05Å; S226-N228 PolarHBondContact O-N 3.27Å; S226-N228 PolarHBondContact OG-N 3.19Å; S226-N228 VanDerWaalsContact OG-N 3.17Å; S226-Y229 VanDerWaalsContact O-CD2 3.24Å; S226-Y229 WeakPolarHBondContact O-CD2 3.23Å; S226-N246 PolarHBondContact OG-OD1 2.94Å
227	V	91.7	Very high	89.8	Confident	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-74.2	-13.6	169.3	-67.1	0	0	0	0	114.5	F216 H218 Y229 Y230 V245 N246	F216-V227 HydrophobicContact CD1-CG1 4.07Å; H218-V227 HydrophobicContact CB-CG1 4.36Å; H218-V227 PolarHBondContact CD2-N 3.38Å; V227-Y229 PolarHBondContact O-N 2.91Å; V227-Y230 PolarHBondContact O-N 2.89Å; V227-V245 WeakPolarHBondContact CG1-O 3.17Å; V227-N246 HydrophobicContact CG2-CB 4.45Å; V227-N246 WeakPolarHBondContact CG2-OD1 3.4Å; V227-N246 PolarHBondContact N-OD1 3.04Å
228	N	86.8	Confident	89.3	Confident	10 Å²	10	13.8 Å²	13.8	5%	0.053	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-60.7	-15.8	178.9	-64.4	-7.1	0	0	0	111.8	F138 R139 S226 Y230 N246	F138-N228 HydrophobicContact CD1-CB 4.33Å; F138-N228 HydrophobicContact CG-CB 4.34Å; R139-N228 PolarHBondContact O-ND2 3.12Å; S226-N228 PolarHBondContact O-N 3.27Å; S226-N228 PolarHBondContact OG-N 3.19Å; S226-N228 VanDerWaalsContact OG-N 3.17Å; N228-Y230 VanDerWaalsContact C-N 3.31Å; N228-N246 PolarHBondContact OD1-ND2 3.14Å
229	Y	84	Confident	88.9	Confident	22 Å²	22	14.1 Å²	14.1	9%	0.086	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-81.1	-9	178	-47.8	-28.6	0	0	0	113.7	P172 S226 V227	P172-Y229 HydrophobicContact CB-CD1 4.43Å; P172-Y229 HydrophobicContact CB-CE1 4.04Å; P172-Y229 VanDerWaalsContact CD-CE1 3.41Å; P172-Y229 HydrophobicContact CG-CD1 4.38Å; P172-Y229 HydrophobicContact CG-CE1 3.59Å; S226-Y229 VanDerWaalsContact O-CD2 3.24Å; S226-Y229 WeakPolarHBondContact O-CD2 3.23Å; V227-Y229 PolarHBondContact O-N 2.91Å
230	Y	86.1	Confident	89.2	Confident	9 Å²	9	14 Å²	14	4%	0.035	7%	0.074	C	C	.	.			trans	-131.7	75.7	-167.4	-53.8	-67.4	0	0	0	111.6	F170 F216 V227 N228 G232 L610 F614	F170-Y230 HydrophobicContact CD2-CE1 4.42Å; F216-Y230 AromaticContact CE1-CD2 3.84Å; F216-Y230 HydrophobicContact CE1-CD2 3.84Å; F216-Y230 HydrophobicContact CE1-CE2 4.33Å; F216-Y230 HydrophobicContact CE1-CG 4.36Å; V227-Y230 PolarHBondContact O-N 2.89Å; N228-Y230 VanDerWaalsContact C-N 3.31Å; Y230-G232 PolarHBondContact O-N 3.03Å; Y230-L610 HydrophobicContact CD1-CB 4.34Å; Y230-L610 HydrophobicContact CE1-CB 3.85Å; Y230-L610 HydrophobicContact CE1-CD1 3.7Å; Y230-L610 HydrophobicContact CE1-CG 4.41Å; Y230-L610 HydrophobicContact CE2-CD1 4.32Å; Y230-L610 WeakPolarHBondContact OH-CD1 3.18Å; Y230-F614 VanDerWaalsContact CB-CZ 3.49Å; Y230-F614 AromaticContact CD1-CD2 3.83Å; Y230-F614 HydrophobicContact CD1-CD2 3.83Å; Y230-F614 AromaticContact CD1-CE2 3.95Å; Y230-F614 HydrophobicContact CD1-CE2 3.95Å; Y230-F614 HydrophobicContact CG-CD2 4.08Å; Y230-F614 AromaticContact CG-CE2 3.81Å; Y230-F614 HydrophobicContact CG-CE2 3.81Å; Y230-F614 HydrophobicContact CG-CZ 4.21Å; Y230-F614 WeakPolarHBondContact O-CE1 3.47Å
231	P	80.2	Confident	89.4	Confident	6 Å²	6	13.5 Å²	13.5	4%	0.039	7%	0.072	C	C	.	.			trans	-68.8	127.1	-178.3	30.6	-37	0	0	0	110.9	Y190 H233 L636 L638	Y190-P231 HydrophobicContact CE1-CB 4.47Å; P231-H233 VanDerWaalsContact C-N 3.28Å; P231-H233 WeakPolarHBondContact CB-ND1 3.34Å; P231-H233 PolarHBondContact O-N 2.73Å; P231-H233 PolarHBondContact O-ND1 3.07Å; P231-L636 HydrophobicContact CG-CD2 4.42Å; P231-L638 HydrophobicContact CG-CD1 4Å
232	G	87.5	Confident	89.6	Confident	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	11.8	-171.3	0	0	0	0	0	116.4	Y230 V234 L235 A236	Y230-G232 PolarHBondContact O-N 3.03Å; G232-V234 PolarHBondContact O-N 2.85Å; G232-L235 PolarHBondContact O-N 3.33Å; G232-A236 WeakPolarHBondContact O-CB 3.44Å; G232-A236 PolarHBondContact O-N 2.87Å
233	H	82.1	Confident	89.7	Confident	19 Å²	19	12.6 Å²	12.6	9%	0.088	7%	0.067	C	C	.	.	H	α-helix	trans	-68	-36.7	-168.2	58.5	-79.4	0	0	0	114.5	L100 Y190 P231 A236 Q237 L619	L100-H233 HydrophobicContact CD1-CB 4.33Å; L100-H233 HydrophobicContact CD2-CB 3.56Å; Y190-H233 HydrophobicContact CD1-CB 4.28Å; P231-H233 VanDerWaalsContact C-N 3.28Å; P231-H233 WeakPolarHBondContact CB-ND1 3.34Å; P231-H233 PolarHBondContact O-N 2.73Å; P231-H233 PolarHBondContact O-ND1 3.07Å; H233-A236 PolarHBondContact O-N 3.06Å; H233-Q237 WeakPolarHBondContact O-CG 3.47Å; H233-Q237 PolarHBondContact O-N 2.87Å; H233-Q237 PolarHBondContact O-NE2 3.43Å; H233-L619 WeakPolarHBondContact NE2-CD1 3.33Å; H233-L619 VanDerWaalsContact NE2-CD2 3.29Å; H233-L619 WeakPolarHBondContact NE2-CD2 3.31Å
234	V	84.5	Confident	89.8	Confident	14 Å²	14	12.2 Å²	12.2	9%	0.085	7%	0.065	C	C	.	.	H	α-helix	trans	-67.7	-44.9	178.1	-176.5	0	0	0	0	110.7	G232 A236 Q237 F614 L618 L619 L657	G232-V234 PolarHBondContact O-N 2.85Å; V234-A236 VanDerWaalsContact C-N 3.32Å; V234-A236 PolarHBondContact O-N 3.15Å; V234-Q237 PolarHBondContact O-N 3.03Å; V234-F614 WeakPolarHBondContact CB-O 3.49Å; V234-L618 HydrophobicContact CG1-CD1 4.01Å; V234-L619 HydrophobicContact CG2-CD1 4.3Å; V234-L619 HydrophobicContact CG2-CD2 3.71Å; V234-L619 HydrophobicContact CG2-CG 4.1Å; V234-L657 HydrophobicContact CG1-CD1 3.75Å; V234-L657 HydrophobicContact CG1-CD2 4.41Å
235	L	89	Confident	90.1	Very high	3 Å²	3	12.1 Å²	12.1	2%	0.016	7%	0.065	C	C	.	.	H	α-helix	trans	-61.4	-40.4	175	-81.1	167.3	0	0	0	111.5	G232 Q237 L238 L240 V242 F614 L657 I660	G232-L235 PolarHBondContact O-N 3.33Å; L235-Q237 VanDerWaalsContact C-N 3.28Å; L235-Q237 PolarHBondContact O-N 3.3Å; L235-L238 HydrophobicContact CD2-CD1 4.37Å; L235-L238 WeakPolarHBondContact O-CB 3.47Å; L235-L238 PolarHBondContact O-N 3.39Å; L235-L240 HydrophobicContact CD2-CD1 4.33Å; L235-V242 HydrophobicContact CB-CG2 3.47Å; L235-V242 VanDerWaalsContact CB-CG2 3.47Å; L235-V242 HydrophobicContact CD1-CG1 4.42Å; L235-F614 HydrophobicContact CD1-CD1 4.2Å; L235-F614 HydrophobicContact CD1-CE1 4.36Å; L235-L657 HydrophobicContact CD2-CD2 3.45Å; L235-L657 VanDerWaalsContact CD2-CD2 3.45Å; L235-L657 HydrophobicContact CG-CD2 3.77Å; L235-I660 HydrophobicContact CD2-CG2 4.42Å
236	A	89.3	Confident	90.3	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-61.5	-35.7	179.6	0	0	0	0	0	113	L100 G232 H233 V234 L238 G239 L240 V242	L100-A236 HydrophobicContact CD1-CB 3.85Å; G232-A236 WeakPolarHBondContact O-CB 3.44Å; G232-A236 PolarHBondContact O-N 2.87Å; H233-A236 PolarHBondContact O-N 3.06Å; V234-A236 VanDerWaalsContact C-N 3.32Å; V234-A236 PolarHBondContact O-N 3.15Å; A236-L238 PolarHBondContact O-N 3.16Å; A236-L238 VanDerWaalsContact O-N 3.16Å; A236-G239 PolarHBondContact O-N 3.04Å; A236-G239 VanDerWaalsContact O-N 3.11Å; A236-L240 WeakPolarHBondContact CA-O 3.43Å; A236-L240 PolarHBondContact O-N 2.62Å; A236-V242 HydrophobicContact CB-CG2 4.17Å
237	Q	85.8	Confident	90.6	Very high	85 Å²	85	11.7 Å²	11.7	40%	0.397	6%	0.061	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-15.3	175.4	-71.7	175.1	68.9	0	0	113.6	L86 H233 V234 L235 G239	L86-Q237 HydrophobicContact CD1-CG 3.98Å; H233-Q237 WeakPolarHBondContact O-CG 3.47Å; H233-Q237 PolarHBondContact O-N 2.87Å; H233-Q237 PolarHBondContact O-NE2 3.43Å; V234-Q237 PolarHBondContact O-N 3.03Å; L235-Q237 VanDerWaalsContact C-N 3.28Å; L235-Q237 PolarHBondContact O-N 3.3Å; Q237-G239 PolarHBondContact O-N 3.43Å
238	L	87.3	Confident	91	Very high	62 Å²	62	12 Å²	12	33%	0.325	6%	0.062	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	13.6	174.1	-55.8	173.9	0	0	0	112.9	L235 A236 L240 L657 K665	L235-L238 HydrophobicContact CD2-CD1 4.37Å; L235-L238 WeakPolarHBondContact O-CB 3.47Å; L235-L238 PolarHBondContact O-N 3.39Å; A236-L238 PolarHBondContact O-N 3.16Å; A236-L238 VanDerWaalsContact O-N 3.16Å; L238-L240 HydrophobicContact CB-CD1 4.35Å; L238-L657 HydrophobicContact CD1-CB 3.88Å; L238-L657 HydrophobicContact CD1-CD2 4.08Å; L238-L657 HydrophobicContact CD1-CG 4.43Å; L238-K665 VanDerWaalsContact O-CE 3.27Å; L238-K665 WeakPolarHBondContact O-CE 2.8Å; L238-K665 PolarHBondContact O-NZ 3.3Å
239	G	88.6	Confident	91.5	Very high	13 Å²	13	11.5 Å²	11.5	13%	0.134	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	47.7	-175.9	0	0	0	0	0	111.4	Y211 A236 Q237	Y211-G239 VanDerWaalsContact CD1-C 3.44Å; Y211-G239 WeakPolarHBondContact CD1-O 3.49Å; A236-G239 PolarHBondContact O-N 3.04Å; A236-G239 VanDerWaalsContact O-N 3.11Å; Q237-G239 PolarHBondContact O-N 3.43Å
240	L	94.2	Very high	92.1	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.005	6%	0.056	C	C	.	.			trans	-128.1	149.6	177.4	-61.9	170.6	0	0	0	109.1	P212 I214 L235 A236 L238 V242 A664 K665	P212-L240 HydrophobicContact CB-CD2 3.98Å; P212-L240 HydrophobicContact CG-CD2 4.37Å; I214-L240 HydrophobicContact CD1-CD1 3.79Å; L235-L240 HydrophobicContact CD2-CD1 4.33Å; A236-L240 WeakPolarHBondContact CA-O 3.43Å; A236-L240 PolarHBondContact O-N 2.62Å; L238-L240 HydrophobicContact CB-CD1 4.35Å; L240-V242 HydrophobicContact CB-CG2 4.23Å; L240-A664 HydrophobicContact CD2-CB 4.09Å; L240-K665 HydrophobicContact CD2-CG 4.3Å
241	V	97.8	Very high	92.6	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	122.3	159.4	170.3	0	0	0	0	107	I189 Y190 N191 P212 I213 I214 I243 F302	I189-V241 HydrophobicContact CG2-CG1 4.17Å; Y190-V241 WeakPolarHBondContact O-CA 3.17Å; N191-V241 HydrophobicContact CB-CG2 3.85Å; P212-V241 PolarHBondContact O-N 2.94Å; I213-V241 CarbonylContact C-O 3.54Å; I213-V241 VanDerWaalsContact CA-O 3.31Å; I213-V241 WeakPolarHBondContact CA-O 3.29Å; I213-V241 HydrophobicContact CG1-CB 4.09Å; I213-V241 HydrophobicContact CG1-CG1 4.33Å; I213-V241 HydrophobicContact CG2-CG1 4.28Å; I214-V241 PolarHBondContact N-O 3.34Å; V241-I243 HydrophobicContact CG1-CD1 4.02Å; V241-I243 HydrophobicContact CG1-CG1 3.83Å; V241-F302 HydrophobicContact CB-CD2 4.49Å; V241-F302 HydrophobicContact CG1-CD2 3.59Å; V241-F302 HydrophobicContact CG1-CE2 3.74Å; V241-F302 HydrophobicContact CG2-CD2 4.2Å; V241-F302 WeakPolarHBondContact CG2-O 3.31Å
242	V	98.2	Very high	93.5	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.006	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	123	-179.7	-173.5	0	0	0	0	108.3	Y190 L235 A236 L240 T244	Y190-V242 WeakPolarHBondContact CD2-O 3.28Å; Y190-V242 PolarHBondContact N-O 3.02Å; Y190-V242 PolarHBondContact O-N 2.98Å; L235-V242 HydrophobicContact CB-CG2 3.47Å; L235-V242 VanDerWaalsContact CB-CG2 3.47Å; L235-V242 HydrophobicContact CD1-CG1 4.42Å; A236-V242 HydrophobicContact CB-CG2 4.17Å; L240-V242 HydrophobicContact CB-CG2 4.23Å; V242-T244 HydrophobicContact CG1-CG2 4.48Å
243	I	98.5	Very high	94	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	126.3	-178.9	-52.1	-176.6	0	0	0	108.4	L187 N188 I189 I213 I214 V215 F216 V241 V245 I295 F302	L187-I243 HydrophobicContact CB-CG2 4.07Å; L187-I243 HydrophobicContact CD1-CG2 4.13Å; L187-I243 HydrophobicContact CD2-CG2 4.33Å; L187-I243 HydrophobicContact CG-CG2 4.42Å; N188-I243 VanDerWaalsContact O-CA 3.23Å; N188-I243 WeakPolarHBondContact O-CA 3.2Å; I189-I243 HydrophobicContact CG1-CD1 4.43Å; I189-I243 HydrophobicContact CG1-CG1 4.25Å; I189-I243 HydrophobicContact CG1-CG2 4.44Å; I189-I243 HydrophobicContact CG2-CG1 4.47Å; I213-I243 HydrophobicContact CG2-CD1 3.79Å; I213-I243 HydrophobicContact CG2-CG1 4.12Å; I214-I243 PolarHBondContact O-N 3.3Å; V215-I243 CarbonylContact C-O 3.52Å; V215-I243 VanDerWaalsContact CA-O 3.29Å; V215-I243 WeakPolarHBondContact CA-O 3.5Å; V215-I243 HydrophobicContact CG2-CB 4.47Å; F216-I243 PolarHBondContact N-O 3.24Å; V241-I243 HydrophobicContact CG1-CD1 4.02Å; V241-I243 HydrophobicContact CG1-CG1 3.83Å; I243-V245 HydrophobicContact CG2-CG2 4.05Å; I243-I295 HydrophobicContact CB-CD1 4.28Å; I243-I295 HydrophobicContact CD1-CB 4.31Å; I243-I295 HydrophobicContact CD1-CD1 3.99Å; I243-I295 HydrophobicContact CD1-CG1 3.72Å; I243-I295 HydrophobicContact CD1-CG2 3.7Å; I243-I295 HydrophobicContact CG2-CD1 3.74Å; I243-I295 HydrophobicContact CG2-CG1 4.22Å; I243-F302 HydrophobicContact CD1-CE2 3.79Å; I243-F302 HydrophobicContact CD1-CZ 3.74Å
244	T	97.6	Very high	94.7	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	132.3	177.9	70.8	0	0	0	0	108.8	L187 N188 Y190 F216 V242 F614	L187-T244 CarbonylContact C-O 3.58Å; L187-T244 VanDerWaalsContact CA-O 3.28Å; L187-T244 WeakPolarHBondContact CA-O 3.47Å; N188-T244 WeakPolarHBondContact CB-OG1 3.2Å; N188-T244 PolarHBondContact N-O 2.93Å; N188-T244 PolarHBondContact ND2-OG1 3.45Å; N188-T244 VanDerWaalsContact ND2-OG1 3.08Å; N188-T244 PolarHBondContact O-N 3.36Å; Y190-T244 HydrophobicContact CE2-CG2 4.42Å; F216-T244 HydrophobicContact CB-CG2 4.43Å; V242-T244 HydrophobicContact CG1-CG2 4.48Å; T244-F614 HydrophobicContact CG2-CE1 4.41Å
245	V	98.4	Very high	95.3	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	123.3	-168.1	-173.7	0	0	0	0	112	Y108 L187 V215 F216 F217 V227 I243 A291 I295	Y108-V245 HydrophobicContact CD1-CG1 4.22Å; Y108-V245 HydrophobicContact CE1-CG1 3.52Å; L187-V245 HydrophobicContact CB-CB 4.46Å; L187-V245 HydrophobicContact CB-CG1 4.48Å; L187-V245 HydrophobicContact CB-CG2 3.95Å; V215-V245 HydrophobicContact CG1-CG2 3.89Å; F216-V245 PolarHBondContact O-N 3.13Å; F216-V245 VanDerWaalsContact O-N 3.13Å; F217-V245 HydrophobicContact CD1-CB 3.82Å; F217-V245 HydrophobicContact CD1-CG1 4.3Å; F217-V245 HydrophobicContact CE1-CB 3.5Å; F217-V245 HydrophobicContact CE1-CG1 3.7Å; F217-V245 HydrophobicContact CE1-CG2 3.93Å; F217-V245 HydrophobicContact CZ-CB 4.5Å; F217-V245 HydrophobicContact CZ-CG2 4.5Å; V227-V245 WeakPolarHBondContact CG1-O 3.17Å; I243-V245 HydrophobicContact CG2-CG2 4.05Å; V245-A291 HydrophobicContact CG1-CB 3.59Å; V245-A291 HydrophobicContact CG2-CB 4.28Å; V245-I295 HydrophobicContact CG2-CD1 4.42Å
246	N	97.4	Very high	95.5	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.005	5%	0.047	C	C	.	.			trans	-82.3	140.9	165.6	-75.5	-42.7	0	0	0	109.2	Y108 C184 Y186 S226 V227 N228	Y108-N246 WeakPolarHBondContact CE1-O 3.41Å; Y108-N246 PolarHBondContact OH-O 3.17Å; C184-N246 VanDerWaalsContact O-CB 3.31Å; C184-N246 WeakPolarHBondContact O-CB 3.47Å; Y186-N246 PolarHBondContact O-N 3.37Å; S226-N246 PolarHBondContact OG-OD1 2.94Å; V227-N246 HydrophobicContact CG2-CB 4.45Å; V227-N246 WeakPolarHBondContact CG2-OD1 3.4Å; V227-N246 PolarHBondContact N-OD1 3.04Å; N228-N246 PolarHBondContact OD1-ND2 3.14Å
247	Y	98.6	Very high	95.5	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.047	C	C	.	.			trans	-144.8	162.1	177.7	64.9	-85.7	0	0	0	110.6	C142 F217 H218 S219 L249 Y254 Q288 A317 D320	C142-Y247 PolarHBondContact SG-O 3.42Å; F217-Y247 HydrophobicContact CB-CE1 4.06Å; F217-Y247 AromaticContact CD1-CD1 3.93Å; F217-Y247 HydrophobicContact CD1-CD1 3.93Å; F217-Y247 HydrophobicContact CD1-CE1 4.14Å; H218-Y247 WeakPolarHBondContact O-CE1 3.39Å; H218-Y247 VanDerWaalsContact O-CZ 3.32Å; H218-Y247 PolarHBondContact O-OH 2.79Å; S219-Y247 VanDerWaalsContact CB-OH 3.27Å; S219-Y247 WeakPolarHBondContact CB-OH 3.15Å; Y247-L249 HydrophobicContact CD2-CD2 4.4Å; Y247-L249 HydrophobicContact CE2-CD2 3.89Å; Y247-L249 PolarHBondContact O-N 3.14Å; Y247-Y254 WeakPolarHBondContact CE2-OH 3.29Å; Y247-Q288 HydrophobicContact CD1-CG 4.23Å; Y247-Q288 HydrophobicContact CD2-CG 4.29Å; Y247-Q288 HydrophobicContact CG-CG 4.05Å; Y247-Q288 PolarHBondContact OH-NE2 2.94Å; Y247-A317 VanDerWaalsContact OH-CB 3.27Å; Y247-A317 WeakPolarHBondContact OH-CB 3.42Å; Y247-D320 PolarHBondContact OH-OD2 3.27Å
248	R	98.4	Very high	94.9	Very high	5 Å²	5	5.6 Å²	5.6	2%	0.019	3%	0.032	C	C	.	.			trans	-63.6	137.6	-174.7	-75.6	173.3	-74.6	177.5	-7.3	112.7	P112 R121 L185 F252 D287	P112-R248 HydrophobicContact CG-CG 4.1Å; R121-R248 VanDerWaalsContact O-CZ 3.27Å; R121-R248 PolarHBondContact O-NH1 2.86Å; R121-R248 PolarHBondContact O-NH2 3.48Å; L185-R248 HydrophobicContact CD2-CG 4.13Å; R248-F252 HydrophobicContact CB-CB 4.19Å; R248-F252 HydrophobicContact CG-CB 4.24Å; R248-D287 VanDerWaalsContact CB-OD2 3.23Å; R248-D287 WeakPolarHBondContact CB-OD2 3.23Å; R248-D287 WeakPolarHBondContact CG-OD2 3.34Å; R248-D287 IonicContact CZ-OD1 3.5Å; R248-D287 IonicContact CZ-OD2 2.68Å; R248-D287 PolarHBondContact N-OD2 2.98Å; R248-D287 IonicContact NE-OD1 3.76Å; R248-D287 PolarHBondContact NE-OD1 3.16Å; R248-D287 IonicContact NE-OD2 2.68Å; R248-D287 PolarHBondContact NE-OD2 3.13Å; R248-D287 IonicContact NH2-OD1 2.68Å; R248-D287 PolarHBondContact NH2-OD1 3Å; R248-D287 IonicContact NH2-OD2 2.92Å
249	L	97.6	Very high	93.6	Very high	1 Å²	1	6.9 Å²	6.9	1%	0.005	4%	0.035	C	C	.	.			trans	-113.6	169.8	178.7	-58	176.4	0	0	0	111.4	Q144 H222 Y247 F252 G253	Q144-L249 HydrophobicContact CB-CD1 4.49Å; H222-L249 CarbonylContact O-C 3.16Å; H222-L249 WeakPolarHBondContact O-CB 3.2Å; Y247-L249 HydrophobicContact CD2-CD2 4.4Å; Y247-L249 HydrophobicContact CE2-CD2 3.89Å; Y247-L249 PolarHBondContact O-N 3.14Å; L249-F252 WeakPolarHBondContact O-CB 3.24Å; L249-F252 PolarHBondContact O-N 3.37Å; L249-F252 VanDerWaalsContact O-N 3.17Å; L249-G253 PolarHBondContact O-N 3.37Å; L249-G253 VanDerWaalsContact O-N 3.14Å
250	G	97.2	Very high	91.9	Very high	2 Å²	2	10.8 Å²	10.8	2%	0.021	6%	0.058	C	C	.	.	H	α-helix	trans	54	-140.6	173.8	0	0	0	0	0	111.6	H222 F252 G253 Y254	H222-G250 PolarHBondContact O-N 3Å; G250-F252 PolarHBondContact O-N 3.28Å; G250-G253 PolarHBondContact O-N 3.42Å; G250-Y254 WeakPolarHBondContact O-CD2 3.32Å; G250-Y254 PolarHBondContact O-N 3.02Å
251	P	97.4	Very high	89.9	Confident	1 Å²	1	17.4 Å²	17.4	1%	0.006	8%	0.084	C	C	.	.	H	α-helix	trans	-63.3	-26.9	177.9	25.1	-35.4	0	0	0	113.6	F120 G253 L255 L368 I394 A398 W413	F120-P251 WeakPolarHBondContact CE1-O 3.45Å; P251-G253 VanDerWaalsContact C-N 3.26Å; P251-G253 PolarHBondContact O-N 2.95Å; P251-L255 HydrophobicContact CB-CB 4.01Å; P251-L255 HydrophobicContact CB-CD1 3.98Å; P251-L255 WeakPolarHBondContact O-CB 3.49Å; P251-L255 PolarHBondContact O-N 3.39Å; P251-L368 HydrophobicContact CB-CD2 3.68Å; P251-L368 HydrophobicContact CG-CD2 4.02Å; P251-I394 HydrophobicContact CB-CG2 4.07Å; P251-I394 HydrophobicContact CG-CG2 3.28Å; P251-A398 VanDerWaalsContact CD-CB 3.47Å; P251-A398 HydrophobicContact CG-CB 3.8Å; P251-W413 HydrophobicContact CB-CD2 4.48Å; P251-W413 HydrophobicContact CB-CE3 3.95Å; P251-W413 HydrophobicContact CB-CH2 3.96Å; P251-W413 HydrophobicContact CB-CZ2 4.46Å; P251-W413 HydrophobicContact CB-CZ3 3.66Å
252	F	98.2	Very high	87.6	Confident	7 Å²	7	20.2 Å²	20.2	3%	0.031	10%	0.104	C	C	.	.	H	α-helix	trans	-65.6	-34.6	177.6	-59.7	-78.5	0	0	0	112	R119 F120 E182 R248 L249 G250 I394 S395	R119-F252 HydrophobicContact CG-CD1 4.15Å; R119-F252 HydrophobicContact CG-CE1 4.33Å; F120-F252 HydrophobicContact CE1-CD1 4.28Å; E182-F252 HydrophobicContact CG-CD1 4.07Å; E182-F252 HydrophobicContact CG-CE1 3.89Å; E182-F252 HydrophobicContact CG-CZ 4.45Å; E182-F252 WeakPolarHBondContact OE2-CE1 3.44Å; R248-F252 HydrophobicContact CB-CB 4.19Å; R248-F252 HydrophobicContact CG-CB 4.24Å; L249-F252 WeakPolarHBondContact O-CB 3.24Å; L249-F252 PolarHBondContact O-N 3.37Å; L249-F252 VanDerWaalsContact O-N 3.17Å; G250-F252 PolarHBondContact O-N 3.28Å; F252-I394 HydrophobicContact CE1-CD1 4.22Å; F252-I394 HydrophobicContact CE1-CG2 4.37Å; F252-I394 HydrophobicContact CE2-CB 4.3Å; F252-I394 HydrophobicContact CE2-CG2 3.79Å; F252-I394 HydrophobicContact CZ-CB 3.83Å; F252-I394 HydrophobicContact CZ-CD1 4.08Å; F252-I394 HydrophobicContact CZ-CG2 3.6Å; F252-S395 WeakPolarHBondContact CE2-OG 3.47Å
253	G	97.9	Very high	85	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-90	-32.1	177.5	0	0	0	0	0	113.8	L249 G250 P251 N282 Y283 G284	L249-G253 PolarHBondContact O-N 3.37Å; L249-G253 VanDerWaalsContact O-N 3.14Å; G250-G253 PolarHBondContact O-N 3.42Å; P251-G253 VanDerWaalsContact C-N 3.26Å; P251-G253 PolarHBondContact O-N 2.95Å; G253-N282 CarbonylContact O-C 3.57Å; G253-Y283 CarbonylContact O-C 3.43Å; G253-Y283 WeakPolarHBondContact O-CA 3.49Å; G253-Y283 WeakPolarHBondContact O-CB 3.17Å; G253-Y283 PolarHBondContact O-N 3Å; G253-G284 PolarHBondContact O-N 2.77Å
254	Y	96.9	Very high	82.4	Confident	5 Å²	5	35.1 Å²	35.1	2%	0.02	17%	0.173	C	C	.	.	H	α-helix	trans	-137.6	7.3	-161.2	-57	-85	0	0	0	115	H222 Y247 G250 A256 L285 D320 W413 P415	H222-Y254 HydrophobicContact CB-CD2 4.14Å; H222-Y254 HydrophobicContact CB-CE2 3.96Å; H222-Y254 AromaticContact CD2-CE1 3.96Å; H222-Y254 AromaticContact CD2-CE2 3.77Å; H222-Y254 AromaticContact CD2-CZ 3.43Å; H222-Y254 VanDerWaalsContact CD2-CZ 3.43Å; H222-Y254 PolarHBondContact CD2-OH 2.91Å; Y247-Y254 WeakPolarHBondContact CE2-OH 3.29Å; G250-Y254 WeakPolarHBondContact O-CD2 3.32Å; G250-Y254 PolarHBondContact O-N 3.02Å; Y254-A256 PolarHBondContact O-N 2.96Å; Y254-L285 HydrophobicContact CE1-CG 4.26Å; Y254-D320 PolarHBondContact OH-OD1 3.41Å; Y254-D320 PolarHBondContact OH-OD2 3.21Å; Y254-W413 WeakPolarHBondContact CB-O 3.45Å; Y254-W413 WeakPolarHBondContact CD2-O 3.16Å; Y254-P415 HydrophobicContact CD1-CG 4.19Å; Y254-P415 HydrophobicContact CE1-CG 3.82Å
255	L	96.1	Very high	79.7	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.005	20%	0.195	C	C	.	.			trans	-62.7	122.1	171.2	-173.8	139.5	0	0	0	109.5	F120 P251 I257 I279 G281 A365 L368 L386 W413	F120-L255 HydrophobicContact CD1-CB 4.36Å; F120-L255 HydrophobicContact CE1-CB 4.32Å; F120-L255 HydrophobicContact CE1-CD1 4.43Å; F120-L255 HydrophobicContact CZ-CD1 4.37Å; P251-L255 HydrophobicContact CB-CB 4.01Å; P251-L255 HydrophobicContact CB-CD1 3.98Å; P251-L255 WeakPolarHBondContact O-CB 3.49Å; P251-L255 PolarHBondContact O-N 3.39Å; L255-I257 HydrophobicContact CD2-CD1 4.07Å; L255-I257 HydrophobicContact CD2-CG1 4.23Å; L255-I279 HydrophobicContact CD2-CB 4.31Å; L255-I279 HydrophobicContact CD2-CD1 3.59Å; L255-I279 HydrophobicContact CD2-CG2 3.91Å; L255-I279 WeakPolarHBondContact O-CG2 3.43Å; L255-G281 WeakPolarHBondContact O-CA 3.26Å; L255-A365 HydrophobicContact CD1-CB 4.36Å; L255-A365 HydrophobicContact CG-CB 4.22Å; L255-L368 HydrophobicContact CD1-CD2 3.83Å; L255-L386 HydrophobicContact CD1-CD1 3.98Å; L255-W413 HydrophobicContact CB-CZ3 4.44Å
256	A	94	Very high	77.1	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.008	23%	0.232	C	C	.	.			trans	-132.7	137.4	177.7	0	0	0	0	0	110.7	Y254 I279 S361 E362 T416	Y254-A256 PolarHBondContact O-N 2.96Å; A256-I279 CarbonylContact C-O 3.58Å; A256-I279 WeakPolarHBondContact CA-O 3.4Å; A256-S361 CarbonylContact O-C 3.59Å; A256-S361 VanDerWaalsContact O-C 3.28Å; A256-E362 PolarHBondContact O-N 2.98Å; A256-T416 HydrophobicContact CB-CG2 3.65Å
257	I	89.8	Confident	74.4	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.005	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-126.9	85.2	175.2	-58.7	163	0	0	0	104.6	L255 I279 E362 A365 K379 M382 I383	L255-I257 HydrophobicContact CD2-CD1 4.07Å; L255-I257 HydrophobicContact CD2-CG1 4.23Å; I257-I279 CarbonylContact C-O 3.51Å; I257-I279 HydrophobicContact CB-CB 4.44Å; I257-I279 HydrophobicContact CD1-CB 4.46Å; I257-I279 HydrophobicContact CD1-CD1 4.04Å; I257-I279 HydrophobicContact CD1-CG1 4.32Å; I257-I279 PolarHBondContact N-O 2.86Å; I257-E362 HydrophobicContact CG2-CG 4.39Å; I257-A365 HydrophobicContact CG1-CB 3.95Å; I257-K379 HydrophobicContact CG2-CD 3.75Å; I257-K379 HydrophobicContact CG2-CG 4.02Å; I257-M382 HydrophobicContact CD1-CE 3.39Å; I257-M382 HydrophobicContact CG1-CE 3.91Å; I257-M382 HydrophobicContact CG2-CE 4.48Å; I257-I383 HydrophobicContact CD1-CD1 3.67Å; I257-I383 HydrophobicContact CD1-CG1 3.36Å
258	N	72.5	Confident	71.6	Confident	15 Å²	15	57.1 Å²	57.1	8%	0.08	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-71.9	156.8	-173.9	-79.5	2.5	0	0	0	111.8	L417	N258-L417 PolarHBondContact ND2-O 3.17Å; N258-L417 VanDerWaalsContact ND2-O 3.07Å
259	K	59.5	Low	68.9	Low	89 Å²	89	64.6 Å²	64.6	39%	0.387	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-92.5	135.6	155.3	-165.6	176.3	178.4	174	0	107.3	Y261 N265 I278	K259-Y261 PolarHBondContact O-N 2.88Å; K259-N265 PolarHBondContact NZ-ND2 3.16Å; K259-I278 HydrophobicContact CB-CD1 4.23Å; K259-I278 HydrophobicContact CD-CD1 4.44Å
260	P	54.4	Low	66.3	Low	96 Å²	96	69.9 Å²	69.9	62%	0.623	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-56.2	132.7	165.8	22.9	-30.1	0	0	0	108	S262	P260-S262 PolarHBondContact O-N 2.8Å
261	Y	52.1	Low	63.7	Low	140 Å²	140	77.3 Å²	77.3	55%	0.549	40%	0.4	S	S	.	.			trans	-55.3	97.3	179.3	-174.2	-95.1	0	0	0	109.8	K259 H263 Y419	K259-Y261 PolarHBondContact O-N 2.88Å; Y261-H263 AromaticContact CE1-CD2 3.49Å; Y261-H263 VanDerWaalsContact CE1-CD2 3.49Å; Y261-H263 WeakPolarHBondContact CE1-CD2 3.47Å; Y261-H263 AromaticContact CE1-CG 3.93Å; Y261-H263 AromaticContact CE1-NE2 3.81Å; Y261-H263 PolarHBondContact OH-CE1 3.4Å; Y261-H263 PolarHBondContact OH-NE2 3.2Å; Y261-Y419 HydrophobicContact CD2-CD1 4.2Å; Y261-Y419 HydrophobicContact CD2-CD2 4.3Å; Y261-Y419 AromaticContact CD2-CE1 3.87Å; Y261-Y419 HydrophobicContact CD2-CE1 3.87Å; Y261-Y419 AromaticContact CD2-CE2 3.99Å; Y261-Y419 HydrophobicContact CD2-CE2 3.99Å; Y261-Y419 HydrophobicContact CD2-CG 4.39Å; Y261-Y419 AromaticContact CD2-CZ 3.75Å; Y261-Y419 HydrophobicContact CE2-CD1 4.34Å; Y261-Y419 HydrophobicContact CE2-CE1 4.29Å; Y261-Y419 HydrophobicContact CG-CE1 4.47Å
262	S	49.1	Very low	61.3	Low	59 Å²	59	82.3 Å²	82.3	41%	0.413	43%	0.426	S	S	.	.			trans	-100	111.1	170	64.1	0	0	0	0	106.9	P260 E264	P260-S262 PolarHBondContact O-N 2.8Å; S262-E264 PolarHBondContact O-N 3.02Å
263	H	43.8	Very low	58.9	Low	146 Å²	146	89.2 Å²	89.2	68%	0.676	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-9	176.2	-123.8	-50.4	0	0	0	113.3	Y261	Y261-H263 AromaticContact CE1-CD2 3.49Å; Y261-H263 VanDerWaalsContact CE1-CD2 3.49Å; Y261-H263 WeakPolarHBondContact CE1-CD2 3.47Å; Y261-H263 AromaticContact CE1-CG 3.93Å; Y261-H263 AromaticContact CE1-NE2 3.81Å; Y261-H263 PolarHBondContact OH-CE1 3.4Å; Y261-H263 PolarHBondContact OH-NE2 3.2Å
264	E	42.8	Very low	56.5	Low	168 Å²	168	96 Å²	96	79%	0.785	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-5.4	-166.2	-74.5	-175.2	151	0	0	117.2	S262 I266	S262-E264 PolarHBondContact O-N 3.02Å; E264-I266 PolarHBondContact O-N 3.19Å
265	N	42.3	Very low	54.6	Low	86 Å²	86	103.3 Å²	103.3	46%	0.46	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	41	-178.8	-80.8	27.2	0	0	0	114.5	K259	K259-N265 PolarHBondContact NZ-ND2 3.16Å
266	I	44.2	Very low	53.1	Low	152 Å²	152	108.4 Å²	108.4	78%	0.779	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-15.7	160.9	-66.9	179.4	0	0	0	111.1	E264	E264-I266 PolarHBondContact O-N 3.19Å
267	N	39.1	Very low	52	Low	149 Å²	149	110.8 Å²	110.8	80%	0.797	57%	0.569	S	S	*	*	S	Bend	trans	-129.4	46.1	-173.9	-81.2	-10.3	0	0	0	115.1
268	T	40.6	Very low	51.6	Low	75 Å²	75	114.1 Å²	114.1	46%	0.46	59%	0.586	S	S	.	*			trans	-118.2	97.1	165	54	0	0	0	0	109.9	D270	T268-D270 PolarHBondContact O-N 3.16Å
269	N	42.2	Very low	52.4	Low	162 Å²	162	113.4 Å²	113.4	87%	0.866	58%	0.583	S	S	*	*			trans	-73.2	40.2	165	-74.8	-28.2	0	0	0	111.3	N271	N269-N271 PolarHBondContact O-N 2.8Å
270	D	42.7	Very low	53.9	Low	113 Å²	113	113 Å²	113	60%	0.604	58%	0.583	S	S	*	*			trans	-86.6	104.4	178.9	-80.9	-20.8	0	0	0	109.1	T268 N272	T268-D270 PolarHBondContact O-N 3.16Å; D270-N272 PolarHBondContact O-N 3.14Å
271	N	42.8	Very low	55.8	Low	157 Å²	157	108.5 Å²	108.5	84%	0.84	55%	0.553	S	S	*	*			trans	-65.8	48.7	170.4	-64.7	-49.3	0	0	0	112.3	N269	N269-N271 PolarHBondContact O-N 2.8Å
272	N	45.6	Very low	57.9	Low	106 Å²	106	101.8 Å²	101.8	57%	0.567	53%	0.527	S	S	*	.			trans	-85.6	114	168.6	-68.3	-29.3	0	0	0	107.3	D270 D274 E275	D270-N272 PolarHBondContact O-N 3.14Å; N272-D274 PolarHBondContact O-N 3.12Å; N272-E275 PolarHBondContact O-N 2.87Å
273	D	48.2	Very low	60.2	Low	152 Å²	152	99.9 Å²	99.9	81%	0.813	51%	0.511	S	S	*	.	S	Bend	trans	-58.7	1.7	173.7	-71.9	-40.1	0	0	0	114.2	E275 R380	D273-E275 VanDerWaalsContact C-N 3.34Å; D273-R380 PolarHBondContact O-NH1 2.94Å
274	D	48.6	Very low	62.8	Low	142 Å²	142	92.9 Å²	92.9	76%	0.759	48%	0.479	S	S	*	.			trans	-91.1	32.4	172.4	-65.9	-31.6	0	0	0	113	N272 E276	N272-D274 PolarHBondContact O-N 3.12Å; D274-E276 PolarHBondContact O-N 3.17Å
275	E	55.5	Low	65.5	Low	160 Å²	160	84.9 Å²	84.9	75%	0.748	44%	0.441	S	S	*	.			trans	-55	106.2	164.7	-74	-168.6	168.7	0	0	108.6	N272 D273 E277	N272-E275 PolarHBondContact O-N 2.87Å; D273-E275 VanDerWaalsContact C-N 3.34Å; E275-E277 PolarHBondContact O-N 3.19Å
276	E	64.7	Low	68.2	Low	107 Å²	107	82.2 Å²	82.2	50%	0.5	43%	0.425	S	S	.	.			trans	-54.5	113.2	173.7	-73.2	-169.4	156.7	0	0	107.7	D274 I278 K379	D274-E276 PolarHBondContact O-N 3.17Å; E276-I278 VanDerWaalsContact O-CG1 3.31Å; E276-I278 WeakPolarHBondContact O-CG1 3.49Å; E276-I278 PolarHBondContact O-N 2.97Å; E276-I278 VanDerWaalsContact O-N 3.15Å; E276-K379 WeakPolarHBondContact OE2-CD 3.43Å; E276-K379 WeakPolarHBondContact OE2-CE 3.29Å; E276-K379 IonicContact OE2-NZ 3.27Å; E276-K379 PolarHBondContact OE2-NZ 3.04Å
277	E	71.7	Confident	70.8	Confident	51 Å²	51	75 Å²	75	24%	0.238	39%	0.388	C	S	.	.			trans	-60.1	122.2	176.2	-175.7	172	-167.4	0	0	109.5	E275 I383 R387	E275-E277 PolarHBondContact O-N 3.19Å; E277-I383 HydrophobicContact CB-CD1 4.06Å; E277-I383 HydrophobicContact CG-CD1 4.2Å; E277-I383 WeakPolarHBondContact O-CD1 3.49Å; E277-R387 IonicContact OE1-CZ 3.38Å; E277-R387 IonicContact OE1-NH1 3.53Å; E277-R387 PolarHBondContact OE1-NH1 3.23Å; E277-R387 IonicContact OE1-NH2 2.68Å; E277-R387 PolarHBondContact OE1-NH2 3.3Å; E277-R387 IonicContact OE2-CZ 2.76Å; E277-R387 IonicContact OE2-NH1 3.29Å; E277-R387 PolarHBondContact OE2-NH1 3Å
278	I	81.4	Confident	73.6	Confident	71 Å²	71	67.9 Å²	67.9	36%	0.364	35%	0.35	S	S	.	.			trans	-102	132.3	-177.1	-56.6	179.7	0	0	0	109.7	K259 E276 M280	K259-I278 HydrophobicContact CB-CD1 4.23Å; K259-I278 HydrophobicContact CD-CD1 4.44Å; E276-I278 VanDerWaalsContact O-CG1 3.31Å; E276-I278 WeakPolarHBondContact O-CG1 3.49Å; E276-I278 PolarHBondContact O-N 2.97Å; E276-I278 VanDerWaalsContact O-N 3.15Å; I278-M280 HydrophobicContact CG2-CE 3.92Å; I278-M280 HydrophobicContact CG2-CG 4.5Å; I278-M280 HydrophobicContact CG2-SD 3.83Å
279	I	90.1	Very high	76.4	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.005	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-109.6	108.9	170.5	-58.8	-173.7	0	0	0	107.8	F120 L255 A256 I257 G281 Y283 I383	F120-I279 HydrophobicContact CB-CD1 3.98Å; F120-I279 HydrophobicContact CB-CG2 4.27Å; F120-I279 HydrophobicContact CD2-CD1 4.16Å; F120-I279 HydrophobicContact CG-CD1 4.27Å; L255-I279 HydrophobicContact CD2-CB 4.31Å; L255-I279 HydrophobicContact CD2-CD1 3.59Å; L255-I279 HydrophobicContact CD2-CG2 3.91Å; L255-I279 WeakPolarHBondContact O-CG2 3.43Å; A256-I279 CarbonylContact C-O 3.58Å; A256-I279 WeakPolarHBondContact CA-O 3.4Å; I257-I279 CarbonylContact C-O 3.51Å; I257-I279 HydrophobicContact CB-CB 4.44Å; I257-I279 HydrophobicContact CD1-CB 4.46Å; I257-I279 HydrophobicContact CD1-CD1 4.04Å; I257-I279 HydrophobicContact CD1-CG1 4.32Å; I257-I279 PolarHBondContact N-O 2.86Å; I279-G281 VanDerWaalsContact C-N 3.27Å; I279-G281 PolarHBondContact O-N 3.34Å; I279-Y283 HydrophobicContact CG2-CE2 3.52Å; I279-Y283 WeakPolarHBondContact CG2-OH 3.24Å; I279-I383 HydrophobicContact CD1-CB 4.36Å; I279-I383 HydrophobicContact CD1-CD1 3.98Å; I279-I383 HydrophobicContact CD1-CG1 3.69Å; I279-I383 HydrophobicContact CD1-CG2 3.84Å; I279-I383 HydrophobicContact CG1-CD1 3.88Å; I279-I383 HydrophobicContact CG1-CG1 4.18Å
280	M	90.7	Very high	79.1	Confident	81 Å²	81	57.1 Å²	57.1	40%	0.399	29%	0.289	S	S	.	.			trans	-72.8	-19.4	-177.3	-64	-62.8	-173.5	0	0	113.6	I278 Y283 D418	I278-M280 HydrophobicContact CG2-CE 3.92Å; I278-M280 HydrophobicContact CG2-CG 4.5Å; I278-M280 HydrophobicContact CG2-SD 3.83Å; M280-Y283 PolarHBondContact N-OH 2.99Å; M280-D418 HydrophobicContact CB-CB 4.41Å
281	G	93.3	Very high	81.7	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.26	C	S	.	.			trans	72.6	-157.5	-173.5	0	0	0	0	0	113.4	L255 I279 Y283	L255-G281 WeakPolarHBondContact O-CA 3.26Å; I279-G281 VanDerWaalsContact C-N 3.27Å; I279-G281 PolarHBondContact O-N 3.34Å; G281-Y283 PolarHBondContact O-N 2.82Å
282	N	96.4	Very high	84.4	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.22	C	C	.	.			trans	55	20.2	-178.3	-62.9	-20.9	0	0	0	115.1	G253 G284 L285 W286 P415 T416 D418	G253-N282 CarbonylContact O-C 3.57Å; N282-G284 PolarHBondContact O-N 2.91Å; N282-L285 HydrophobicContact CB-CB 4.45Å; N282-L285 HydrophobicContact CB-CD1 4.07Å; N282-L285 HydrophobicContact CB-CG 4.43Å; N282-L285 WeakPolarHBondContact O-CB 3.4Å; N282-L285 PolarHBondContact O-N 3.1Å; N282-W286 PolarHBondContact O-N 3.04Å; N282-W286 VanDerWaalsContact O-N 3.08Å; N282-P415 WeakPolarHBondContact OD1-CA 3.45Å; N282-T416 PolarHBondContact ND2-O 3.15Å; N282-T416 PolarHBondContact OD1-N 3.08Å; N282-D418 PolarHBondContact ND2-OD2 3.27Å
283	Y	98.2	Very high	86.9	Confident	18 Å²	18	41.5 Å²	41.5	7%	0.071	20%	0.204	C	C	.	.	H	α-helix	trans	-60.2	-31.9	178.5	-56.9	-55.1	0	0	0	113.3	F120 R121 R122 G253 I279 M280 G281 L285 W286 D287	F120-Y283 VanDerWaalsContact C-CE2 3.43Å; F120-Y283 VanDerWaalsContact C-CZ 3.49Å; F120-Y283 HydrophobicContact CB-CE2 4.04Å; F120-Y283 WeakPolarHBondContact O-CE2 3.43Å; F120-Y283 PolarHBondContact O-OH 3.01Å; F120-Y283 VanDerWaalsContact O-OH 3.06Å; R121-Y283 WeakPolarHBondContact O-CD1 3.44Å; R122-Y283 HydrophobicContact CG-CD1 4.31Å; R122-Y283 HydrophobicContact CG-CE1 4.36Å; G253-Y283 CarbonylContact O-C 3.43Å; G253-Y283 WeakPolarHBondContact O-CA 3.49Å; G253-Y283 WeakPolarHBondContact O-CB 3.17Å; G253-Y283 PolarHBondContact O-N 3Å; I279-Y283 HydrophobicContact CG2-CE2 3.52Å; I279-Y283 WeakPolarHBondContact CG2-OH 3.24Å; M280-Y283 PolarHBondContact N-OH 2.99Å; G281-Y283 PolarHBondContact O-N 2.82Å; Y283-L285 VanDerWaalsContact C-N 3.32Å; Y283-L285 PolarHBondContact O-N 2.84Å; Y283-W286 PolarHBondContact O-N 3.48Å; Y283-D287 PolarHBondContact O-N 3.28Å
284	G	98.5	Very high	89.3	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.3	-38.6	171.5	0	0	0	0	0	112.6	G253 N282 D287 Q288	G253-G284 PolarHBondContact O-N 2.77Å; N282-G284 PolarHBondContact O-N 2.91Å; G284-D287 WeakPolarHBondContact O-CB 3.4Å; G284-D287 PolarHBondContact O-N 3.43Å; G284-Q288 WeakPolarHBondContact O-CG 3.5Å; G284-Q288 PolarHBondContact O-N 3.47Å; G284-Q288 VanDerWaalsContact O-N 3.14Å
285	L	98.7	Very high	91.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-68.7	-38.6	173.9	-59.6	-179.3	0	0	0	111.9	Y254 N282 Y283 D287 Q288 I289 D320 L323 P415 F421 I422	Y254-L285 HydrophobicContact CE1-CG 4.26Å; N282-L285 HydrophobicContact CB-CB 4.45Å; N282-L285 HydrophobicContact CB-CD1 4.07Å; N282-L285 HydrophobicContact CB-CG 4.43Å; N282-L285 WeakPolarHBondContact O-CB 3.4Å; N282-L285 PolarHBondContact O-N 3.1Å; Y283-L285 VanDerWaalsContact C-N 3.32Å; Y283-L285 PolarHBondContact O-N 2.84Å; L285-D287 VanDerWaalsContact C-N 3.31Å; L285-D287 PolarHBondContact O-N 3.46Å; L285-Q288 PolarHBondContact O-N 2.78Å; L285-I289 PolarHBondContact O-N 3.31Å; L285-D320 HydrophobicContact CD2-CB 3.4Å; L285-D320 VanDerWaalsContact CD2-CG 3.4Å; L285-D320 WeakPolarHBondContact CD2-OD1 3.5Å; L285-L323 HydrophobicContact CD1-CD1 4.25Å; L285-P415 HydrophobicContact CD1-CB 4.02Å; L285-P415 HydrophobicContact CD1-CG 4.26Å; L285-F421 HydrophobicContact CB-CD1 4.36Å; L285-F421 HydrophobicContact CB-CD2 4.1Å; L285-F421 HydrophobicContact CB-CE1 4.12Å; L285-F421 HydrophobicContact CB-CE2 3.72Å; L285-F421 HydrophobicContact CB-CG 4.42Å; L285-F421 HydrophobicContact CB-CZ 3.78Å; L285-F421 HydrophobicContact CD1-CD1 3.68Å; L285-F421 HydrophobicContact CD1-CE1 3.54Å; L285-F421 HydrophobicContact CD1-CG 4.41Å; L285-F421 HydrophobicContact CD1-CZ 4.04Å; L285-F421 HydrophobicContact CG-CE1 4.32Å; L285-F421 HydrophobicContact CG-CZ 4.34Å; L285-I422 HydrophobicContact CD1-CD1 3.93Å
286	W	98.7	Very high	93.6	Very high	30 Å²	30	22.8 Å²	22.8	11%	0.114	11%	0.107	C	C	.	.	H	α-helix	trans	-66.3	-33.8	174.5	-73.8	105.2	0	0	0	112.4	R122 P123 N282 Y283 Q288 I289 R290 K329 F421	R122-W286 HydrophobicContact CG-CD2 4.44Å; R122-W286 HydrophobicContact CG-CG 4.16Å; P123-W286 HydrophobicContact CG-CB 4.13Å; P123-W286 WeakPolarHBondContact CG-O 3.48Å; N282-W286 PolarHBondContact O-N 3.04Å; N282-W286 VanDerWaalsContact O-N 3.08Å; Y283-W286 PolarHBondContact O-N 3.48Å; W286-Q288 VanDerWaalsContact C-N 3.35Å; W286-I289 HydrophobicContact CE3-CD1 3.87Å; W286-I289 HydrophobicContact CZ3-CD1 3.86Å; W286-I289 PolarHBondContact O-N 2.92Å; W286-R290 PolarHBondContact O-N 3.48Å; W286-K329 HydrophobicContact CH2-CB 4.31Å; W286-K329 HydrophobicContact CH2-CD 4.29Å; W286-K329 HydrophobicContact CH2-CG 3.84Å; W286-K329 HydrophobicContact CZ3-CB 4.49Å; W286-K329 HydrophobicContact CZ3-CG 4.48Å; W286-F421 HydrophobicContact CD2-CD2 4.4Å; W286-F421 HydrophobicContact CZ2-CB 3.92Å; W286-F421 HydrophobicContact CZ2-CD2 4.36Å
287	D	98.9	Very high	95	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.9	-43.7	171.7	-66.1	-17.9	0	0	0	111.2	Y108 P123 L185 R248 Y283 G284 L285 R290 A291	Y108-D287 HydrophobicContact CE2-CB 4.47Å; Y108-D287 VanDerWaalsContact CE2-O 3.31Å; Y108-D287 WeakPolarHBondContact CE2-O 3.44Å; P123-D287 WeakPolarHBondContact CB-OD1 3.29Å; P123-D287 WeakPolarHBondContact CG-OD1 3.34Å; L185-D287 HydrophobicContact CD2-CB 4.19Å; L185-D287 WeakPolarHBondContact CD2-OD2 3.31Å; R248-D287 VanDerWaalsContact CB-OD2 3.23Å; R248-D287 WeakPolarHBondContact CB-OD2 3.23Å; R248-D287 WeakPolarHBondContact CG-OD2 3.34Å; R248-D287 IonicContact CZ-OD1 3.5Å; R248-D287 IonicContact CZ-OD2 2.68Å; R248-D287 PolarHBondContact N-OD2 2.98Å; R248-D287 IonicContact NE-OD1 3.76Å; R248-D287 PolarHBondContact NE-OD1 3.16Å; R248-D287 IonicContact NE-OD2 2.68Å; R248-D287 PolarHBondContact NE-OD2 3.13Å; R248-D287 IonicContact NH2-OD1 2.68Å; R248-D287 PolarHBondContact NH2-OD1 3Å; R248-D287 IonicContact NH2-OD2 2.92Å; Y283-D287 PolarHBondContact O-N 3.28Å; G284-D287 WeakPolarHBondContact O-CB 3.4Å; G284-D287 PolarHBondContact O-N 3.43Å; L285-D287 VanDerWaalsContact C-N 3.31Å; L285-D287 PolarHBondContact O-N 3.46Å; D287-R290 PolarHBondContact O-N 2.99Å; D287-A291 WeakPolarHBondContact O-CB 3.41Å; D287-A291 PolarHBondContact O-N 3.47Å
288	Q	98.8	Very high	96.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-63.4	-40.7	175.5	-65.4	177.3	20.3	0	0	111.7	F217 Y247 G284 L285 W286 A291 L292 D320 H324	F217-Q288 HydrophobicContact CD1-CG 3.81Å; F217-Q288 HydrophobicContact CD2-CG 4.49Å; F217-Q288 HydrophobicContact CE1-CB 3.93Å; F217-Q288 HydrophobicContact CE1-CG 3.57Å; F217-Q288 HydrophobicContact CE2-CB 4.22Å; F217-Q288 HydrophobicContact CE2-CG 4.29Å; F217-Q288 HydrophobicContact CG-CG 4.27Å; F217-Q288 HydrophobicContact CZ-CB 3.72Å; F217-Q288 HydrophobicContact CZ-CG 3.83Å; Y247-Q288 HydrophobicContact CD1-CG 4.23Å; Y247-Q288 HydrophobicContact CD2-CG 4.29Å; Y247-Q288 HydrophobicContact CG-CG 4.05Å; Y247-Q288 PolarHBondContact OH-NE2 2.94Å; G284-Q288 WeakPolarHBondContact O-CG 3.5Å; G284-Q288 PolarHBondContact O-N 3.47Å; G284-Q288 VanDerWaalsContact O-N 3.14Å; L285-Q288 PolarHBondContact O-N 2.78Å; W286-Q288 VanDerWaalsContact C-N 3.35Å; Q288-A291 PolarHBondContact O-N 3.04Å; Q288-L292 WeakPolarHBondContact O-CB 3.32Å; Q288-L292 VanDerWaalsContact O-CG 3.26Å; Q288-L292 WeakPolarHBondContact O-CG 3.41Å; Q288-L292 PolarHBondContact O-N 3.17Å; Q288-D320 PolarHBondContact NE2-OD2 3.08Å; Q288-H324 WeakPolarHBondContact CB-NE2 3.35Å; Q288-H324 PolarHBondContact OE1-CD2 3.28Å; Q288-H324 PolarHBondContact OE1-NE2 2.93Å
289	I	98.5	Very high	96.9	Very high	4 Å²	4	16.5 Å²	16.5	2%	0.021	8%	0.076	C	C	.	.	H	α-helix	trans	-56.9	-53	171	-72	-171.5	0	0	0	110.5	L285 W286 A291 L292 E293 K329 L337 F421	L285-I289 PolarHBondContact O-N 3.31Å; W286-I289 HydrophobicContact CE3-CD1 3.87Å; W286-I289 HydrophobicContact CZ3-CD1 3.86Å; W286-I289 PolarHBondContact O-N 2.92Å; I289-A291 VanDerWaalsContact C-N 3.26Å; I289-A291 PolarHBondContact O-N 2.94Å; I289-L292 WeakPolarHBondContact O-CB 3.28Å; I289-L292 PolarHBondContact O-N 3.41Å; I289-E293 HydrophobicContact CG2-CG 4.16Å; I289-E293 WeakPolarHBondContact O-CG 3.17Å; I289-E293 PolarHBondContact O-N 2.88Å; I289-K329 HydrophobicContact CD1-CB 3.55Å; I289-L337 HydrophobicContact CG2-CD1 4.25Å; I289-F421 HydrophobicContact CD1-CD2 3.53Å; I289-F421 HydrophobicContact CD1-CE2 3.31Å; I289-F421 HydrophobicContact CG1-CD2 4.36Å; I289-F421 HydrophobicContact CG1-CE2 3.72Å
290	R	98.5	Very high	97.1	Very high	7 Å²	7	19.3 Å²	19.3	3%	0.026	9%	0.091	C	C	.	.	H	α-helix	trans	-63.6	-36.1	-173.9	176.6	55.8	-155	137.8	-2.6	111.5	Y76 Y108 A109 P123 W286 D287 E293 F294 E297	Y76-R290 VanDerWaalsContact CE2-NH2 3.32Å; Y76-R290 PolarHBondContact OH-NH2 3.19Å; Y108-R290 HydrophobicContact CD2-CB 4.39Å; Y108-R290 HydrophobicContact CD2-CG 4.04Å; Y108-R290 WeakPolarHBondContact O-CG 3.1Å; Y108-R290 PolarHBondContact O-NE 3.37Å; Y108-R290 PolarHBondContact O-NH2 3.47Å; A109-R290 HydrophobicContact CB-CG 4.14Å; P123-R290 HydrophobicContact CB-CB 4.21Å; P123-R290 HydrophobicContact CB-CG 4.34Å; P123-R290 HydrophobicContact CG-CB 3.81Å; P123-R290 HydrophobicContact CG-CG 4.41Å; W286-R290 PolarHBondContact O-N 3.48Å; D287-R290 PolarHBondContact O-N 2.99Å; R290-E293 PolarHBondContact O-N 2.84Å; R290-F294 WeakPolarHBondContact O-CB 3.48Å; R290-F294 PolarHBondContact O-N 3.23Å; R290-E297 IonicContact CZ-OE2 3.63Å; R290-E297 IonicContact NH1-OE1 2.63Å; R290-E297 PolarHBondContact NH1-OE1 3Å; R290-E297 IonicContact NH1-OE2 2.97Å; R290-E297 PolarHBondContact NH1-OE2 2.94Å; R290-E297 IonicContact NH2-OE2 3.26Å
291	A	98.7	Very high	97.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-63.6	-45.7	171.9	0	0	0	0	0	112	Y108 V245 D287 Q288 I289 E293 F294 I295	Y108-A291 HydrophobicContact CD1-CB 4.13Å; Y108-A291 HydrophobicContact CD2-CB 3.84Å; Y108-A291 HydrophobicContact CE1-CB 4.16Å; Y108-A291 HydrophobicContact CE2-CB 3.88Å; Y108-A291 HydrophobicContact CG-CB 3.96Å; V245-A291 HydrophobicContact CG1-CB 3.59Å; V245-A291 HydrophobicContact CG2-CB 4.28Å; D287-A291 WeakPolarHBondContact O-CB 3.41Å; D287-A291 PolarHBondContact O-N 3.47Å; Q288-A291 PolarHBondContact O-N 3.04Å; I289-A291 VanDerWaalsContact C-N 3.26Å; I289-A291 PolarHBondContact O-N 2.94Å; A291-E293 VanDerWaalsContact C-N 3.33Å; A291-E293 PolarHBondContact O-N 3.46Å; A291-F294 WeakPolarHBondContact O-CB 3.48Å; A291-F294 PolarHBondContact O-N 2.92Å; A291-I295 WeakPolarHBondContact O-CB 3.42Å; A291-I295 WeakPolarHBondContact O-CD1 3.35Å; A291-I295 WeakPolarHBondContact O-CG1 3.49Å; A291-I295 PolarHBondContact O-N 3.4Å
292	L	98.7	Very high	97.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-63.2	-37.6	177.1	-71.1	168.6	0	0	0	112.5	V215 F217 Q288 I289 I295 H296 I309 V311 L337 F338	V215-L292 HydrophobicContact CB-CD2 4.41Å; V215-L292 HydrophobicContact CG1-CD2 4.21Å; V215-L292 HydrophobicContact CG2-CD2 4.24Å; F217-L292 HydrophobicContact CZ-CG 4.3Å; Q288-L292 WeakPolarHBondContact O-CB 3.32Å; Q288-L292 VanDerWaalsContact O-CG 3.26Å; Q288-L292 WeakPolarHBondContact O-CG 3.41Å; Q288-L292 PolarHBondContact O-N 3.17Å; I289-L292 WeakPolarHBondContact O-CB 3.28Å; I289-L292 PolarHBondContact O-N 3.41Å; L292-I295 PolarHBondContact O-N 3.04Å; L292-H296 WeakPolarHBondContact O-CB 3.24Å; L292-H296 PolarHBondContact O-N 3.24Å; L292-I309 HydrophobicContact CD2-CG2 4.49Å; L292-V311 HydrophobicContact CD2-CG2 3.82Å; L292-L337 HydrophobicContact CB-CB 4.18Å; L292-L337 HydrophobicContact CB-CD1 4Å; L292-L337 HydrophobicContact CD1-CB 4.46Å; L292-F338 HydrophobicContact CD1-CD1 4.05Å; L292-F338 HydrophobicContact CD1-CE1 4.43Å
293	E	98.1	Very high	97	Very high	48 Å²	48	21.3 Å²	21.3	22%	0.224	10%	0.099	C	C	.	.	H	α-helix	trans	-62.5	-49.1	172.6	-72.5	178.2	149.7	0	0	111.4	I289 R290 A291 I295 H296 E297 R333 L337	I289-E293 HydrophobicContact CG2-CG 4.16Å; I289-E293 WeakPolarHBondContact O-CG 3.17Å; I289-E293 PolarHBondContact O-N 2.88Å; R290-E293 PolarHBondContact O-N 2.84Å; A291-E293 VanDerWaalsContact C-N 3.33Å; A291-E293 PolarHBondContact O-N 3.46Å; E293-I295 VanDerWaalsContact C-N 3.27Å; E293-I295 PolarHBondContact O-N 2.68Å; E293-H296 PolarHBondContact O-N 2.6Å; E293-H296 VanDerWaalsContact O-N 3.17Å; E293-E297 WeakPolarHBondContact O-CB 3.41Å; E293-E297 WeakPolarHBondContact O-CG 3.31Å; E293-E297 PolarHBondContact O-N 2.74Å; E293-R333 IonicContact OE1-CZ 3.34Å; E293-R333 IonicContact OE1-NH1 3.71Å; E293-R333 PolarHBondContact OE1-NH1 3.06Å; E293-R333 IonicContact OE1-NH2 3.87Å; E293-L337 HydrophobicContact CG-CD1 4.2Å; E293-L337 HydrophobicContact CG-CD2 4.02Å
294	F	98.2	Very high	96.9	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.009	10%	0.096	C	C	.	.	H	α-helix	trans	-55.8	-44.1	175.9	177.2	-79.7	0	0	0	111.6	T74 Y76 I106 L187 R290 A291 E297 H298	T74-F294 HydrophobicContact CG2-CZ 4.09Å; Y76-F294 HydrophobicContact CD2-CD2 4.12Å; Y76-F294 AromaticContact CD2-CE2 3.82Å; Y76-F294 HydrophobicContact CD2-CE2 3.82Å; Y76-F294 HydrophobicContact CE2-CD2 4Å; Y76-F294 HydrophobicContact CE2-CE2 4.17Å; I106-F294 HydrophobicContact CG2-CE1 4.06Å; I106-F294 HydrophobicContact CG2-CE2 4.33Å; I106-F294 HydrophobicContact CG2-CZ 3.54Å; L187-F294 HydrophobicContact CD1-CE1 4.32Å; L187-F294 HydrophobicContact CD2-CD1 3.71Å; L187-F294 HydrophobicContact CD2-CE1 4.08Å; L187-F294 HydrophobicContact CD2-CG 4.47Å; R290-F294 WeakPolarHBondContact O-CB 3.48Å; R290-F294 PolarHBondContact O-N 3.23Å; A291-F294 WeakPolarHBondContact O-CB 3.48Å; A291-F294 PolarHBondContact O-N 2.92Å; F294-E297 PolarHBondContact O-N 3.24Å; F294-H298 AromaticContact CD2-ND1 3.92Å; F294-H298 PolarHBondContact O-N 2.96Å; F294-H298 VanDerWaalsContact O-N 3.1Å; F294-H298 PolarHBondContact O-ND1 3.46Å
295	I	98.2	Very high	96.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63.8	-46	179.1	-69.3	164.3	0	0	0	110.4	L187 I213 V215 I243 V245 A291 L292 E293 H298 A299 F302 I309	L187-I295 HydrophobicContact CD2-CD1 4.43Å; L187-I295 HydrophobicContact CD2-CG1 4.13Å; I213-I295 HydrophobicContact CD1-CG2 4.21Å; I213-I295 HydrophobicContact CG2-CG2 4.16Å; V215-I295 HydrophobicContact CB-CD1 4.48Å; V215-I295 HydrophobicContact CG1-CD1 3.87Å; V215-I295 HydrophobicContact CG2-CD1 3.72Å; V215-I295 HydrophobicContact CG2-CG2 4.41Å; I243-I295 HydrophobicContact CB-CD1 4.28Å; I243-I295 HydrophobicContact CD1-CB 4.31Å; I243-I295 HydrophobicContact CD1-CD1 3.99Å; I243-I295 HydrophobicContact CD1-CG1 3.72Å; I243-I295 HydrophobicContact CD1-CG2 3.7Å; I243-I295 HydrophobicContact CG2-CD1 3.74Å; I243-I295 HydrophobicContact CG2-CG1 4.22Å; V245-I295 HydrophobicContact CG2-CD1 4.42Å; A291-I295 WeakPolarHBondContact O-CB 3.42Å; A291-I295 WeakPolarHBondContact O-CD1 3.35Å; A291-I295 WeakPolarHBondContact O-CG1 3.49Å; A291-I295 PolarHBondContact O-N 3.4Å; L292-I295 PolarHBondContact O-N 3.04Å; E293-I295 VanDerWaalsContact C-N 3.27Å; E293-I295 PolarHBondContact O-N 2.68Å; I295-H298 PolarHBondContact O-N 3.03Å; I295-A299 WeakPolarHBondContact O-CA 3.21Å; I295-A299 WeakPolarHBondContact O-CB 3.19Å; I295-A299 PolarHBondContact O-N 3.25Å; I295-F302 HydrophobicContact CG2-CZ 4.27Å; I295-I309 HydrophobicContact CG2-CD1 4.28Å
296	H	95.9	Very high	96.6	Very high	59 Å²	59	22.5 Å²	22.5	27%	0.273	11%	0.108	S	C	.	.	H	α-helix	trans	-64.8	-40.9	178.6	-176.1	-77.1	0	0	0	112	L292 E293 H298	L292-H296 WeakPolarHBondContact O-CB 3.24Å; L292-H296 PolarHBondContact O-N 3.24Å; E293-H296 PolarHBondContact O-N 2.6Å; E293-H296 VanDerWaalsContact O-N 3.17Å; H296-H298 VanDerWaalsContact C-N 3.34Å; H296-H298 PolarHBondContact O-N 3.03Å
297	E	95.6	Very high	96.5	Very high	90 Å²	90	25.7 Å²	25.7	42%	0.421	13%	0.127	S	C	.	.	H	α-helix	trans	-62.9	-35.9	177.8	-73.7	158.7	-172.2	0	0	112.8	R290 E293 F294	R290-E297 IonicContact CZ-OE2 3.63Å; R290-E297 IonicContact NH1-OE1 2.63Å; R290-E297 PolarHBondContact NH1-OE1 3Å; R290-E297 IonicContact NH1-OE2 2.97Å; R290-E297 PolarHBondContact NH1-OE2 2.94Å; R290-E297 IonicContact NH2-OE2 3.26Å; E293-E297 WeakPolarHBondContact O-CB 3.41Å; E293-E297 WeakPolarHBondContact O-CG 3.31Å; E293-E297 PolarHBondContact O-N 2.74Å; F294-E297 PolarHBondContact O-N 3.24Å
298	H	96.3	Very high	96.4	Very high	5 Å²	5	28.1 Å²	28.1	2%	0.023	14%	0.139	C	C	.	.	H	α-helix	trans	-115.7	9.1	-170.9	-58	91.3	0	0	0	114.2	T74 D75 Y76 F294 I295 H296 D300 K301 F302	T74-H298 VanDerWaalsContact CB-CD2 3.49Å; T74-H298 WeakPolarHBondContact CB-CD2 3.29Å; T74-H298 WeakPolarHBondContact CB-NE2 3.49Å; D75-H298 PolarHBondContact N-NE2 3.07Å; Y76-H298 AromaticContact CE2-CE1 3.83Å; F294-H298 AromaticContact CD2-ND1 3.92Å; F294-H298 PolarHBondContact O-N 2.96Å; F294-H298 VanDerWaalsContact O-N 3.1Å; F294-H298 PolarHBondContact O-ND1 3.46Å; I295-H298 PolarHBondContact O-N 3.03Å; H296-H298 VanDerWaalsContact C-N 3.34Å; H296-H298 PolarHBondContact O-N 3.03Å; H298-D300 VanDerWaalsContact C-N 3.29Å; H298-D300 PolarHBondContact O-N 3.26Å; H298-K301 HydrophobicContact CB-CG 4.23Å; H298-K301 WeakPolarHBondContact O-CA 3.43Å; H298-K301 VanDerWaalsContact O-CB 3.24Å; H298-K301 WeakPolarHBondContact O-CB 3.2Å; H298-K301 PolarHBondContact O-N 2.8Å; H298-F302 HydrophobicContact CB-CE1 4.01Å; H298-F302 VanDerWaalsContact O-CD1 3.24Å; H298-F302 WeakPolarHBondContact O-CD1 3.3Å; H298-F302 WeakPolarHBondContact O-CE1 3.45Å
299	A	96.2	Very high	96.4	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.008	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-49.9	-47.6	-175.4	0	0	0	0	0	113.1	I213 I295 K301 F302 L303 G304 P306	I213-A299 HydrophobicContact CD1-CB 3.85Å; I295-A299 WeakPolarHBondContact O-CA 3.21Å; I295-A299 WeakPolarHBondContact O-CB 3.19Å; I295-A299 PolarHBondContact O-N 3.25Å; A299-K301 PolarHBondContact O-N 3.09Å; A299-F302 VanDerWaalsContact CA-CZ 3.41Å; A299-F302 HydrophobicContact CB-CE2 4.39Å; A299-F302 HydrophobicContact CB-CZ 4.38Å; A299-F302 WeakPolarHBondContact O-CD2 3.49Å; A299-F302 PolarHBondContact O-N 3.5Å; A299-L303 PolarHBondContact O-N 3.39Å; A299-G304 CarbonylContact C-O 3.6Å; A299-G304 WeakPolarHBondContact O-CA 3.45Å; A299-G304 PolarHBondContact O-N 2.86Å; A299-P306 HydrophobicContact CB-CB 3.78Å; A299-P306 HydrophobicContact CB-CG 4.1Å
300	D	93.2	Very high	96.4	Very high	61 Å²	61	28 Å²	28	33%	0.326	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-59.3	-34.8	178.9	69.5	-41.2	0	0	0	112.2	H298 F302 L303	H298-D300 VanDerWaalsContact C-N 3.29Å; H298-D300 PolarHBondContact O-N 3.26Å; D300-F302 PolarHBondContact O-N 2.91Å; D300-L303 PolarHBondContact O-N 3.5Å; D300-L303 VanDerWaalsContact O-N 3.15Å
301	K	92.9	Very high	96.4	Very high	79 Å²	79	27.8 Å²	27.8	34%	0.343	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-67.3	-16.1	-178.3	-49.8	-54.6	-179.8	-145.8	0	113.4	R70 I72 H73 H298 A299	R70-K301 PolarHBondContact NH1-O 3.36Å; R70-K301 PolarHBondContact NH2-O 3.03Å; I72-K301 HydrophobicContact CG2-CB 3.69Å; H73-K301 WeakPolarHBondContact O-CG 3.41Å; H298-K301 HydrophobicContact CB-CG 4.23Å; H298-K301 WeakPolarHBondContact O-CA 3.43Å; H298-K301 VanDerWaalsContact O-CB 3.24Å; H298-K301 WeakPolarHBondContact O-CB 3.2Å; H298-K301 PolarHBondContact O-N 2.8Å; A299-K301 PolarHBondContact O-N 3.09Å
302	F	92.7	Very high	96.4	Very high	1 Å²	1	27.8 Å²	27.8	0%	0.004	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-124.6	26.9	173.7	48.2	-104	0	0	0	112.5	I72 I189 N191 I213 V241 I243 I295 H298 A299 D300 G304	I72-F302 HydrophobicContact CD1-CB 3.94Å; I72-F302 HydrophobicContact CD1-CD1 4.33Å; I189-F302 HydrophobicContact CD1-CD1 3.69Å; I189-F302 HydrophobicContact CD1-CE1 3.86Å; I189-F302 HydrophobicContact CD1-CG 4.21Å; I189-F302 HydrophobicContact CG2-CB 4.16Å; I189-F302 HydrophobicContact CG2-CD2 4.38Å; I189-F302 HydrophobicContact CG2-CG 4.16Å; N191-F302 PolarHBondContact ND2-O 2.77Å; I213-F302 HydrophobicContact CD1-CE2 4.06Å; V241-F302 HydrophobicContact CB-CD2 4.49Å; V241-F302 HydrophobicContact CG1-CD2 3.59Å; V241-F302 HydrophobicContact CG1-CE2 3.74Å; V241-F302 HydrophobicContact CG2-CD2 4.2Å; V241-F302 WeakPolarHBondContact CG2-O 3.31Å; I243-F302 HydrophobicContact CD1-CE2 3.79Å; I243-F302 HydrophobicContact CD1-CZ 3.74Å; I295-F302 HydrophobicContact CG2-CZ 4.27Å; H298-F302 HydrophobicContact CB-CE1 4.01Å; H298-F302 VanDerWaalsContact O-CD1 3.24Å; H298-F302 WeakPolarHBondContact O-CD1 3.3Å; H298-F302 WeakPolarHBondContact O-CE1 3.45Å; A299-F302 VanDerWaalsContact CA-CZ 3.41Å; A299-F302 HydrophobicContact CB-CE2 4.39Å; A299-F302 HydrophobicContact CB-CZ 4.38Å; A299-F302 WeakPolarHBondContact O-CD2 3.49Å; A299-F302 PolarHBondContact O-N 3.5Å; D300-F302 PolarHBondContact O-N 2.91Å; F302-G304 PolarHBondContact O-N 3.19Å
303	L	92.7	Very high	96.4	Very high	43 Å²	43	27.8 Å²	27.8	23%	0.225	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	21.8	177.9	-50	174.8	0	0	0	113.8	Y193 R210 Y211 A299 D300	Y193-L303 HydrophobicContact CD2-CD1 3.86Å; R210-L303 CarbonylContact C-O 3.56Å; R210-L303 WeakPolarHBondContact CA-O 3.34Å; Y211-L303 HydrophobicContact CD2-CB 4.11Å; Y211-L303 HydrophobicContact CE2-CB 4.41Å; Y211-L303 PolarHBondContact N-O 2.87Å; A299-L303 PolarHBondContact O-N 3.39Å; D300-L303 PolarHBondContact O-N 3.5Å; D300-L303 VanDerWaalsContact O-N 3.15Å
304	G	96.3	Very high	96.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	150.9	174.2	0	0	0	0	0	112.4	Y211 A299 F302	Y211-G304 CarbonylContact O-C 3.56Å; Y211-G304 WeakPolarHBondContact O-CA 3.35Å; A299-G304 CarbonylContact C-O 3.6Å; A299-G304 WeakPolarHBondContact O-CA 3.45Å; A299-G304 PolarHBondContact O-N 2.86Å; F302-G304 PolarHBondContact O-N 3.19Å
305	D	96.2	Very high	96.3	Very high	24 Å²	24	26 Å²	26	13%	0.128	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	111.7	169.8	-172.7	-2	0	0	0	110.4	R210 Y211 N307 Q308	R210-D305 HydrophobicContact CB-CB 3.88Å; Y211-D305 PolarHBondContact O-N 3.19Å; D305-N307 PolarHBondContact O-N 3.28Å; D305-N307 VanDerWaalsContact O-N 3.12Å; D305-N307 WeakPolarHBondContact OD1-CB 3.5Å; D305-N307 PolarHBondContact OD1-N 2.87Å; D305-N307 PolarHBondContact OD1-ND2 3.36Å; D305-Q308 HydrophobicContact CB-CB 4.17Å; D305-Q308 HydrophobicContact CB-CG 4.44Å; D305-Q308 PolarHBondContact O-N 2.77Å; D305-Q308 WeakPolarHBondContact OD2-CG 3.29Å; D305-Q308 PolarHBondContact OD2-NE2 3.08Å
306	P	96.2	Very high	96.3	Very high	18 Å²	18	26 Å²	26	12%	0.117	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	-18.9	179.2	26.4	-33.5	0	0	0	112.9	A299 Q308 I309 H339	A299-P306 HydrophobicContact CB-CB 3.78Å; A299-P306 HydrophobicContact CB-CG 4.1Å; P306-Q308 VanDerWaalsContact C-N 3.33Å; P306-I309 WeakPolarHBondContact O-CD1 3.48Å; P306-H339 PolarHBondContact O-CE1 3.47Å; P306-H339 VanDerWaalsContact O-CE1 3.27Å
307	N	95.8	Very high	96.4	Very high	98 Å²	98	23.2 Å²	23.2	52%	0.524	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	1.3	178.1	-55	-59.2	0	0	0	113.4	D305 H339	D305-N307 PolarHBondContact O-N 3.28Å; D305-N307 VanDerWaalsContact O-N 3.12Å; D305-N307 WeakPolarHBondContact OD1-CB 3.5Å; D305-N307 PolarHBondContact OD1-N 2.87Å; D305-N307 PolarHBondContact OD1-ND2 3.36Å; N307-H339 VanDerWaalsContact CA-CE1 3.5Å; N307-H339 WeakPolarHBondContact CA-CE1 3.11Å; N307-H339 PolarHBondContact O-CD2 3.4Å; N307-H339 PolarHBondContact O-ND1 3.25Å
308	Q	96.4	Very high	96.6	Very high	51 Å²	51	19 Å²	19	24%	0.238	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	54.3	-178.8	-64.1	-170.2	74.5	0	0	111.5	P212 I213 D305 P306 K665	P212-Q308 HydrophobicContact CB-CB 4.13Å; I213-Q308 PolarHBondContact N-O 3.14Å; D305-Q308 HydrophobicContact CB-CB 4.17Å; D305-Q308 HydrophobicContact CB-CG 4.44Å; D305-Q308 PolarHBondContact O-N 2.77Å; D305-Q308 WeakPolarHBondContact OD2-CG 3.29Å; D305-Q308 PolarHBondContact OD2-NE2 3.08Å; P306-Q308 VanDerWaalsContact C-N 3.33Å; Q308-K665 PolarHBondContact OE1-O 2.92Å
309	I	98.4	Very high	96.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	122.4	176.6	-62.3	168	0	0	0	110	I213 V215 L292 I295 P306 V311 L337 F338 H339 R340	I213-I309 HydrophobicContact CB-CG1 4.07Å; I213-I309 HydrophobicContact CD1-CG1 3.97Å; I213-I309 HydrophobicContact CG1-CG1 4.5Å; I213-I309 CarbonylContact O-C 3.32Å; I213-I309 WeakPolarHBondContact O-CA 3.46Å; V215-I309 HydrophobicContact CG2-CG2 3.89Å; L292-I309 HydrophobicContact CD2-CG2 4.49Å; I295-I309 HydrophobicContact CG2-CD1 4.28Å; P306-I309 WeakPolarHBondContact O-CD1 3.48Å; I309-V311 HydrophobicContact CG2-CG2 4.17Å; I309-L337 WeakPolarHBondContact CD1-O 3.37Å; I309-F338 HydrophobicContact CB-CB 4.28Å; I309-F338 HydrophobicContact CG2-CB 3.85Å; I309-H339 PolarHBondContact O-N 2.82Å; I309-R340 PolarHBondContact O-N 2.75Å
310	T	98.7	Very high	96.8	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.006	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	122.1	171.7	-55.9	0	0	0	0	109.1	I213 I214 V215 I312 R340 I342 F663 A664	I213-T310 PolarHBondContact O-N 3.19Å; I214-T310 CarbonylContact C-O 3.23Å; I214-T310 WeakPolarHBondContact CA-O 3.44Å; V215-T310 PolarHBondContact N-O 3.41Å; T310-I312 HydrophobicContact CG2-CG1 4.48Å; T310-R340 WeakPolarHBondContact CA-O 3.38Å; T310-R340 HydrophobicContact CG2-CB 3.95Å; T310-I342 HydrophobicContact CG2-CD1 4.38Å; T310-I342 HydrophobicContact CG2-CG1 4.21Å; T310-F663 HydrophobicContact CG2-CD1 4.12Å; T310-F663 HydrophobicContact CG2-CE1 4.07Å; T310-A664 WeakPolarHBondContact OG1-CA 3.39Å
311	V	98.8	Very high	97.1	Very high	2 Å²	2	15.8 Å²	15.8	1%	0.012	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	126.6	178.9	-177.7	0	0	0	0	109.8	V215 F217 L292 I309 V321 F338 R340 V341 I342	V215-V311 HydrophobicContact CB-CG2 4.4Å; V215-V311 CarbonylContact O-C 3.53Å; V215-V311 WeakPolarHBondContact O-CA 3.32Å; F217-V311 HydrophobicContact CD2-CG1 3.64Å; F217-V311 HydrophobicContact CE2-CG1 3.64Å; L292-V311 HydrophobicContact CD2-CG2 3.82Å; I309-V311 HydrophobicContact CG2-CG2 4.17Å; V311-V321 HydrophobicContact CB-CG1 4.47Å; V311-V321 HydrophobicContact CG1-CG1 4.12Å; V311-V321 HydrophobicContact CG1-CG2 3.56Å; V311-F338 HydrophobicContact CG2-CB 3.48Å; V311-F338 VanDerWaalsContact CG2-CB 3.48Å; V311-F338 HydrophobicContact CG2-CD1 4.08Å; V311-F338 HydrophobicContact CG2-CD2 4.25Å; V311-F338 HydrophobicContact CG2-CG 3.69Å; V311-R340 PolarHBondContact N-O 3.04Å; V311-V341 HydrophobicContact CB-CG1 4.48Å; V311-V341 CarbonylContact O-C 3.57Å; V311-V341 VanDerWaalsContact O-CA 3.23Å; V311-V341 WeakPolarHBondContact O-CA 3.33Å; V311-I342 PolarHBondContact O-N 2.89Å
312	I	98.8	Very high	97.3	Very high	1 Å²	1	12 Å²	12	1%	0.005	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	123.3	177.4	-51.9	-175	0	0	0	107.7	I214 V215 F216 F217 T310 I342 M344 I660	I214-I312 HydrophobicContact CD1-CD1 4.47Å; I214-I312 HydrophobicContact CG2-CD1 3.59Å; I214-I312 HydrophobicContact CG2-CG1 4.05Å; V215-I312 PolarHBondContact O-N 3.35Å; F216-I312 WeakPolarHBondContact CA-O 3.21Å; F216-I312 HydrophobicContact CD2-CB 3.95Å; F216-I312 HydrophobicContact CD2-CG2 3.76Å; F216-I312 HydrophobicContact CE2-CG2 4.06Å; F217-I312 PolarHBondContact N-O 3.45Å; T310-I312 HydrophobicContact CG2-CG1 4.48Å; I312-I342 WeakPolarHBondContact CA-O 3.22Å; I312-I342 HydrophobicContact CB-CB 4.38Å; I312-I342 HydrophobicContact CD1-CD1 3.98Å; I312-I342 HydrophobicContact CG1-CB 4.01Å; I312-I342 HydrophobicContact CG1-CD1 4.07Å; I312-I342 HydrophobicContact CG1-CG1 4.18Å; I312-I342 HydrophobicContact CG2-CB 4.16Å; I312-I342 HydrophobicContact CG2-CG2 4.37Å; I312-M344 HydrophobicContact CG2-CG 4.11Å; I312-M344 HydrophobicContact CG2-SD 3.59Å; I312-M344 VanDerWaalsContact CG2-SD 3.59Å; I312-I660 HydrophobicContact CD1-CG2 4.16Å
313	G	98.6	Very high	97.6	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	140.1	170.5	0	0	0	0	0	110.4	F217 A318 I342 M344	F217-G313 WeakPolarHBondContact O-CA 3.43Å; G313-A318 WeakPolarHBondContact O-CB 3.36Å; G313-I342 PolarHBondContact N-O 3.46Å; G313-M344 WeakPolarHBondContact O-CB 3.47Å; G313-M344 PolarHBondContact O-N 3.02Å
314	H	98	Very high	97.9	Very high	4 Å²	4	10 Å²	10	2%	0.019	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	136.2	170.3	-179.4	-98.1	0	0	0	111.6	F216 F217 S219 S316 A317 M344 G607 E609 L610	F216-H314 HydrophobicContact CE2-CB 4.22Å; F216-H314 HydrophobicContact CZ-CB 4.04Å; F217-H314 PolarHBondContact O-N 2.95Å; F217-H314 VanDerWaalsContact O-N 3.08Å; S219-H314 PolarHBondContact N-O 2.93Å; S219-H314 VanDerWaalsContact O-O 3.05Å; H314-S316 PolarHBondContact O-N 2.85Å; H314-A317 VanDerWaalsContact O-CB 3.28Å; H314-A317 WeakPolarHBondContact O-CB 3.5Å; H314-A317 PolarHBondContact O-N 3.49Å; H314-M344 CarbonylContact C-O 3.25Å; H314-M344 WeakPolarHBondContact CA-O 3.32Å; H314-G607 PolarHBondContact NE2-N 2.68Å; H314-E609 IonicContact CD2-OE1 3.87Å; H314-E609 PolarHBondContact CD2-OE1 3.47Å; H314-E609 IonicContact NE2-OE1 2.83Å; H314-E609 PolarHBondContact NE2-OE1 3.28Å; H314-E609 VanDerWaalsContact NE2-OE1 3.15Å; H314-L610 HydrophobicContact CB-CD2 4.35Å
315	G	97.1	Very high	98	Very high	8 Å²	8	10 Å²	10	8%	0.082	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	-124.4	177.1	0	0	0	0	0	112.2	A317 A318 A319 M344 S345	G315-A317 PolarHBondContact O-N 3.28Å; G315-A318 VanDerWaalsContact O-CB 3.23Å; G315-A318 WeakPolarHBondContact O-CB 3.12Å; G315-A318 PolarHBondContact O-N 2.66Å; G315-A319 PolarHBondContact O-N 2.79Å; G315-M344 PolarHBondContact N-O 2.81Å; G315-S345 WeakPolarHBondContact CA-O 3.03Å
316	S	97.4	Very high	98	Very high	1 Å²	1	9 Å²	9	1%	0.007	5%	0.049	C	C	.	.	H	α-helix	trans	-62.7	-27.9	174.2	29.2	0	0	0	0	113.5	S219 Y220 D221 H222 H314 A318 A319 D320	S219-S316 WeakPolarHBondContact CB-OG 3.25Å; S219-S316 PolarHBondContact O-N 2.93Å; S219-S316 PolarHBondContact O-OG 3.27Å; S219-S316 PolarHBondContact OG-OG 3.37Å; Y220-S316 WeakPolarHBondContact CA-OG 3.43Å; Y220-S316 PolarHBondContact N-OG 2.92Å; D221-S316 PolarHBondContact N-OG 2.94Å; D221-S316 VanDerWaalsContact N-OG 3.1Å; H222-S316 WeakPolarHBondContact CE1-CB 3.16Å; H222-S316 VanDerWaalsContact CG-CB 3.48Å; H222-S316 PolarHBondContact N-OG 3Å; H222-S316 VanDerWaalsContact ND1-CB 3.28Å; H222-S316 WeakPolarHBondContact ND1-CB 3.4Å; H222-S316 PolarHBondContact NE2-O 2.85Å; H314-S316 PolarHBondContact O-N 2.85Å; S316-A318 VanDerWaalsContact C-N 3.28Å; S316-A318 PolarHBondContact O-N 3.07Å; S316-A319 WeakPolarHBondContact O-CA 3.45Å; S316-A319 VanDerWaalsContact O-CB 3.29Å; S316-A319 WeakPolarHBondContact O-CB 3.19Å; S316-A319 PolarHBondContact O-N 3.15Å; S316-A319 VanDerWaalsContact O-N 3.12Å; S316-D320 PolarHBondContact O-N 2.86Å
317	A	98.4	Very high	98.1	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-70.2	-27.8	172.6	0	0	0	0	0	112	F217 H218 Y247 H314 G315 A319 D320 V321	F217-A317 HydrophobicContact CB-CB 3.77Å; F217-A317 VanDerWaalsContact O-CB 3.31Å; F217-A317 WeakPolarHBondContact O-CB 3.34Å; H218-A317 VanDerWaalsContact C-CB 3.47Å; Y247-A317 VanDerWaalsContact OH-CB 3.27Å; Y247-A317 WeakPolarHBondContact OH-CB 3.42Å; H314-A317 VanDerWaalsContact O-CB 3.28Å; H314-A317 WeakPolarHBondContact O-CB 3.5Å; H314-A317 PolarHBondContact O-N 3.49Å; G315-A317 PolarHBondContact O-N 3.28Å; A317-A319 VanDerWaalsContact C-N 3.27Å; A317-D320 WeakPolarHBondContact O-CB 3.4Å; A317-D320 PolarHBondContact O-N 3.18Å; A317-V321 VanDerWaalsContact O-CG2 3.26Å; A317-V321 WeakPolarHBondContact O-CG2 3.37Å; A317-V321 PolarHBondContact O-N 3.28Å
318	A	98.8	Very high	98.1	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-65.9	-35.1	170	0	0	0	0	0	110.9	G313 G315 S316 V321 A322 L343 G346	G313-A318 WeakPolarHBondContact O-CB 3.36Å; G315-A318 VanDerWaalsContact O-CB 3.23Å; G315-A318 WeakPolarHBondContact O-CB 3.12Å; G315-A318 PolarHBondContact O-N 2.66Å; S316-A318 VanDerWaalsContact C-N 3.28Å; S316-A318 PolarHBondContact O-N 3.07Å; A318-V321 PolarHBondContact O-N 3.31Å; A318-A322 WeakPolarHBondContact O-CB 3.46Å; A318-A322 PolarHBondContact O-N 2.95Å; A318-L343 HydrophobicContact CB-CB 4.23Å; A318-L343 WeakPolarHBondContact O-CD2 3.42Å; A318-G346 VanDerWaalsContact CB-O 3.31Å; A318-G346 WeakPolarHBondContact CB-O 3.19Å
319	A	98.4	Very high	98.1	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-64	-43.7	171	0	0	0	0	0	112	G315 S316 A317 V321 A322 L323 S347 M350	G315-A319 PolarHBondContact O-N 2.79Å; S316-A319 WeakPolarHBondContact O-CA 3.45Å; S316-A319 VanDerWaalsContact O-CB 3.29Å; S316-A319 WeakPolarHBondContact O-CB 3.19Å; S316-A319 PolarHBondContact O-N 3.15Å; S316-A319 VanDerWaalsContact O-N 3.12Å; A317-A319 VanDerWaalsContact C-N 3.27Å; A319-V321 PolarHBondContact O-N 2.83Å; A319-A322 PolarHBondContact O-N 3.34Å; A319-L323 WeakPolarHBondContact O-CG 3.17Å; A319-L323 PolarHBondContact O-N 3.43Å; A319-S347 VanDerWaalsContact CA-C 3.43Å; A319-S347 VanDerWaalsContact CB-C 3.47Å; A319-S347 WeakPolarHBondContact CB-O 3.32Å; A319-M350 HydrophobicContact CB-CE 3.98Å; A319-M350 HydrophobicContact CB-SD 4.42Å
320	D	98.7	Very high	98	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-57.8	-47.3	174.3	-63.3	-22.3	0	0	0	111.6	H222 Y247 Y254 L285 Q288 S316 A317 A322 L323 H324 P415	H222-D320 IonicContact CD2-OD1 2.76Å; H222-D320 PolarHBondContact CD2-OD1 2.91Å; H222-D320 IonicContact CD2-OD2 2.93Å; H222-D320 IonicContact CE1-OD1 2.87Å; H222-D320 IonicContact NE2-OD1 3.3Å; H222-D320 PolarHBondContact NE2-OD1 3.17Å; H222-D320 IonicContact NE2-OD2 3.37Å; Y247-D320 PolarHBondContact OH-OD2 3.27Å; Y254-D320 PolarHBondContact OH-OD1 3.41Å; Y254-D320 PolarHBondContact OH-OD2 3.21Å; L285-D320 HydrophobicContact CD2-CB 3.4Å; L285-D320 VanDerWaalsContact CD2-CG 3.4Å; L285-D320 WeakPolarHBondContact CD2-OD1 3.5Å; Q288-D320 PolarHBondContact NE2-OD2 3.08Å; S316-D320 PolarHBondContact O-N 2.86Å; A317-D320 WeakPolarHBondContact O-CB 3.4Å; A317-D320 PolarHBondContact O-N 3.18Å; D320-A322 VanDerWaalsContact C-N 3.32Å; D320-A322 PolarHBondContact O-N 2.89Å; D320-L323 CarbonylContact O-C 3.36Å; D320-L323 WeakPolarHBondContact O-CA 3.38Å; D320-L323 WeakPolarHBondContact O-CB 3.44Å; D320-L323 PolarHBondContact O-N 3.49Å; D320-H324 PolarHBondContact O-CD2 2.99Å; D320-H324 PolarHBondContact O-N 3.06Å; D320-P415 WeakPolarHBondContact OD1-CG 3.49Å
321	V	98.8	Very high	97.8	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-63.1	-37.9	177.9	174.6	0	0	0	0	111.7	F217 V311 A317 A318 A319 L323 H324 L325 V341 L343	F217-V321 HydrophobicContact CD2-CG2 4.21Å; V311-V321 HydrophobicContact CB-CG1 4.47Å; V311-V321 HydrophobicContact CG1-CG1 4.12Å; V311-V321 HydrophobicContact CG1-CG2 3.56Å; A317-V321 VanDerWaalsContact O-CG2 3.26Å; A317-V321 WeakPolarHBondContact O-CG2 3.37Å; A317-V321 PolarHBondContact O-N 3.28Å; A318-V321 PolarHBondContact O-N 3.31Å; A319-V321 PolarHBondContact O-N 2.83Å; V321-L323 VanDerWaalsContact C-N 3.32Å; V321-L323 PolarHBondContact O-N 2.98Å; V321-H324 WeakPolarHBondContact O-CB 3.35Å; V321-H324 PolarHBondContact O-N 3.45Å; V321-L325 PolarHBondContact O-N 3.19Å; V321-V341 HydrophobicContact CG1-CB 3.82Å; V321-V341 HydrophobicContact CG1-CG1 3.62Å; V321-L343 HydrophobicContact CB-CD2 3.91Å; V321-L343 HydrophobicContact CG1-CD2 3.68Å
322	A	98.7	Very high	97.6	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-64.7	-36.9	173.3	0	0	0	0	0	111.8	A318 A319 D320 L325 L343 D348 T556	A318-A322 WeakPolarHBondContact O-CB 3.46Å; A318-A322 PolarHBondContact O-N 2.95Å; A319-A322 PolarHBondContact O-N 3.34Å; D320-A322 VanDerWaalsContact C-N 3.32Å; D320-A322 PolarHBondContact O-N 2.89Å; A322-L325 WeakPolarHBondContact O-CB 3.48Å; A322-L325 PolarHBondContact O-N 3.45Å; A322-L343 HydrophobicContact CB-CD1 4Å; A322-L343 HydrophobicContact CB-CD2 4.3Å; A322-D348 HydrophobicContact CB-CB 3.84Å; A322-D348 WeakPolarHBondContact CB-OD1 2.98Å; A322-T556 HydrophobicContact CB-CG2 4.45Å
323	L	98.7	Very high	97.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-68.8	-33.6	171.9	-64.8	168.1	0	0	0	112.4	L285 A319 D320 V321 L325 L326 S327 D348 F354 P415 F421 I422 P426	L285-L323 HydrophobicContact CD1-CD1 4.25Å; A319-L323 WeakPolarHBondContact O-CG 3.17Å; A319-L323 PolarHBondContact O-N 3.43Å; D320-L323 CarbonylContact O-C 3.36Å; D320-L323 WeakPolarHBondContact O-CA 3.38Å; D320-L323 WeakPolarHBondContact O-CB 3.44Å; D320-L323 PolarHBondContact O-N 3.49Å; V321-L323 VanDerWaalsContact C-N 3.32Å; V321-L323 PolarHBondContact O-N 2.98Å; L323-L325 PolarHBondContact O-N 3.5Å; L323-L326 HydrophobicContact CD2-CD1 4.34Å; L323-L326 WeakPolarHBondContact O-CA 3.41Å; L323-L326 WeakPolarHBondContact O-CB 3.31Å; L323-L326 PolarHBondContact O-N 2.85Å; L323-S327 PolarHBondContact O-N 3.05Å; L323-S327 VanDerWaalsContact O-N 3.09Å; L323-D348 HydrophobicContact CD2-CB 3.78Å; L323-D348 HydrophobicContact CG-CB 3.98Å; L323-F354 HydrophobicContact CD1-CD2 4.4Å; L323-F354 HydrophobicContact CD2-CD2 4.02Å; L323-P415 HydrophobicContact CD1-CB 3.42Å; L323-P415 VanDerWaalsContact CD1-CB 3.42Å; L323-P415 HydrophobicContact CD1-CG 3.49Å; L323-P415 VanDerWaalsContact CD1-CG 3.49Å; L323-F421 HydrophobicContact CB-CE1 4.37Å; L323-I422 HydrophobicContact CB-CD1 4.11Å; L323-I422 HydrophobicContact CD1-CD1 3.9Å; L323-I422 HydrophobicContact CD2-CD1 3.86Å; L323-I422 HydrophobicContact CD2-CG1 4.23Å; L323-I422 HydrophobicContact CG-CD1 4.18Å; L323-P426 HydrophobicContact CD2-CB 4.33Å; L323-P426 HydrophobicContact CD2-CG 3.56Å
324	H	98.7	Very high	97.1	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.009	11%	0.114	C	C	.	.	H	α-helix	trans	-60.1	-34.3	172.4	-82.9	-75.8	0	0	0	112.1	Q288 D320 V321 L326 S327 S330 G331 F338 F421	Q288-H324 WeakPolarHBondContact CB-NE2 3.35Å; Q288-H324 PolarHBondContact OE1-CD2 3.28Å; Q288-H324 PolarHBondContact OE1-NE2 2.93Å; D320-H324 PolarHBondContact O-CD2 2.99Å; D320-H324 PolarHBondContact O-N 3.06Å; V321-H324 WeakPolarHBondContact O-CB 3.35Å; V321-H324 PolarHBondContact O-N 3.45Å; H324-L326 PolarHBondContact O-N 2.94Å; H324-S327 PolarHBondContact O-N 3.31Å; H324-S330 WeakPolarHBondContact CA-OG 3.37Å; H324-S330 WeakPolarHBondContact ND1-CB 3.28Å; H324-S330 PolarHBondContact ND1-OG 2.89Å; H324-S330 PolarHBondContact O-OG 3.37Å; H324-G331 WeakPolarHBondContact O-CA 3.2Å; H324-G331 PolarHBondContact O-N 2.68Å; H324-F338 HydrophobicContact CB-CE1 3.91Å; H324-F338 HydrophobicContact CB-CZ 3.74Å; H324-F421 AromaticContact CE1-CE2 3.72Å; H324-F421 AromaticContact CE1-CZ 3.58Å; H324-F421 AromaticContact CG-CZ 3.99Å; H324-F421 AromaticContact ND1-CE2 3.93Å; H324-F421 AromaticContact ND1-CZ 3.52Å
325	L	97.9	Very high	96.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.4	-30	171.7	-62.6	167.3	0	0	0	112.2	V321 A322 L323 F338 V341 W430 Y435 A436 I438 L440	V321-L325 PolarHBondContact O-N 3.19Å; A322-L325 WeakPolarHBondContact O-CB 3.48Å; A322-L325 PolarHBondContact O-N 3.45Å; L323-L325 PolarHBondContact O-N 3.5Å; L325-F338 HydrophobicContact CD2-CE2 3.98Å; L325-V341 HydrophobicContact CD1-CG2 4.06Å; L325-V341 HydrophobicContact CD2-CG1 3.94Å; L325-V341 HydrophobicContact CD2-CG2 3.93Å; L325-V341 HydrophobicContact CG-CG2 4.4Å; L325-W430 HydrophobicContact CB-CH2 4.28Å; L325-W430 HydrophobicContact CD1-CH2 3.89Å; L325-W430 HydrophobicContact CD1-CZ2 4.24Å; L325-Y435 CarbonylContact O-C 3.28Å; L325-Y435 VanDerWaalsContact O-CA 3.29Å; L325-Y435 WeakPolarHBondContact O-CA 3.41Å; L325-A436 HydrophobicContact CB-CB 4.44Å; L325-A436 HydrophobicContact CD2-CB 4.01Å; L325-A436 PolarHBondContact O-N 3Å; L325-I438 HydrophobicContact CD2-CD1 3.69Å; L325-I438 HydrophobicContact CD2-CG1 3.78Å; L325-L440 HydrophobicContact CD1-CD1 3.63Å
326	L	97.6	Very high	96.6	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-87.9	-21.2	-176.2	-57.7	-176.5	0	0	0	113.2	L323 H324 R332 P426 L429 W430	L323-L326 HydrophobicContact CD2-CD1 4.34Å; L323-L326 WeakPolarHBondContact O-CA 3.41Å; L323-L326 WeakPolarHBondContact O-CB 3.31Å; L323-L326 PolarHBondContact O-N 2.85Å; H324-L326 PolarHBondContact O-N 2.94Å; L326-R332 VanDerWaalsContact O-CD 3.32Å; L326-R332 WeakPolarHBondContact O-CD 3.33Å; L326-R332 PolarHBondContact O-NH1 3.26Å; L326-P426 HydrophobicContact CD1-CB 3.58Å; L326-P426 HydrophobicContact CD1-CG 4.25Å; L326-L429 HydrophobicContact CB-CB 4.41Å; L326-L429 HydrophobicContact CB-CD1 3.82Å; L326-L429 HydrophobicContact CD1-CB 4.27Å; L326-L429 HydrophobicContact CD1-CD1 4.22Å; L326-L429 HydrophobicContact CD2-CB 4.02Å; L326-L429 HydrophobicContact CG-CB 4.48Å; L326-W430 HydrophobicContact CD2-CD2 3.75Å; L326-W430 HydrophobicContact CD2-CE3 4.21Å; L326-W430 HydrophobicContact CD2-CG 4.14Å; L326-W430 HydrophobicContact CD2-CH2 4.25Å; L326-W430 HydrophobicContact CD2-CZ2 3.81Å; L326-W430 HydrophobicContact CD2-CZ3 4.45Å; L326-W430 HydrophobicContact CG-CZ2 4.34Å
327	S	97.4	Very high	96.6	Very high	1 Å²	1	29 Å²	29	1%	0.007	15%	0.146	C	C	.	.			trans	-84.2	135.2	-172	-177.8	0	0	0	0	113.4	L323 H324 K329 S330 G331 R332 F421	L323-S327 PolarHBondContact O-N 3.05Å; L323-S327 VanDerWaalsContact O-N 3.09Å; H324-S327 PolarHBondContact O-N 3.31Å; S327-K329 PolarHBondContact O-N 3.3Å; S327-K329 PolarHBondContact OG-N 3.46Å; S327-S330 PolarHBondContact O-N 3.1Å; S327-G331 PolarHBondContact O-N 3.03Å; S327-R332 WeakPolarHBondContact O-CB 3.42Å; S327-R332 PolarHBondContact O-N 3.38Å; S327-F421 VanDerWaalsContact CB-O 3.23Å; S327-F421 WeakPolarHBondContact CB-O 3.49Å; S327-F421 PolarHBondContact OG-O 2.77Å
328	E	96	Very high	96.6	Very high	98 Å²	98	29.1 Å²	29.1	46%	0.458	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-13.3	172.2	-64.7	-176.4	168	0	0	113.4	R332 R333	E328-R332 IonicContact OE1-CZ 3.53Å; E328-R332 IonicContact OE1-NH1 3.49Å; E328-R332 IonicContact OE1-NH2 2.74Å; E328-R332 PolarHBondContact OE1-NH2 2.92Å; E328-R333 WeakPolarHBondContact O-CA 3.4Å
329	K	96.4	Very high	96.5	Very high	74 Å²	74	31.2 Å²	31.2	32%	0.322	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-10.4	179.4	-50.2	-60.3	-175.3	173.7	0	113.1	W286 I289 S327 D420	W286-K329 HydrophobicContact CH2-CB 4.31Å; W286-K329 HydrophobicContact CH2-CD 4.29Å; W286-K329 HydrophobicContact CH2-CG 3.84Å; W286-K329 HydrophobicContact CZ3-CB 4.49Å; W286-K329 HydrophobicContact CZ3-CG 4.48Å; I289-K329 HydrophobicContact CD1-CB 3.55Å; S327-K329 PolarHBondContact O-N 3.3Å; S327-K329 PolarHBondContact OG-N 3.46Å; K329-D420 WeakPolarHBondContact CE-O 3.42Å; K329-D420 WeakPolarHBondContact CE-OD1 3.17Å; K329-D420 IonicContact NZ-OD1 3.65Å; K329-D420 PolarHBondContact NZ-OD1 3.2Å
330	S	96.2	Very high	96.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.4	-86.4	-175.9	56.5	0	0	0	0	113.7	H324 S327 R332 R333	H324-S330 WeakPolarHBondContact CA-OG 3.37Å; H324-S330 WeakPolarHBondContact ND1-CB 3.28Å; H324-S330 PolarHBondContact ND1-OG 2.89Å; H324-S330 PolarHBondContact O-OG 3.37Å; S327-S330 PolarHBondContact O-N 3.1Å; S330-R332 VanDerWaalsContact C-N 3.33Å; S330-R332 PolarHBondContact O-N 3.34Å; S330-R333 WeakPolarHBondContact O-CB 3.41Å; S330-R333 PolarHBondContact O-N 3.09Å
331	G	94.5	Very high	96.5	Very high	8 Å²	8	32.2 Å²	32.2	8%	0.082	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-32	-175.3	0	0	0	0	0	113.8	H324 S327 F338 A436	H324-G331 WeakPolarHBondContact O-CA 3.2Å; H324-G331 PolarHBondContact O-N 2.68Å; S327-G331 PolarHBondContact O-N 3.03Å; G331-F338 VanDerWaalsContact CA-CZ 3.47Å; G331-A436 WeakPolarHBondContact O-CB 3.42Å
332	R	94.6	Very high	96.5	Very high	58 Å²	58	32.3 Å²	32.3	22%	0.219	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	9	175.6	-62.5	167.4	59	-158	-15.5	113.4	L326 S327 E328 S330 L434 A436	L326-R332 VanDerWaalsContact O-CD 3.32Å; L326-R332 WeakPolarHBondContact O-CD 3.33Å; L326-R332 PolarHBondContact O-NH1 3.26Å; S327-R332 WeakPolarHBondContact O-CB 3.42Å; S327-R332 PolarHBondContact O-N 3.38Å; E328-R332 IonicContact OE1-CZ 3.53Å; E328-R332 IonicContact OE1-NH1 3.49Å; E328-R332 IonicContact OE1-NH2 2.74Å; E328-R332 PolarHBondContact OE1-NH2 2.92Å; S330-R332 VanDerWaalsContact C-N 3.33Å; S330-R332 PolarHBondContact O-N 3.34Å; R332-L434 WeakPolarHBondContact CD-O 3.34Å; R332-L434 PolarHBondContact NH1-O 2.7Å; R332-A436 HydrophobicContact CG-CB 4.33Å
333	R	94.6	Very high	96.5	Very high	86 Å²	86	32.3 Å²	32.3	33%	0.325	16%	0.16	S	C	.	.			trans	-67.2	152.8	175.6	-170.7	-171.9	170.5	160.3	-3.6	109.9	E293 E328 S330 P335 P336	E293-R333 IonicContact OE1-CZ 3.34Å; E293-R333 IonicContact OE1-NH1 3.71Å; E293-R333 PolarHBondContact OE1-NH1 3.06Å; E293-R333 IonicContact OE1-NH2 3.87Å; E328-R333 WeakPolarHBondContact O-CA 3.4Å; S330-R333 WeakPolarHBondContact O-CB 3.41Å; S330-R333 PolarHBondContact O-N 3.09Å; R333-P335 CarbonylContact C-O 3.46Å; R333-P335 WeakPolarHBondContact CD-O 3.43Å; R333-P335 VanDerWaalsContact CG-O 3.26Å; R333-P335 WeakPolarHBondContact CG-O 3.31Å; R333-P335 CarbonylContact O-C 3.58Å; R333-P336 WeakPolarHBondContact O-CA 3.28Å
334	N	92.1	Very high	96.5	Very high	160 Å²	160	32.3 Å²	32.3	86%	0.856	16%	0.161	S	C	*	.	S	Bend	trans	-123	113.5	168.2	-172.7	16.7	0	0	0	109.9
335	P	92.6	Very high	96.4	Very high	74 Å²	74	32.3 Å²	32.3	48%	0.481	16%	0.16	S	C	.	.	S	Bend	cis	-69.1	155	-2.8	30.6	-35.8	0	0	0	112.7	R333	R333-P335 CarbonylContact C-O 3.46Å; R333-P335 WeakPolarHBondContact CD-O 3.43Å; R333-P335 VanDerWaalsContact CG-O 3.26Å; R333-P335 WeakPolarHBondContact CG-O 3.31Å; R333-P335 CarbonylContact O-C 3.58Å
336	P	92.9	Very high	96.4	Very high	43 Å²	43	32.3 Å²	32.3	28%	0.279	16%	0.16	S	C	.	.			trans	-70.4	146.8	177.6	30	-35.3	0	0	0	111.5	R333	R333-P336 WeakPolarHBondContact O-CA 3.28Å
337	L	97.2	Very high	96.4	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.021	16%	0.16	C	C	.	.	S	Bend	trans	-82.5	-19.1	176.3	-70.9	-179.6	0	0	0	113.6	I289 L292 E293 I309	I289-L337 HydrophobicContact CG2-CD1 4.25Å; L292-L337 HydrophobicContact CB-CB 4.18Å; L292-L337 HydrophobicContact CB-CD1 4Å; L292-L337 HydrophobicContact CD1-CB 4.46Å; E293-L337 HydrophobicContact CG-CD1 4.2Å; E293-L337 HydrophobicContact CG-CD2 4.02Å; I309-L337 WeakPolarHBondContact CD1-O 3.37Å
338	F	98.1	Very high	96.4	Very high	1 Å²	1	32.1 Å²	32.1	0%	0.004	16%	0.16	C	C	.	.			trans	-154.2	160.1	179.5	58.1	-88.7	0	0	0	111	L292 I309 V311 H324 L325 G331 V341 I438	L292-F338 HydrophobicContact CD1-CD1 4.05Å; L292-F338 HydrophobicContact CD1-CE1 4.43Å; I309-F338 HydrophobicContact CB-CB 4.28Å; I309-F338 HydrophobicContact CG2-CB 3.85Å; V311-F338 HydrophobicContact CG2-CB 3.48Å; V311-F338 VanDerWaalsContact CG2-CB 3.48Å; V311-F338 HydrophobicContact CG2-CD1 4.08Å; V311-F338 HydrophobicContact CG2-CD2 4.25Å; V311-F338 HydrophobicContact CG2-CG 3.69Å; H324-F338 HydrophobicContact CB-CE1 3.91Å; H324-F338 HydrophobicContact CB-CZ 3.74Å; L325-F338 HydrophobicContact CD2-CE2 3.98Å; G331-F338 VanDerWaalsContact CA-CZ 3.47Å; F338-V341 HydrophobicContact CD2-CG1 3.58Å; F338-V341 HydrophobicContact CE2-CG1 3.37Å; F338-V341 HydrophobicContact CZ-CG1 4.41Å; F338-I438 HydrophobicContact CD2-CD1 3.61Å; F338-I438 HydrophobicContact CE2-CD1 3.55Å
339	H	97	Very high	96.4	Very high	45 Å²	45	28.7 Å²	28.7	21%	0.208	14%	0.143	C	C	.	.	S	Bend	trans	-123.1	-14.7	-164.8	-60.3	78.2	0	0	0	112.6	P306 N307 I309 I438 P439	P306-H339 PolarHBondContact O-CE1 3.47Å; P306-H339 VanDerWaalsContact O-CE1 3.27Å; N307-H339 VanDerWaalsContact CA-CE1 3.5Å; N307-H339 WeakPolarHBondContact CA-CE1 3.11Å; N307-H339 PolarHBondContact O-CD2 3.4Å; N307-H339 PolarHBondContact O-ND1 3.25Å; I309-H339 PolarHBondContact O-N 2.82Å; H339-I438 WeakPolarHBondContact O-CB 3.47Å; H339-P439 WeakPolarHBondContact O-CD 3.47Å
340	R	97.6	Very high	96.4	Very high	21 Å²	21	25.5 Å²	25.5	8%	0.079	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	152.9	179.1	-54.6	177.6	-171.3	90	0.8	109.4	I309 T310 V311 P439 F663 A664 S667	I309-R340 PolarHBondContact O-N 2.75Å; T310-R340 WeakPolarHBondContact CA-O 3.38Å; T310-R340 HydrophobicContact CG2-CB 3.95Å; V311-R340 PolarHBondContact N-O 3.04Å; R340-P439 WeakPolarHBondContact CA-O 3.49Å; R340-P439 HydrophobicContact CG-CB 4.32Å; R340-P439 HydrophobicContact CG-CG 4.42Å; R340-F663 HydrophobicContact CB-CE1 3.73Å; R340-F663 HydrophobicContact CB-CZ 3.98Å; R340-F663 VanDerWaalsContact CD-O 3.22Å; R340-F663 WeakPolarHBondContact CD-O 3.34Å; R340-F663 HydrophobicContact CG-CE1 4.45Å; R340-F663 HydrophobicContact CG-CZ 4.47Å; R340-F663 PolarHBondContact NE-O 2.79Å; R340-A664 PolarHBondContact NH1-O 3.5Å; R340-S667 PolarHBondContact NE-OG 3Å; R340-S667 PolarHBondContact NH2-OG 3.32Å
341	V	98.5	Very high	96.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	149.3	176	-63.9	0	0	0	0	112.6	V311 V321 L325 F338 I438 P439 L440 I441	V311-V341 HydrophobicContact CB-CG1 4.48Å; V311-V341 CarbonylContact O-C 3.57Å; V311-V341 VanDerWaalsContact O-CA 3.23Å; V311-V341 WeakPolarHBondContact O-CA 3.33Å; V321-V341 HydrophobicContact CG1-CB 3.82Å; V321-V341 HydrophobicContact CG1-CG1 3.62Å; L325-V341 HydrophobicContact CD1-CG2 4.06Å; L325-V341 HydrophobicContact CD2-CG1 3.94Å; L325-V341 HydrophobicContact CD2-CG2 3.93Å; L325-V341 HydrophobicContact CG-CG2 4.4Å; F338-V341 HydrophobicContact CD2-CG1 3.58Å; F338-V341 HydrophobicContact CE2-CG1 3.37Å; F338-V341 HydrophobicContact CZ-CG1 4.41Å; V341-I438 HydrophobicContact CG1-CD1 4.13Å; V341-P439 PolarHBondContact N-O 3.49Å; V341-L440 HydrophobicContact CG2-CB 3.81Å; V341-L440 HydrophobicContact CG2-CD1 3.73Å; V341-L440 HydrophobicContact CG2-CG 3.64Å; V341-L440 WeakPolarHBondContact O-CA 3.48Å; V341-I441 PolarHBondContact O-N 2.9Å
342	I	98.7	Very high	96	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	119.8	168.9	-52.1	-173.8	0	0	0	108.1	T310 V311 I312 G313 M344 I441 I660 F663	T310-I342 HydrophobicContact CG2-CD1 4.38Å; T310-I342 HydrophobicContact CG2-CG1 4.21Å; V311-I342 PolarHBondContact O-N 2.89Å; I312-I342 WeakPolarHBondContact CA-O 3.22Å; I312-I342 HydrophobicContact CB-CB 4.38Å; I312-I342 HydrophobicContact CD1-CD1 3.98Å; I312-I342 HydrophobicContact CG1-CB 4.01Å; I312-I342 HydrophobicContact CG1-CD1 4.07Å; I312-I342 HydrophobicContact CG1-CG1 4.18Å; I312-I342 HydrophobicContact CG2-CB 4.16Å; I312-I342 HydrophobicContact CG2-CG2 4.37Å; G313-I342 PolarHBondContact N-O 3.46Å; I342-M344 HydrophobicContact CG2-CG 3.83Å; I342-I441 CarbonylContact C-O 3.53Å; I342-I441 VanDerWaalsContact CA-O 3.27Å; I342-I441 WeakPolarHBondContact CA-O 3.46Å; I342-I441 HydrophobicContact CB-CB 4.47Å; I342-I441 HydrophobicContact CD1-CD1 4.29Å; I342-I441 HydrophobicContact CG1-CB 4.18Å; I342-I441 HydrophobicContact CG1-CD1 4.48Å; I342-I441 HydrophobicContact CG2-CB 4.12Å; I342-I441 HydrophobicContact CG2-CG2 4.2Å; I342-I660 HydrophobicContact CD1-CD1 3.48Å; I342-I660 VanDerWaalsContact CD1-CD1 3.48Å; I342-I660 HydrophobicContact CD1-CG2 4.47Å; I342-F663 HydrophobicContact CD1-CD1 3.78Å; I342-F663 HydrophobicContact CD1-CE1 4.14Å; I342-F663 HydrophobicContact CG1-CD1 3.91Å; I342-F663 HydrophobicContact CG1-CE1 3.72Å
343	L	98.8	Very high	96	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	105.7	176.8	-50.9	-174	0	0	0	108.5	A318 V321 A322 L440 I441 G442 G443 L553 T556	A318-L343 HydrophobicContact CB-CB 4.23Å; A318-L343 WeakPolarHBondContact O-CD2 3.42Å; V321-L343 HydrophobicContact CB-CD2 3.91Å; V321-L343 HydrophobicContact CG1-CD2 3.68Å; A322-L343 HydrophobicContact CB-CD1 4Å; A322-L343 HydrophobicContact CB-CD2 4.3Å; L343-L440 HydrophobicContact CD1-CD1 4.05Å; L343-L440 HydrophobicContact CD1-CD2 4.5Å; L343-L440 HydrophobicContact CG-CD1 4.43Å; L343-I441 PolarHBondContact N-O 2.85Å; L343-G442 CarbonylContact O-C 3.59Å; L343-G442 WeakPolarHBondContact O-CA 3.33Å; L343-G443 PolarHBondContact O-N 3.17Å; L343-L553 HydrophobicContact CB-CD1 4.35Å; L343-T556 HydrophobicContact CD1-CG2 4.15Å
344	M	98.4	Very high	96	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	116.3	179.2	-57	-178.6	65.5	0	0	109.9	I312 G313 H314 G315 I342 G346 E609 L610 L613	I312-M344 HydrophobicContact CG2-CG 4.11Å; I312-M344 HydrophobicContact CG2-SD 3.59Å; I312-M344 VanDerWaalsContact CG2-SD 3.59Å; G313-M344 WeakPolarHBondContact O-CB 3.47Å; G313-M344 PolarHBondContact O-N 3.02Å; H314-M344 CarbonylContact C-O 3.25Å; H314-M344 WeakPolarHBondContact CA-O 3.32Å; G315-M344 PolarHBondContact N-O 2.81Å; I342-M344 HydrophobicContact CG2-CG 3.83Å; M344-G346 PolarHBondContact O-N 3.41Å; M344-E609 HydrophobicContact CE-CG 3.38Å; M344-L610 HydrophobicContact CE-CD2 3.93Å; M344-L610 HydrophobicContact SD-CD2 4.33Å; M344-L613 HydrophobicContact CE-CD2 4.05Å; M344-L613 HydrophobicContact SD-CD2 3.7Å
345	S	97.9	Very high	96	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.007	7%	0.071	C	C	.	.	S	Bend	trans	58.8	34	170.3	-53.2	0	0	0	0	113	G315 G443 D448 I549 E609	G315-S345 WeakPolarHBondContact CA-O 3.03Å; S345-G443 PolarHBondContact N-O 2.92Å; S345-D448 WeakPolarHBondContact CB-OD1 3.39Å; S345-D448 VanDerWaalsContact CB-OD2 3.31Å; S345-D448 WeakPolarHBondContact CB-OD2 3.26Å; S345-D448 PolarHBondContact OG-OD2 2.86Å; S345-I549 WeakPolarHBondContact O-CD1 3.45Å; S345-E609 PolarHBondContact OG-OE1 3.28Å
346	G	97.7	Very high	95.7	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.069	C	C	.	.			trans	179.4	166	176.7	0	0	0	0	0	114.8	A318 M344 M350	A318-G346 VanDerWaalsContact CB-O 3.31Å; A318-G346 WeakPolarHBondContact CB-O 3.19Å; M344-G346 PolarHBondContact O-N 3.41Å; G346-M350 WeakPolarHBondContact CA-SD 3.23Å
347	S	97.9	Very high	95.3	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.07	C	C	.	.			trans	-168.1	170.7	178.1	65.8	0	0	0	0	111.7	A319 Q349 M350 G552 L553 T556	A319-S347 VanDerWaalsContact CA-C 3.43Å; A319-S347 VanDerWaalsContact CB-C 3.47Å; A319-S347 WeakPolarHBondContact CB-O 3.32Å; S347-Q349 VanDerWaalsContact C-N 3.29Å; S347-Q349 PolarHBondContact O-N 3.38Å; S347-M350 PolarHBondContact N-SD 3.04Å; S347-M350 VanDerWaalsContact N-SD 3.44Å; S347-M350 VanDerWaalsContact O-CB 3.32Å; S347-M350 WeakPolarHBondContact O-CB 3.33Å; S347-M350 WeakPolarHBondContact O-CG 3.37Å; S347-M350 PolarHBondContact O-N 2.03Å; S347-G552 PolarHBondContact OG-O 2.61Å; S347-L553 VanDerWaalsContact OG-CA 3.25Å; S347-L553 WeakPolarHBondContact OG-CA 3.43Å; S347-L553 PolarHBondContact OG-N 2.96Å; S347-L553 VanDerWaalsContact OG-N 3.11Å; S347-T556 WeakPolarHBondContact CB-OG1 3.35Å; S347-T556 PolarHBondContact OG-OG1 2.96Å
348	D	97.4	Very high	94.4	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-27.9	179.8	62.7	-61	0	0	0	114.1	A322 L323 M350 P426 W430 T556	A322-D348 HydrophobicContact CB-CB 3.84Å; A322-D348 WeakPolarHBondContact CB-OD1 2.98Å; L323-D348 HydrophobicContact CD2-CB 3.78Å; L323-D348 HydrophobicContact CG-CB 3.98Å; D348-M350 VanDerWaalsContact C-N 3.33Å; D348-P426 HydrophobicContact CB-CB 4.3Å; D348-P426 WeakPolarHBondContact OD2-CB 3.36Å; D348-W430 PolarHBondContact OD1-NE1 3.18Å; D348-W430 PolarHBondContact OD2-NE1 3.21Å; D348-T556 VanDerWaalsContact OD1-CG2 3.27Å; D348-T556 WeakPolarHBondContact OD1-CG2 2.96Å; D348-T556 PolarHBondContact OD1-OG1 2.98Å
349	Q	96.2	Very high	93.8	Very high	25 Å²	25	21.9 Å²	21.9	12%	0.117	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-1.3	179.4	-58.5	-60.5	-52.5	0	0	113.3	S347 P426 G552 Q555 T556 Y559	S347-Q349 VanDerWaalsContact C-N 3.29Å; S347-Q349 PolarHBondContact O-N 3.38Å; Q349-P426 VanDerWaalsContact NE2-CB 3.3Å; Q349-G552 WeakPolarHBondContact CB-O 3.42Å; Q349-G552 WeakPolarHBondContact O-CA 3.33Å; Q349-Q555 HydrophobicContact CB-CB 4.18Å; Q349-Q555 HydrophobicContact CG-CB 4.24Å; Q349-Q555 HydrophobicContact CG-CG 4.35Å; Q349-T556 WeakPolarHBondContact CG-OG1 3.19Å; Q349-Y559 HydrophobicContact CG-CD2 4.37Å; Q349-Y559 HydrophobicContact CG-CE2 4.06Å
350	M	94.7	Very high	93.4	Very high	8 Å²	8	19.7 Å²	19.7	4%	0.039	11%	0.107	C	C	.	.	S	Bend	trans	-74.6	158	179.7	95.7	-175.7	-179	0	0	111.2	A319 G346 S347 D348 G352 G353 F548 I549	A319-M350 HydrophobicContact CB-CE 3.98Å; A319-M350 HydrophobicContact CB-SD 4.42Å; G346-M350 WeakPolarHBondContact CA-SD 3.23Å; S347-M350 PolarHBondContact N-SD 3.04Å; S347-M350 VanDerWaalsContact N-SD 3.44Å; S347-M350 VanDerWaalsContact O-CB 3.32Å; S347-M350 WeakPolarHBondContact O-CB 3.33Å; S347-M350 WeakPolarHBondContact O-CG 3.37Å; S347-M350 PolarHBondContact O-N 2.03Å; D348-M350 VanDerWaalsContact C-N 3.33Å; M350-G352 PolarHBondContact O-N 2.81Å; M350-G353 PolarHBondContact O-N 3.2Å; M350-F548 VanDerWaalsContact CB-O 3.26Å; M350-F548 WeakPolarHBondContact CB-O 3.26Å; M350-I549 HydrophobicContact SD-CD1 3.79Å
351	E	91.3	Very high	93.1	Very high	33 Å²	33	19.1 Å²	19.1	15%	0.154	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	116.5	174.4	168.7	162.8	177.4	0	0	110.2	L409 R547 F548	E351-L409 WeakPolarHBondContact CG-O 3.42Å; E351-R547 IonicContact OE1-CZ 3.93Å; E351-R547 IonicContact OE1-NE 3.45Å; E351-R547 IonicContact OE1-NH2 3.69Å; E351-R547 PolarHBondContact OE1-NH2 3.3Å; E351-R547 WeakPolarHBondContact OE2-CG 3.33Å; E351-R547 IonicContact OE2-CZ 2.82Å; E351-R547 IonicContact OE2-NE 3.91Å; E351-R547 PolarHBondContact OE2-NE 2.97Å; E351-R547 IonicContact OE2-NH2 2.66Å; E351-R547 PolarHBondContact OE2-NH2 2.93Å; E351-F548 HydrophobicContact CB-CD1 3.88Å; E351-F548 HydrophobicContact CB-CE1 4.15Å; E351-F548 HydrophobicContact CG-CD1 3.72Å; E351-F548 HydrophobicContact CG-CE1 3.48Å; E351-F548 VanDerWaalsContact CG-CE1 3.48Å; E351-F548 HydrophobicContact CG-CZ 4.37Å; E351-F548 PolarHBondContact N-O 3.41Å; E351-F548 WeakPolarHBondContact OE1-CE1 3.27Å
352	G	91.2	Very high	92.8	Very high	3 Å²	3	20.8 Å²	20.8	3%	0.031	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	1.2	-169.1	0	0	0	0	0	114.8	H222 M350 T410 A414	H222-G352 PolarHBondContact CE1-O 2.78Å; H222-G352 PolarHBondContact ND1-O 3.07Å; M350-G352 PolarHBondContact O-N 2.81Å; G352-T410 WeakPolarHBondContact CA-OG1 3.44Å; G352-A414 WeakPolarHBondContact O-CB 3.49Å
353	G	95.3	Very high	92.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-31.1	173.8	0	0	0	0	0	113.6	M350	M350-G353 PolarHBondContact O-N 3.2Å
354	F	95.1	Very high	92.3	Very high	3 Å²	3	21.5 Å²	21.5	1%	0.013	12%	0.12	C	C	.	.	S	Bend	trans	-156.2	146.7	176.8	-177.6	-99	0	0	0	110.2	L323 Q356 T410 P415 T416 L417 I422 P426	L323-F354 HydrophobicContact CD1-CD2 4.4Å; L323-F354 HydrophobicContact CD2-CD2 4.02Å; F354-Q356 PolarHBondContact O-N 3.45Å; F354-T410 PolarHBondContact O-OG1 2.95Å; F354-P415 CarbonylContact C-O 3.55Å; F354-P415 WeakPolarHBondContact CA-O 3.32Å; F354-P415 HydrophobicContact CD2-CB 4.26Å; F354-P415 WeakPolarHBondContact CD2-O 3.49Å; F354-T416 VanDerWaalsContact CE2-C 3.49Å; F354-L417 HydrophobicContact CZ-CB 4Å; F354-I422 HydrophobicContact CD2-CD1 4.38Å; F354-I422 HydrophobicContact CE2-CB 4.5Å; F354-I422 HydrophobicContact CE2-CD1 4.07Å; F354-I422 HydrophobicContact CE2-CG2 3.88Å; F354-I422 HydrophobicContact CZ-CG2 4.17Å; F354-P426 HydrophobicContact CB-CG 4.06Å; F354-P426 HydrophobicContact CD1-CG 3.8Å; F354-P426 HydrophobicContact CD2-CG 3.86Å; F354-P426 HydrophobicContact CE1-CG 4.17Å; F354-P426 HydrophobicContact CE2-CG 4.24Å; F354-P426 HydrophobicContact CG-CG 3.63Å; F354-P426 HydrophobicContact CZ-CG 4.37Å
355	V	92	Very high	92.1	Very high	6 Å²	6	21.5 Å²	21.5	4%	0.036	12%	0.12	C	C	.	.			trans	-74	121.9	176.1	171.8	0	0	0	0	110.7	N357 E360 A414 P415	V355-N357 WeakPolarHBondContact CG1-O 3.46Å; V355-E360 HydrophobicContact CG1-CB 3.73Å; V355-E360 HydrophobicContact CG1-CG 4.09Å; V355-A414 HydrophobicContact CG2-CB 3.99Å; V355-P415 WeakPolarHBondContact CG2-O 3.36Å; V355-P415 PolarHBondContact N-O 3.2Å
356	Q	85.4	Confident	92	Very high	95 Å²	95	25 Å²	25	44%	0.444	14%	0.135	S	C	.	.	S	Bend	trans	-83.5	-35.4	-174.7	-62.5	-64.5	-15.6	0	0	113	F354	F354-Q356 PolarHBondContact O-N 3.45Å
357	N	85.8	Confident	91.9	Very high	59 Å²	59	28.2 Å²	28.2	32%	0.316	15%	0.15	S	C	.	.	S	Bend	trans	-108.9	136.9	179	-51.2	-83.3	0	0	0	111.6	V355 N359 E360 N407	V355-N357 WeakPolarHBondContact CG1-O 3.46Å; N357-N359 PolarHBondContact O-N 3.28Å; N357-E360 HydrophobicContact CB-CG 3.81Å; N357-E360 WeakPolarHBondContact CB-OE1 3.44Å; N357-E360 PolarHBondContact N-OE1 3.1Å; N357-E360 PolarHBondContact ND2-OE1 3.29Å; N357-E360 WeakPolarHBondContact O-CG 3.19Å; N357-E360 PolarHBondContact O-N 3.24Å; N357-N407 PolarHBondContact ND2-O 3.34Å; N357-N407 VanDerWaalsContact ND2-O 3.15Å
358	A	77.6	Confident	91.9	Very high	55 Å²	55	28.2 Å²	28.2	46%	0.455	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-23.1	-174.1	0	0	0	0	0	114.8
359	N	84.8	Confident	91.9	Very high	103 Å²	103	28.2 Å²	28.2	55%	0.551	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-8.2	-174.6	-63.5	-9.4	0	0	0	113.7	N357 A363 W408	N357-N359 PolarHBondContact O-N 3.28Å; N359-A363 PolarHBondContact O-N 3.22Å; N359-W408 HydrophobicContact CB-CZ2 4.37Å
360	E	89.8	Confident	91.9	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-68.5	-47	-172.4	-55.9	-168.1	-133.6	0	0	111.8	V355 N357 E362 A363 Y364 W408 T410	V355-E360 HydrophobicContact CG1-CB 3.73Å; V355-E360 HydrophobicContact CG1-CG 4.09Å; N357-E360 HydrophobicContact CB-CG 3.81Å; N357-E360 WeakPolarHBondContact CB-OE1 3.44Å; N357-E360 PolarHBondContact N-OE1 3.1Å; N357-E360 PolarHBondContact ND2-OE1 3.29Å; N357-E360 WeakPolarHBondContact O-CG 3.19Å; N357-E360 PolarHBondContact O-N 3.24Å; E360-E362 VanDerWaalsContact C-N 3.3Å; E360-E362 PolarHBondContact O-N 2.9Å; E360-A363 WeakPolarHBondContact O-CB 3.42Å; E360-A363 PolarHBondContact O-N 3.12Å; E360-Y364 HydrophobicContact CB-CD2 4.29Å; E360-Y364 HydrophobicContact CB-CE2 3.77Å; E360-Y364 WeakPolarHBondContact O-CD2 3.48Å; E360-Y364 PolarHBondContact O-N 3.29Å; E360-Y364 PolarHBondContact OE2-OH 2.89Å; E360-W408 HydrophobicContact CB-CD2 4.44Å; E360-W408 HydrophobicContact CB-CE3 4.32Å; E360-W408 HydrophobicContact CB-CH2 4.45Å; E360-W408 HydrophobicContact CB-CZ3 4.32Å; E360-W408 HydrophobicContact CG-CD2 3.58Å; E360-W408 HydrophobicContact CG-CE3 3.93Å; E360-W408 HydrophobicContact CG-CG 3.97Å; E360-W408 HydrophobicContact CG-CH2 4.24Å; E360-W408 HydrophobicContact CG-CZ2 3.93Å; E360-W408 HydrophobicContact CG-CZ3 4.25Å; E360-T410 VanDerWaalsContact CD-CG2 3.45Å; E360-T410 WeakPolarHBondContact OE2-CG2 3.34Å
361	S	91.6	Very high	92	Very high	9 Å²	9	37 Å²	37	6%	0.063	19%	0.186	C	C	.	.	H	α-helix	trans	-57.7	-42.9	-178.6	-48.1	0	0	0	0	111.9	A256 Y364 A365 T416	A256-S361 CarbonylContact O-C 3.59Å; A256-S361 VanDerWaalsContact O-C 3.28Å; S361-Y364 PolarHBondContact O-N 2.84Å; S361-A365 WeakPolarHBondContact O-CB 3.15Å; S361-A365 PolarHBondContact O-N 3.17Å; S361-T416 WeakPolarHBondContact OG-CB 3.23Å; S361-T416 PolarHBondContact OG-OG1 3.12Å
362	E	91.7	Very high	92.3	Very high	34 Å²	34	36.1 Å²	36.1	16%	0.159	18%	0.183	C	C	.	.	H	α-helix	trans	-66.9	-39.2	176.6	-172.7	-176.4	166.2	0	0	111.8	A256 I257 E360 A365 K366	A256-E362 PolarHBondContact O-N 2.98Å; I257-E362 HydrophobicContact CG2-CG 4.39Å; E360-E362 VanDerWaalsContact C-N 3.3Å; E360-E362 PolarHBondContact O-N 2.9Å; E362-A365 PolarHBondContact O-N 2.78Å; E362-K366 HydrophobicContact CG-CD 4.48Å; E362-K366 WeakPolarHBondContact O-CG 3.25Å; E362-K366 PolarHBondContact O-N 3.15Å; E362-K366 WeakPolarHBondContact OE1-CE 3.19Å; E362-K366 IonicContact OE1-NZ 2.78Å; E362-K366 PolarHBondContact OE1-NZ 3.31Å
363	A	92.4	Very high	92.6	Very high	14 Å²	14	38.5 Å²	38.5	12%	0.116	21%	0.207	C	C	.	.	H	α-helix	trans	-64.3	-43.3	176.5	0	0	0	0	0	111.7	N359 E360 A365 K366 Q367 I403 W408	N359-A363 PolarHBondContact O-N 3.22Å; E360-A363 WeakPolarHBondContact O-CB 3.42Å; E360-A363 PolarHBondContact O-N 3.12Å; A363-A365 VanDerWaalsContact C-N 3.34Å; A363-A365 PolarHBondContact O-N 2.74Å; A363-K366 PolarHBondContact O-N 2.76Å; A363-Q367 PolarHBondContact O-N 3.36Å; A363-I403 HydrophobicContact CB-CD1 3.87Å; A363-I403 WeakPolarHBondContact O-CD1 3.42Å; A363-W408 HydrophobicContact CB-CH2 3.48Å; A363-W408 VanDerWaalsContact CB-CH2 3.48Å; A363-W408 HydrophobicContact CB-CZ3 3.67Å
364	Y	94.2	Very high	92.7	Very high	3 Å²	3	38.9 Å²	38.9	1%	0.012	21%	0.209	C	C	.	.	H	α-helix	trans	-61.8	-41.3	173.9	-62.9	-49	0	0	0	111.9	E360 S361 K366 Q367 L368 T401 I403 T410 P412	E360-Y364 HydrophobicContact CB-CD2 4.29Å; E360-Y364 HydrophobicContact CB-CE2 3.77Å; E360-Y364 WeakPolarHBondContact O-CD2 3.48Å; E360-Y364 PolarHBondContact O-N 3.29Å; E360-Y364 PolarHBondContact OE2-OH 2.89Å; S361-Y364 PolarHBondContact O-N 2.84Å; Y364-K366 PolarHBondContact O-N 3.45Å; Y364-Q367 PolarHBondContact O-N 3.28Å; Y364-L368 WeakPolarHBondContact O-CB 3.39Å; Y364-L368 PolarHBondContact O-N 3.44Å; Y364-T401 HydrophobicContact CD1-CG2 4.14Å; Y364-I403 HydrophobicContact CD1-CB 4.08Å; Y364-I403 HydrophobicContact CD1-CD1 3.78Å; Y364-I403 HydrophobicContact CD1-CG1 3.92Å; Y364-I403 HydrophobicContact CE1-CB 3.76Å; Y364-I403 HydrophobicContact CE1-CD1 4.31Å; Y364-I403 HydrophobicContact CE1-CG1 4.13Å; Y364-T410 PolarHBondContact OH-O 2.64Å; Y364-P412 HydrophobicContact CD1-CB 3.74Å; Y364-P412 HydrophobicContact CD1-CG 3.78Å; Y364-P412 HydrophobicContact CD2-CB 3.98Å; Y364-P412 HydrophobicContact CE1-CB 4.03Å; Y364-P412 HydrophobicContact CE1-CG 3.7Å; Y364-P412 HydrophobicContact CE2-CB 4.27Å; Y364-P412 HydrophobicContact CG-CB 3.72Å; Y364-P412 HydrophobicContact CG-CG 4.29Å
365	A	95	Very high	92.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.1	-43.7	175.2	0	0	0	0	0	112.1	L255 I257 S361 E362 A363 L368 A369	L255-A365 HydrophobicContact CD1-CB 4.36Å; L255-A365 HydrophobicContact CG-CB 4.22Å; I257-A365 HydrophobicContact CG1-CB 3.95Å; S361-A365 WeakPolarHBondContact O-CB 3.15Å; S361-A365 PolarHBondContact O-N 3.17Å; E362-A365 PolarHBondContact O-N 2.78Å; A363-A365 VanDerWaalsContact C-N 3.34Å; A363-A365 PolarHBondContact O-N 2.74Å; A365-L368 PolarHBondContact O-N 3.28Å; A365-A369 WeakPolarHBondContact O-CB 3.36Å; A365-A369 PolarHBondContact O-N 2.85Å
366	K	95.3	Very high	92.7	Very high	75 Å²	75	43.6 Å²	43.6	33%	0.326	24%	0.236	S	C	.	.	H	α-helix	trans	-63.8	-43.6	175.3	-74.7	175.8	-177.8	168.5	0	112.2	E362 A363 Y364 A369 Y370 M382	E362-K366 HydrophobicContact CG-CD 4.48Å; E362-K366 WeakPolarHBondContact O-CG 3.25Å; E362-K366 PolarHBondContact O-N 3.15Å; E362-K366 WeakPolarHBondContact OE1-CE 3.19Å; E362-K366 IonicContact OE1-NZ 2.78Å; E362-K366 PolarHBondContact OE1-NZ 3.31Å; A363-K366 PolarHBondContact O-N 2.76Å; Y364-K366 PolarHBondContact O-N 3.45Å; K366-A369 WeakPolarHBondContact O-CB 3.27Å; K366-A369 PolarHBondContact O-N 3.06Å; K366-Y370 WeakPolarHBondContact O-CD2 3.44Å; K366-Y370 PolarHBondContact O-N 2.88Å; K366-M382 HydrophobicContact CG-CE 4.49Å; K366-M382 HydrophobicContact CG-SD 3.86Å
367	Q	95.6	Very high	92.9	Very high	68 Å²	68	43.6 Å²	43.6	32%	0.318	25%	0.246	S	C	.	.	H	α-helix	trans	-64.1	-42.4	177.9	-178.2	64.2	12.9	0	0	111.8	A363 Y364 A369 Y370 Q371 T401 I403	A363-Q367 PolarHBondContact O-N 3.36Å; Y364-Q367 PolarHBondContact O-N 3.28Å; Q367-A369 VanDerWaalsContact C-N 3.34Å; Q367-Y370 PolarHBondContact O-N 2.82Å; Q367-Q371 VanDerWaalsContact O-CG 3.26Å; Q367-Q371 WeakPolarHBondContact O-CG 3.3Å; Q367-Q371 PolarHBondContact O-N 2.89Å; Q367-T401 HydrophobicContact CB-CG2 4.06Å; Q367-T401 HydrophobicContact CG-CG2 3.97Å; Q367-I403 HydrophobicContact CB-CD1 3.56Å; Q367-I403 HydrophobicContact CB-CG1 3.97Å; Q367-I403 HydrophobicContact CG-CD1 4.18Å; Q367-I403 HydrophobicContact CG-CG1 4.02Å
368	L	97.2	Very high	93.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-59	-47	172.4	174	66.1	0	0	0	110.8	P251 L255 Y364 A365 Y370 Q371 V372 L386 I394 A397 A398 W413	P251-L368 HydrophobicContact CB-CD2 3.68Å; P251-L368 HydrophobicContact CG-CD2 4.02Å; L255-L368 HydrophobicContact CD1-CD2 3.83Å; Y364-L368 WeakPolarHBondContact O-CB 3.39Å; Y364-L368 PolarHBondContact O-N 3.44Å; A365-L368 PolarHBondContact O-N 3.28Å; L368-Y370 PolarHBondContact O-N 3.37Å; L368-Q371 WeakPolarHBondContact O-CB 3.43Å; L368-Q371 PolarHBondContact O-N 3.13Å; L368-Q371 VanDerWaalsContact O-N 3.11Å; L368-V372 HydrophobicContact CD1-CG1 4.35Å; L368-V372 WeakPolarHBondContact O-CG2 3.41Å; L368-V372 PolarHBondContact O-N 2.86Å; L368-L386 HydrophobicContact CD2-CD2 4.23Å; L368-L386 HydrophobicContact CG-CD2 4.17Å; L368-I394 HydrophobicContact CD2-CG2 4.27Å; L368-A397 HydrophobicContact CD1-CB 3.57Å; L368-A398 HydrophobicContact CD1-CB 4.32Å; L368-W413 HydrophobicContact CB-CH2 3.93Å; L368-W413 HydrophobicContact CB-CZ2 4.41Å; L368-W413 HydrophobicContact CD2-CH2 3.59Å; L368-W413 HydrophobicContact CD2-CZ2 4.24Å; L368-W413 HydrophobicContact CD2-CZ3 4.33Å; L368-W413 HydrophobicContact CG-CH2 4.27Å
369	A	97.6	Very high	93.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-57	-46.4	177.7	0	0	0	0	0	111.9	A365 K366 Q367 Q371 V372 G373 C374 V376 M382 L386	A365-A369 WeakPolarHBondContact O-CB 3.36Å; A365-A369 PolarHBondContact O-N 2.85Å; K366-A369 WeakPolarHBondContact O-CB 3.27Å; K366-A369 PolarHBondContact O-N 3.06Å; Q367-A369 VanDerWaalsContact C-N 3.34Å; A369-Q371 VanDerWaalsContact C-N 3.35Å; A369-Q371 PolarHBondContact O-N 2.87Å; A369-V372 CarbonylContact O-C 3.57Å; A369-V372 WeakPolarHBondContact O-CG2 3.38Å; A369-V372 PolarHBondContact O-N 3.49Å; A369-G373 PolarHBondContact O-N 2.78Å; A369-G373 VanDerWaalsContact O-N 3.14Å; A369-C374 HydrophobicContact CB-CB 3.91Å; A369-C374 WeakPolarHBondContact O-CB 3.43Å; A369-C374 PolarHBondContact O-N 3.24Å; A369-V376 HydrophobicContact CB-CG1 3.65Å; A369-M382 HydrophobicContact CB-CG 3.54Å; A369-M382 HydrophobicContact CB-SD 3.82Å; A369-L386 HydrophobicContact CB-CD1 4.38Å; A369-L386 HydrophobicContact CB-CD2 4.3Å; A369-L386 HydrophobicContact CB-CG 4.4Å
370	Y	97	Very high	94.1	Very high	147 Å²	147	43.5 Å²	43.5	58%	0.576	23%	0.231	S	C	*	.	H	α-helix	trans	-59	-44.4	173.7	-75.7	-58.1	0	0	0	112.5	K366 Q367 L368 V372 G373 V376	K366-Y370 WeakPolarHBondContact O-CD2 3.44Å; K366-Y370 PolarHBondContact O-N 2.88Å; Q367-Y370 PolarHBondContact O-N 2.82Å; L368-Y370 PolarHBondContact O-N 3.37Å; Y370-V372 PolarHBondContact O-N 2.97Å; Y370-G373 PolarHBondContact O-N 2.97Å; Y370-V376 HydrophobicContact CD1-CG1 4.42Å; Y370-V376 HydrophobicContact CD1-CG2 4.47Å; Y370-V376 HydrophobicContact CD2-CG1 4.5Å; Y370-V376 HydrophobicContact CE1-CG1 4.29Å; Y370-V376 HydrophobicContact CE1-CG2 3.58Å; Y370-V376 HydrophobicContact CE2-CG1 4.36Å; Y370-V376 HydrophobicContact CE2-CG2 3.92Å; Y370-V376 WeakPolarHBondContact OH-CG2 3.45Å
371	Q	96.6	Very high	94.2	Very high	70 Å²	70	45.5 Å²	45.5	33%	0.327	25%	0.245	S	C	.	.	H	α-helix	trans	-62.9	-28.9	-179.2	-74.2	173.5	-36.2	0	0	113.2	Q367 L368 A369 A397 K400 T401	Q367-Q371 VanDerWaalsContact O-CG 3.26Å; Q367-Q371 WeakPolarHBondContact O-CG 3.3Å; Q367-Q371 PolarHBondContact O-N 2.89Å; L368-Q371 WeakPolarHBondContact O-CB 3.43Å; L368-Q371 PolarHBondContact O-N 3.13Å; L368-Q371 VanDerWaalsContact O-N 3.11Å; A369-Q371 VanDerWaalsContact C-N 3.35Å; A369-Q371 PolarHBondContact O-N 2.87Å; Q371-A397 HydrophobicContact CB-CB 3.96Å; Q371-A397 PolarHBondContact OE1-O 2.84Å; Q371-K400 PolarHBondContact NE2-O 2.95Å; Q371-T401 PolarHBondContact OE1-OG1 3.18Å
372	V	97	Very high	94.4	Very high	15 Å²	15	45.2 Å²	45.2	9%	0.091	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	12.9	176.1	-55.4	0	0	0	0	113	L368 A369 Y370 C374 L386 R389 A397	L368-V372 HydrophobicContact CD1-CG1 4.35Å; L368-V372 WeakPolarHBondContact O-CG2 3.41Å; L368-V372 PolarHBondContact O-N 2.86Å; A369-V372 CarbonylContact O-C 3.57Å; A369-V372 WeakPolarHBondContact O-CG2 3.38Å; A369-V372 PolarHBondContact O-N 3.49Å; Y370-V372 PolarHBondContact O-N 2.97Å; V372-C374 HydrophobicContact CG2-CB 4.36Å; V372-C374 PolarHBondContact O-N 2.86Å; V372-L386 HydrophobicContact CG2-CD2 3.84Å; V372-R389 HydrophobicContact CB-CG 4.13Å; V372-R389 HydrophobicContact CG2-CG 3.9Å; V372-R389 PolarHBondContact O-NE 3.36Å; V372-R389 PolarHBondContact O-NH2 2.87Å; V372-A397 HydrophobicContact CG1-CB 3.6Å
373	G	97.1	Very high	94.5	Very high	53 Å²	53	43.6 Å²	43.6	55%	0.546	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	36.4	176.5	0	0	0	0	0	113.7	A369 Y370 R389	A369-G373 PolarHBondContact O-N 2.78Å; A369-G373 VanDerWaalsContact O-N 3.14Å; Y370-G373 PolarHBondContact O-N 2.97Å; G373-R389 PolarHBondContact O-NH2 2.75Å
374	C	97.8	Very high	94.6	Very high	7 Å²	7	46.5 Å²	46.5	5%	0.047	25%	0.249	C	C	.	.			trans	-93.6	143.4	171.6	-72.5	0	0	0	0	111.6	A369 V372 C385	A369-C374 HydrophobicContact CB-CB 3.91Å; A369-C374 WeakPolarHBondContact O-CB 3.43Å; A369-C374 PolarHBondContact O-N 3.24Å; V372-C374 HydrophobicContact CG2-CB 4.36Å; V372-C374 PolarHBondContact O-N 2.86Å; C374-C385 WeakPolarHBondContact CA-SG 3.31Å; C374-C385 HydrophobicContact CB-CB 3.59Å; C374-C385 WeakPolarHBondContact CB-SG 3.35Å; C374-C385 WeakPolarHBondContact SG-CB 3.29Å; C374-C385 CovalentContact SG-SG 2.03Å; C374-C385 PolarHBondContact SG-SG 3.29Å
375	D	94.5	Very high	94.7	Very high	82 Å²	82	47.4 Å²	47.4	44%	0.439	26%	0.255	S	S	.	.			trans	-72.6	132.1	172.8	176.4	27.2	0	0	0	110.3	S377 S381 M382	D375-S377 VanDerWaalsContact CG-OG 3.24Å; D375-S377 VanDerWaalsContact OD1-CB 3.23Å; D375-S377 WeakPolarHBondContact OD1-CB 3.4Å; D375-S377 PolarHBondContact OD1-N 3.29Å; D375-S377 PolarHBondContact OD1-OG 3.04Å; D375-S377 WeakPolarHBondContact OD2-CB 3.38Å; D375-S377 PolarHBondContact OD2-OG 3.3Å; D375-S381 PolarHBondContact OD2-OG 2.89Å; D375-M382 WeakPolarHBondContact O-CA 3.44Å; D375-M382 WeakPolarHBondContact O-CB 3.23Å; D375-M382 PolarHBondContact O-N 3.48Å
376	V	92.7	Very high	94.8	Very high	27 Å²	27	47.4 Å²	47.4	16%	0.164	26%	0.255	C	S	.	.			trans	-110	9.4	179.8	-54.1	0	0	0	0	112.8	A369 Y370 S378 M382	A369-V376 HydrophobicContact CB-CG1 3.65Å; Y370-V376 HydrophobicContact CD1-CG1 4.42Å; Y370-V376 HydrophobicContact CD1-CG2 4.47Å; Y370-V376 HydrophobicContact CD2-CG1 4.5Å; Y370-V376 HydrophobicContact CE1-CG1 4.29Å; Y370-V376 HydrophobicContact CE1-CG2 3.58Å; Y370-V376 HydrophobicContact CE2-CG1 4.36Å; Y370-V376 HydrophobicContact CE2-CG2 3.92Å; Y370-V376 WeakPolarHBondContact OH-CG2 3.45Å; V376-S378 PolarHBondContact O-N 2.87Å; V376-M382 HydrophobicContact CB-SD 4.14Å; V376-M382 HydrophobicContact CG1-CG 4.11Å; V376-M382 HydrophobicContact CG1-SD 3.76Å
377	S	90.6	Very high	94.8	Very high	94 Å²	94	45.1 Å²	45.1	66%	0.657	24%	0.244	S	C	*	.	S	Bend	trans	-56.5	-37	178.6	68.3	0	0	0	0	112.7	D375	D375-S377 VanDerWaalsContact CG-OG 3.24Å; D375-S377 VanDerWaalsContact OD1-CB 3.23Å; D375-S377 WeakPolarHBondContact OD1-CB 3.4Å; D375-S377 PolarHBondContact OD1-N 3.29Å; D375-S377 PolarHBondContact OD1-OG 3.04Å; D375-S377 WeakPolarHBondContact OD2-CB 3.38Å; D375-S377 PolarHBondContact OD2-OG 3.3Å
378	S	90.7	Very high	94.9	Very high	54 Å²	54	45.2 Å²	45.2	38%	0.378	25%	0.253	S	S	.	.	S	Bend	trans	-135	146.7	173.9	65.3	0	0	0	0	110.7	V376 R380 S381 M382	V376-S378 PolarHBondContact O-N 2.87Å; S378-R380 VanDerWaalsContact C-N 3.29Å; S378-R380 PolarHBondContact O-N 3.26Å; S378-S381 PolarHBondContact O-N 3.19Å; S378-S381 WeakPolarHBondContact OG-CB 3.3Å; S378-S381 PolarHBondContact OG-N 2.74Å; S378-M382 WeakPolarHBondContact O-CB 3.34Å; S378-M382 PolarHBondContact O-N 3Å
379	K	90.6	Very high	94.8	Very high	36 Å²	36	48.7 Å²	48.7	16%	0.157	27%	0.266	C	S	.	.	H	α-helix	trans	-58.8	-41.5	178	-67.7	177.8	-174.5	166.8	0	111.7	I257 E276 M382 I383	I257-K379 HydrophobicContact CG2-CD 3.75Å; I257-K379 HydrophobicContact CG2-CG 4.02Å; E276-K379 WeakPolarHBondContact OE2-CD 3.43Å; E276-K379 WeakPolarHBondContact OE2-CE 3.29Å; E276-K379 IonicContact OE2-NZ 3.27Å; E276-K379 PolarHBondContact OE2-NZ 3.04Å; K379-M382 WeakPolarHBondContact O-CB 3.26Å; K379-M382 PolarHBondContact O-N 3.35Å; K379-I383 WeakPolarHBondContact O-CB 3.33Å; K379-I383 WeakPolarHBondContact O-CD1 3.29Å; K379-I383 WeakPolarHBondContact O-CG1 3.18Å; K379-I383 PolarHBondContact O-N 2.85Å
380	R	90.6	Very high	94.7	Very high	126 Å²	126	51.9 Å²	51.9	48%	0.475	29%	0.285	S	S	.	.	H	α-helix	trans	-63.1	-46	179	-172.1	172.5	-176	149	-3.4	112.4	D273 S378 M382 I383 N384	D273-R380 PolarHBondContact O-NH1 2.94Å; S378-R380 VanDerWaalsContact C-N 3.29Å; S378-R380 PolarHBondContact O-N 3.26Å; R380-M382 VanDerWaalsContact C-N 3.35Å; R380-I383 PolarHBondContact O-N 2.72Å; R380-N384 WeakPolarHBondContact O-CB 3.4Å; R380-N384 VanDerWaalsContact O-CG 3.28Å; R380-N384 PolarHBondContact O-N 3.06Å; R380-N384 PolarHBondContact O-ND2 2.86Å
381	S	92.5	Very high	94.6	Very high	42 Å²	42	46 Å²	46	29%	0.294	27%	0.266	S	S	.	.	H	α-helix	trans	-60.5	-46.3	175.2	-176.2	0	0	0	0	111	D375 S378 I383 N384 C385	D375-S381 PolarHBondContact OD2-OG 2.89Å; S378-S381 PolarHBondContact O-N 3.19Å; S378-S381 WeakPolarHBondContact OG-CB 3.3Å; S378-S381 PolarHBondContact OG-N 2.74Å; S381-I383 PolarHBondContact O-N 2.77Å; S381-N384 PolarHBondContact O-N 3.23Å; S381-C385 WeakPolarHBondContact O-CB 3.23Å; S381-C385 PolarHBondContact O-N 3.2Å
382	M	94.7	Very high	94.5	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-58.3	-48.8	177.8	-171.7	179.5	69	0	0	112.1	I257 K366 A369 D375 V376 S378 K379 R380 C385 L386	I257-M382 HydrophobicContact CD1-CE 3.39Å; I257-M382 HydrophobicContact CG1-CE 3.91Å; I257-M382 HydrophobicContact CG2-CE 4.48Å; K366-M382 HydrophobicContact CG-CE 4.49Å; K366-M382 HydrophobicContact CG-SD 3.86Å; A369-M382 HydrophobicContact CB-CG 3.54Å; A369-M382 HydrophobicContact CB-SD 3.82Å; D375-M382 WeakPolarHBondContact O-CA 3.44Å; D375-M382 WeakPolarHBondContact O-CB 3.23Å; D375-M382 PolarHBondContact O-N 3.48Å; V376-M382 HydrophobicContact CB-SD 4.14Å; V376-M382 HydrophobicContact CG1-CG 4.11Å; V376-M382 HydrophobicContact CG1-SD 3.76Å; S378-M382 WeakPolarHBondContact O-CB 3.34Å; S378-M382 PolarHBondContact O-N 3Å; K379-M382 WeakPolarHBondContact O-CB 3.26Å; K379-M382 PolarHBondContact O-N 3.35Å; R380-M382 VanDerWaalsContact C-N 3.35Å; M382-C385 PolarHBondContact O-N 3.47Å; M382-L386 HydrophobicContact CG-CD1 4.14Å; M382-L386 WeakPolarHBondContact O-CB 3.34Å; M382-L386 VanDerWaalsContact O-CG 3.3Å; M382-L386 WeakPolarHBondContact O-CG 3.33Å; M382-L386 PolarHBondContact O-N 2.91Å
383	I	94.3	Very high	94.3	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-64.1	-47.1	-179.9	-70.5	164.3	0	0	0	111.2	I257 E277 I279 K379 R380 S381 C385 L386 R387	I257-I383 HydrophobicContact CD1-CD1 3.67Å; I257-I383 HydrophobicContact CD1-CG1 3.36Å; E277-I383 HydrophobicContact CB-CD1 4.06Å; E277-I383 HydrophobicContact CG-CD1 4.2Å; E277-I383 WeakPolarHBondContact O-CD1 3.49Å; I279-I383 HydrophobicContact CD1-CB 4.36Å; I279-I383 HydrophobicContact CD1-CD1 3.98Å; I279-I383 HydrophobicContact CD1-CG1 3.69Å; I279-I383 HydrophobicContact CD1-CG2 3.84Å; I279-I383 HydrophobicContact CG1-CD1 3.88Å; I279-I383 HydrophobicContact CG1-CG1 4.18Å; K379-I383 WeakPolarHBondContact O-CB 3.33Å; K379-I383 WeakPolarHBondContact O-CD1 3.29Å; K379-I383 WeakPolarHBondContact O-CG1 3.18Å; K379-I383 PolarHBondContact O-N 2.85Å; R380-I383 PolarHBondContact O-N 2.72Å; S381-I383 PolarHBondContact O-N 2.77Å; I383-C385 VanDerWaalsContact C-N 3.29Å; I383-C385 PolarHBondContact O-N 2.86Å; I383-L386 PolarHBondContact O-N 3.17Å; I383-R387 WeakPolarHBondContact O-CG 3.31Å; I383-R387 PolarHBondContact O-N 2.95Å
384	N	94.2	Very high	94.3	Very high	76 Å²	76	47.5 Å²	47.5	41%	0.406	26%	0.264	S	S	.	.	H	α-helix	trans	-61.7	-40	178.8	-74.8	-24.8	0	0	0	111.6	R380 S381 R387 S388	R380-N384 WeakPolarHBondContact O-CB 3.4Å; R380-N384 VanDerWaalsContact O-CG 3.28Å; R380-N384 PolarHBondContact O-N 3.06Å; R380-N384 PolarHBondContact O-ND2 2.86Å; S381-N384 PolarHBondContact O-N 3.23Å; N384-R387 PolarHBondContact O-N 3.08Å; N384-S388 PolarHBondContact O-N 3.34Å; N384-S388 VanDerWaalsContact O-N 3.09Å
385	C	96.8	Very high	94.2	Very high	22 Å²	22	47.3 Å²	47.3	15%	0.149	26%	0.263	C	S	.	.	H	α-helix	trans	-66.4	-46.2	174	-179.3	0	0	0	0	112	C374 S381 M382 I383 R387 S388 R389	C374-C385 WeakPolarHBondContact CA-SG 3.31Å; C374-C385 HydrophobicContact CB-CB 3.59Å; C374-C385 WeakPolarHBondContact CB-SG 3.35Å; C374-C385 WeakPolarHBondContact SG-CB 3.29Å; C374-C385 CovalentContact SG-SG 2.03Å; C374-C385 PolarHBondContact SG-SG 3.29Å; S381-C385 WeakPolarHBondContact O-CB 3.23Å; S381-C385 PolarHBondContact O-N 3.2Å; M382-C385 PolarHBondContact O-N 3.47Å; I383-C385 VanDerWaalsContact C-N 3.29Å; I383-C385 PolarHBondContact O-N 2.86Å; C385-R387 PolarHBondContact O-N 3.39Å; C385-S388 PolarHBondContact O-N 3.01Å; C385-S388 PolarHBondContact O-OG 3.02Å; C385-R389 WeakPolarHBondContact O-CG 3.23Å; C385-R389 PolarHBondContact O-N 2.85Å; C385-R389 VanDerWaalsContact O-N 3.13Å
386	L	97.3	Very high	94.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60.1	-32.9	176	-74	170.4	0	0	0	112.3	R119 F120 L255 L368 A369 V372 M382 I383 S388 I394	R119-L386 PolarHBondContact NH1-O 3.08Å; F120-L386 HydrophobicContact CE2-CB 4.01Å; L255-L386 HydrophobicContact CD1-CD1 3.98Å; L368-L386 HydrophobicContact CD2-CD2 4.23Å; L368-L386 HydrophobicContact CG-CD2 4.17Å; A369-L386 HydrophobicContact CB-CD1 4.38Å; A369-L386 HydrophobicContact CB-CD2 4.3Å; A369-L386 HydrophobicContact CB-CG 4.4Å; V372-L386 HydrophobicContact CG2-CD2 3.84Å; M382-L386 HydrophobicContact CG-CD1 4.14Å; M382-L386 WeakPolarHBondContact O-CB 3.34Å; M382-L386 VanDerWaalsContact O-CG 3.3Å; M382-L386 WeakPolarHBondContact O-CG 3.33Å; M382-L386 PolarHBondContact O-N 2.91Å; I383-L386 PolarHBondContact O-N 3.17Å; L386-S388 VanDerWaalsContact C-N 3.35Å; L386-I394 VanDerWaalsContact O-CD1 3.24Å; L386-I394 WeakPolarHBondContact O-CD1 3.26Å
387	R	96.4	Very high	94.2	Very high	26 Å²	26	45.1 Å²	45.1	10%	0.098	25%	0.252	C	S	.	.	H	α-helix	trans	-71.1	-27	172.3	-75.2	-175.9	179.7	137.3	-0.5	113.5	Q114 R119 F120 E277 I383 N384 C385	Q114-R387 VanDerWaalsContact CG-O 3.27Å; Q114-R387 WeakPolarHBondContact CG-O 3.24Å; Q114-R387 PolarHBondContact NE2-O 3.42Å; R119-R387 PolarHBondContact NH1-O 3.11Å; R119-R387 VanDerWaalsContact NH1-O 3.12Å; F120-R387 HydrophobicContact CD2-CG 3.89Å; F120-R387 HydrophobicContact CE2-CG 4.12Å; E277-R387 IonicContact OE1-CZ 3.38Å; E277-R387 IonicContact OE1-NH1 3.53Å; E277-R387 PolarHBondContact OE1-NH1 3.23Å; E277-R387 IonicContact OE1-NH2 2.68Å; E277-R387 PolarHBondContact OE1-NH2 3.3Å; E277-R387 IonicContact OE2-CZ 2.76Å; E277-R387 IonicContact OE2-NH1 3.29Å; E277-R387 PolarHBondContact OE2-NH1 3Å; I383-R387 WeakPolarHBondContact O-CG 3.31Å; I383-R387 PolarHBondContact O-N 2.95Å; N384-R387 PolarHBondContact O-N 3.08Å; C385-R387 PolarHBondContact O-N 3.39Å
388	S	96	Very high	94.4	Very high	71 Å²	71	40.8 Å²	40.8	50%	0.497	22%	0.221	S	C	.	.	H	α-helix	trans	-81.7	-24.3	179.5	76.6	0	0	0	0	113.4	Q114 N384 C385 L386	Q114-S388 PolarHBondContact NE2-O 3.23Å; N384-S388 PolarHBondContact O-N 3.34Å; N384-S388 VanDerWaalsContact O-N 3.09Å; C385-S388 PolarHBondContact O-N 3.01Å; C385-S388 PolarHBondContact O-OG 3.02Å; L386-S388 VanDerWaalsContact C-N 3.35Å
389	R	96.8	Very high	94.4	Very high	72 Å²	72	38.3 Å²	38.3	27%	0.272	20%	0.204	S	C	.	.	S	Bend	trans	-65.7	153	177.1	-63.4	-59.7	175	177.6	-0.6	113	Q114 R119 V372 G373 C385 I394	Q114-R389 PolarHBondContact OE1-O 3.1Å; R119-R389 PolarHBondContact NH1-O 3.15Å; R119-R389 PolarHBondContact NH2-O 3.3Å; R119-R389 VanDerWaalsContact NH2-O 3.16Å; V372-R389 HydrophobicContact CB-CG 4.13Å; V372-R389 HydrophobicContact CG2-CG 3.9Å; V372-R389 PolarHBondContact O-NE 3.36Å; V372-R389 PolarHBondContact O-NH2 2.87Å; G373-R389 PolarHBondContact O-NH2 2.75Å; C385-R389 WeakPolarHBondContact O-CG 3.23Å; C385-R389 PolarHBondContact O-N 2.85Å; C385-R389 VanDerWaalsContact O-N 3.13Å; R389-I394 HydrophobicContact CB-CD1 4.03Å; R389-I394 HydrophobicContact CB-CG1 3.89Å
390	T	95.5	Very high	94.4	Very high	67 Å²	67	41.9 Å²	41.9	41%	0.411	22%	0.22	S	C	.	.			trans	-71.8	156.7	177.5	64.6	0	0	0	0	111.3	T392 E393 I394	T390-T392 VanDerWaalsContact C-N 3.25Å; T390-T392 PolarHBondContact O-N 3.34Å; T390-E393 PolarHBondContact N-OE2 3Å; T390-E393 PolarHBondContact O-N 3.37Å; T390-E393 WeakPolarHBondContact OG1-CB 3.26Å; T390-E393 VanDerWaalsContact OG1-CD 3.24Å; T390-E393 WeakPolarHBondContact OG1-CG 3.49Å; T390-E393 PolarHBondContact OG1-N 3.31Å; T390-E393 PolarHBondContact OG1-OE2 3Å; T390-I394 WeakPolarHBondContact O-CG1 3.44Å; T390-I394 PolarHBondContact O-N 3.02Å
391	S	94.9	Very high	94.5	Very high	25 Å²	25	35.9 Å²	35.9	18%	0.175	20%	0.197	C	C	.	.	H	α-helix	trans	-61	-37.9	178.2	61.6	0	0	0	0	112.4	S143 I394 S395	S143-S391 WeakPolarHBondContact OG-CB 3.44Å; S391-I394 PolarHBondContact O-N 3.36Å; S391-S395 WeakPolarHBondContact O-CB 3.35Å; S391-S395 PolarHBondContact O-N 2.89Å; S391-S395 PolarHBondContact O-OG 3.26Å
392	T	92.8	Very high	94	Very high	84 Å²	84	38.4 Å²	38.4	52%	0.515	20%	0.2	S	C	.	.	H	α-helix	trans	-66.1	-43.9	178.9	-55.5	0	0	0	0	112.8	T390 I394 N396	T390-T392 VanDerWaalsContact C-N 3.25Å; T390-T392 PolarHBondContact O-N 3.34Å; T392-I394 VanDerWaalsContact C-N 3.34Å; T392-I394 PolarHBondContact O-N 3.05Å; T392-N396 WeakPolarHBondContact O-CB 3.49Å; T392-N396 PolarHBondContact O-N 2.94Å; T392-N396 PolarHBondContact O-ND2 3.01Å
393	E	94.5	Very high	93.4	Very high	84 Å²	84	39.7 Å²	39.7	39%	0.393	21%	0.207	S	C	.	.	H	α-helix	trans	-58.6	-48	175.5	-76	166.4	145.8	0	0	110.9	T390 A397	T390-E393 PolarHBondContact N-OE2 3Å; T390-E393 PolarHBondContact O-N 3.37Å; T390-E393 WeakPolarHBondContact OG1-CB 3.26Å; T390-E393 VanDerWaalsContact OG1-CD 3.24Å; T390-E393 WeakPolarHBondContact OG1-CG 3.49Å; T390-E393 PolarHBondContact OG1-N 3.31Å; T390-E393 PolarHBondContact OG1-OE2 3Å; E393-A397 VanDerWaalsContact O-CB 3.23Å; E393-A397 WeakPolarHBondContact O-CB 3.04Å; E393-A397 PolarHBondContact O-N 3.15Å
394	I	96.9	Very high	92.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.5	-51	-179.6	-68.3	171.2	0	0	0	110.9	R119 F120 P251 F252 L368 L386 R389 T390 S391 T392 N396 A397 A398	R119-I394 VanDerWaalsContact NH1-CD1 3.27Å; F120-I394 HydrophobicContact CZ-CD1 4.43Å; P251-I394 HydrophobicContact CB-CG2 4.07Å; P251-I394 HydrophobicContact CG-CG2 3.28Å; F252-I394 HydrophobicContact CE1-CD1 4.22Å; F252-I394 HydrophobicContact CE1-CG2 4.37Å; F252-I394 HydrophobicContact CE2-CB 4.3Å; F252-I394 HydrophobicContact CE2-CG2 3.79Å; F252-I394 HydrophobicContact CZ-CB 3.83Å; F252-I394 HydrophobicContact CZ-CD1 4.08Å; F252-I394 HydrophobicContact CZ-CG2 3.6Å; L368-I394 HydrophobicContact CD2-CG2 4.27Å; L386-I394 VanDerWaalsContact O-CD1 3.24Å; L386-I394 WeakPolarHBondContact O-CD1 3.26Å; R389-I394 HydrophobicContact CB-CD1 4.03Å; R389-I394 HydrophobicContact CB-CG1 3.89Å; T390-I394 WeakPolarHBondContact O-CG1 3.44Å; T390-I394 PolarHBondContact O-N 3.02Å; S391-I394 PolarHBondContact O-N 3.36Å; T392-I394 VanDerWaalsContact C-N 3.34Å; T392-I394 PolarHBondContact O-N 3.05Å; I394-N396 PolarHBondContact O-N 2.72Å; I394-A397 PolarHBondContact O-N 3.48Å; I394-A398 WeakPolarHBondContact O-CB 3.27Å; I394-A398 PolarHBondContact O-N 3.27Å
395	S	94.8	Very high	91.7	Very high	4 Å²	4	46.1 Å²	46.1	3%	0.028	23%	0.229	C	C	.	.	H	α-helix	trans	-60.9	-45.4	-178.9	-73.8	0	0	0	0	112.3	Q144 P145 F252 S391 A398 A399	Q144-S395 VanDerWaalsContact C-CB 3.47Å; Q144-S395 PolarHBondContact N-OG 2.8Å; P145-S395 WeakPolarHBondContact CG-O 3.05Å; F252-S395 WeakPolarHBondContact CE2-OG 3.47Å; S391-S395 WeakPolarHBondContact O-CB 3.35Å; S391-S395 PolarHBondContact O-N 2.89Å; S391-S395 PolarHBondContact O-OG 3.26Å; S395-A398 WeakPolarHBondContact O-CB 3.49Å; S395-A398 PolarHBondContact O-N 2.97Å; S395-A399 PolarHBondContact O-N 3.35Å
396	N	92.5	Very high	90.6	Very high	51 Å²	51	48.7 Å²	48.7	27%	0.273	25%	0.245	S	C	.	.	H	α-helix	trans	-70.2	-36	-179.1	-72.9	-19.6	0	0	0	112.4	S146 T392 I394	S146-N396 PolarHBondContact N-OD1 3.04Å; S146-N396 VanDerWaalsContact N-OD1 3.12Å; T392-N396 WeakPolarHBondContact O-CB 3.49Å; T392-N396 PolarHBondContact O-N 2.94Å; T392-N396 PolarHBondContact O-ND2 3.01Å; I394-N396 PolarHBondContact O-N 2.72Å
397	A	94.8	Very high	89.2	Confident	12 Å²	12	52.7 Å²	52.7	10%	0.099	27%	0.266	C	S	.	.	H	α-helix	trans	-66	-42.5	172.4	0	0	0	0	0	111.2	L368 Q371 V372 E393 I394 A399 K400 T401	L368-A397 HydrophobicContact CD1-CB 3.57Å; Q371-A397 HydrophobicContact CB-CB 3.96Å; Q371-A397 PolarHBondContact OE1-O 2.84Å; V372-A397 HydrophobicContact CG1-CB 3.6Å; E393-A397 VanDerWaalsContact O-CB 3.23Å; E393-A397 WeakPolarHBondContact O-CB 3.04Å; E393-A397 PolarHBondContact O-N 3.15Å; I394-A397 PolarHBondContact O-N 3.48Å; A397-A399 PolarHBondContact O-N 3.02Å; A397-K400 CarbonylContact O-C 3.59Å; A397-K400 WeakPolarHBondContact O-CA 3.27Å; A397-K400 WeakPolarHBondContact O-CB 3.09Å; A397-K400 PolarHBondContact O-N 3.17Å; A397-T401 PolarHBondContact O-N 3.29Å; A397-T401 PolarHBondContact O-OG1 3.47Å; A397-T401 VanDerWaalsContact O-OG1 3.14Å
398	A	95.1	Very high	88.2	Confident	2 Å²	2	52.6 Å²	52.6	2%	0.017	27%	0.266	C	S	.	.	H	α-helix	trans	-58.2	-33.1	178.8	0	0	0	0	0	113.8	L223 P251 L368 I394 S395 K400 T401 W413	L223-A398 HydrophobicContact CD1-CB 4.46Å; P251-A398 VanDerWaalsContact CD-CB 3.47Å; P251-A398 HydrophobicContact CG-CB 3.8Å; L368-A398 HydrophobicContact CD1-CB 4.32Å; I394-A398 WeakPolarHBondContact O-CB 3.27Å; I394-A398 PolarHBondContact O-N 3.27Å; S395-A398 WeakPolarHBondContact O-CB 3.49Å; S395-A398 PolarHBondContact O-N 2.97Å; A398-K400 PolarHBondContact O-N 2.98Å; A398-T401 WeakPolarHBondContact CA-OG1 3.28Å; A398-T401 PolarHBondContact O-N 3.43Å; A398-W413 HydrophobicContact CB-CZ2 3.65Å; A398-W413 PolarHBondContact O-NE1 3.36Å; A398-W413 VanDerWaalsContact O-NE1 3.09Å
399	A	91.1	Very high	87	Confident	3 Å²	3	51.3 Å²	51.3	3%	0.025	25%	0.254	C	S	.	.	H	α-helix	trans	-64.4	-28.7	174.3	0	0	0	0	0	113.3	P145 Y162 L223 S395 A397	P145-A399 HydrophobicContact CB-CB 3.71Å; P145-A399 HydrophobicContact CG-CB 3.54Å; Y162-A399 HydrophobicContact CE1-CB 3.91Å; Y162-A399 WeakPolarHBondContact OH-CB 3.12Å; L223-A399 HydrophobicContact CD2-CB 4.42Å; S395-A399 PolarHBondContact O-N 3.35Å; A397-A399 PolarHBondContact O-N 3.02Å
400	K	90.2	Very high	85.7	Confident	111 Å²	111	48.5 Å²	48.5	48%	0.483	24%	0.244	S	C	.	.	H	α-helix	trans	-98.3	-8.8	-178.5	-59.2	178.5	-177.9	-177.3	0	112.4	Q371 A397 A398 R402	Q371-K400 PolarHBondContact NE2-O 2.95Å; A397-K400 CarbonylContact O-C 3.59Å; A397-K400 WeakPolarHBondContact O-CA 3.27Å; A397-K400 WeakPolarHBondContact O-CB 3.09Å; A397-K400 PolarHBondContact O-N 3.17Å; A398-K400 PolarHBondContact O-N 2.98Å; K400-R402 PolarHBondContact O-N 3.36Å
401	T	91.8	Very high	85	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.228	C	C	.	.			trans	-66.7	105.7	175.3	-54.3	0	0	0	0	108.1	Y364 Q367 Q371 A397 A398 P412 W413	Y364-T401 HydrophobicContact CD1-CG2 4.14Å; Q367-T401 HydrophobicContact CB-CG2 4.06Å; Q367-T401 HydrophobicContact CG-CG2 3.97Å; Q371-T401 PolarHBondContact OE1-OG1 3.18Å; A397-T401 PolarHBondContact O-N 3.29Å; A397-T401 PolarHBondContact O-OG1 3.47Å; A397-T401 VanDerWaalsContact O-OG1 3.14Å; A398-T401 WeakPolarHBondContact CA-OG1 3.28Å; A398-T401 PolarHBondContact O-N 3.43Å; T401-P412 HydrophobicContact CG2-CB 4.45Å; T401-P412 HydrophobicContact CG2-CG 4.44Å; T401-P412 WeakPolarHBondContact O-CG 3.4Å; T401-W413 HydrophobicContact CG2-CZ2 4.07Å
402	R	82.5	Confident	84.7	Confident	95 Å²	95	45.2 Å²	45.2	36%	0.358	22%	0.222	S	C	.	.			trans	-134.7	120.3	172	-65	-67.6	176.6	178.2	-3.9	107.1	K400	K400-R402 PolarHBondContact O-N 3.36Å
403	I	81.3	Confident	84.7	Confident	29 Å²	29	41.8 Å²	41.8	15%	0.149	20%	0.2	C	C	.	.			trans	-124.6	121.7	172	-54.3	174.7	0	0	0	105.3	A363 Y364 Q367 R405 W408	A363-I403 HydrophobicContact CB-CD1 3.87Å; A363-I403 WeakPolarHBondContact O-CD1 3.42Å; Y364-I403 HydrophobicContact CD1-CB 4.08Å; Y364-I403 HydrophobicContact CD1-CD1 3.78Å; Y364-I403 HydrophobicContact CD1-CG1 3.92Å; Y364-I403 HydrophobicContact CE1-CB 3.76Å; Y364-I403 HydrophobicContact CE1-CD1 4.31Å; Y364-I403 HydrophobicContact CE1-CG1 4.13Å; Q367-I403 HydrophobicContact CB-CD1 3.56Å; Q367-I403 HydrophobicContact CB-CG1 3.97Å; Q367-I403 HydrophobicContact CG-CD1 4.18Å; Q367-I403 HydrophobicContact CG-CG1 4.02Å; I403-R405 HydrophobicContact CG2-CG 4.13Å; I403-W408 HydrophobicContact CB-CZ3 4.49Å; I403-W408 HydrophobicContact CG2-CE3 4.25Å; I403-W408 HydrophobicContact CG2-CZ3 3.91Å
404	H	76.3	Confident	84.7	Confident	84 Å²	84	38 Å²	38	39%	0.389	18%	0.182	S	C	.	.			trans	-105.6	134.1	170.2	-61.1	-80.7	0	0	0	107.6	N507 F509	H404-N507 WeakPolarHBondContact CB-O 3.29Å; H404-F509 HydrophobicContact CB-CE2 3.59Å; H404-F509 HydrophobicContact CB-CZ 4.37Å; H404-F509 VanDerWaalsContact O-CE2 3.28Å; H404-F509 WeakPolarHBondContact O-CE2 3.37Å; H404-F509 VanDerWaalsContact O-CZ 3.27Å; H404-F509 WeakPolarHBondContact O-CZ 3.42Å
405	R	77.9	Confident	84.7	Confident	127 Å²	127	38 Å²	38	48%	0.479	18%	0.182	S	C	.	.			trans	-139.5	161.2	168.3	-64.6	-165.8	-179.5	-177.4	-2.4	109.3	I403 N407 W408 F509	I403-R405 HydrophobicContact CG2-CG 4.13Å; R405-N407 PolarHBondContact O-N 3.14Å; R405-W408 HydrophobicContact CB-CB 4.3Å; R405-W408 HydrophobicContact CB-CD2 3.59Å; R405-W408 HydrophobicContact CB-CE3 3.91Å; R405-W408 HydrophobicContact CB-CG 3.76Å; R405-W408 HydrophobicContact CG-CD2 3.99Å; R405-W408 HydrophobicContact CG-CE3 3.83Å; R405-W408 HydrophobicContact CG-CH2 4.3Å; R405-W408 HydrophobicContact CG-CZ2 4.44Å; R405-W408 HydrophobicContact CG-CZ3 3.99Å; R405-W408 WeakPolarHBondContact O-CB 3.43Å; R405-W408 PolarHBondContact O-N 2.85Å; R405-F509 VanDerWaalsContact N-CE2 3.32Å
406	P	73.1	Confident	84.6	Confident	75 Å²	75	37.8 Å²	37.8	49%	0.487	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	132	173.7	-24	31.7	0	0	0	112	W408 F509	P406-W408 PolarHBondContact O-N 3.18Å; P406-F509 HydrophobicContact CB-CB 3.99Å; P406-F509 HydrophobicContact CB-CG 4.35Å; P406-F509 HydrophobicContact CG-CB 3.74Å; P406-F509 HydrophobicContact CG-CD1 3.77Å; P406-F509 HydrophobicContact CG-CD2 4.38Å; P406-F509 HydrophobicContact CG-CE1 4.49Å; P406-F509 HydrophobicContact CG-CG 3.7Å
407	N	68.5	Low	84.6	Confident	84 Å²	84	36.6 Å²	36.6	45%	0.449	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	66	9.4	-177.6	-50.2	-43.9	0	0	0	116	N357 R405 L409	N357-N407 PolarHBondContact ND2-O 3.34Å; N357-N407 VanDerWaalsContact ND2-O 3.15Å; R405-N407 PolarHBondContact O-N 3.14Å; N407-L409 PolarHBondContact O-N 3.11Å
408	W	75.7	Confident	84.5	Confident	24 Å²	24	36.5 Å²	36.5	9%	0.091	17%	0.172	C	C	.	.			trans	-93.6	78.4	173.3	-68	16.4	0	0	0	109.1	N359 E360 A363 I403 R405 P406 T410	N359-W408 HydrophobicContact CB-CZ2 4.37Å; E360-W408 HydrophobicContact CB-CD2 4.44Å; E360-W408 HydrophobicContact CB-CE3 4.32Å; E360-W408 HydrophobicContact CB-CH2 4.45Å; E360-W408 HydrophobicContact CB-CZ3 4.32Å; E360-W408 HydrophobicContact CG-CD2 3.58Å; E360-W408 HydrophobicContact CG-CE3 3.93Å; E360-W408 HydrophobicContact CG-CG 3.97Å; E360-W408 HydrophobicContact CG-CH2 4.24Å; E360-W408 HydrophobicContact CG-CZ2 3.93Å; E360-W408 HydrophobicContact CG-CZ3 4.25Å; A363-W408 HydrophobicContact CB-CH2 3.48Å; A363-W408 VanDerWaalsContact CB-CH2 3.48Å; A363-W408 HydrophobicContact CB-CZ3 3.67Å; I403-W408 HydrophobicContact CB-CZ3 4.49Å; I403-W408 HydrophobicContact CG2-CE3 4.25Å; I403-W408 HydrophobicContact CG2-CZ3 3.91Å; R405-W408 HydrophobicContact CB-CB 4.3Å; R405-W408 HydrophobicContact CB-CD2 3.59Å; R405-W408 HydrophobicContact CB-CE3 3.91Å; R405-W408 HydrophobicContact CB-CG 3.76Å; R405-W408 HydrophobicContact CG-CD2 3.99Å; R405-W408 HydrophobicContact CG-CE3 3.83Å; R405-W408 HydrophobicContact CG-CH2 4.3Å; R405-W408 HydrophobicContact CG-CZ2 4.44Å; R405-W408 HydrophobicContact CG-CZ3 3.99Å; R405-W408 WeakPolarHBondContact O-CB 3.43Å; R405-W408 PolarHBondContact O-N 2.85Å; P406-W408 PolarHBondContact O-N 3.18Å; W408-T410 VanDerWaalsContact C-N 3.28Å; W408-T410 PolarHBondContact O-N 3.43Å
409	L	70.2	Confident	84.3	Confident	45 Å²	45	41 Å²	41	24%	0.236	19%	0.19	C	C	.	.			trans	-94.3	41.3	177.8	-57.7	176.4	0	0	0	110.9	E351 N407 D508 L740	E351-L409 WeakPolarHBondContact CG-O 3.42Å; N407-L409 PolarHBondContact O-N 3.11Å; L409-D508 HydrophobicContact CD2-CB 4.04Å; L409-L740 HydrophobicContact CD1-CD1 4.04Å; L409-L740 HydrophobicContact CD2-CD1 4.19Å
410	T	68.4	Low	84.3	Confident	12 Å²	12	42.7 Å²	42.7	7%	0.074	20%	0.198	C	C	.	.	S	Bend	trans	-132.8	170.4	176.1	-172.4	0	0	0	0	110.3	G352 F354 E360 Y364 W408	G352-T410 WeakPolarHBondContact CA-OG1 3.44Å; F354-T410 PolarHBondContact O-OG1 2.95Å; E360-T410 VanDerWaalsContact CD-CG2 3.45Å; E360-T410 WeakPolarHBondContact OE2-CG2 3.34Å; Y364-T410 PolarHBondContact OH-O 2.64Å; W408-T410 VanDerWaalsContact C-N 3.28Å; W408-T410 PolarHBondContact O-N 3.43Å
411	K	81.5	Confident	84.6	Confident	15 Å²	15	37.5 Å²	37.5	7%	0.065	18%	0.175	C	C	.	.			trans	-102.7	148.8	-179.2	-64	175.9	-176.8	166.8	0	109.5	D221 H452	D221-K411 IonicContact OD1-NZ 2.87Å; D221-K411 PolarHBondContact OD1-NZ 3.37Å; D221-K411 IonicContact OD2-NZ 3.66Å; D221-K411 PolarHBondContact OD2-NZ 3.22Å; K411-H452 PolarHBondContact NZ-CE1 3Å; K411-H452 PolarHBondContact NZ-NE2 3.36Å
412	P	88.3	Confident	84.6	Confident	8 Å²	8	37.5 Å²	37.5	5%	0.052	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	152.1	166.3	-5.3	6	0	0	0	111.3	Y364 T401 A414	Y364-P412 HydrophobicContact CD1-CB 3.74Å; Y364-P412 HydrophobicContact CD1-CG 3.78Å; Y364-P412 HydrophobicContact CD2-CB 3.98Å; Y364-P412 HydrophobicContact CE1-CB 4.03Å; Y364-P412 HydrophobicContact CE1-CG 3.7Å; Y364-P412 HydrophobicContact CE2-CB 4.27Å; Y364-P412 HydrophobicContact CG-CB 3.72Å; Y364-P412 HydrophobicContact CG-CG 4.29Å; T401-P412 HydrophobicContact CG2-CB 4.45Å; T401-P412 HydrophobicContact CG2-CG 4.44Å; T401-P412 WeakPolarHBondContact O-CG 3.4Å; P412-A414 PolarHBondContact O-N 3.5Å
413	W	93.7	Very high	85.1	Confident	13 Å²	13	36.5 Å²	36.5	5%	0.049	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	9.8	177.5	-33.7	118.5	0	0	0	115.7	H222 P251 Y254 L255 L368 A398 T401	H222-W413 HydrophobicContact CB-CB 4.45Å; H222-W413 VanDerWaalsContact CB-O 3.3Å; H222-W413 WeakPolarHBondContact CB-O 3.38Å; P251-W413 HydrophobicContact CB-CD2 4.48Å; P251-W413 HydrophobicContact CB-CE3 3.95Å; P251-W413 HydrophobicContact CB-CH2 3.96Å; P251-W413 HydrophobicContact CB-CZ2 4.46Å; P251-W413 HydrophobicContact CB-CZ3 3.66Å; Y254-W413 WeakPolarHBondContact CB-O 3.45Å; Y254-W413 WeakPolarHBondContact CD2-O 3.16Å; L255-W413 HydrophobicContact CB-CZ3 4.44Å; L368-W413 HydrophobicContact CB-CH2 3.93Å; L368-W413 HydrophobicContact CB-CZ2 4.41Å; L368-W413 HydrophobicContact CD2-CH2 3.59Å; L368-W413 HydrophobicContact CD2-CZ2 4.24Å; L368-W413 HydrophobicContact CD2-CZ3 4.33Å; L368-W413 HydrophobicContact CG-CH2 4.27Å; A398-W413 HydrophobicContact CB-CZ2 3.65Å; A398-W413 PolarHBondContact O-NE1 3.36Å; A398-W413 VanDerWaalsContact O-NE1 3.09Å; T401-W413 HydrophobicContact CG2-CZ2 4.07Å
414	A	94.6	Very high	85.7	Confident	3 Å²	3	37.7 Å²	37.7	3%	0.025	18%	0.183	C	C	.	.			trans	-68.3	152.4	166	0	0	0	0	0	111.1	G352 V355 P412	G352-A414 WeakPolarHBondContact O-CB 3.49Å; V355-A414 HydrophobicContact CG2-CB 3.99Å; P412-A414 PolarHBondContact O-N 3.5Å
415	P	95.6	Very high	86.6	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.178	C	C	.	.			trans	-51.7	144	169.7	-28.7	34.1	0	0	0	113.2	H222 Y254 N282 L285 D320 L323 F354 V355	H222-P415 WeakPolarHBondContact CE1-CD 3.49Å; H222-P415 WeakPolarHBondContact NE2-CD 3.33Å; Y254-P415 HydrophobicContact CD1-CG 4.19Å; Y254-P415 HydrophobicContact CE1-CG 3.82Å; N282-P415 WeakPolarHBondContact OD1-CA 3.45Å; L285-P415 HydrophobicContact CD1-CB 4.02Å; L285-P415 HydrophobicContact CD1-CG 4.26Å; D320-P415 WeakPolarHBondContact OD1-CG 3.49Å; L323-P415 HydrophobicContact CD1-CB 3.42Å; L323-P415 VanDerWaalsContact CD1-CB 3.42Å; L323-P415 HydrophobicContact CD1-CG 3.49Å; L323-P415 VanDerWaalsContact CD1-CG 3.49Å; F354-P415 CarbonylContact C-O 3.55Å; F354-P415 WeakPolarHBondContact CA-O 3.32Å; F354-P415 HydrophobicContact CD2-CB 4.26Å; F354-P415 WeakPolarHBondContact CD2-O 3.49Å; V355-P415 WeakPolarHBondContact CG2-O 3.36Å; V355-P415 PolarHBondContact N-O 3.2Å
416	T	93.6	Very high	87.5	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.006	16%	0.156	C	C	.	.			trans	-120.8	165.5	-177.4	-170.1	0	0	0	0	112	A256 N282 F354 S361 D418	A256-T416 HydrophobicContact CB-CG2 3.65Å; N282-T416 PolarHBondContact ND2-O 3.15Å; N282-T416 PolarHBondContact OD1-N 3.08Å; F354-T416 VanDerWaalsContact CE2-C 3.49Å; S361-T416 WeakPolarHBondContact OG-CB 3.23Å; S361-T416 PolarHBondContact OG-OG1 3.12Å; T416-D418 PolarHBondContact O-N 3.06Å
417	L	93.1	Very high	88.5	Confident	26 Å²	26	32.3 Å²	32.3	14%	0.136	16%	0.158	C	C	.	.			trans	-68.5	120.1	167.7	-173.4	63.6	0	0	0	109.5	N258 F354 Y419 I422	N258-L417 PolarHBondContact ND2-O 3.17Å; N258-L417 VanDerWaalsContact ND2-O 3.07Å; F354-L417 HydrophobicContact CZ-CB 4Å; L417-Y419 HydrophobicContact CD1-CD1 4.44Å; L417-Y419 HydrophobicContact CD1-CE1 4.4Å; L417-Y419 HydrophobicContact CD2-CD1 4.43Å; L417-Y419 HydrophobicContact CD2-CE1 3.65Å; L417-Y419 HydrophobicContact CD2-CE2 4.1Å; L417-Y419 VanDerWaalsContact CD2-CZ 3.46Å; L417-Y419 WeakPolarHBondContact CD2-OH 3.4Å; L417-Y419 HydrophobicContact CG-CD1 4.32Å; L417-Y419 HydrophobicContact CG-CD2 4.42Å; L417-Y419 HydrophobicContact CG-CE1 4.01Å; L417-Y419 HydrophobicContact CG-CE2 4.11Å; L417-I422 HydrophobicContact CD1-CG2 4.1Å; L417-I422 VanDerWaalsContact CD1-O 3.31Å; L417-I422 WeakPolarHBondContact CD1-O 3.38Å
418	D	91.4	Very high	89.8	Confident	9 Å²	9	33.4 Å²	33.4	5%	0.048	16%	0.157	C	C	.	.			trans	-121.3	-3.6	-179.8	67.8	1.2	0	0	0	113.8	M280 N282 T416 D420 F421 I422	M280-D418 HydrophobicContact CB-CB 4.41Å; N282-D418 PolarHBondContact ND2-OD2 3.27Å; T416-D418 PolarHBondContact O-N 3.06Å; D418-D420 PolarHBondContact O-N 3.14Å; D418-D420 VanDerWaalsContact O-N 3.14Å; D418-D420 PolarHBondContact OD1-N 3.02Å; D418-F421 PolarHBondContact OD1-N 3.29Å; D418-F421 VanDerWaalsContact OD2-CB 3.29Å; D418-F421 WeakPolarHBondContact OD2-CB 3.4Å; D418-F421 PolarHBondContact OD2-N 2.89Å; D418-I422 PolarHBondContact OD1-N 2.74Å
419	Y	91.1	Very high	90.8	Very high	98 Å²	98	32.5 Å²	32.5	38%	0.384	15%	0.154	S	C	.	.	S	Bend	trans	55.8	24.8	-177.8	-52.2	-81	0	0	0	114	Y261 L417 I422	Y261-Y419 HydrophobicContact CD2-CD1 4.2Å; Y261-Y419 HydrophobicContact CD2-CD2 4.3Å; Y261-Y419 AromaticContact CD2-CE1 3.87Å; Y261-Y419 HydrophobicContact CD2-CE1 3.87Å; Y261-Y419 AromaticContact CD2-CE2 3.99Å; Y261-Y419 HydrophobicContact CD2-CE2 3.99Å; Y261-Y419 HydrophobicContact CD2-CG 4.39Å; Y261-Y419 AromaticContact CD2-CZ 3.75Å; Y261-Y419 HydrophobicContact CE2-CD1 4.34Å; Y261-Y419 HydrophobicContact CE2-CE1 4.29Å; Y261-Y419 HydrophobicContact CG-CE1 4.47Å; L417-Y419 HydrophobicContact CD1-CD1 4.44Å; L417-Y419 HydrophobicContact CD1-CE1 4.4Å; L417-Y419 HydrophobicContact CD2-CD1 4.43Å; L417-Y419 HydrophobicContact CD2-CE1 3.65Å; L417-Y419 HydrophobicContact CD2-CE2 4.1Å; L417-Y419 VanDerWaalsContact CD2-CZ 3.46Å; L417-Y419 WeakPolarHBondContact CD2-OH 3.4Å; L417-Y419 HydrophobicContact CG-CD1 4.32Å; L417-Y419 HydrophobicContact CG-CD2 4.42Å; L417-Y419 HydrophobicContact CG-CE1 4.01Å; L417-Y419 HydrophobicContact CG-CE2 4.11Å; Y419-I422 WeakPolarHBondContact CA-O 3.47Å; Y419-I422 PolarHBondContact N-O 3.18Å
420	D	92.2	Very high	92	Very high	38 Å²	38	30.4 Å²	30.4	20%	0.203	14%	0.143	C	C	.	.	S	Bend	trans	-139.8	-58.3	172	-172.8	24.8	0	0	0	112.5	R122 K329 D418 M423	R122-D420 IonicContact CZ-OD2 3.58Å; R122-D420 IonicContact NH1-OD2 3.61Å; R122-D420 PolarHBondContact NH1-OD2 2.76Å; R122-D420 IonicContact NH2-OD2 2.75Å; R122-D420 PolarHBondContact NH2-OD2 2.68Å; K329-D420 WeakPolarHBondContact CE-O 3.42Å; K329-D420 WeakPolarHBondContact CE-OD1 3.17Å; K329-D420 IonicContact NZ-OD1 3.65Å; K329-D420 PolarHBondContact NZ-OD1 3.2Å; D418-D420 PolarHBondContact O-N 3.14Å; D418-D420 VanDerWaalsContact O-N 3.14Å; D418-D420 PolarHBondContact OD1-N 3.02Å; D420-M423 WeakPolarHBondContact O-CE 3.37Å
421	F	94.8	Very high	93.2	Very high	1 Å²	1	31.4 Å²	31.4	0%	0.004	15%	0.149	C	C	.	.	S	Bend	trans	-75.6	-48	172.5	-176.2	-78	0	0	0	110.1	L285 W286 I289 L323 H324 S327 D418	L285-F421 HydrophobicContact CB-CD1 4.36Å; L285-F421 HydrophobicContact CB-CD2 4.1Å; L285-F421 HydrophobicContact CB-CE1 4.12Å; L285-F421 HydrophobicContact CB-CE2 3.72Å; L285-F421 HydrophobicContact CB-CG 4.42Å; L285-F421 HydrophobicContact CB-CZ 3.78Å; L285-F421 HydrophobicContact CD1-CD1 3.68Å; L285-F421 HydrophobicContact CD1-CE1 3.54Å; L285-F421 HydrophobicContact CD1-CG 4.41Å; L285-F421 HydrophobicContact CD1-CZ 4.04Å; L285-F421 HydrophobicContact CG-CE1 4.32Å; L285-F421 HydrophobicContact CG-CZ 4.34Å; W286-F421 HydrophobicContact CD2-CD2 4.4Å; W286-F421 HydrophobicContact CZ2-CB 3.92Å; W286-F421 HydrophobicContact CZ2-CD2 4.36Å; I289-F421 HydrophobicContact CD1-CD2 3.53Å; I289-F421 HydrophobicContact CD1-CE2 3.31Å; I289-F421 HydrophobicContact CG1-CD2 4.36Å; I289-F421 HydrophobicContact CG1-CE2 3.72Å; L323-F421 HydrophobicContact CB-CE1 4.37Å; H324-F421 AromaticContact CE1-CE2 3.72Å; H324-F421 AromaticContact CE1-CZ 3.58Å; H324-F421 AromaticContact CG-CZ 3.99Å; H324-F421 AromaticContact ND1-CE2 3.93Å; H324-F421 AromaticContact ND1-CZ 3.52Å; S327-F421 VanDerWaalsContact CB-O 3.23Å; S327-F421 WeakPolarHBondContact CB-O 3.49Å; S327-F421 PolarHBondContact OG-O 2.77Å; D418-F421 PolarHBondContact OD1-N 3.29Å; D418-F421 VanDerWaalsContact OD2-CB 3.29Å; D418-F421 WeakPolarHBondContact OD2-CB 3.4Å; D418-F421 PolarHBondContact OD2-N 2.89Å
422	I	93.7	Very high	93.8	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	16%	0.157	C	C	.	.			trans	-116.7	115.2	173.4	-71.6	137.5	0	0	0	108.3	L285 L323 F354 L417 D418 Y419 N424 L429	L285-I422 HydrophobicContact CD1-CD1 3.93Å; L323-I422 HydrophobicContact CB-CD1 4.11Å; L323-I422 HydrophobicContact CD1-CD1 3.9Å; L323-I422 HydrophobicContact CD2-CD1 3.86Å; L323-I422 HydrophobicContact CD2-CG1 4.23Å; L323-I422 HydrophobicContact CG-CD1 4.18Å; F354-I422 HydrophobicContact CD2-CD1 4.38Å; F354-I422 HydrophobicContact CE2-CB 4.5Å; F354-I422 HydrophobicContact CE2-CD1 4.07Å; F354-I422 HydrophobicContact CE2-CG2 3.88Å; F354-I422 HydrophobicContact CZ-CG2 4.17Å; L417-I422 HydrophobicContact CD1-CG2 4.1Å; L417-I422 VanDerWaalsContact CD1-O 3.31Å; L417-I422 WeakPolarHBondContact CD1-O 3.38Å; D418-I422 PolarHBondContact OD1-N 2.74Å; Y419-I422 WeakPolarHBondContact CA-O 3.47Å; Y419-I422 PolarHBondContact N-O 3.18Å; I422-N424 WeakPolarHBondContact CG2-O 3.07Å; I422-L429 HydrophobicContact CG2-CD1 4.37Å
423	M	92.5	Very high	93.9	Very high	73 Å²	73	32.8 Å²	32.8	36%	0.36	16%	0.159	S	C	.	.			trans	-84.2	-20.9	-174.9	-67.2	-66.6	-177	0	0	114.1	D420	D420-M423 WeakPolarHBondContact O-CE 3.37Å
424	N	93.8	Very high	93.9	Very high	55 Å²	55	34.2 Å²	34.2	29%	0.294	17%	0.167	S	C	.	.	S	Bend	trans	-157.3	173	-178.8	-150.8	-54.1	0	0	0	110.1	I422 Y428 L429	I422-N424 WeakPolarHBondContact CG2-O 3.07Å; N424-Y428 HydrophobicContact CB-CD1 3.68Å; N424-Y428 HydrophobicContact CB-CE1 4.33Å; N424-Y428 HydrophobicContact CB-CG 4.26Å; N424-Y428 VanDerWaalsContact CG-CD1 3.46Å; N424-Y428 WeakPolarHBondContact OD1-CB 3.46Å; N424-L429 HydrophobicContact CB-CD2 4.01Å; N424-L429 HydrophobicContact CB-CG 4.16Å; N424-L429 WeakPolarHBondContact O-CD1 3.49Å
425	T	94.4	Very high	93.9	Very high	48 Å²	48	34.4 Å²	34.4	29%	0.294	17%	0.167	S	C	.	.			trans	-53.8	139.4	174.3	62.6	0	0	0	0	111	K427 Y428 L429	T425-K427 PolarHBondContact O-N 3.33Å; T425-Y428 WeakPolarHBondContact O-CB 3.44Å; T425-Y428 PolarHBondContact O-N 3.5Å; T425-Y428 VanDerWaalsContact OG1-CB 3.29Å; T425-Y428 WeakPolarHBondContact OG1-CB 3.33Å; T425-Y428 PolarHBondContact OG1-N 3.45Å; T425-L429 PolarHBondContact O-N 3.48Å; T425-L429 VanDerWaalsContact O-N 3.11Å
426	P	96.5	Very high	93.8	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.019	17%	0.17	C	C	.	.	H	α-helix	trans	-54.7	-39.3	-179.5	-32.2	38.2	0	0	0	113.5	L323 L326 D348 Q349 F354 Y428 L429 W430	L323-P426 HydrophobicContact CD2-CB 4.33Å; L323-P426 HydrophobicContact CD2-CG 3.56Å; L326-P426 HydrophobicContact CD1-CB 3.58Å; L326-P426 HydrophobicContact CD1-CG 4.25Å; D348-P426 HydrophobicContact CB-CB 4.3Å; D348-P426 WeakPolarHBondContact OD2-CB 3.36Å; Q349-P426 VanDerWaalsContact NE2-CB 3.3Å; F354-P426 HydrophobicContact CB-CG 4.06Å; F354-P426 HydrophobicContact CD1-CG 3.8Å; F354-P426 HydrophobicContact CD2-CG 3.86Å; F354-P426 HydrophobicContact CE1-CG 4.17Å; F354-P426 HydrophobicContact CE2-CG 4.24Å; F354-P426 HydrophobicContact CG-CG 3.63Å; F354-P426 HydrophobicContact CZ-CG 4.37Å; P426-Y428 VanDerWaalsContact C-N 3.34Å; P426-Y428 PolarHBondContact O-N 3.33Å; P426-L429 PolarHBondContact O-N 3.22Å; P426-L429 VanDerWaalsContact O-N 3.16Å; P426-W430 WeakPolarHBondContact O-CB 3.34Å; P426-W430 PolarHBondContact O-N 2.89Å
427	K	95.1	Very high	93.8	Very high	121 Å²	121	37.4 Å²	37.4	53%	0.526	18%	0.182	S	C	.	.	H	α-helix	trans	-56.5	-43.3	173.4	177.2	173.1	-177.6	-179.6	0	113	T425 T431	T425-K427 PolarHBondContact O-N 3.33Å; K427-T431 HydrophobicContact CG-CG2 4.49Å; K427-T431 WeakPolarHBondContact O-CB 3.26Å; K427-T431 VanDerWaalsContact O-CG2 3.26Å; K427-T431 WeakPolarHBondContact O-CG2 3.48Å; K427-T431 PolarHBondContact O-N 3.23Å; K427-T431 PolarHBondContact O-OG1 3.33Å
428	Y	95.5	Very high	93.8	Very high	108 Å²	108	37.5 Å²	37.5	42%	0.424	18%	0.182	S	C	.	.	H	α-helix	trans	-64.5	-45.1	176.7	176.4	-85.6	0	0	0	111.2	N424 T425 P426 T431 N432 L434	N424-Y428 HydrophobicContact CB-CD1 3.68Å; N424-Y428 HydrophobicContact CB-CE1 4.33Å; N424-Y428 HydrophobicContact CB-CG 4.26Å; N424-Y428 VanDerWaalsContact CG-CD1 3.46Å; N424-Y428 WeakPolarHBondContact OD1-CB 3.46Å; T425-Y428 WeakPolarHBondContact O-CB 3.44Å; T425-Y428 PolarHBondContact O-N 3.5Å; T425-Y428 VanDerWaalsContact OG1-CB 3.29Å; T425-Y428 WeakPolarHBondContact OG1-CB 3.33Å; T425-Y428 PolarHBondContact OG1-N 3.45Å; P426-Y428 VanDerWaalsContact C-N 3.34Å; P426-Y428 PolarHBondContact O-N 3.33Å; Y428-T431 PolarHBondContact O-N 3.37Å; Y428-T431 PolarHBondContact O-OG1 2.74Å; Y428-N432 WeakPolarHBondContact CD2-ND2 3.48Å; Y428-N432 VanDerWaalsContact CE2-ND2 3.33Å; Y428-N432 WeakPolarHBondContact CE2-ND2 2.81Å; Y428-N432 WeakPolarHBondContact O-CB 3.23Å; Y428-N432 PolarHBondContact O-N 2.7Å; Y428-N432 VanDerWaalsContact O-N 3.16Å; Y428-N432 PolarHBondContact O-ND2 2.99Å; Y428-L434 HydrophobicContact CE1-CD1 4.12Å
429	L	96	Very high	94	Very high	5 Å²	5	38.3 Å²	38.3	3%	0.026	19%	0.188	C	C	.	.	H	α-helix	trans	-63.7	-47.4	-178.5	-63.5	174.2	0	0	0	110.9	L326 I422 N424 T425 P426 N432 G433 L434	L326-L429 HydrophobicContact CB-CB 4.41Å; L326-L429 HydrophobicContact CB-CD1 3.82Å; L326-L429 HydrophobicContact CD1-CB 4.27Å; L326-L429 HydrophobicContact CD1-CD1 4.22Å; L326-L429 HydrophobicContact CD2-CB 4.02Å; L326-L429 HydrophobicContact CG-CB 4.48Å; I422-L429 HydrophobicContact CG2-CD1 4.37Å; N424-L429 HydrophobicContact CB-CD2 4.01Å; N424-L429 HydrophobicContact CB-CG 4.16Å; N424-L429 WeakPolarHBondContact O-CD1 3.49Å; T425-L429 PolarHBondContact O-N 3.48Å; T425-L429 VanDerWaalsContact O-N 3.11Å; P426-L429 PolarHBondContact O-N 3.22Å; P426-L429 VanDerWaalsContact O-N 3.16Å; L429-N432 PolarHBondContact O-N 3.49Å; L429-G433 PolarHBondContact O-N 3.16Å; L429-L434 HydrophobicContact CB-CB 4.26Å; L429-L434 HydrophobicContact CD2-CB 3.98Å; L429-L434 HydrophobicContact CD2-CD1 3.89Å; L429-L434 WeakPolarHBondContact O-CB 3.44Å; L429-L434 PolarHBondContact O-N 3.12Å
430	W	95.7	Very high	94.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-56.3	-54.6	174.3	-80.8	123.8	0	0	0	113	L325 L326 D348 P426 N432 G433 Y435 T556 Y559 H560	L325-W430 HydrophobicContact CB-CH2 4.28Å; L325-W430 HydrophobicContact CD1-CH2 3.89Å; L325-W430 HydrophobicContact CD1-CZ2 4.24Å; L326-W430 HydrophobicContact CD2-CD2 3.75Å; L326-W430 HydrophobicContact CD2-CE3 4.21Å; L326-W430 HydrophobicContact CD2-CG 4.14Å; L326-W430 HydrophobicContact CD2-CH2 4.25Å; L326-W430 HydrophobicContact CD2-CZ2 3.81Å; L326-W430 HydrophobicContact CD2-CZ3 4.45Å; L326-W430 HydrophobicContact CG-CZ2 4.34Å; D348-W430 PolarHBondContact OD1-NE1 3.18Å; D348-W430 PolarHBondContact OD2-NE1 3.21Å; P426-W430 WeakPolarHBondContact O-CB 3.34Å; P426-W430 PolarHBondContact O-N 2.89Å; W430-N432 PolarHBondContact O-N 3.49Å; W430-N432 VanDerWaalsContact O-N 3.17Å; W430-G433 PolarHBondContact O-N 3.44Å; W430-Y435 HydrophobicContact CD2-CD1 4.41Å; W430-Y435 AromaticContact CE3-CD1 3.36Å; W430-Y435 HydrophobicContact CE3-CD1 3.36Å; W430-Y435 HydrophobicContact CE3-CD2 4.12Å; W430-Y435 AromaticContact CE3-CE1 3.77Å; W430-Y435 HydrophobicContact CE3-CE1 3.77Å; W430-Y435 HydrophobicContact CE3-CE2 4.49Å; W430-Y435 AromaticContact CE3-CG 3.54Å; W430-Y435 HydrophobicContact CE3-CG 3.54Å; W430-Y435 HydrophobicContact CH2-CD2 4.33Å; W430-Y435 HydrophobicContact CH2-CG 4.23Å; W430-Y435 AromaticContact CZ3-CD1 3.63Å; W430-Y435 HydrophobicContact CZ3-CD1 3.63Å; W430-Y435 AromaticContact CZ3-CD2 3.47Å; W430-Y435 HydrophobicContact CZ3-CD2 3.47Å; W430-Y435 VanDerWaalsContact CZ3-CD2 3.47Å; W430-Y435 HydrophobicContact CZ3-CE1 4.06Å; W430-Y435 AromaticContact CZ3-CE2 3.94Å; W430-Y435 HydrophobicContact CZ3-CE2 3.94Å; W430-Y435 AromaticContact CZ3-CG 3.3Å; W430-Y435 HydrophobicContact CZ3-CG 3.3Å; W430-T556 HydrophobicContact CH2-CG2 4.49Å; W430-T556 HydrophobicContact CZ2-CG2 3.78Å; W430-Y559 HydrophobicContact CB-CD1 3.94Å; W430-Y559 HydrophobicContact CB-CD2 3.64Å; W430-Y559 HydrophobicContact CB-CE2 4.24Å; W430-Y559 HydrophobicContact CB-CG 3.49Å; W430-Y559 VanDerWaalsContact CB-CG 3.49Å; W430-Y559 AromaticContact CD1-CD2 3.63Å; W430-Y559 HydrophobicContact CD2-CD2 4.32Å; W430-Y559 HydrophobicContact CD2-CG 4.31Å; W430-Y559 AromaticContact CG-CD2 3.58Å; W430-Y559 HydrophobicContact CG-CD2 3.58Å; W430-Y559 HydrophobicContact CG-CE2 4.41Å; W430-Y559 AromaticContact CG-CG 3.75Å; W430-Y559 HydrophobicContact CG-CG 3.75Å; W430-H560 HydrophobicContact CH2-CB 4.23Å; W430-H560 HydrophobicContact CZ3-CB 3.93Å; W430-H560 AromaticContact CZ3-CD2 3.97Å
431	T	94.1	Very high	94.6	Very high	34 Å²	34	31.9 Å²	31.9	21%	0.209	16%	0.161	C	C	.	.	H	α-helix	trans	-68.7	-15.9	-174.2	54.5	0	0	0	0	114.4	K427 Y428 Y559 F565	K427-T431 HydrophobicContact CG-CG2 4.49Å; K427-T431 WeakPolarHBondContact O-CB 3.26Å; K427-T431 VanDerWaalsContact O-CG2 3.26Å; K427-T431 WeakPolarHBondContact O-CG2 3.48Å; K427-T431 PolarHBondContact O-N 3.23Å; K427-T431 PolarHBondContact O-OG1 3.33Å; Y428-T431 PolarHBondContact O-N 3.37Å; Y428-T431 PolarHBondContact O-OG1 2.74Å; T431-Y559 HydrophobicContact CG2-CD1 4.08Å; T431-Y559 HydrophobicContact CG2-CE1 3.52Å; T431-F565 HydrophobicContact CG2-CD1 4.38Å; T431-F565 HydrophobicContact CG2-CE1 3.93Å; T431-F565 HydrophobicContact CG2-CZ 4.14Å; T431-F565 WeakPolarHBondContact O-CD1 3.49Å
432	N	93.6	Very high	94.8	Very high	43 Å²	43	31.9 Å²	31.9	23%	0.23	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	5.2	175.1	-69.4	-65.5	0	0	0	113.8	Y428 L429 W430 L434	Y428-N432 WeakPolarHBondContact CD2-ND2 3.48Å; Y428-N432 VanDerWaalsContact CE2-ND2 3.33Å; Y428-N432 WeakPolarHBondContact CE2-ND2 2.81Å; Y428-N432 WeakPolarHBondContact O-CB 3.23Å; Y428-N432 PolarHBondContact O-N 2.7Å; Y428-N432 VanDerWaalsContact O-N 3.16Å; Y428-N432 PolarHBondContact O-ND2 2.99Å; L429-N432 PolarHBondContact O-N 3.49Å; W430-N432 PolarHBondContact O-N 3.49Å; W430-N432 VanDerWaalsContact O-N 3.17Å; N432-L434 VanDerWaalsContact C-N 3.29Å; N432-L434 HydrophobicContact CB-CD1 4.22Å; N432-L434 HydrophobicContact CB-CG 4.14Å
433	G	91.6	Very high	95	Very high	9 Å²	9	31.8 Å²	31.8	9%	0.093	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	24.1	178.8	0	0	0	0	0	113.3	L429 W430 Y435 F565	L429-G433 PolarHBondContact O-N 3.16Å; W430-G433 PolarHBondContact O-N 3.44Å; G433-Y435 VanDerWaalsContact C-N 3.31Å; G433-Y435 PolarHBondContact O-N 3.01Å; G433-F565 WeakPolarHBondContact CA-O 3.47Å; G433-F565 PolarHBondContact N-O 3.02Å
434	L	93.6	Very high	95.2	Very high	43 Å²	43	28.3 Å²	28.3	23%	0.225	14%	0.143	C	C	.	.			trans	-95.2	57.5	-177.3	-63.5	179.1	0	0	0	110.5	R332 Y428 L429 N432	R332-L434 WeakPolarHBondContact CD-O 3.34Å; R332-L434 PolarHBondContact NH1-O 2.7Å; Y428-L434 HydrophobicContact CE1-CD1 4.12Å; L429-L434 HydrophobicContact CB-CB 4.26Å; L429-L434 HydrophobicContact CD2-CB 3.98Å; L429-L434 HydrophobicContact CD2-CD1 3.89Å; L429-L434 WeakPolarHBondContact O-CB 3.44Å; L429-L434 PolarHBondContact O-N 3.12Å; N432-L434 VanDerWaalsContact C-N 3.29Å; N432-L434 HydrophobicContact CB-CD1 4.22Å; N432-L434 HydrophobicContact CB-CG 4.14Å
435	Y	94.2	Very high	95.4	Very high	6 Å²	6	25.7 Å²	25.7	2%	0.024	13%	0.129	C	C	.	.	S	Bend	trans	-143.2	164.1	-177.3	63.2	-98.7	0	0	0	111.3	L325 W430 G433 H437 H560 N582	L325-Y435 CarbonylContact O-C 3.28Å; L325-Y435 VanDerWaalsContact O-CA 3.29Å; L325-Y435 WeakPolarHBondContact O-CA 3.41Å; W430-Y435 HydrophobicContact CD2-CD1 4.41Å; W430-Y435 AromaticContact CE3-CD1 3.36Å; W430-Y435 HydrophobicContact CE3-CD1 3.36Å; W430-Y435 HydrophobicContact CE3-CD2 4.12Å; W430-Y435 AromaticContact CE3-CE1 3.77Å; W430-Y435 HydrophobicContact CE3-CE1 3.77Å; W430-Y435 HydrophobicContact CE3-CE2 4.49Å; W430-Y435 AromaticContact CE3-CG 3.54Å; W430-Y435 HydrophobicContact CE3-CG 3.54Å; W430-Y435 HydrophobicContact CH2-CD2 4.33Å; W430-Y435 HydrophobicContact CH2-CG 4.23Å; W430-Y435 AromaticContact CZ3-CD1 3.63Å; W430-Y435 HydrophobicContact CZ3-CD1 3.63Å; W430-Y435 AromaticContact CZ3-CD2 3.47Å; W430-Y435 HydrophobicContact CZ3-CD2 3.47Å; W430-Y435 VanDerWaalsContact CZ3-CD2 3.47Å; W430-Y435 HydrophobicContact CZ3-CE1 4.06Å; W430-Y435 AromaticContact CZ3-CE2 3.94Å; W430-Y435 HydrophobicContact CZ3-CE2 3.94Å; W430-Y435 AromaticContact CZ3-CG 3.3Å; W430-Y435 HydrophobicContact CZ3-CG 3.3Å; G433-Y435 VanDerWaalsContact C-N 3.31Å; G433-Y435 PolarHBondContact O-N 3.01Å; Y435-H437 AromaticContact CE2-CE1 3.34Å; Y435-H437 WeakPolarHBondContact CE2-CE1 3.36Å; Y435-H437 AromaticContact CE2-ND1 3.42Å; Y435-H437 WeakPolarHBondContact CE2-ND1 3.47Å; Y435-H437 AromaticContact CZ-CE1 3.41Å; Y435-H437 VanDerWaalsContact CZ-CE1 3.41Å; Y435-H437 AromaticContact CZ-ND1 3.89Å; Y435-H437 PolarHBondContact O-CD2 3.42Å; Y435-H437 PolarHBondContact O-N 3.19Å; Y435-H437 PolarHBondContact OH-CE1 3.17Å; Y435-H560 AromaticContact CE2-CD2 3.95Å; Y435-N582 VanDerWaalsContact CE2-ND2 3.27Å; Y435-N582 WeakPolarHBondContact CE2-ND2 3.46Å; Y435-N582 PolarHBondContact OH-ND2 3.12Å
436	A	93.9	Very high	95.5	Very high	6 Å²	6	24.7 Å²	24.7	5%	0.05	12%	0.123	C	C	.	.			trans	-74.3	120.8	177.1	0	0	0	0	0	110.6	L325 G331 R332 I438	L325-A436 HydrophobicContact CB-CB 4.44Å; L325-A436 HydrophobicContact CD2-CB 4.01Å; L325-A436 PolarHBondContact O-N 3Å; G331-A436 WeakPolarHBondContact O-CB 3.42Å; R332-A436 HydrophobicContact CG-CB 4.33Å; A436-I438 VanDerWaalsContact C-N 3.34Å; A436-I438 HydrophobicContact CB-CD1 4.45Å; A436-I438 HydrophobicContact CB-CG1 4.29Å; A436-I438 PolarHBondContact O-N 2.65Å; A436-I438 VanDerWaalsContact O-N 3.09Å
437	H	92.3	Very high	95.5	Very high	59 Å²	59	25 Å²	25	27%	0.273	12%	0.124	S	C	.	.			trans	-85.8	73	-178.8	-71	-79.8	0	0	0	111.1	Y435 L579 N582	Y435-H437 AromaticContact CE2-CE1 3.34Å; Y435-H437 WeakPolarHBondContact CE2-CE1 3.36Å; Y435-H437 AromaticContact CE2-ND1 3.42Å; Y435-H437 WeakPolarHBondContact CE2-ND1 3.47Å; Y435-H437 AromaticContact CZ-CE1 3.41Å; Y435-H437 VanDerWaalsContact CZ-CE1 3.41Å; Y435-H437 AromaticContact CZ-ND1 3.89Å; Y435-H437 PolarHBondContact O-CD2 3.42Å; Y435-H437 PolarHBondContact O-N 3.19Å; Y435-H437 PolarHBondContact OH-CE1 3.17Å; H437-L579 HydrophobicContact CB-CD2 3.44Å; H437-L579 VanDerWaalsContact CB-CD2 3.44Å; H437-N582 WeakPolarHBondContact CA-OD1 3.33Å; H437-N582 VanDerWaalsContact CB-OD1 3.32Å; H437-N582 WeakPolarHBondContact CB-OD1 3.27Å; H437-N582 PolarHBondContact ND1-ND2 3.31Å; H437-N582 PolarHBondContact ND1-OD1 2.96Å
438	I	93.9	Very high	95.6	Very high	27 Å²	27	19.5 Å²	19.5	14%	0.138	10%	0.1	C	C	.	.			trans	-129.5	159.2	-175.2	61	171.9	0	0	0	111.8	L325 F338 H339 V341 A436 L440 H560	L325-I438 HydrophobicContact CD2-CD1 3.69Å; L325-I438 HydrophobicContact CD2-CG1 3.78Å; F338-I438 HydrophobicContact CD2-CD1 3.61Å; F338-I438 HydrophobicContact CE2-CD1 3.55Å; H339-I438 WeakPolarHBondContact O-CB 3.47Å; V341-I438 HydrophobicContact CG1-CD1 4.13Å; A436-I438 VanDerWaalsContact C-N 3.34Å; A436-I438 HydrophobicContact CB-CD1 4.45Å; A436-I438 HydrophobicContact CB-CG1 4.29Å; A436-I438 PolarHBondContact O-N 2.65Å; A436-I438 VanDerWaalsContact O-N 3.09Å; I438-L440 PolarHBondContact O-N 3.03Å; I438-H560 PolarHBondContact O-CE1 3.5Å; I438-H560 PolarHBondContact O-NE2 2.67Å
439	P	96.4	Very high	95.6	Very high	27 Å²	27	14.3 Å²	14.3	18%	0.175	8%	0.08	C	C	.	.			trans	-56.8	136.4	176.6	-26	35.1	0	0	0	113.3	H339 R340 V341 H583 F663	H339-P439 WeakPolarHBondContact O-CD 3.47Å; R340-P439 WeakPolarHBondContact CA-O 3.49Å; R340-P439 HydrophobicContact CG-CB 4.32Å; R340-P439 HydrophobicContact CG-CG 4.42Å; V341-P439 PolarHBondContact N-O 3.49Å; P439-H583 WeakPolarHBondContact CA-O 3.42Å; P439-H583 HydrophobicContact CB-CB 4.4Å; P439-F663 HydrophobicContact CB-CE2 3.9Å; P439-F663 HydrophobicContact CB-CZ 3.88Å
440	L	97.5	Very high	95.6	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	129.6	-175.9	-176.6	152.8	0	0	0	110.9	L325 V341 L343 I438 L557 H560 H583 T584 Q585	L325-L440 HydrophobicContact CD1-CD1 3.63Å; V341-L440 HydrophobicContact CG2-CB 3.81Å; V341-L440 HydrophobicContact CG2-CD1 3.73Å; V341-L440 HydrophobicContact CG2-CG 3.64Å; V341-L440 WeakPolarHBondContact O-CA 3.48Å; L343-L440 HydrophobicContact CD1-CD1 4.05Å; L343-L440 HydrophobicContact CD1-CD2 4.5Å; L343-L440 HydrophobicContact CG-CD1 4.43Å; I438-L440 PolarHBondContact O-N 3.03Å; L440-L557 HydrophobicContact CD2-CD2 3.16Å; L440-H560 VanDerWaalsContact CB-CE1 3.43Å; L440-H560 WeakPolarHBondContact CB-CE1 3.22Å; L440-H583 PolarHBondContact N-O 3.49Å; L440-T584 HydrophobicContact CD2-CG2 4.11Å; L440-T584 CarbonylContact O-C 3.48Å; L440-T584 WeakPolarHBondContact O-CA 3.32Å; L440-Q585 PolarHBondContact O-N 3.19Å
441	I	98.2	Very high	95.5	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.005	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	128.4	162.2	-62.5	176.2	0	0	0	108	V341 I342 L343 Q585 Y587 F663 A669 W679	V341-I441 PolarHBondContact O-N 2.9Å; I342-I441 CarbonylContact C-O 3.53Å; I342-I441 VanDerWaalsContact CA-O 3.27Å; I342-I441 WeakPolarHBondContact CA-O 3.46Å; I342-I441 HydrophobicContact CB-CB 4.47Å; I342-I441 HydrophobicContact CD1-CD1 4.29Å; I342-I441 HydrophobicContact CG1-CB 4.18Å; I342-I441 HydrophobicContact CG1-CD1 4.48Å; I342-I441 HydrophobicContact CG2-CB 4.12Å; I342-I441 HydrophobicContact CG2-CG2 4.2Å; L343-I441 PolarHBondContact N-O 2.85Å; I441-Q585 CarbonylContact C-O 3.4Å; I441-Q585 WeakPolarHBondContact CA-O 3.29Å; I441-Q585 HydrophobicContact CG1-CB 4.05Å; I441-Y587 HydrophobicContact CG2-CD1 3.77Å; I441-Y587 HydrophobicContact CG2-CE1 3.98Å; I441-F663 HydrophobicContact CD1-CB 3.92Å; I441-F663 HydrophobicContact CD1-CD1 3.76Å; I441-F663 HydrophobicContact CD1-CD2 3.54Å; I441-F663 HydrophobicContact CD1-CE1 4.07Å; I441-F663 HydrophobicContact CD1-CE2 3.9Å; I441-F663 HydrophobicContact CD1-CG 3.45Å; I441-F663 VanDerWaalsContact CD1-CG 3.45Å; I441-F663 HydrophobicContact CD1-CZ 4.14Å; I441-F663 HydrophobicContact CG1-CD1 4.33Å; I441-F663 HydrophobicContact CG1-CD2 3.94Å; I441-F663 HydrophobicContact CG1-CE1 4.13Å; I441-F663 HydrophobicContact CG1-CE2 3.76Å; I441-F663 HydrophobicContact CG1-CG 4.22Å; I441-F663 HydrophobicContact CG1-CZ 3.85Å; I441-A669 HydrophobicContact CD1-CB 4.36Å; I441-W679 HydrophobicContact CD1-CH2 4.42Å; I441-W679 HydrophobicContact CG2-CH2 4.04Å; I441-W679 HydrophobicContact CG2-CZ2 4.23Å
442	G	98.3	Very high	95.5	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	142.5	165.5	0	0	0	0	0	110.8	L343 Q585 M586 Y587	L343-G442 CarbonylContact O-C 3.59Å; L343-G442 WeakPolarHBondContact O-CA 3.33Å; G442-Q585 PolarHBondContact N-O 2.9Å; G442-M586 CarbonylContact O-C 3.53Å; G442-M586 WeakPolarHBondContact O-CA 3.41Å; G442-Y587 PolarHBondContact O-N 2.92Å
443	G	98	Very high	95.6	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	174.2	168.9	0	0	0	0	0	112.6	L343 S345 L553 Y587	L343-G443 PolarHBondContact O-N 3.17Å; S345-G443 PolarHBondContact N-O 2.92Å; G443-L553 VanDerWaalsContact O-CD2 3.29Å; G443-L553 WeakPolarHBondContact O-CD2 3.42Å; G443-Y587 WeakPolarHBondContact CA-O 3.41Å
444	M	97.8	Very high	95.6	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	163	-176.3	57.6	178.7	-61.7	0	0	109.1	D448 T545 I549 L553 Y587 I588 F589 Y724	M444-D448 VanDerWaalsContact CB-OD2 3.3Å; M444-D448 WeakPolarHBondContact CB-OD2 3.5Å; M444-T545 HydrophobicContact CE-CG2 3.26Å; M444-I549 HydrophobicContact CB-CG2 4.2Å; M444-I549 HydrophobicContact CE-CG2 4.47Å; M444-L553 HydrophobicContact CB-CD2 3.94Å; M444-L553 HydrophobicContact CG-CD2 4.14Å; M444-L553 HydrophobicContact SD-CD2 4.39Å; M444-Y587 PolarHBondContact N-O 3.32Å; M444-I588 HydrophobicContact CG-CD1 3.3Å; M444-I588 HydrophobicContact SD-CD1 3.8Å; M444-F589 PolarHBondContact O-N 2.91Å; M444-Y724 HydrophobicContact SD-CE1 4.33Å
445	V	97.2	Very high	95.5	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	159.4	168.9	-63.4	0	0	0	0	110.8	D447 D448 F589 I604 E609	V445-D447 VanDerWaalsContact C-N 3.31Å; V445-D447 PolarHBondContact O-N 3.36Å; V445-D448 HydrophobicContact CG2-CB 3.83Å; V445-D448 VanDerWaalsContact CG2-OD1 3.23Å; V445-D448 WeakPolarHBondContact CG2-OD1 3.39Å; V445-D448 WeakPolarHBondContact CG2-OD2 3.27Å; V445-D448 PolarHBondContact N-OD2 3.22Å; V445-F589 HydrophobicContact CG1-CB 4.03Å; V445-F589 HydrophobicContact CG1-CD1 4.03Å; V445-F589 HydrophobicContact CG1-CG 4.42Å; V445-I604 HydrophobicContact CB-CG2 3.87Å; V445-I604 HydrophobicContact CG1-CG2 4.07Å; V445-I604 WeakPolarHBondContact CG2-O 3.47Å; V445-E609 HydrophobicContact CG1-CB 4.14Å; V445-E609 HydrophobicContact CG1-CG 4.24Å; V445-E609 VanDerWaalsContact CG1-OE2 3.25Å; V445-E609 WeakPolarHBondContact CG1-OE2 3.14Å
446	V	96.6	Very high	95.4	Very high	26 Å²	26	9.3 Å²	9.3	16%	0.158	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-39.1	-177.1	174	0	0	0	0	112.4	T545 I588 F589 I604 W691	V446-T545 PolarHBondContact O-OG1 3.29Å; V446-I588 HydrophobicContact CG2-CG2 3.94Å; V446-F589 PolarHBondContact N-O 2.8Å; V446-I604 HydrophobicContact CB-CB 4.44Å; V446-I604 HydrophobicContact CB-CD1 3.9Å; V446-I604 HydrophobicContact CG2-CD1 3.93Å; V446-W691 HydrophobicContact CG2-CH2 3.61Å; V446-W691 HydrophobicContact CG2-CZ3 3.84Å
447	D	96.8	Very high	95.2	Very high	10 Å²	10	9.2 Å²	9.2	5%	0.053	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	38.4	-174	-56.9	-63.7	0	0	0	112.8	V445 G449 V450 R541 T545 G603 I604	V445-D447 VanDerWaalsContact C-N 3.31Å; V445-D447 PolarHBondContact O-N 3.36Å; D447-G449 PolarHBondContact O-N 3.07Å; D447-V450 HydrophobicContact CB-CB 4.33Å; D447-V450 VanDerWaalsContact O-CB 3.29Å; D447-V450 WeakPolarHBondContact O-CB 3.32Å; D447-V450 WeakPolarHBondContact O-CG1 3.34Å; D447-V450 PolarHBondContact O-N 3.23Å; D447-R541 VanDerWaalsContact CB-NH1 3.32Å; D447-R541 VanDerWaalsContact CG-CZ 3.48Å; D447-R541 IonicContact OD1-CZ 3.9Å; D447-R541 IonicContact OD1-NH1 2.89Å; D447-R541 PolarHBondContact OD1-NH1 3.15Å; D447-R541 IonicContact OD1-NH2 3.11Å; D447-R541 PolarHBondContact OD1-NH2 2.72Å; D447-R541 IonicContact OD2-CZ 3.19Å; D447-R541 IonicContact OD2-NH1 2.92Å; D447-R541 PolarHBondContact OD2-NH1 2.99Å; D447-R541 IonicContact OD2-NH2 2.63Å; D447-R541 PolarHBondContact OD2-NH2 3.43Å; D447-T545 WeakPolarHBondContact CA-OG1 3.32Å; D447-G603 VanDerWaalsContact OD2-CA 3.3Å; D447-G603 WeakPolarHBondContact OD2-CA 3.48Å; D447-I604 CarbonylContact C-O 3.45Å; D447-I604 WeakPolarHBondContact CA-O 3.26Å; D447-I604 VanDerWaalsContact CB-O 3.3Å; D447-I604 WeakPolarHBondContact CB-O 3.28Å; D447-I604 PolarHBondContact N-O 2.84Å; D447-I604 PolarHBondContact OD2-N 2.86Å
448	D	96.4	Very high	94.9	Very high	5 Å²	5	7.5 Å²	7.5	3%	0.027	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-29	-178.9	-112.1	-38	0	0	0	114.4	S345 M444 V445 V450 T545 I549 P606	S345-D448 WeakPolarHBondContact CB-OD1 3.39Å; S345-D448 VanDerWaalsContact CB-OD2 3.31Å; S345-D448 WeakPolarHBondContact CB-OD2 3.26Å; S345-D448 PolarHBondContact OG-OD2 2.86Å; M444-D448 VanDerWaalsContact CB-OD2 3.3Å; M444-D448 WeakPolarHBondContact CB-OD2 3.5Å; V445-D448 HydrophobicContact CG2-CB 3.83Å; V445-D448 VanDerWaalsContact CG2-OD1 3.23Å; V445-D448 WeakPolarHBondContact CG2-OD1 3.39Å; V445-D448 WeakPolarHBondContact CG2-OD2 3.27Å; V445-D448 PolarHBondContact N-OD2 3.22Å; D448-V450 VanDerWaalsContact C-N 3.35Å; D448-T545 HydrophobicContact CB-CG2 3.9Å; D448-T545 PolarHBondContact N-OG1 3.14Å; D448-T545 VanDerWaalsContact N-OG1 3.17Å; D448-I549 HydrophobicContact CB-CB 4.13Å; D448-I549 HydrophobicContact CB-CG1 3.89Å; D448-I549 HydrophobicContact CB-CG2 4.34Å; D448-P606 WeakPolarHBondContact O-CG 3.28Å
449	G	95.8	Very high	94.5	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	0.3	178.6	0	0	0	0	0	115.1	D447 F451 H452 A453 W544 T545	D447-G449 PolarHBondContact O-N 3.07Å; G449-F451 PolarHBondContact O-N 3.4Å; G449-H452 WeakPolarHBondContact O-CB 3.33Å; G449-H452 PolarHBondContact O-N 3.03Å; G449-H452 VanDerWaalsContact O-N 3.14Å; G449-A453 PolarHBondContact O-N 3.07Å; G449-W544 WeakPolarHBondContact O-CB 3.47Å; G449-T545 PolarHBondContact N-OG1 3.39Å
450	V	95.9	Very high	93.9	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-60.8	-39.7	-167.4	64	0	0	0	0	114.3	D447 D448 H452 A453 L454 W537 R541 I602	D447-V450 HydrophobicContact CB-CB 4.33Å; D447-V450 VanDerWaalsContact O-CB 3.29Å; D447-V450 WeakPolarHBondContact O-CB 3.32Å; D447-V450 WeakPolarHBondContact O-CG1 3.34Å; D447-V450 PolarHBondContact O-N 3.23Å; D448-V450 VanDerWaalsContact C-N 3.35Å; V450-H452 VanDerWaalsContact C-N 3.28Å; V450-H452 PolarHBondContact O-N 2.78Å; V450-A453 CarbonylContact O-C 3.16Å; V450-A453 WeakPolarHBondContact O-CB 3.11Å; V450-A453 PolarHBondContact O-N 3.18Å; V450-A453 VanDerWaalsContact O-N 3.14Å; V450-L454 HydrophobicContact CG2-CD1 4.11Å; V450-L454 HydrophobicContact CG2-CG 4.41Å; V450-L454 WeakPolarHBondContact O-CG 3.33Å; V450-L454 PolarHBondContact O-N 3.49Å; V450-W537 HydrophobicContact CG2-CZ2 4.26Å; V450-R541 HydrophobicContact CB-CG 4.4Å; V450-R541 HydrophobicContact CG2-CG 3.98Å; V450-I602 HydrophobicContact CG2-CB 4.32Å
451	F	94.3	Very high	92.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-69.2	-30.6	-179.3	-62.7	-34.6	0	0	0	112.2	W164 F165 F168 G449 L454 A455 I602 Y605 P606	W164-F451 HydrophobicContact CB-CB 3.88Å; W164-F451 HydrophobicContact CB-CD1 3.39Å; W164-F451 HydrophobicContact CB-CD2 4.5Å; W164-F451 HydrophobicContact CB-CE1 3.99Å; W164-F451 HydrophobicContact CB-CG 3.68Å; W164-F451 HydrophobicContact CG-CD1 4.18Å; F165-F451 HydrophobicContact CB-CD2 3.88Å; F165-F451 HydrophobicContact CB-CE2 4.02Å; F165-F451 HydrophobicContact CD2-CD2 4.1Å; F165-F451 AromaticContact CD2-CE2 3.86Å; F165-F451 HydrophobicContact CD2-CE2 3.86Å; F165-F451 HydrophobicContact CG-CE2 4.39Å; F168-F451 HydrophobicContact CB-CE1 4.33Å; F168-F451 HydrophobicContact CB-CZ 3.9Å; F168-F451 HydrophobicContact CD2-CE1 4.14Å; F168-F451 HydrophobicContact CG-CE1 4.39Å; F168-F451 HydrophobicContact CG-CZ 4.44Å; G449-F451 PolarHBondContact O-N 3.4Å; F451-L454 HydrophobicContact CD1-CD1 4.49Å; F451-A455 VanDerWaalsContact O-CB 3.27Å; F451-A455 WeakPolarHBondContact O-CB 3.4Å; F451-A455 PolarHBondContact O-N 3.42Å; F451-I602 HydrophobicContact CE1-CG2 4.42Å; F451-Y605 HydrophobicContact CE2-CD2 4.16Å; F451-Y605 AromaticContact CZ-CD2 3.68Å; F451-Y605 HydrophobicContact CZ-CD2 3.68Å; F451-Y605 AromaticContact CZ-CG 3.97Å; F451-Y605 HydrophobicContact CZ-CG 3.97Å; F451-P606 HydrophobicContact CD2-CB 4.4Å; F451-P606 HydrophobicContact CD2-CG 3.99Å; F451-P606 HydrophobicContact CE2-CB 4.29Å; F451-P606 HydrophobicContact CE2-CG 4.2Å
452	H	94	Very high	91.6	Very high	18 Å²	18	21.1 Å²	21.1	8%	0.083	11%	0.11	C	C	.	.	H	α-helix	trans	-71.6	-39.3	169.7	-64.7	-66.5	0	0	0	111.9	S161 Y220 D221 K411 G449 V450 L454 A455 S456 W544	S161-H452 WeakPolarHBondContact CB-ND1 3.33Å; S161-H452 PolarHBondContact OG-CE1 3.32Å; S161-H452 VanDerWaalsContact OG-CE1 3.23Å; S161-H452 PolarHBondContact OG-ND1 3.26Å; Y220-H452 AromaticContact CZ-NE2 3.88Å; Y220-H452 PolarHBondContact OH-CE1 3.22Å; Y220-H452 PolarHBondContact OH-NE2 2.97Å; D221-H452 IonicContact OD1-CE1 3.29Å; D221-H452 IonicContact OD1-NE2 3.41Å; D221-H452 IonicContact OD2-CE1 3.49Å; D221-H452 PolarHBondContact OD2-CE1 3.43Å; D221-H452 VanDerWaalsContact OD2-CE1 3.27Å; D221-H452 IonicContact OD2-NE2 3.99Å; K411-H452 PolarHBondContact NZ-CE1 3Å; K411-H452 PolarHBondContact NZ-NE2 3.36Å; G449-H452 WeakPolarHBondContact O-CB 3.33Å; G449-H452 PolarHBondContact O-N 3.03Å; G449-H452 VanDerWaalsContact O-N 3.14Å; V450-H452 VanDerWaalsContact C-N 3.28Å; V450-H452 PolarHBondContact O-N 2.78Å; H452-L454 VanDerWaalsContact C-N 3.31Å; H452-L454 PolarHBondContact O-N 3.13Å; H452-A455 PolarHBondContact O-N 2.93Å; H452-S456 WeakPolarHBondContact O-CB 3.33Å; H452-S456 PolarHBondContact O-N 3.35Å; H452-S456 PolarHBondContact O-OG 2.9Å; H452-W544 HydrophobicContact CB-CD2 4.13Å; H452-W544 HydrophobicContact CB-CE3 3.31Å; H452-W544 HydrophobicContact CB-CZ3 3.77Å
453	A	95	Very high	89.9	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.7	-35.8	175.2	0	0	0	0	0	112.9	G449 V450 S456 I457 W537 Y540 R541 W544	G449-A453 PolarHBondContact O-N 3.07Å; V450-A453 CarbonylContact O-C 3.16Å; V450-A453 WeakPolarHBondContact O-CB 3.11Å; V450-A453 PolarHBondContact O-N 3.18Å; V450-A453 VanDerWaalsContact O-N 3.14Å; A453-S456 PolarHBondContact O-OG 3.09Å; A453-I457 WeakPolarHBondContact O-CD1 3.3Å; A453-I457 WeakPolarHBondContact O-CG1 3.14Å; A453-W537 HydrophobicContact CB-CH2 4.18Å; A453-W537 HydrophobicContact CB-CZ3 4.36Å; A453-Y540 HydrophobicContact CB-CD1 3.94Å; A453-Y540 HydrophobicContact CB-CE1 3.78Å; A453-R541 HydrophobicContact CB-CG 4.12Å; A453-W544 HydrophobicContact CB-CB 4.05Å; A453-W544 HydrophobicContact CB-CD2 4.34Å; A453-W544 HydrophobicContact CB-CG 3.66Å
454	L	92.2	Very high	88	Confident	1 Å²	1	30 Å²	30	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-72.4	-49.6	174.4	-73.2	167	0	0	0	110.7	W164 V450 F451 H452 S456 I457 Y458 L468 W537 I601 I602	W164-L454 HydrophobicContact CD2-CB 4.2Å; W164-L454 HydrophobicContact CD2-CD1 3.85Å; W164-L454 HydrophobicContact CE3-CD1 3.64Å; W164-L454 HydrophobicContact CH2-CD1 4.09Å; W164-L454 HydrophobicContact CZ2-CB 4.07Å; W164-L454 HydrophobicContact CZ2-CD1 4.25Å; W164-L454 HydrophobicContact CZ3-CD1 3.77Å; V450-L454 HydrophobicContact CG2-CD1 4.11Å; V450-L454 HydrophobicContact CG2-CG 4.41Å; V450-L454 WeakPolarHBondContact O-CG 3.33Å; V450-L454 PolarHBondContact O-N 3.49Å; F451-L454 HydrophobicContact CD1-CD1 4.49Å; H452-L454 VanDerWaalsContact C-N 3.31Å; H452-L454 PolarHBondContact O-N 3.13Å; L454-S456 VanDerWaalsContact C-N 3.26Å; L454-S456 PolarHBondContact O-N 2.95Å; L454-I457 WeakPolarHBondContact O-CB 3.34Å; L454-I457 PolarHBondContact O-N 3.38Å; L454-Y458 HydrophobicContact CD2-CE2 4.29Å; L454-Y458 WeakPolarHBondContact O-CD2 3.44Å; L454-Y458 PolarHBondContact O-N 3.44Å; L454-Y458 VanDerWaalsContact O-N 3.15Å; L454-L468 HydrophobicContact CD2-CD1 3.61Å; L454-W537 HydrophobicContact CD2-CH2 3.62Å; L454-W537 HydrophobicContact CD2-CZ2 3.8Å; L454-W537 HydrophobicContact CG-CH2 3.91Å; L454-W537 HydrophobicContact CG-CZ2 4.16Å; L454-I601 HydrophobicContact CD2-CG2 4.41Å; L454-I602 HydrophobicContact CD1-CG2 4.04Å
455	A	91.1	Very high	86.1	Confident	3 Å²	3	35.7 Å²	35.7	3%	0.025	20%	0.196	C	C	.	.	H	α-helix	trans	-56.5	-40.2	178.8	0	0	0	0	0	112.6	S158 F451 H452 I457 Y458 Q459	S158-A455 WeakPolarHBondContact O-CA 3.43Å; F451-A455 VanDerWaalsContact O-CB 3.27Å; F451-A455 WeakPolarHBondContact O-CB 3.4Å; F451-A455 PolarHBondContact O-N 3.42Å; H452-A455 PolarHBondContact O-N 2.93Å; A455-I457 VanDerWaalsContact C-N 3.26Å; A455-I457 PolarHBondContact O-N 3.5Å; A455-Y458 PolarHBondContact O-N 3.01Å; A455-Q459 WeakPolarHBondContact O-CB 3.38Å; A455-Q459 WeakPolarHBondContact O-CG 3.49Å; A455-Q459 PolarHBondContact O-N 3.49Å
456	S	91.2	Very high	84.3	Confident	12 Å²	12	39.3 Å²	39.3	8%	0.084	21%	0.209	C	C	.	.	H	α-helix	trans	-65	-28.4	178.6	65.9	0	0	0	0	113.6	H452 A453 L454 L460 Y540 W544	H452-S456 WeakPolarHBondContact O-CB 3.33Å; H452-S456 PolarHBondContact O-N 3.35Å; H452-S456 PolarHBondContact O-OG 2.9Å; A453-S456 PolarHBondContact O-OG 3.09Å; L454-S456 VanDerWaalsContact C-N 3.26Å; L454-S456 PolarHBondContact O-N 2.95Å; S456-L460 WeakPolarHBondContact O-CG 3.16Å; S456-Y540 PolarHBondContact OG-OH 2.8Å; S456-W544 VanDerWaalsContact OG-CZ2 3.32Å; S456-W544 WeakPolarHBondContact OG-CZ2 3.19Å
457	I	90.1	Very high	82.9	Confident	5 Å²	5	40 Å²	40	3%	0.026	21%	0.212	C	C	.	.	H	α-helix	trans	-75.6	-48.4	175.9	-71.2	164.4	0	0	0	110.1	A453 L454 A455 Q459 L460 L468 M492 L496 W537 Y540	A453-I457 WeakPolarHBondContact O-CD1 3.3Å; A453-I457 WeakPolarHBondContact O-CG1 3.14Å; L454-I457 WeakPolarHBondContact O-CB 3.34Å; L454-I457 PolarHBondContact O-N 3.38Å; A455-I457 VanDerWaalsContact C-N 3.26Å; A455-I457 PolarHBondContact O-N 3.5Å; I457-Q459 PolarHBondContact O-N 3.48Å; I457-L460 VanDerWaalsContact O-CB 3.31Å; I457-L460 WeakPolarHBondContact O-CB 3.18Å; I457-L460 PolarHBondContact O-N 3.27Å; I457-L468 HydrophobicContact CD1-CD1 3.86Å; I457-L468 HydrophobicContact CD1-CD2 4.39Å; I457-L468 HydrophobicContact CD1-CG 4.3Å; I457-M492 HydrophobicContact CD1-CE 3.38Å; I457-M492 HydrophobicContact CG1-CE 4.15Å; I457-L496 HydrophobicContact CD1-CD2 4.27Å; I457-L496 HydrophobicContact CG1-CD2 4.43Å; I457-L496 HydrophobicContact CG2-CD1 4.11Å; I457-L496 HydrophobicContact CG2-CD2 4.16Å; I457-W537 HydrophobicContact CD1-CH2 4.21Å; I457-W537 HydrophobicContact CD1-CZ3 3.63Å; I457-Y540 HydrophobicContact CD1-CE1 4.04Å; I457-Y540 HydrophobicContact CG1-CE1 4.24Å
458	Y	86.4	Confident	81.8	Confident	23 Å²	23	39.7 Å²	39.7	9%	0.09	21%	0.21	C	C	.	.	H	α-helix	trans	-73.3	-14.2	-177.3	-69.3	-69	0	0	0	113.8	F154 S158 K159 W164 L454 A455 L460	F154-Y458 HydrophobicContact CE1-CD1 4.24Å; F154-Y458 AromaticContact CE1-CE1 3.52Å; F154-Y458 HydrophobicContact CE1-CE1 3.52Å; F154-Y458 AromaticContact CE1-CZ 3.73Å; F154-Y458 AromaticContact CZ-CE1 3.88Å; F154-Y458 HydrophobicContact CZ-CE1 3.88Å; F154-Y458 HydrophobicContact CZ-CE2 4.15Å; F154-Y458 AromaticContact CZ-CZ 3.57Å; F154-Y458 WeakPolarHBondContact CZ-OH 3.35Å; S158-Y458 WeakPolarHBondContact OG-CB 3.38Å; K159-Y458 WeakPolarHBondContact CG-O 3.41Å; W164-Y458 HydrophobicContact CH2-CE2 4.18Å; W164-Y458 AromaticContact CZ2-CD2 3.88Å; W164-Y458 HydrophobicContact CZ2-CD2 3.88Å; W164-Y458 AromaticContact CZ2-CE2 3.53Å; W164-Y458 HydrophobicContact CZ2-CE2 3.53Å; L454-Y458 HydrophobicContact CD2-CE2 4.29Å; L454-Y458 WeakPolarHBondContact O-CD2 3.44Å; L454-Y458 PolarHBondContact O-N 3.44Å; L454-Y458 VanDerWaalsContact O-N 3.15Å; A455-Y458 PolarHBondContact O-N 3.01Å; Y458-L460 VanDerWaalsContact C-N 3.27Å
459	Q	85.7	Confident	80.5	Confident	115 Å²	115	40.5 Å²	40.5	54%	0.537	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-18.3	167.4	-77.2	171.5	13.4	0	0	113.1	K159 A455 I457	K159-Q459 HydrophobicContact CB-CG 4.07Å; K159-Q459 HydrophobicContact CG-CG 4.36Å; K159-Q459 PolarHBondContact O-NE2 3.19Å; A455-Q459 WeakPolarHBondContact O-CB 3.38Å; A455-Q459 WeakPolarHBondContact O-CG 3.49Å; A455-Q459 PolarHBondContact O-N 3.49Å; I457-Q459 PolarHBondContact O-N 3.48Å
460	L	84.4	Confident	78.8	Confident	24 Å²	24	44.9 Å²	44.9	13%	0.126	24%	0.238	C	C	.	.	S	Bend	trans	-79.2	137	176.6	-54.9	176.8	0	0	0	110.8	S456 I457 Y458 V462 L496 S500 E503	S456-L460 WeakPolarHBondContact O-CG 3.16Å; I457-L460 VanDerWaalsContact O-CB 3.31Å; I457-L460 WeakPolarHBondContact O-CB 3.18Å; I457-L460 PolarHBondContact O-N 3.27Å; Y458-L460 VanDerWaalsContact C-N 3.27Å; L460-V462 HydrophobicContact CB-CB 4.41Å; L460-V462 HydrophobicContact CB-CG1 3.66Å; L460-V462 HydrophobicContact CB-CG2 4.17Å; L460-V462 HydrophobicContact CD1-CG1 3.94Å; L460-V462 HydrophobicContact CG-CG1 4.46Å; L460-V462 PolarHBondContact O-N 2.96Å; L460-L496 HydrophobicContact CD1-CD1 4.23Å; L460-S500 VanDerWaalsContact CD1-OG 3.27Å; L460-S500 WeakPolarHBondContact CD1-OG 3.4Å; L460-E503 HydrophobicContact CD2-CB 3.54Å; L460-E503 HydrophobicContact CD2-CG 3.62Å
461	D	76	Confident	76.9	Confident	168 Å²	168	47.8 Å²	47.8	90%	0.898	25%	0.253	S	S	*	.			trans	-81.5	72.4	165.5	-164.9	18.9	0	0	0	109.3
462	V	70.1	Confident	74.6	Confident	34 Å²	34	52.9 Å²	52.9	21%	0.206	29%	0.285	C	S	.	.			trans	-101.3	151.7	-178.4	-75.1	0	0	0	0	112.2	L460 W466 L496	L460-V462 HydrophobicContact CB-CB 4.41Å; L460-V462 HydrophobicContact CB-CG1 3.66Å; L460-V462 HydrophobicContact CB-CG2 4.17Å; L460-V462 HydrophobicContact CD1-CG1 3.94Å; L460-V462 HydrophobicContact CG-CG1 4.46Å; L460-V462 PolarHBondContact O-N 2.96Å; V462-W466 HydrophobicContact CB-CE3 3.89Å; V462-W466 HydrophobicContact CG1-CE3 3.61Å; V462-W466 HydrophobicContact CG1-CZ3 3.88Å; V462-L496 HydrophobicContact CG1-CD1 4.46Å; V462-L496 HydrophobicContact CG2-CD1 4.35Å
463	P	63.2	Low	72.3	Confident	73 Å²	73	58.3 Å²	58.3	47%	0.474	31%	0.31	S	S	.	.			trans	-55.6	141.2	173.3	-23.9	33.8	0	0	0	112.1	T465 W466	P463-T465 PolarHBondContact O-N 3.28Å; P463-W466 PolarHBondContact O-N 2.98Å
464	I	58.5	Low	69.9	Low	112 Å²	112	64.7 Å²	64.7	57%	0.574	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-51.3	-29.5	178.9	-63.1	165.6	0	0	0	112.4	W466 N467 N471	I464-W466 PolarHBondContact O-N 3.39Å; I464-W466 VanDerWaalsContact O-N 3.14Å; I464-N467 WeakPolarHBondContact O-CB 3.35Å; I464-N467 VanDerWaalsContact O-CG 3.28Å; I464-N467 PolarHBondContact O-N 3.24Å; I464-N467 VanDerWaalsContact O-N 3.13Å; I464-N467 PolarHBondContact O-ND2 2.78Å; I464-N471 HydrophobicContact CG2-CB 4.49Å; I464-N471 WeakPolarHBondContact CG2-ND2 3.45Å
465	T	57.8	Low	67.7	Low	121 Å²	121	75.2 Å²	75.2	74%	0.742	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-62.2	-15.2	177.2	50.6	0	0	0	0	114.5	P463	P463-T465 PolarHBondContact O-N 3.28Å
466	W	59.2	Low	65.5	Low	75 Å²	75	76.1 Å²	76.1	28%	0.284	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-97.2	7.2	178.4	-66	2.5	0	0	0	112.9	V462 P463 I464 L468 D495 L496 S499	V462-W466 HydrophobicContact CB-CE3 3.89Å; V462-W466 HydrophobicContact CG1-CE3 3.61Å; V462-W466 HydrophobicContact CG1-CZ3 3.88Å; P463-W466 PolarHBondContact O-N 2.98Å; I464-W466 PolarHBondContact O-N 3.39Å; I464-W466 VanDerWaalsContact O-N 3.14Å; W466-L468 PolarHBondContact O-N 3.31Å; W466-D495 HydrophobicContact CH2-CB 3.77Å; W466-D495 HydrophobicContact CZ2-CB 3.63Å; W466-D495 HydrophobicContact CZ3-CB 4.36Å; W466-L496 HydrophobicContact CB-CD1 4.39Å; W466-L496 HydrophobicContact CE3-CB 4.44Å; W466-L496 HydrophobicContact CE3-CD1 4.3Å; W466-L496 WeakPolarHBondContact O-CD2 3.4Å; W466-S499 WeakPolarHBondContact CZ3-OG 3.22Å
467	N	67.4	Low	63.5	Low	42 Å²	42	79.6 Å²	79.6	23%	0.225	41%	0.408	C	S	.	.			trans	-61	138.5	177.2	-77.3	-14.5	0	0	0	111.6	I464 I469 N471 S490	I464-N467 WeakPolarHBondContact O-CB 3.35Å; I464-N467 VanDerWaalsContact O-CG 3.28Å; I464-N467 PolarHBondContact O-N 3.24Å; I464-N467 VanDerWaalsContact O-N 3.13Å; I464-N467 PolarHBondContact O-ND2 2.78Å; N467-I469 WeakPolarHBondContact CB-O 2.96Å; N467-I469 PolarHBondContact O-N 2.96Å; N467-I469 VanDerWaalsContact O-N 3.15Å; N467-N471 PolarHBondContact ND2-ND2 3.49Å; N467-N471 VanDerWaalsContact ND2-ND2 3.11Å; N467-S490 PolarHBondContact O-OG 3.44Å
468	L	73.6	Confident	61.4	Low	2 Å²	2	85.7 Å²	85.7	1%	0.01	44%	0.441	C	S	.	.	S	Bend	trans	-57.9	-22.9	172	-73.9	-178.1	0	0	0	113.2	L454 I457 W466 F489 S490 G491 M492 L496 W537	L454-L468 HydrophobicContact CD2-CD1 3.61Å; I457-L468 HydrophobicContact CD1-CD1 3.86Å; I457-L468 HydrophobicContact CD1-CD2 4.39Å; I457-L468 HydrophobicContact CD1-CG 4.3Å; W466-L468 PolarHBondContact O-N 3.31Å; L468-F489 HydrophobicContact CB-CD2 4.22Å; L468-F489 HydrophobicContact CB-CE2 3.84Å; L468-F489 HydrophobicContact CD1-CE2 4.43Å; L468-F489 HydrophobicContact CD2-CE2 4.05Å; L468-F489 HydrophobicContact CG-CE2 4.32Å; L468-F489 WeakPolarHBondContact O-CA 3.44Å; L468-F489 WeakPolarHBondContact O-CD2 3.49Å; L468-S490 PolarHBondContact O-N 2.92Å; L468-S490 PolarHBondContact O-OG 3.33Å; L468-G491 WeakPolarHBondContact CD2-O 3.46Å; L468-M492 HydrophobicContact CD2-CB 4.1Å; L468-M492 HydrophobicContact CD2-CE 4.48Å; L468-L496 HydrophobicContact CD2-CD2 4.15Å; L468-W537 HydrophobicContact CD1-CH2 3.92Å; L468-W537 HydrophobicContact CD1-CZ2 4.19Å; L468-W537 HydrophobicContact CD1-CZ3 4.09Å; L468-W537 HydrophobicContact CD2-CE3 4.25Å
469	I	69.1	Low	59.6	Low	23 Å²	23	87 Å²	87	12%	0.118	45%	0.454	C	S	.	.	B	Isolated β-bridge	trans	-112.8	129.6	-179.5	-58.5	170.1	0	0	0	106.7	N467 N471 E488	N467-I469 WeakPolarHBondContact CB-O 2.96Å; N467-I469 PolarHBondContact O-N 2.96Å; N467-I469 VanDerWaalsContact O-N 3.15Å; I469-N471 PolarHBondContact O-N 2.82Å; I469-E488 HydrophobicContact CG2-CB 3.86Å
470	N	59.9	Low	57.5	Low	91 Å²	91	89.2 Å²	89.2	49%	0.487	47%	0.469	S	S	.	.			trans	-63.2	107.2	171.1	-79.8	-20.5	0	0	0	108.5	T472 E488 S490	N470-T472 PolarHBondContact O-N 2.97Å; N470-E488 PolarHBondContact N-O 3.13Å; N470-S490 WeakPolarHBondContact OD1-CB 3.36Å
471	N	54.9	Low	55.8	Low	61 Å²	61	96.1 Å²	96.1	33%	0.326	50%	0.5	S	S	.	.			trans	-70	71.1	173.9	-79.3	5.9	0	0	0	110.3	I464 N467 I469 Q473 N474	I464-N471 HydrophobicContact CG2-CB 4.49Å; I464-N471 WeakPolarHBondContact CG2-ND2 3.45Å; N467-N471 PolarHBondContact ND2-ND2 3.49Å; N467-N471 VanDerWaalsContact ND2-ND2 3.11Å; I469-N471 PolarHBondContact O-N 2.82Å; N471-Q473 VanDerWaalsContact C-N 3.25Å; N471-N474 PolarHBondContact ND2-OD1 3.17Å
472	T	47.6	Very low	54.5	Low	108 Å²	108	91.3 Å²	91.3	66%	0.663	47%	0.474	S	S	*	.	S	Bend	trans	-73.5	-23.1	165.4	35	0	0	0	0	111.1	N470	N470-T472 PolarHBondContact O-N 2.97Å
473	Q	45.5	Very low	53.5	Low	132 Å²	132	93.2 Å²	93.2	62%	0.617	48%	0.483	S	S	*	.			trans	-147.6	105.6	178.1	-62.3	-174.1	-1.6	0	0	112.2	N471 R475	N471-Q473 VanDerWaalsContact C-N 3.25Å; Q473-R475 PolarHBondContact O-N 3.38Å
474	N	44.8	Very low	53.4	Low	134 Å²	134	93 Å²	93	72%	0.717	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	11.9	170.2	-86	-12.1	0	0	0	114.8	N471	N471-N474 PolarHBondContact ND2-OD1 3.17Å
475	R	45.7	Very low	53.7	Low	222 Å²	222	88 Å²	88	84%	0.838	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-16.3	-173.3	-65.9	-169.1	-157.6	169.4	7.5	115.5	Q473	Q473-R475 PolarHBondContact O-N 3.38Å
476	A	44.6	Very low	54.2	Low	21 Å²	21	83.6 Å²	83.6	17%	0.174	42%	0.424	C	S	.	.	S	Bend	trans	-102.6	3.5	-165.2	0	0	0	0	0	116.6	L483	A476-L483 HydrophobicContact CB-CD1 3.68Å
477	L	49	Very low	54.7	Low	85 Å²	85	85.1 Å²	85.1	45%	0.445	44%	0.442	S	S	.	.	S	Bend	trans	-86.2	-23.5	176.5	-78.4	159.1	0	0	0	113.3	F154	F154-L477 HydrophobicContact CB-CB 4.05Å; F154-L477 HydrophobicContact CB-CD1 4.44Å; F154-L477 HydrophobicContact CD1-CD1 3.72Å; F154-L477 HydrophobicContact CD1-CD2 4.41Å; F154-L477 HydrophobicContact CD2-CD1 4.45Å; F154-L477 HydrophobicContact CD2-CD2 3.69Å; F154-L477 HydrophobicContact CD2-CG 4.46Å; F154-L477 HydrophobicContact CE1-CD1 4.04Å; F154-L477 HydrophobicContact CE2-CD2 3.85Å; F154-L477 HydrophobicContact CG-CB 4.24Å; F154-L477 HydrophobicContact CG-CD1 3.94Å; F154-L477 HydrophobicContact CG-CD2 3.99Å; F154-L477 HydrophobicContact CG-CG 4.28Å; F154-L477 HydrophobicContact CZ-CD2 4.26Å
478	D	45.7	Very low	54.9	Low	134 Å²	134	85.1 Å²	85.1	72%	0.717	44%	0.441	S	S	*	.	S	Bend	trans	-89.3	-23.9	174.9	-85.1	-7.1	0	0	0	112.9
479	S	48.2	Very low	55.2	Low	51 Å²	51	85.7 Å²	85.7	36%	0.357	44%	0.443	S	S	.	.	S	Bend	trans	-90.1	123.3	174.7	55.9	0	0	0	0	110.3	E481	S479-E481 PolarHBondContact O-N 2.69Å
480	L	43.4	Very low	55.9	Low	161 Å²	161	86.4 Å²	86.4	84%	0.843	45%	0.45	S	S	*	.	S	Bend	trans	-58.3	-4.7	177.3	-119.2	82.1	0	0	0	115.1	L482	L480-L482 PolarHBondContact O-N 3.03Å
481	E	46.9	Very low	57.2	Low	169 Å²	169	82.3 Å²	82.3	79%	0.79	43%	0.429	S	S	*	.			trans	-76.3	77.8	171.2	-71.7	-177.4	169	0	0	109.5	S479 L483	S479-E481 PolarHBondContact O-N 2.69Å; E481-L483 PolarHBondContact O-N 3.02Å
482	L	48.6	Very low	58.9	Low	66 Å²	66	79.4 Å²	79.4	35%	0.346	41%	0.414	S	S	.	.			trans	-63.1	104.8	178.7	-68.2	165.9	0	0	0	109.9	L480 W598	L480-L482 PolarHBondContact O-N 3.03Å; L482-W598 HydrophobicContact CD1-CZ2 4.18Å; L482-W598 HydrophobicContact CD2-CH2 4.47Å; L482-W598 HydrophobicContact CD2-CZ2 3.71Å
483	L	50.6	Low	61	Low	75 Å²	75	76 Å²	76	39%	0.393	40%	0.395	S	S	.	.			trans	-44.6	146.7	149.8	-80.9	150.6	0	0	0	108.9	A476 E481 P485	A476-L483 HydrophobicContact CB-CD1 3.68Å; E481-L483 PolarHBondContact O-N 3.02Å; L483-P485 WeakPolarHBondContact O-CD 3.44Å
484	N	59.8	Low	63.2	Low	68 Å²	68	72.6 Å²	72.6	36%	0.364	38%	0.38	S	S	.	.			trans	-61.4	107	179	-175.4	-10.6	0	0	0	109	N486 T487	N484-N486 PolarHBondContact O-N 3.48Å; N484-N486 VanDerWaalsContact O-N 3.16Å; N484-N486 WeakPolarHBondContact OD1-CB 3.5Å; N484-N486 PolarHBondContact OD1-N 3.19Å; N484-T487 HydrophobicContact CB-CG2 4.14Å; N484-T487 PolarHBondContact O-N 2.97Å; N484-T487 PolarHBondContact O-OG1 3.34Å
485	P	65.8	Low	65.5	Low	8 Å²	8	69.4 Å²	69.4	5%	0.052	36%	0.363	C	S	.	.	H	α-helix	trans	-68.7	-24.2	-169	30.7	-36	0	0	0	110.9	L483 T487 E488 F489 I597 W598 I601	L483-P485 WeakPolarHBondContact O-CD 3.44Å; P485-T487 VanDerWaalsContact C-N 3.35Å; P485-T487 PolarHBondContact O-N 2.91Å; P485-E488 PolarHBondContact O-N 3.35Å; P485-F489 WeakPolarHBondContact O-CB 3.36Å; P485-F489 PolarHBondContact O-N 3.26Å; P485-I597 WeakPolarHBondContact CG-O 3.15Å; P485-W598 HydrophobicContact CB-CD2 4.24Å; P485-W598 HydrophobicContact CB-CE3 4.06Å; P485-W598 HydrophobicContact CB-CH2 4.06Å; P485-W598 HydrophobicContact CB-CZ2 4.24Å; P485-W598 HydrophobicContact CB-CZ3 3.96Å; P485-W598 HydrophobicContact CG-CD2 3.56Å; P485-W598 HydrophobicContact CG-CE3 3.86Å; P485-W598 HydrophobicContact CG-CG 3.97Å; P485-W598 HydrophobicContact CG-CH2 4.28Å; P485-W598 HydrophobicContact CG-CZ2 4.01Å; P485-W598 HydrophobicContact CG-CZ3 4.2Å; P485-I601 HydrophobicContact CB-CD1 3.75Å
486	N	67.1	Low	67.7	Low	27 Å²	27	58.9 Å²	58.9	14%	0.144	32%	0.323	C	S	.	.	H	α-helix	trans	-68.4	-29.1	175.4	-69.8	-10.5	0	0	0	113.1	N484 I597 Q600	N484-N486 PolarHBondContact O-N 3.48Å; N484-N486 VanDerWaalsContact O-N 3.16Å; N484-N486 WeakPolarHBondContact OD1-CB 3.5Å; N484-N486 PolarHBondContact OD1-N 3.19Å; N486-I597 PolarHBondContact ND2-O 3.02Å; N486-I597 PolarHBondContact OD1-O 3.24Å; N486-Q600 HydrophobicContact CB-CB 3.97Å; N486-Q600 PolarHBondContact O-OE1 2.92Å; N486-Q600 WeakPolarHBondContact OD1-CB 3.23Å; N486-Q600 PolarHBondContact OD1-N 3.37Å
487	T	70.1	Confident	70.1	Confident	107 Å²	107	57.9 Å²	57.9	66%	0.656	32%	0.315	S	S	*	.	H	α-helix	trans	-75.2	-26.2	179.9	52.5	0	0	0	0	112.9	N484 P485	N484-T487 HydrophobicContact CB-CG2 4.14Å; N484-T487 PolarHBondContact O-N 2.97Å; N484-T487 PolarHBondContact O-OG1 3.34Å; P485-T487 VanDerWaalsContact C-N 3.35Å; P485-T487 PolarHBondContact O-N 2.91Å
488	E	72	Confident	72.3	Confident	43 Å²	43	58.2 Å²	58.2	20%	0.201	31%	0.31	C	S	.	.	H	α-helix	trans	-97.5	-5.7	179.2	-61.9	-174.9	163.4	0	0	112.9	I469 N470 P485 S490	I469-E488 HydrophobicContact CG2-CB 3.86Å; N470-E488 PolarHBondContact N-O 3.13Å; P485-E488 PolarHBondContact O-N 3.35Å; E488-S490 PolarHBondContact O-N 3.28Å
489	F	80.9	Confident	74.6	Confident	13 Å²	13	53.7 Å²	53.7	6%	0.057	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-71.8	109.3	-179	-177.3	-114.8	0	0	0	111.3	L468 P485 G491 L534 W537 Q600 I601	L468-F489 HydrophobicContact CB-CD2 4.22Å; L468-F489 HydrophobicContact CB-CE2 3.84Å; L468-F489 HydrophobicContact CD1-CE2 4.43Å; L468-F489 HydrophobicContact CD2-CE2 4.05Å; L468-F489 HydrophobicContact CG-CE2 4.32Å; L468-F489 WeakPolarHBondContact O-CA 3.44Å; L468-F489 WeakPolarHBondContact O-CD2 3.49Å; P485-F489 WeakPolarHBondContact O-CB 3.36Å; P485-F489 PolarHBondContact O-N 3.26Å; F489-G491 VanDerWaalsContact C-N 3.31Å; F489-L534 HydrophobicContact CD1-CD2 3.48Å; F489-L534 VanDerWaalsContact CD1-CD2 3.48Å; F489-L534 HydrophobicContact CE1-CD2 3.43Å; F489-L534 VanDerWaalsContact CE1-CD2 3.43Å; F489-W537 HydrophobicContact CE1-CB 4.48Å; F489-W537 AromaticContact CE1-CD1 3.67Å; F489-W537 HydrophobicContact CE1-CG 4.22Å; F489-W537 HydrophobicContact CZ-CB 3.99Å; F489-W537 AromaticContact CZ-CD1 3.23Å; F489-W537 HydrophobicContact CZ-CD2 4.13Å; F489-W537 AromaticContact CZ-CG 3.53Å; F489-W537 HydrophobicContact CZ-CG 3.53Å; F489-W537 AromaticContact CZ-NE1 3.58Å; F489-Q600 HydrophobicContact CD1-CG 3.89Å; F489-Q600 HydrophobicContact CE1-CG 4.39Å; F489-I601 HydrophobicContact CB-CD1 4.3Å; F489-I601 HydrophobicContact CB-CG1 4.04Å; F489-I601 HydrophobicContact CD1-CG1 4.43Å; F489-I601 HydrophobicContact CD2-CD1 4.08Å; F489-I601 HydrophobicContact CD2-CG1 3.65Å; F489-I601 HydrophobicContact CE2-CG1 4.21Å; F489-I601 HydrophobicContact CE2-CG2 4.48Å; F489-I601 HydrophobicContact CG-CD1 4.4Å; F489-I601 HydrophobicContact CG-CG1 3.79Å
490	S	82.7	Confident	76.7	Confident	39 Å²	39	51.4 Å²	51.4	27%	0.273	27%	0.273	S	S	.	.			trans	-83.9	-8.5	-178	59.7	0	0	0	0	113.2	N467 L468 N470 E488 T533	N467-S490 PolarHBondContact O-OG 3.44Å; L468-S490 PolarHBondContact O-N 2.92Å; L468-S490 PolarHBondContact O-OG 3.33Å; N470-S490 WeakPolarHBondContact OD1-CB 3.36Å; E488-S490 PolarHBondContact O-N 3.28Å; S490-T533 VanDerWaalsContact O-CB 3.29Å; S490-T533 WeakPolarHBondContact O-CB 3.38Å; S490-T533 PolarHBondContact O-OG1 2.9Å
491	G	87.2	Confident	79.3	Confident	4 Å²	4	43.8 Å²	43.8	4%	0.041	23%	0.233	C	C	.	.			trans	83.2	-164	-171.4	0	0	0	0	0	112	L468 F489	L468-G491 WeakPolarHBondContact CD2-O 3.46Å; F489-G491 VanDerWaalsContact C-N 3.31Å
492	M	90.9	Very high	81.5	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.005	20%	0.204	C	C	.	.			trans	-108.1	133.1	-178.1	169.7	170.9	-85.6	0	0	110.1	I457 L468 L496 M497 T533 R536 W537 Y540	I457-M492 HydrophobicContact CD1-CE 3.38Å; I457-M492 HydrophobicContact CG1-CE 4.15Å; L468-M492 HydrophobicContact CD2-CB 4.1Å; L468-M492 HydrophobicContact CD2-CE 4.48Å; M492-L496 HydrophobicContact CE-CD2 3.97Å; M492-L496 HydrophobicContact CE-CG 4.26Å; M492-L496 HydrophobicContact CG-CB 4.48Å; M492-L496 HydrophobicContact CG-CD2 4.28Å; M492-M497 HydrophobicContact CG-CB 4.05Å; M492-M497 HydrophobicContact SD-CB 3.63Å; M492-M497 HydrophobicContact SD-CG 3.85Å; M492-T533 PolarHBondContact N-O 3.01Å; M492-R536 HydrophobicContact CG-CG 4.39Å; M492-R536 WeakPolarHBondContact O-CD 3.46Å; M492-R536 PolarHBondContact O-NH1 3.35Å; M492-W537 HydrophobicContact CB-CB 3.96Å; M492-W537 HydrophobicContact CB-CE3 4.46Å; M492-W537 HydrophobicContact CE-CE3 3.7Å; M492-W537 HydrophobicContact CE-CZ3 3.84Å; M492-W537 HydrophobicContact SD-CE3 4.3Å; M492-Y540 HydrophobicContact CE-CD1 3.48Å; M492-Y540 VanDerWaalsContact CE-CD1 3.48Å; M492-Y540 HydrophobicContact CE-CD2 4.12Å; M492-Y540 HydrophobicContact CE-CE1 3.83Å; M492-Y540 HydrophobicContact CE-CE2 4.44Å; M492-Y540 HydrophobicContact CE-CG 3.62Å; M492-Y540 WeakPolarHBondContact SD-CB 3.01Å; M492-Y540 HydrophobicContact SD-CD1 4.03Å; M492-Y540 HydrophobicContact SD-CD2 3.9Å; M492-Y540 HydrophobicContact SD-CG 3.52Å; M492-Y540 VanDerWaalsContact SD-CG 3.52Å
493	S	91.4	Very high	83.6	Confident	37 Å²	37	37.7 Å²	37.7	26%	0.259	20%	0.203	S	C	.	.			trans	-76.2	157.8	170.8	74.9	0	0	0	0	111.6	D495 L496 M497	S493-D495 VanDerWaalsContact C-N 3.29Å; S493-D495 PolarHBondContact O-N 2.95Å; S493-L496 PolarHBondContact O-N 3.12Å; S493-L496 VanDerWaalsContact OG-CB 3.26Å; S493-L496 WeakPolarHBondContact OG-CB 3.25Å; S493-L496 PolarHBondContact OG-N 3.22Å; S493-M497 PolarHBondContact O-N 3.21Å
494	I	92.6	Very high	85.6	Confident	59 Å²	59	34.7 Å²	34.7	30%	0.303	19%	0.188	S	C	.	.	H	α-helix	trans	-65.5	-35.1	176.5	-174.7	58.5	0	0	0	111.8	M497 R498 L521	I494-M497 PolarHBondContact O-N 2.83Å; I494-R498 WeakPolarHBondContact O-CB 3.42Å; I494-R498 PolarHBondContact O-N 3.49Å; I494-L521 HydrophobicContact CD1-CD2 4.1Å
495	D	91.4	Very high	87.2	Confident	68 Å²	68	31.5 Å²	31.5	36%	0.364	17%	0.17	S	C	.	.	H	α-helix	trans	-71.6	-37	180	-59.3	-47.3	0	0	0	112	W466 S493 R498 S499	W466-D495 HydrophobicContact CH2-CB 3.77Å; W466-D495 HydrophobicContact CZ2-CB 3.63Å; W466-D495 HydrophobicContact CZ3-CB 4.36Å; S493-D495 VanDerWaalsContact C-N 3.29Å; S493-D495 PolarHBondContact O-N 2.95Å; D495-R498 IonicContact OD1-CZ 3.95Å; D495-R498 IonicContact OD1-NH1 2.7Å; D495-R498 PolarHBondContact OD1-NH1 3.07Å; D495-S499 VanDerWaalsContact O-CB 3.28Å; D495-S499 WeakPolarHBondContact O-CB 3.14Å; D495-S499 PolarHBondContact O-N 3.41Å; D495-S499 PolarHBondContact O-OG 3.45Å
496	L	92.1	Very high	88.4	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.5	-51.9	170.4	-177.5	65.9	0	0	0	110.3	I457 L460 V462 W466 L468 M492 S493 R498 S499 S500	I457-L496 HydrophobicContact CD1-CD2 4.27Å; I457-L496 HydrophobicContact CG1-CD2 4.43Å; I457-L496 HydrophobicContact CG2-CD1 4.11Å; I457-L496 HydrophobicContact CG2-CD2 4.16Å; L460-L496 HydrophobicContact CD1-CD1 4.23Å; V462-L496 HydrophobicContact CG1-CD1 4.46Å; V462-L496 HydrophobicContact CG2-CD1 4.35Å; W466-L496 HydrophobicContact CB-CD1 4.39Å; W466-L496 HydrophobicContact CE3-CB 4.44Å; W466-L496 HydrophobicContact CE3-CD1 4.3Å; W466-L496 WeakPolarHBondContact O-CD2 3.4Å; L468-L496 HydrophobicContact CD2-CD2 4.15Å; M492-L496 HydrophobicContact CE-CD2 3.97Å; M492-L496 HydrophobicContact CE-CG 4.26Å; M492-L496 HydrophobicContact CG-CB 4.48Å; M492-L496 HydrophobicContact CG-CD2 4.28Å; S493-L496 PolarHBondContact O-N 3.12Å; S493-L496 VanDerWaalsContact OG-CB 3.26Å; S493-L496 WeakPolarHBondContact OG-CB 3.25Å; S493-L496 PolarHBondContact OG-N 3.22Å; L496-R498 VanDerWaalsContact C-N 3.31Å; L496-R498 PolarHBondContact O-N 2.95Å; L496-S499 PolarHBondContact O-N 3.45Å; L496-S499 VanDerWaalsContact O-N 3.12Å; L496-S500 PolarHBondContact O-N 3.14Å; L496-S500 PolarHBondContact O-OG 3.4Å
497	M	94.9	Very high	89.5	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-55.4	-46.3	179.8	-168.7	179.2	-169.3	0	0	112	M492 S493 I494 F501 L521 Y524 R536 Y540	M492-M497 HydrophobicContact CG-CB 4.05Å; M492-M497 HydrophobicContact SD-CB 3.63Å; M492-M497 HydrophobicContact SD-CG 3.85Å; S493-M497 PolarHBondContact O-N 3.21Å; I494-M497 PolarHBondContact O-N 2.83Å; M497-F501 HydrophobicContact CE-CD2 4.5Å; M497-F501 HydrophobicContact CE-CE2 3.45Å; M497-F501 VanDerWaalsContact CE-CE2 3.45Å; M497-F501 HydrophobicContact CE-CZ 3.88Å; M497-F501 HydrophobicContact CG-CD2 4.07Å; M497-F501 HydrophobicContact CG-CE2 3.85Å; M497-F501 PolarHBondContact O-N 2.89Å; M497-F501 HydrophobicContact SD-CE2 4.35Å; M497-L521 HydrophobicContact CB-CD2 4.46Å; M497-L521 HydrophobicContact CG-CD2 4Å; M497-L521 HydrophobicContact SD-CD2 4.07Å; M497-Y524 WeakPolarHBondContact CE-O 3.1Å; M497-R536 HydrophobicContact SD-CG 3.45Å; M497-R536 WeakPolarHBondContact SD-CG 3.47Å; M497-Y540 HydrophobicContact CE-CD2 4.33Å; M497-Y540 HydrophobicContact CG-CD2 3.81Å
498	R	95.5	Very high	90.5	Very high	91 Å²	91	32.7 Å²	32.7	34%	0.343	17%	0.167	S	C	.	.	H	α-helix	trans	-61.8	-46.7	177	-177.8	-177.6	-56.6	109	-1.7	111.3	I494 D495 L496 F501 M502 T517 L521	I494-R498 WeakPolarHBondContact O-CB 3.42Å; I494-R498 PolarHBondContact O-N 3.49Å; D495-R498 IonicContact OD1-CZ 3.95Å; D495-R498 IonicContact OD1-NH1 2.7Å; D495-R498 PolarHBondContact OD1-NH1 3.07Å; L496-R498 VanDerWaalsContact C-N 3.31Å; L496-R498 PolarHBondContact O-N 2.95Å; R498-F501 PolarHBondContact O-N 3.47Å; R498-M502 VanDerWaalsContact O-CB 3.25Å; R498-M502 WeakPolarHBondContact O-CB 3.34Å; R498-M502 PolarHBondContact O-N 3.31Å; R498-T517 HydrophobicContact CG-CG2 4.06Å; R498-L521 HydrophobicContact CB-CD1 4.12Å; R498-L521 HydrophobicContact CB-CD2 4.5Å; R498-L521 HydrophobicContact CG-CD1 4.02Å
499	S	93.5	Very high	91.3	Very high	40 Å²	40	34.8 Å²	34.8	28%	0.28	18%	0.176	S	C	.	.	H	α-helix	trans	-66.2	-41.9	-177.9	-57.5	0	0	0	0	111.5	W466 D495 L496 M502 E503	W466-S499 WeakPolarHBondContact CZ3-OG 3.22Å; D495-S499 VanDerWaalsContact O-CB 3.28Å; D495-S499 WeakPolarHBondContact O-CB 3.14Å; D495-S499 PolarHBondContact O-N 3.41Å; D495-S499 PolarHBondContact O-OG 3.45Å; L496-S499 PolarHBondContact O-N 3.45Å; L496-S499 VanDerWaalsContact O-N 3.12Å; S499-M502 PolarHBondContact O-N 3.4Å; S499-E503 WeakPolarHBondContact O-CB 3.32Å; S499-E503 PolarHBondContact O-N 2.86Å
500	S	93.9	Very high	91.8	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.014	18%	0.179	C	C	.	.	H	α-helix	trans	-67.6	-39.4	177.7	-47.6	0	0	0	0	112.7	L460 L496 M504 Y540	L460-S500 VanDerWaalsContact CD1-OG 3.27Å; L460-S500 WeakPolarHBondContact CD1-OG 3.4Å; L496-S500 PolarHBondContact O-N 3.14Å; L496-S500 PolarHBondContact O-OG 3.4Å; S500-M504 WeakPolarHBondContact O-CB 3.48Å; S500-M504 PolarHBondContact O-N 3.18Å; S500-Y540 WeakPolarHBondContact CB-OH 3.46Å
501	F	96.3	Very high	92.2	Very high	1 Å²	1	37.4 Å²	37.4	0%	0.004	19%	0.189	C	C	.	.	H	α-helix	trans	-67.4	-39.8	171.9	-76.9	-33.4	0	0	0	112.4	M497 R498 E503 M504 V505 T517 L520 L521 Y524 Y540 A543	M497-F501 HydrophobicContact CE-CD2 4.5Å; M497-F501 HydrophobicContact CE-CE2 3.45Å; M497-F501 VanDerWaalsContact CE-CE2 3.45Å; M497-F501 HydrophobicContact CE-CZ 3.88Å; M497-F501 HydrophobicContact CG-CD2 4.07Å; M497-F501 HydrophobicContact CG-CE2 3.85Å; M497-F501 PolarHBondContact O-N 2.89Å; M497-F501 HydrophobicContact SD-CE2 4.35Å; R498-F501 PolarHBondContact O-N 3.47Å; F501-E503 VanDerWaalsContact C-N 3.32Å; F501-E503 PolarHBondContact O-N 2.86Å; F501-M504 HydrophobicContact CD1-CE 3.92Å; F501-M504 HydrophobicContact CD1-SD 4.37Å; F501-M504 PolarHBondContact O-N 3.14Å; F501-V505 WeakPolarHBondContact O-CB 3.37Å; F501-V505 WeakPolarHBondContact O-CG2 3.5Å; F501-V505 PolarHBondContact O-N 3.35Å; F501-T517 HydrophobicContact CB-CG2 4.05Å; F501-L520 HydrophobicContact CB-CD1 4.13Å; F501-L520 HydrophobicContact CD1-CD1 4.1Å; F501-L520 HydrophobicContact CD2-CB 3.9Å; F501-L520 HydrophobicContact CE2-CB 4.07Å; F501-L520 HydrophobicContact CG-CB 4.15Å; F501-L520 HydrophobicContact CG-CD1 4.09Å; F501-L520 HydrophobicContact CZ-CB 4.49Å; F501-L521 HydrophobicContact CD2-CD2 4Å; F501-L521 HydrophobicContact CD2-CG 4.36Å; F501-L521 HydrophobicContact CE2-CD2 4.35Å; F501-Y524 HydrophobicContact CZ-CD2 4.5Å; F501-Y540 HydrophobicContact CD1-CD2 4.26Å; F501-Y540 AromaticContact CD1-CE2 3.74Å; F501-Y540 HydrophobicContact CD1-CE2 3.74Å; F501-Y540 AromaticContact CE1-CD2 3.67Å; F501-Y540 HydrophobicContact CE1-CD2 3.67Å; F501-Y540 AromaticContact CE1-CE2 3.53Å; F501-Y540 HydrophobicContact CE1-CE2 3.53Å; F501-Y540 HydrophobicContact CE2-CD2 4.12Å; F501-Y540 HydrophobicContact CE2-CE2 4.46Å; F501-Y540 HydrophobicContact CG-CE2 4.28Å; F501-Y540 AromaticContact CZ-CD2 3.59Å; F501-Y540 HydrophobicContact CZ-CD2 3.59Å; F501-Y540 AromaticContact CZ-CE2 3.93Å; F501-Y540 HydrophobicContact CZ-CE2 3.93Å; F501-A543 HydrophobicContact CE1-CB 3.96Å; F501-A543 HydrophobicContact CZ-CB 3.84Å
502	M	95	Very high	92.4	Very high	36 Å²	36	38.3 Å²	38.3	18%	0.177	19%	0.193	C	C	.	.	H	α-helix	trans	-59.2	-45.4	176.3	-175.1	68.3	67	0	0	111.3	R498 S499 V505 K506 P513 I514 T517	R498-M502 VanDerWaalsContact O-CB 3.25Å; R498-M502 WeakPolarHBondContact O-CB 3.34Å; R498-M502 PolarHBondContact O-N 3.31Å; S499-M502 PolarHBondContact O-N 3.4Å; M502-V505 PolarHBondContact O-N 3.31Å; M502-K506 HydrophobicContact CG-CD 4.41Å; M502-K506 VanDerWaalsContact O-CG 3.28Å; M502-K506 WeakPolarHBondContact O-CG 3.28Å; M502-K506 PolarHBondContact O-N 3.42Å; M502-P513 HydrophobicContact SD-CB 3.94Å; M502-I514 HydrophobicContact CE-CB 4.48Å; M502-I514 HydrophobicContact CE-CG1 4.03Å; M502-T517 WeakPolarHBondContact CA-OG1 3.37Å; M502-T517 HydrophobicContact CB-CG2 4.39Å; M502-T517 HydrophobicContact CE-CG2 4.07Å
503	E	92.1	Very high	92.6	Very high	72 Å²	72	39.9 Å²	39.9	34%	0.336	20%	0.203	S	C	.	.	H	α-helix	trans	-66.2	-43.9	178.9	-167	60.5	-158	0	0	112.1	L460 S499 F501 V505 K506 N507	L460-E503 HydrophobicContact CD2-CB 3.54Å; L460-E503 HydrophobicContact CD2-CG 3.62Å; S499-E503 WeakPolarHBondContact O-CB 3.32Å; S499-E503 PolarHBondContact O-N 2.86Å; F501-E503 VanDerWaalsContact C-N 3.32Å; F501-E503 PolarHBondContact O-N 2.86Å; E503-V505 VanDerWaalsContact C-N 3.33Å; E503-V505 PolarHBondContact O-N 3.44Å; E503-K506 PolarHBondContact O-N 2.87Å; E503-K506 IonicContact OE2-NZ 2.69Å; E503-N507 PolarHBondContact O-N 3.14Å; E503-N507 PolarHBondContact O-ND2 2.95Å
504	M	92.1	Very high	92.7	Very high	12 Å²	12	43.1 Å²	43.1	6%	0.059	22%	0.216	C	C	.	.	H	α-helix	trans	-54.8	-49	173.6	-179.9	-168.4	76.8	0	0	111.6	S500 F501 K506 N507 D508 L520 W544 R547 W732	S500-M504 WeakPolarHBondContact O-CB 3.48Å; S500-M504 PolarHBondContact O-N 3.18Å; F501-M504 HydrophobicContact CD1-CE 3.92Å; F501-M504 HydrophobicContact CD1-SD 4.37Å; F501-M504 PolarHBondContact O-N 3.14Å; M504-K506 PolarHBondContact O-N 3.41Å; M504-N507 PolarHBondContact O-N 3.14Å; M504-D508 PolarHBondContact O-N 2.99Å; M504-L520 HydrophobicContact CE-CD1 3.36Å; M504-W544 HydrophobicContact CB-CZ2 4.48Å; M504-W544 HydrophobicContact CG-CH2 4.2Å; M504-W544 HydrophobicContact CG-CZ2 4.25Å; M504-W544 HydrophobicContact SD-CH2 4.18Å; M504-W544 HydrophobicContact SD-CZ2 3.89Å; M504-R547 PolarHBondContact SD-NH1 3.42Å; M504-W732 HydrophobicContact CE-CH2 4.07Å
505	V	93.4	Very high	92.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-68.7	-34.1	-177.7	169.4	0	0	0	0	112.2	F501 M502 E503 D508 F509 A510 P513 I516 L520	F501-V505 WeakPolarHBondContact O-CB 3.37Å; F501-V505 WeakPolarHBondContact O-CG2 3.5Å; F501-V505 PolarHBondContact O-N 3.35Å; M502-V505 PolarHBondContact O-N 3.31Å; E503-V505 VanDerWaalsContact C-N 3.33Å; E503-V505 PolarHBondContact O-N 3.44Å; V505-D508 PolarHBondContact O-N 2.66Å; V505-F509 PolarHBondContact O-N 3Å; V505-A510 HydrophobicContact CG1-CB 3.31Å; V505-A510 PolarHBondContact O-N 2.93Å; V505-P513 HydrophobicContact CG1-CB 3.84Å; V505-I516 HydrophobicContact CG1-CB 3.85Å; V505-I516 HydrophobicContact CG1-CD1 4.27Å; V505-I516 HydrophobicContact CG1-CG2 4.09Å; V505-I516 HydrophobicContact CG2-CB 4.31Å; V505-I516 HydrophobicContact CG2-CG2 3.81Å; V505-L520 HydrophobicContact CG2-CD1 3.55Å
506	K	91.4	Very high	93	Very high	107 Å²	107	38 Å²	38	47%	0.465	19%	0.193	S	C	.	.	H	α-helix	trans	-64.5	-43.6	171.4	-75.8	172.4	-179.4	174.8	0	111.6	M502 E503 M504 D508 F509 P513	M502-K506 HydrophobicContact CG-CD 4.41Å; M502-K506 VanDerWaalsContact O-CG 3.28Å; M502-K506 WeakPolarHBondContact O-CG 3.28Å; M502-K506 PolarHBondContact O-N 3.42Å; E503-K506 PolarHBondContact O-N 2.87Å; E503-K506 IonicContact OE2-NZ 2.69Å; M504-K506 PolarHBondContact O-N 3.41Å; K506-D508 PolarHBondContact O-N 2.76Å; K506-F509 WeakPolarHBondContact O-CA 3.32Å; K506-F509 PolarHBondContact O-N 3.45Å; K506-P513 HydrophobicContact CG-CB 4.23Å
507	N	89.8	Confident	93.2	Very high	53 Å²	53	38 Å²	38	28%	0.283	19%	0.193	S	C	.	.	H	α-helix	trans	-65.4	-25.5	176.3	-71.6	-30	0	0	0	112.2	H404 E503 M504 F509	H404-N507 WeakPolarHBondContact CB-O 3.29Å; E503-N507 PolarHBondContact O-N 3.14Å; E503-N507 PolarHBondContact O-ND2 2.95Å; M504-N507 PolarHBondContact O-N 3.14Å; N507-F509 VanDerWaalsContact C-N 3.26Å; N507-F509 VanDerWaalsContact O-CD2 3.27Å; N507-F509 WeakPolarHBondContact O-CD2 3.47Å; N507-F509 WeakPolarHBondContact O-CE2 3.37Å; N507-F509 PolarHBondContact O-N 3Å
508	D	90.5	Very high	93.3	Very high	7 Å²	7	42.1 Å²	42.1	4%	0.037	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	2.7	171.2	-63.9	-21.5	0	0	0	113.4	L409 M504 V505 K506 A510 R547 Y736 L740	L409-D508 HydrophobicContact CD2-CB 4.04Å; M504-D508 PolarHBondContact O-N 2.99Å; V505-D508 PolarHBondContact O-N 2.66Å; K506-D508 PolarHBondContact O-N 2.76Å; D508-A510 PolarHBondContact O-N 3.42Å; D508-R547 IonicContact OD1-CZ 3.81Å; D508-R547 IonicContact OD1-NH1 2.76Å; D508-R547 IonicContact OD1-NH2 3.42Å; D508-R547 PolarHBondContact OD1-NH2 3.17Å; D508-R547 IonicContact OD2-CZ 3.49Å; D508-R547 IonicContact OD2-NH1 3.76Å; D508-R547 PolarHBondContact OD2-NH1 3.4Å; D508-R547 IonicContact OD2-NH2 3.78Å; D508-R547 PolarHBondContact OD2-NH2 3.46Å; D508-Y736 PolarHBondContact OD2-OH 2.78Å; D508-L740 HydrophobicContact CB-CD2 3.9Å
509	F	90.1	Very high	93.3	Very high	88 Å²	88	39 Å²	39	39%	0.386	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	40.4	-179.7	-63.8	-100.8	0	0	0	114.8	H404 R405 P406 V505 K506 N507 L511	H404-F509 HydrophobicContact CB-CE2 3.59Å; H404-F509 HydrophobicContact CB-CZ 4.37Å; H404-F509 VanDerWaalsContact O-CE2 3.28Å; H404-F509 WeakPolarHBondContact O-CE2 3.37Å; H404-F509 VanDerWaalsContact O-CZ 3.27Å; H404-F509 WeakPolarHBondContact O-CZ 3.42Å; R405-F509 VanDerWaalsContact N-CE2 3.32Å; P406-F509 HydrophobicContact CB-CB 3.99Å; P406-F509 HydrophobicContact CB-CG 4.35Å; P406-F509 HydrophobicContact CG-CB 3.74Å; P406-F509 HydrophobicContact CG-CD1 3.77Å; P406-F509 HydrophobicContact CG-CD2 4.38Å; P406-F509 HydrophobicContact CG-CE1 4.49Å; P406-F509 HydrophobicContact CG-CG 3.7Å; V505-F509 PolarHBondContact O-N 3Å; K506-F509 WeakPolarHBondContact O-CA 3.32Å; K506-F509 PolarHBondContact O-N 3.45Å; N507-F509 VanDerWaalsContact C-N 3.26Å; N507-F509 VanDerWaalsContact O-CD2 3.27Å; N507-F509 WeakPolarHBondContact O-CD2 3.47Å; N507-F509 WeakPolarHBondContact O-CE2 3.37Å; N507-F509 PolarHBondContact O-N 3Å; F509-L511 PolarHBondContact O-N 3.2Å
510	A	90.6	Very high	93.5	Very high	14 Å²	14	37.1 Å²	37.1	12%	0.116	19%	0.194	C	C	.	.			trans	-59.3	135.7	172	0	0	0	0	0	112.3	V505 D508 D512 P513 I516 L740	V505-A510 HydrophobicContact CG1-CB 3.31Å; V505-A510 PolarHBondContact O-N 2.93Å; D508-A510 PolarHBondContact O-N 3.42Å; A510-D512 VanDerWaalsContact C-N 3.35Å; A510-P513 HydrophobicContact CB-CB 4.38Å; A510-I516 HydrophobicContact CB-CD1 3.47Å; A510-I516 VanDerWaalsContact CB-CD1 3.47Å; A510-I516 HydrophobicContact CB-CG1 4.41Å; A510-L740 HydrophobicContact CB-CD2 3.92Å
511	L	90.8	Very high	93.6	Very high	93 Å²	93	37.7 Å²	37.7	49%	0.487	20%	0.197	S	C	.	.	S	Bend	trans	-70.4	-30.4	173.9	-63.1	-179.1	0	0	0	112.8	F509 L740 W742 L743	F509-L511 PolarHBondContact O-N 3.2Å; L511-L740 PolarHBondContact N-O 3.15Å; L511-L740 VanDerWaalsContact N-O 3.1Å; L511-W742 VanDerWaalsContact CB-O 3.31Å; L511-W742 WeakPolarHBondContact CB-O 3.31Å; L511-L743 HydrophobicContact CD1-CD2 4.15Å
512	D	92.9	Very high	93.7	Very high	23 Å²	23	43.4 Å²	43.4	12%	0.123	22%	0.222	C	C	.	.	S	Bend	trans	-123	76.2	172.1	-178.7	11.1	0	0	0	110.9	A510 I514 G515 I516 W742 P744	A510-D512 VanDerWaalsContact C-N 3.35Å; D512-I514 PolarHBondContact O-N 3.43Å; D512-G515 PolarHBondContact O-N 3.26Å; D512-G515 PolarHBondContact OD1-N 3.49Å; D512-G515 WeakPolarHBondContact OD2-CA 3.48Å; D512-I516 WeakPolarHBondContact O-CG1 3.45Å; D512-I516 PolarHBondContact O-N 3.13Å; D512-I516 VanDerWaalsContact O-N 3.14Å; D512-W742 PolarHBondContact N-O 3.43Å; D512-P744 HydrophobicContact CB-CB 4.28Å
513	P	93.3	Very high	93.7	Very high	34 Å²	34	45.1 Å²	45.1	22%	0.221	23%	0.23	C	C	.	.	H	α-helix	trans	-62.9	-28.3	-175.1	25.3	-33.9	0	0	0	112.8	M502 V505 K506 A510 T517	M502-P513 HydrophobicContact SD-CB 3.94Å; V505-P513 HydrophobicContact CG1-CB 3.84Å; K506-P513 HydrophobicContact CG-CB 4.23Å; A510-P513 HydrophobicContact CB-CB 4.38Å; P513-T517 VanDerWaalsContact O-CB 3.26Å; P513-T517 WeakPolarHBondContact O-CB 3.45Å; P513-T517 PolarHBondContact O-N 2.91Å; P513-T517 PolarHBondContact O-OG1 3.15Å
514	I	94.7	Very high	94	Very high	104 Å²	104	41.8 Å²	41.8	53%	0.533	21%	0.214	S	C	.	.	H	α-helix	trans	-69.9	-49.2	177.3	-60.2	170.4	0	0	0	110.5	M502 D512 I516 T517 N518	M502-I514 HydrophobicContact CE-CB 4.48Å; M502-I514 HydrophobicContact CE-CG1 4.03Å; D512-I514 PolarHBondContact O-N 3.43Å; I514-I516 PolarHBondContact O-N 3.14Å; I514-T517 PolarHBondContact O-N 3.36Å; I514-N518 PolarHBondContact O-N 3.34Å; I514-N518 PolarHBondContact O-ND2 2.89Å
515	G	94.2	Very high	94.2	Very high	17 Å²	17	42.5 Å²	42.5	18%	0.175	22%	0.219	C	C	.	.	H	α-helix	trans	-59.5	-43.8	178.8	0	0	0	0	0	112.8	D512 N518 S519	D512-G515 PolarHBondContact O-N 3.26Å; D512-G515 PolarHBondContact OD1-N 3.49Å; D512-G515 WeakPolarHBondContact OD2-CA 3.48Å; G515-N518 PolarHBondContact O-N 3.06Å; G515-S519 PolarHBondContact O-N 3Å
516	I	95	Very high	94.3	Very high	2 Å²	2	47 Å²	47	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-69	-42.4	177.8	-54.5	-172.5	0	0	0	111.1	V505 A510 D512 I514 N518 S519 L520 Y736 Q739 L740	V505-I516 HydrophobicContact CG1-CB 3.85Å; V505-I516 HydrophobicContact CG1-CD1 4.27Å; V505-I516 HydrophobicContact CG1-CG2 4.09Å; V505-I516 HydrophobicContact CG2-CB 4.31Å; V505-I516 HydrophobicContact CG2-CG2 3.81Å; A510-I516 HydrophobicContact CB-CD1 3.47Å; A510-I516 VanDerWaalsContact CB-CD1 3.47Å; A510-I516 HydrophobicContact CB-CG1 4.41Å; D512-I516 WeakPolarHBondContact O-CG1 3.45Å; D512-I516 PolarHBondContact O-N 3.13Å; D512-I516 VanDerWaalsContact O-N 3.14Å; I514-I516 PolarHBondContact O-N 3.14Å; I516-N518 VanDerWaalsContact C-N 3.27Å; I516-N518 PolarHBondContact O-N 3.28Å; I516-S519 CarbonylContact O-C 3.59Å; I516-S519 WeakPolarHBondContact O-CA 3.45Å; I516-S519 VanDerWaalsContact O-CB 3.31Å; I516-S519 WeakPolarHBondContact O-CB 3.2Å; I516-S519 PolarHBondContact O-N 3.38Å; I516-L520 HydrophobicContact CG2-CD1 4.27Å; I516-L520 HydrophobicContact CG2-CG 4.43Å; I516-L520 PolarHBondContact O-N 3.23Å; I516-Y736 HydrophobicContact CG2-CD2 4.15Å; I516-Y736 HydrophobicContact CG2-CE2 3.67Å; I516-Q739 HydrophobicContact CD1-CB 3.83Å; I516-Q739 VanDerWaalsContact CD1-O 3.3Å; I516-Q739 WeakPolarHBondContact CD1-O 3.27Å; I516-Q739 HydrophobicContact CG1-CB 3.93Å; I516-L740 HydrophobicContact CD1-CD2 3.97Å
517	T	96.9	Very high	94.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-56.8	-43.6	175	-61.3	0	0	0	0	111.1	R498 F501 M502 P513 I514 S519 L520 L521	R498-T517 HydrophobicContact CG-CG2 4.06Å; F501-T517 HydrophobicContact CB-CG2 4.05Å; M502-T517 WeakPolarHBondContact CA-OG1 3.37Å; M502-T517 HydrophobicContact CB-CG2 4.39Å; M502-T517 HydrophobicContact CE-CG2 4.07Å; P513-T517 VanDerWaalsContact O-CB 3.26Å; P513-T517 WeakPolarHBondContact O-CB 3.45Å; P513-T517 PolarHBondContact O-N 2.91Å; P513-T517 PolarHBondContact O-OG1 3.15Å; I514-T517 PolarHBondContact O-N 3.36Å; T517-S519 VanDerWaalsContact C-N 3.33Å; T517-S519 PolarHBondContact O-N 3.03Å; T517-L520 PolarHBondContact O-N 3.27Å; T517-L521 HydrophobicContact CG2-CD1 4.19Å; T517-L521 HydrophobicContact CG2-CG 4.41Å; T517-L521 WeakPolarHBondContact O-CB 3.48Å; T517-L521 VanDerWaalsContact O-CG 3.31Å; T517-L521 WeakPolarHBondContact O-CG 3.33Å; T517-L521 PolarHBondContact O-N 3.35Å
518	N	96.6	Very high	94.7	Very high	89 Å²	89	50.4 Å²	50.4	48%	0.476	26%	0.257	S	S	.	.	H	α-helix	trans	-64.3	-36.3	175.4	-72	-29.2	0	0	0	112.5	I514 G515 I516 F522	I514-N518 PolarHBondContact O-N 3.34Å; I514-N518 PolarHBondContact O-ND2 2.89Å; G515-N518 PolarHBondContact O-N 3.06Å; I516-N518 VanDerWaalsContact C-N 3.27Å; I516-N518 PolarHBondContact O-N 3.28Å; N518-F522 WeakPolarHBondContact O-CB 3.3Å; N518-F522 PolarHBondContact O-N 3.35Å
519	S	95.9	Very high	95	Very high	25 Å²	25	53.4 Å²	53.4	18%	0.175	27%	0.273	C	S	.	.	H	α-helix	trans	-64.6	-41.3	173.7	-171.1	0	0	0	0	112.3	G515 I516 T517 F522 Q523 Y731 Q739	G515-S519 PolarHBondContact O-N 3Å; I516-S519 CarbonylContact O-C 3.59Å; I516-S519 WeakPolarHBondContact O-CA 3.45Å; I516-S519 VanDerWaalsContact O-CB 3.31Å; I516-S519 WeakPolarHBondContact O-CB 3.2Å; I516-S519 PolarHBondContact O-N 3.38Å; T517-S519 VanDerWaalsContact C-N 3.33Å; T517-S519 PolarHBondContact O-N 3.03Å; S519-F522 PolarHBondContact O-N 2.71Å; S519-Q523 PolarHBondContact O-N 3.01Å; S519-Y731 WeakPolarHBondContact OG-CE2 3.35Å; S519-Q739 PolarHBondContact OG-NE2 3.28Å
520	L	97.4	Very high	95.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-67	-46.5	176.6	-73.1	168.9	0	0	0	111.4	F501 M504 V505 I516 T517 F522 Q523 Y524 Y731 W732 Y736	F501-L520 HydrophobicContact CB-CD1 4.13Å; F501-L520 HydrophobicContact CD1-CD1 4.1Å; F501-L520 HydrophobicContact CD2-CB 3.9Å; F501-L520 HydrophobicContact CE2-CB 4.07Å; F501-L520 HydrophobicContact CG-CB 4.15Å; F501-L520 HydrophobicContact CG-CD1 4.09Å; F501-L520 HydrophobicContact CZ-CB 4.49Å; M504-L520 HydrophobicContact CE-CD1 3.36Å; V505-L520 HydrophobicContact CG2-CD1 3.55Å; I516-L520 HydrophobicContact CG2-CD1 4.27Å; I516-L520 HydrophobicContact CG2-CG 4.43Å; I516-L520 PolarHBondContact O-N 3.23Å; T517-L520 PolarHBondContact O-N 3.27Å; L520-F522 PolarHBondContact O-N 3.49Å; L520-Q523 PolarHBondContact O-N 2.94Å; L520-Y524 PolarHBondContact O-N 3.28Å; L520-Y731 HydrophobicContact CD2-CE1 3.62Å; L520-W732 HydrophobicContact CD2-CH2 3.69Å; L520-W732 HydrophobicContact CD2-CZ2 3.78Å; L520-Y736 HydrophobicContact CD1-CE2 4.3Å; L520-Y736 HydrophobicContact CD2-CE2 4.37Å
521	L	97.7	Very high	95.3	Very high	15 Å²	15	60.9 Å²	60.9	8%	0.079	31%	0.305	C	S	.	.	H	α-helix	trans	-56.9	-41.6	173	-72.4	174.6	0	0	0	110.5	I494 M497 R498 F501 T517 T525	I494-L521 HydrophobicContact CD1-CD2 4.1Å; M497-L521 HydrophobicContact CB-CD2 4.46Å; M497-L521 HydrophobicContact CG-CD2 4Å; M497-L521 HydrophobicContact SD-CD2 4.07Å; R498-L521 HydrophobicContact CB-CD1 4.12Å; R498-L521 HydrophobicContact CB-CD2 4.5Å; R498-L521 HydrophobicContact CG-CD1 4.02Å; F501-L521 HydrophobicContact CD2-CD2 4Å; F501-L521 HydrophobicContact CD2-CG 4.36Å; F501-L521 HydrophobicContact CE2-CD2 4.35Å; T517-L521 HydrophobicContact CG2-CD1 4.19Å; T517-L521 HydrophobicContact CG2-CG 4.41Å; T517-L521 WeakPolarHBondContact O-CB 3.48Å; T517-L521 VanDerWaalsContact O-CG 3.31Å; T517-L521 WeakPolarHBondContact O-CG 3.33Å; T517-L521 PolarHBondContact O-N 3.35Å; L521-T525 WeakPolarHBondContact O-CB 3.44Å; L521-T525 PolarHBondContact O-N 3.08Å; L521-T525 PolarHBondContact O-OG1 2.96Å
522	F	96.4	Very high	95.4	Very high	121 Å²	121	58.9 Å²	58.9	53%	0.531	30%	0.295	S	S	.	.	H	α-helix	trans	-62	-46.2	176.9	177	-93.8	0	0	0	112.3	N518 S519 L520 W527	N518-F522 WeakPolarHBondContact O-CB 3.3Å; N518-F522 PolarHBondContact O-N 3.35Å; S519-F522 PolarHBondContact O-N 2.71Å; L520-F522 PolarHBondContact O-N 3.49Å; F522-W527 HydrophobicContact CB-CZ2 4.47Å; F522-W527 AromaticContact CD2-CH2 4Å; F522-W527 HydrophobicContact CD2-CH2 4Å; F522-W527 AromaticContact CD2-CZ2 3.39Å; F522-W527 HydrophobicContact CD2-CZ2 3.39Å; F522-W527 HydrophobicContact CE2-CH2 4.36Å; F522-W527 AromaticContact CE2-CZ2 3.8Å; F522-W527 HydrophobicContact CE2-CZ2 3.8Å; F522-W527 HydrophobicContact CG-CZ2 4.13Å; F522-W527 PolarHBondContact O-NE1 3.09Å
523	Q	96.3	Very high	95.4	Very high	71 Å²	71	60.1 Å²	60.1	33%	0.332	30%	0.303	S	S	.	.	H	α-helix	trans	-70.1	-34.8	-178.9	-84.8	-57.8	-4.7	0	0	114.3	S519 L520 Y731	S519-Q523 PolarHBondContact O-N 3.01Å; L520-Q523 PolarHBondContact O-N 2.94Å; Q523-Y731 HydrophobicContact CG-CD2 4.17Å; Q523-Y731 HydrophobicContact CG-CG 4.35Å
524	Y	97.5	Very high	95.3	Very high	2 Å²	2	61.3 Å²	61.3	1%	0.008	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110	20.4	-174	-68	-78.3	0	0	0	113.1	M497 F501 L520 M539 A543 D546 W732	M497-Y524 WeakPolarHBondContact CE-O 3.1Å; F501-Y524 HydrophobicContact CZ-CD2 4.5Å; L520-Y524 PolarHBondContact O-N 3.28Å; Y524-M539 VanDerWaalsContact CD1-O 3.25Å; Y524-M539 WeakPolarHBondContact CD1-O 3.47Å; Y524-M539 WeakPolarHBondContact O-CB 3.46Å; Y524-M539 WeakPolarHBondContact O-CG 3.38Å; Y524-A543 HydrophobicContact CD1-CB 3.62Å; Y524-A543 HydrophobicContact CD2-CB 3.62Å; Y524-A543 HydrophobicContact CE1-CB 3.62Å; Y524-A543 HydrophobicContact CE2-CB 3.62Å; Y524-A543 HydrophobicContact CG-CB 3.63Å; Y524-A543 VanDerWaalsContact CZ-CA 3.44Å; Y524-D546 WeakPolarHBondContact OH-CB 3.43Å; Y524-D546 PolarHBondContact OH-OD2 3.07Å; Y524-W732 HydrophobicContact CE2-CZ2 4.17Å; Y524-W732 AromaticContact CE2-NE1 3.94Å; Y524-W732 AromaticContact CZ-NE1 3.76Å; Y524-W732 PolarHBondContact OH-NE1 3.24Å
525	T	97.1	Very high	95.3	Very high	28 Å²	28	57.2 Å²	57.2	17%	0.172	29%	0.288	C	S	.	.	S	Bend	trans	-84.6	130.1	165.3	-71.2	0	0	0	0	109.2	L521 W527 K530	L521-T525 WeakPolarHBondContact O-CB 3.44Å; L521-T525 PolarHBondContact O-N 3.08Å; L521-T525 PolarHBondContact O-OG1 2.96Å; T525-W527 VanDerWaalsContact C-N 3.28Å; T525-W527 HydrophobicContact CG2-CD2 4.03Å; T525-W527 HydrophobicContact CG2-CE3 4.4Å; T525-W527 HydrophobicContact CG2-CG 4.35Å; T525-W527 HydrophobicContact CG2-CZ2 4.32Å; T525-W527 PolarHBondContact O-N 2.84Å; T525-W527 PolarHBondContact O-NE1 3.26Å; T525-K530 HydrophobicContact CG2-CG 4.01Å
526	Y	95	Very high	95.4	Very high	95 Å²	95	57.4 Å²	57.4	37%	0.373	28%	0.283	S	S	.	.			trans	-74.5	86.1	167.4	-172.2	-111.5	0	0	0	109.4	P528 D529 K530	Y526-P528 HydrophobicContact CD1-CB 4.45Å; Y526-P528 HydrophobicContact CD2-CG 4.44Å; Y526-P528 HydrophobicContact CE1-CB 3.82Å; Y526-P528 HydrophobicContact CE1-CG 4.13Å; Y526-P528 HydrophobicContact CE2-CB 4.5Å; Y526-P528 HydrophobicContact CE2-CG 3.94Å; Y526-D529 HydrophobicContact CD1-CB 3.98Å; Y526-D529 HydrophobicContact CE1-CB 3.92Å; Y526-D529 CarbonylContact O-C 3.57Å; Y526-D529 PolarHBondContact O-N 2.87Å; Y526-K530 PolarHBondContact O-N 3.32Å
527	W	95.4	Very high	95.3	Very high	124 Å²	124	57.4 Å²	57.4	47%	0.47	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-33.2	-175	-66.8	97.5	0	0	0	116.3	F522 T525 D529 K530	F522-W527 HydrophobicContact CB-CZ2 4.47Å; F522-W527 AromaticContact CD2-CH2 4Å; F522-W527 HydrophobicContact CD2-CH2 4Å; F522-W527 AromaticContact CD2-CZ2 3.39Å; F522-W527 HydrophobicContact CD2-CZ2 3.39Å; F522-W527 HydrophobicContact CE2-CH2 4.36Å; F522-W527 AromaticContact CE2-CZ2 3.8Å; F522-W527 HydrophobicContact CE2-CZ2 3.8Å; F522-W527 HydrophobicContact CG-CZ2 4.13Å; F522-W527 PolarHBondContact O-NE1 3.09Å; T525-W527 VanDerWaalsContact C-N 3.28Å; T525-W527 HydrophobicContact CG2-CD2 4.03Å; T525-W527 HydrophobicContact CG2-CE3 4.4Å; T525-W527 HydrophobicContact CG2-CG 4.35Å; T525-W527 HydrophobicContact CG2-CZ2 4.32Å; T525-W527 PolarHBondContact O-N 2.84Å; T525-W527 PolarHBondContact O-NE1 3.26Å; W527-D529 PolarHBondContact O-N 3.19Å; W527-K530 HydrophobicContact CE3-CD 4.4Å; W527-K530 HydrophobicContact CZ3-CD 4.47Å
528	P	95.5	Very high	95.2	Very high	106 Å²	106	62.8 Å²	62.8	69%	0.688	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-31.1	177	-25.3	35.6	0	0	0	113.7	Y526	Y526-P528 HydrophobicContact CD1-CB 4.45Å; Y526-P528 HydrophobicContact CD2-CG 4.44Å; Y526-P528 HydrophobicContact CE1-CB 3.82Å; Y526-P528 HydrophobicContact CE1-CG 4.13Å; Y526-P528 HydrophobicContact CE2-CB 4.5Å; Y526-P528 HydrophobicContact CE2-CG 3.94Å
529	D	94.9	Very high	95.2	Very high	70 Å²	70	61 Å²	61	37%	0.374	30%	0.296	S	S	.	.			trans	-150.5	89	179.4	-176.6	-1.4	0	0	0	109.8	Y526 W527 E531 N532	Y526-D529 HydrophobicContact CD1-CB 3.98Å; Y526-D529 HydrophobicContact CE1-CB 3.92Å; Y526-D529 CarbonylContact O-C 3.57Å; Y526-D529 PolarHBondContact O-N 2.87Å; W527-D529 PolarHBondContact O-N 3.19Å; D529-E531 VanDerWaalsContact C-N 3.29Å; D529-E531 PolarHBondContact O-N 2.89Å; D529-E531 PolarHBondContact OD1-N 2.72Å; D529-N532 HydrophobicContact CB-CB 4.18Å; D529-N532 PolarHBondContact O-N 2.99Å; D529-N532 PolarHBondContact OD1-N 3.39Å; D529-N532 WeakPolarHBondContact OD2-CB 3.34Å; D529-N532 PolarHBondContact OD2-ND2 3.04Å
530	K	94.1	Very high	95.3	Very high	109 Å²	109	59.8 Å²	59.8	47%	0.474	29%	0.287	S	S	.	.	S	Bend	trans	-70.4	-26.2	-174.2	-62.8	176.7	-176.6	174	0	113.2	T525 Y526 W527 N532 R536	T525-K530 HydrophobicContact CG2-CG 4.01Å; Y526-K530 PolarHBondContact O-N 3.32Å; W527-K530 HydrophobicContact CE3-CD 4.4Å; W527-K530 HydrophobicContact CZ3-CD 4.47Å; K530-N532 VanDerWaalsContact C-N 3.34Å; K530-R536 PolarHBondContact O-NH2 2.83Å
531	E	93	Very high	95.2	Very high	151 Å²	151	60.1 Å²	60.1	71%	0.706	29%	0.289	S	S	*	.	S	Bend	trans	-81.8	-19.5	-176	-62.1	-52.2	144.8	0	0	112	D529 T533 R536	D529-E531 VanDerWaalsContact C-N 3.29Å; D529-E531 PolarHBondContact O-N 2.89Å; D529-E531 PolarHBondContact OD1-N 2.72Å; E531-T533 PolarHBondContact O-N 3.38Å; E531-R536 PolarHBondContact O-NH2 3.22Å
532	N	94.1	Very high	95.2	Very high	50 Å²	50	59.9 Å²	59.9	27%	0.267	29%	0.289	S	S	.	.			trans	-64.6	103.2	179.5	-166.4	-41.8	0	0	0	113.3	D529 K530 L534 S535 R536	D529-N532 HydrophobicContact CB-CB 4.18Å; D529-N532 PolarHBondContact O-N 2.99Å; D529-N532 PolarHBondContact OD1-N 3.39Å; D529-N532 WeakPolarHBondContact OD2-CB 3.34Å; D529-N532 PolarHBondContact OD2-ND2 3.04Å; K530-N532 VanDerWaalsContact C-N 3.34Å; N532-L534 VanDerWaalsContact C-N 3.29Å; N532-L534 PolarHBondContact O-N 3.2Å; N532-L534 WeakPolarHBondContact OD1-CB 3.36Å; N532-L534 PolarHBondContact OD1-N 3.47Å; N532-L534 VanDerWaalsContact OD1-N 3.13Å; N532-S535 PolarHBondContact ND2-OG 2.85Å; N532-S535 PolarHBondContact O-N 3.14Å; N532-S535 PolarHBondContact OD1-N 3.06Å; N532-S535 PolarHBondContact OD1-OG 3.4Å; N532-R536 WeakPolarHBondContact O-CB 3.44Å; N532-R536 PolarHBondContact O-N 3.37Å
533	T	92.5	Very high	95.3	Very high	49 Å²	49	54.2 Å²	54.2	30%	0.301	26%	0.264	S	S	.	.	H	α-helix	trans	-63.5	-31.5	-179.1	60.2	0	0	0	0	112.9	S490 M492 E531 W537	S490-T533 VanDerWaalsContact O-CB 3.29Å; S490-T533 WeakPolarHBondContact O-CB 3.38Å; S490-T533 PolarHBondContact O-OG1 2.9Å; M492-T533 PolarHBondContact N-O 3.01Å; E531-T533 PolarHBondContact O-N 3.38Å; T533-W537 PolarHBondContact O-N 3.4Å
534	L	91.8	Very high	95.3	Very high	59 Å²	59	51.8 Å²	51.8	31%	0.309	25%	0.252	S	S	.	.	H	α-helix	trans	-73.7	-45.3	178.5	-60.7	178.7	0	0	0	111.3	F489 N532 R536 W537 K538	F489-L534 HydrophobicContact CD1-CD2 3.48Å; F489-L534 VanDerWaalsContact CD1-CD2 3.48Å; F489-L534 HydrophobicContact CE1-CD2 3.43Å; F489-L534 VanDerWaalsContact CE1-CD2 3.43Å; N532-L534 VanDerWaalsContact C-N 3.29Å; N532-L534 PolarHBondContact O-N 3.2Å; N532-L534 WeakPolarHBondContact OD1-CB 3.36Å; N532-L534 PolarHBondContact OD1-N 3.47Å; N532-L534 VanDerWaalsContact OD1-N 3.13Å; L534-R536 VanDerWaalsContact C-N 3.28Å; L534-R536 PolarHBondContact O-N 3.09Å; L534-W537 PolarHBondContact O-N 3.35Å; L534-K538 WeakPolarHBondContact O-CG 3.2Å; L534-K538 PolarHBondContact O-N 2.93Å
535	S	94.4	Very high	95.3	Very high	18 Å²	18	51.7 Å²	51.7	13%	0.126	25%	0.251	C	S	.	.	H	α-helix	trans	-63.1	-38.6	174.1	-66.1	0	0	0	0	111	N532 K538 M539	N532-S535 PolarHBondContact ND2-OG 2.85Å; N532-S535 PolarHBondContact O-N 3.14Å; N532-S535 PolarHBondContact OD1-N 3.06Å; N532-S535 PolarHBondContact OD1-OG 3.4Å; S535-K538 WeakPolarHBondContact O-CB 3.43Å; S535-K538 PolarHBondContact O-N 3.13Å; S535-M539 WeakPolarHBondContact O-CG 3.37Å; S535-M539 PolarHBondContact O-N 2.93Å
536	R	95.1	Very high	95.4	Very high	22 Å²	22	50.4 Å²	50.4	8%	0.083	24%	0.243	C	C	.	.	H	α-helix	trans	-58.6	-47.1	173.2	-165.8	179.6	-54.1	129.7	-3.2	111.9	M492 M497 K530 E531 N532 L534 K538 M539 Y540	M492-R536 HydrophobicContact CG-CG 4.39Å; M492-R536 WeakPolarHBondContact O-CD 3.46Å; M492-R536 PolarHBondContact O-NH1 3.35Å; M497-R536 HydrophobicContact SD-CG 3.45Å; M497-R536 WeakPolarHBondContact SD-CG 3.47Å; K530-R536 PolarHBondContact O-NH2 2.83Å; E531-R536 PolarHBondContact O-NH2 3.22Å; N532-R536 WeakPolarHBondContact O-CB 3.44Å; N532-R536 PolarHBondContact O-N 3.37Å; L534-R536 VanDerWaalsContact C-N 3.28Å; L534-R536 PolarHBondContact O-N 3.09Å; R536-K538 PolarHBondContact O-N 3.12Å; R536-M539 PolarHBondContact O-N 2.75Å; R536-Y540 PolarHBondContact O-N 3.24Å
537	W	94.7	Very high	95.4	Very high	1 Å²	1	46.6 Å²	46.6	0%	0.004	23%	0.228	C	C	.	.	H	α-helix	trans	-60.2	-44.7	175	171.1	-122.8	0	0	0	112.7	V450 A453 L454 I457 L468 F489 M492 T533 L534 M539 Y540 R541 I601	V450-W537 HydrophobicContact CG2-CZ2 4.26Å; A453-W537 HydrophobicContact CB-CH2 4.18Å; A453-W537 HydrophobicContact CB-CZ3 4.36Å; L454-W537 HydrophobicContact CD2-CH2 3.62Å; L454-W537 HydrophobicContact CD2-CZ2 3.8Å; L454-W537 HydrophobicContact CG-CH2 3.91Å; L454-W537 HydrophobicContact CG-CZ2 4.16Å; I457-W537 HydrophobicContact CD1-CH2 4.21Å; I457-W537 HydrophobicContact CD1-CZ3 3.63Å; L468-W537 HydrophobicContact CD1-CH2 3.92Å; L468-W537 HydrophobicContact CD1-CZ2 4.19Å; L468-W537 HydrophobicContact CD1-CZ3 4.09Å; L468-W537 HydrophobicContact CD2-CE3 4.25Å; F489-W537 HydrophobicContact CE1-CB 4.48Å; F489-W537 AromaticContact CE1-CD1 3.67Å; F489-W537 HydrophobicContact CE1-CG 4.22Å; F489-W537 HydrophobicContact CZ-CB 3.99Å; F489-W537 AromaticContact CZ-CD1 3.23Å; F489-W537 HydrophobicContact CZ-CD2 4.13Å; F489-W537 AromaticContact CZ-CG 3.53Å; F489-W537 HydrophobicContact CZ-CG 3.53Å; F489-W537 AromaticContact CZ-NE1 3.58Å; M492-W537 HydrophobicContact CB-CB 3.96Å; M492-W537 HydrophobicContact CB-CE3 4.46Å; M492-W537 HydrophobicContact CE-CE3 3.7Å; M492-W537 HydrophobicContact CE-CZ3 3.84Å; M492-W537 HydrophobicContact SD-CE3 4.3Å; T533-W537 PolarHBondContact O-N 3.4Å; L534-W537 PolarHBondContact O-N 3.35Å; W537-M539 VanDerWaalsContact C-N 3.3Å; W537-M539 PolarHBondContact O-N 3.32Å; W537-Y540 AromaticContact CE3-CD1 3.97Å; W537-Y540 HydrophobicContact CE3-CD1 3.97Å; W537-Y540 AromaticContact CZ3-CD1 3.58Å; W537-Y540 HydrophobicContact CZ3-CD1 3.58Å; W537-Y540 HydrophobicContact CZ3-CE1 4.18Å; W537-Y540 PolarHBondContact O-N 2.85Å; W537-R541 HydrophobicContact CD2-CG 3.81Å; W537-R541 HydrophobicContact CE3-CG 3.94Å; W537-R541 HydrophobicContact CH2-CG 3.59Å; W537-R541 HydrophobicContact CZ2-CG 3.45Å; W537-R541 VanDerWaalsContact CZ2-CG 3.45Å; W537-R541 HydrophobicContact CZ3-CG 3.83Å; W537-R541 PolarHBondContact O-N 2.93Å; W537-I601 WeakPolarHBondContact CZ2-O 3.39Å; W537-I601 PolarHBondContact NE1-O 3.24Å
538	K	94.8	Very high	95.3	Very high	113 Å²	113	41.1 Å²	41.1	49%	0.491	21%	0.208	S	C	.	.	H	α-helix	trans	-57.2	-44.5	175.5	-71.9	175.2	-179.3	178	0	111.6	L534 S535 R536 S542	L534-K538 WeakPolarHBondContact O-CG 3.2Å; L534-K538 PolarHBondContact O-N 2.93Å; S535-K538 WeakPolarHBondContact O-CB 3.43Å; S535-K538 PolarHBondContact O-N 3.13Å; R536-K538 PolarHBondContact O-N 3.12Å; K538-S542 WeakPolarHBondContact O-CB 3.42Å; K538-S542 PolarHBondContact O-N 2.75Å; K538-S542 PolarHBondContact O-OG 2.74Å
539	M	96.8	Very high	95.3	Very high	51 Å²	51	37 Å²	37	25%	0.251	18%	0.179	S	C	.	.	H	α-helix	trans	-67.4	-37.2	177.6	-65.1	-58.7	95.2	0	0	112.5	Y524 S535 R536 W537 S542 A543	Y524-M539 VanDerWaalsContact CD1-O 3.25Å; Y524-M539 WeakPolarHBondContact CD1-O 3.47Å; Y524-M539 WeakPolarHBondContact O-CB 3.46Å; Y524-M539 WeakPolarHBondContact O-CG 3.38Å; S535-M539 WeakPolarHBondContact O-CG 3.37Å; S535-M539 PolarHBondContact O-N 2.93Å; R536-M539 PolarHBondContact O-N 2.75Å; W537-M539 VanDerWaalsContact C-N 3.3Å; W537-M539 PolarHBondContact O-N 3.32Å; M539-S542 WeakPolarHBondContact O-CB 3.23Å; M539-S542 PolarHBondContact O-N 2.79Å; M539-A543 PolarHBondContact O-N 3.23Å
540	Y	97.1	Very high	95.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.9	-50.7	175.9	-175.1	-99.8	0	0	0	111.9	A453 S456 I457 M492 M497 S500 F501 R536 W537 S542 A543 W544	A453-Y540 HydrophobicContact CB-CD1 3.94Å; A453-Y540 HydrophobicContact CB-CE1 3.78Å; S456-Y540 PolarHBondContact OG-OH 2.8Å; I457-Y540 HydrophobicContact CD1-CE1 4.04Å; I457-Y540 HydrophobicContact CG1-CE1 4.24Å; M492-Y540 HydrophobicContact CE-CD1 3.48Å; M492-Y540 VanDerWaalsContact CE-CD1 3.48Å; M492-Y540 HydrophobicContact CE-CD2 4.12Å; M492-Y540 HydrophobicContact CE-CE1 3.83Å; M492-Y540 HydrophobicContact CE-CE2 4.44Å; M492-Y540 HydrophobicContact CE-CG 3.62Å; M492-Y540 WeakPolarHBondContact SD-CB 3.01Å; M492-Y540 HydrophobicContact SD-CD1 4.03Å; M492-Y540 HydrophobicContact SD-CD2 3.9Å; M492-Y540 HydrophobicContact SD-CG 3.52Å; M492-Y540 VanDerWaalsContact SD-CG 3.52Å; M497-Y540 HydrophobicContact CE-CD2 4.33Å; M497-Y540 HydrophobicContact CG-CD2 3.81Å; S500-Y540 WeakPolarHBondContact CB-OH 3.46Å; F501-Y540 HydrophobicContact CD1-CD2 4.26Å; F501-Y540 AromaticContact CD1-CE2 3.74Å; F501-Y540 HydrophobicContact CD1-CE2 3.74Å; F501-Y540 AromaticContact CE1-CD2 3.67Å; F501-Y540 HydrophobicContact CE1-CD2 3.67Å; F501-Y540 AromaticContact CE1-CE2 3.53Å; F501-Y540 HydrophobicContact CE1-CE2 3.53Å; F501-Y540 HydrophobicContact CE2-CD2 4.12Å; F501-Y540 HydrophobicContact CE2-CE2 4.46Å; F501-Y540 HydrophobicContact CG-CE2 4.28Å; F501-Y540 AromaticContact CZ-CD2 3.59Å; F501-Y540 HydrophobicContact CZ-CD2 3.59Å; F501-Y540 AromaticContact CZ-CE2 3.93Å; F501-Y540 HydrophobicContact CZ-CE2 3.93Å; R536-Y540 PolarHBondContact O-N 3.24Å; W537-Y540 AromaticContact CE3-CD1 3.97Å; W537-Y540 HydrophobicContact CE3-CD1 3.97Å; W537-Y540 AromaticContact CZ3-CD1 3.58Å; W537-Y540 HydrophobicContact CZ3-CD1 3.58Å; W537-Y540 HydrophobicContact CZ3-CE1 4.18Å; W537-Y540 PolarHBondContact O-N 2.85Å; Y540-S542 VanDerWaalsContact C-N 3.27Å; Y540-S542 PolarHBondContact O-N 2.99Å; Y540-A543 VanDerWaalsContact O-CB 3.26Å; Y540-A543 WeakPolarHBondContact O-CB 3.24Å; Y540-A543 PolarHBondContact O-N 2.91Å; Y540-W544 AromaticContact CD1-CD1 3.98Å; Y540-W544 AromaticContact CE1-CD1 3.64Å; Y540-W544 AromaticContact CE1-NE1 3.27Å; Y540-W544 VanDerWaalsContact CE1-NE1 3.27Å; Y540-W544 AromaticContact CE2-NE1 3.73Å; Y540-W544 AromaticContact CZ-CD1 3.85Å; Y540-W544 AromaticContact CZ-NE1 3.08Å; Y540-W544 PolarHBondContact O-N 3.33Å; Y540-W544 PolarHBondContact OH-NE1 2.78Å
541	R	95.5	Very high	95.5	Very high	7 Å²	7	29 Å²	29	3%	0.026	14%	0.143	C	C	.	.	H	α-helix	trans	-58.7	-41.1	174.4	-66.9	-170.8	-69.6	135.8	15.2	112.2	D447 V450 A453 W537 A543 W544 T545 I602 G603	D447-R541 VanDerWaalsContact CB-NH1 3.32Å; D447-R541 VanDerWaalsContact CG-CZ 3.48Å; D447-R541 IonicContact OD1-CZ 3.9Å; D447-R541 IonicContact OD1-NH1 2.89Å; D447-R541 PolarHBondContact OD1-NH1 3.15Å; D447-R541 IonicContact OD1-NH2 3.11Å; D447-R541 PolarHBondContact OD1-NH2 2.72Å; D447-R541 IonicContact OD2-CZ 3.19Å; D447-R541 IonicContact OD2-NH1 2.92Å; D447-R541 PolarHBondContact OD2-NH1 2.99Å; D447-R541 IonicContact OD2-NH2 2.63Å; D447-R541 PolarHBondContact OD2-NH2 3.43Å; V450-R541 HydrophobicContact CB-CG 4.4Å; V450-R541 HydrophobicContact CG2-CG 3.98Å; A453-R541 HydrophobicContact CB-CG 4.12Å; W537-R541 HydrophobicContact CD2-CG 3.81Å; W537-R541 HydrophobicContact CE3-CG 3.94Å; W537-R541 HydrophobicContact CH2-CG 3.59Å; W537-R541 HydrophobicContact CZ2-CG 3.45Å; W537-R541 VanDerWaalsContact CZ2-CG 3.45Å; W537-R541 HydrophobicContact CZ3-CG 3.83Å; W537-R541 PolarHBondContact O-N 2.93Å; R541-A543 PolarHBondContact O-N 2.8Å; R541-W544 PolarHBondContact O-N 2.96Å; R541-W544 VanDerWaalsContact O-N 3.13Å; R541-T545 PolarHBondContact O-N 2.65Å; R541-T545 PolarHBondContact O-OG1 2.91Å; R541-I602 PolarHBondContact NH1-O 2.89Å; R541-G603 VanDerWaalsContact NH1-N 3.17Å
542	S	97.5	Very high	95.7	Very high	11 Å²	11	21.9 Å²	21.9	8%	0.077	11%	0.11	C	C	.	.	H	α-helix	trans	-59	-31.6	175.1	-73	0	0	0	0	113.2	K538 M539 Y540 D546 R725	K538-S542 WeakPolarHBondContact O-CB 3.42Å; K538-S542 PolarHBondContact O-N 2.75Å; K538-S542 PolarHBondContact O-OG 2.74Å; M539-S542 WeakPolarHBondContact O-CB 3.23Å; M539-S542 PolarHBondContact O-N 2.79Å; Y540-S542 VanDerWaalsContact C-N 3.27Å; Y540-S542 PolarHBondContact O-N 2.99Å; S542-D546 PolarHBondContact O-N 3.4Å; S542-D546 VanDerWaalsContact O-N 3.08Å; S542-D546 VanDerWaalsContact O-OD1 3.11Å; S542-R725 VanDerWaalsContact CB-NH1 3.3Å; S542-R725 PolarHBondContact O-NH1 3.18Å; S542-R725 PolarHBondContact O-NH2 2.69Å
543	A	98	Very high	95.9	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.008	10%	0.098	C	C	.	.	H	α-helix	trans	-67.6	-44.3	174.1	0	0	0	0	0	112	F501 Y524 M539 Y540 R541 D546 R547	F501-A543 HydrophobicContact CE1-CB 3.96Å; F501-A543 HydrophobicContact CZ-CB 3.84Å; Y524-A543 HydrophobicContact CD1-CB 3.62Å; Y524-A543 HydrophobicContact CD2-CB 3.62Å; Y524-A543 HydrophobicContact CE1-CB 3.62Å; Y524-A543 HydrophobicContact CE2-CB 3.62Å; Y524-A543 HydrophobicContact CG-CB 3.63Å; Y524-A543 VanDerWaalsContact CZ-CA 3.44Å; M539-A543 PolarHBondContact O-N 3.23Å; Y540-A543 VanDerWaalsContact O-CB 3.26Å; Y540-A543 WeakPolarHBondContact O-CB 3.24Å; Y540-A543 PolarHBondContact O-N 2.91Å; R541-A543 PolarHBondContact O-N 2.8Å; A543-D546 PolarHBondContact O-N 3.01Å; A543-R547 WeakPolarHBondContact O-CB 3.46Å; A543-R547 PolarHBondContact O-N 3.14Å
544	W	97.1	Very high	96.1	Very high	21 Å²	21	17.4 Å²	17.4	8%	0.08	8%	0.084	C	C	.	.	H	α-helix	trans	-64.7	-40.9	175.2	-73.7	88.9	0	0	0	111.8	G449 H452 A453 S456 M504 Y540 R541 D546 R547 F548	G449-W544 WeakPolarHBondContact O-CB 3.47Å; H452-W544 HydrophobicContact CB-CD2 4.13Å; H452-W544 HydrophobicContact CB-CE3 3.31Å; H452-W544 HydrophobicContact CB-CZ3 3.77Å; A453-W544 HydrophobicContact CB-CB 4.05Å; A453-W544 HydrophobicContact CB-CD2 4.34Å; A453-W544 HydrophobicContact CB-CG 3.66Å; S456-W544 VanDerWaalsContact OG-CZ2 3.32Å; S456-W544 WeakPolarHBondContact OG-CZ2 3.19Å; M504-W544 HydrophobicContact CB-CZ2 4.48Å; M504-W544 HydrophobicContact CG-CH2 4.2Å; M504-W544 HydrophobicContact CG-CZ2 4.25Å; M504-W544 HydrophobicContact SD-CH2 4.18Å; M504-W544 HydrophobicContact SD-CZ2 3.89Å; Y540-W544 AromaticContact CD1-CD1 3.98Å; Y540-W544 AromaticContact CE1-CD1 3.64Å; Y540-W544 AromaticContact CE1-NE1 3.27Å; Y540-W544 VanDerWaalsContact CE1-NE1 3.27Å; Y540-W544 AromaticContact CE2-NE1 3.73Å; Y540-W544 AromaticContact CZ-CD1 3.85Å; Y540-W544 AromaticContact CZ-NE1 3.08Å; Y540-W544 PolarHBondContact O-N 3.33Å; Y540-W544 PolarHBondContact OH-NE1 2.78Å; R541-W544 PolarHBondContact O-N 2.96Å; R541-W544 VanDerWaalsContact O-N 3.13Å; W544-D546 VanDerWaalsContact C-N 3.34Å; W544-D546 PolarHBondContact O-N 2.7Å; W544-R547 PolarHBondContact O-N 2.86Å; W544-F548 HydrophobicContact CD2-CE2 4.23Å; W544-F548 AromaticContact CE3-CD2 3.6Å; W544-F548 HydrophobicContact CE3-CD2 3.6Å; W544-F548 AromaticContact CE3-CE2 3.08Å; W544-F548 HydrophobicContact CE3-CE2 3.08Å; W544-F548 HydrophobicContact CE3-CZ 4.03Å; W544-F548 HydrophobicContact CH2-CE2 4.39Å; W544-F548 HydrophobicContact CZ3-CD2 4.15Å; W544-F548 AromaticContact CZ3-CE2 3.19Å; W544-F548 HydrophobicContact CZ3-CE2 3.19Å; W544-F548 AromaticContact CZ3-CZ 3.7Å; W544-F548 HydrophobicContact CZ3-CZ 3.7Å; W544-F548 WeakPolarHBondContact O-CD2 3.44Å; W544-F548 PolarHBondContact O-N 3.19Å
545	T	97.7	Very high	96.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-59	-46.6	174.9	-62.8	0	0	0	0	111.3	M444 V446 D447 D448 G449 R541 I549 G550	M444-T545 HydrophobicContact CE-CG2 3.26Å; V446-T545 PolarHBondContact O-OG1 3.29Å; D447-T545 WeakPolarHBondContact CA-OG1 3.32Å; D448-T545 HydrophobicContact CB-CG2 3.9Å; D448-T545 PolarHBondContact N-OG1 3.14Å; D448-T545 VanDerWaalsContact N-OG1 3.17Å; G449-T545 PolarHBondContact N-OG1 3.39Å; R541-T545 PolarHBondContact O-N 2.65Å; R541-T545 PolarHBondContact O-OG1 2.91Å; T545-I549 PolarHBondContact O-N 2.94Å; T545-G550 PolarHBondContact O-N 2.73Å
546	D	97.9	Very high	96.4	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.071	C	C	.	.	I	π-helix	trans	-66.7	-41.2	-178.6	-66.9	-3.3	0	0	0	112.2	Y524 S542 A543 W544 S551 R725 T728 Y729	Y524-D546 WeakPolarHBondContact OH-CB 3.43Å; Y524-D546 PolarHBondContact OH-OD2 3.07Å; S542-D546 PolarHBondContact O-N 3.4Å; S542-D546 VanDerWaalsContact O-N 3.08Å; S542-D546 VanDerWaalsContact O-OD1 3.11Å; A543-D546 PolarHBondContact O-N 3.01Å; W544-D546 VanDerWaalsContact C-N 3.34Å; W544-D546 PolarHBondContact O-N 2.7Å; D546-S551 WeakPolarHBondContact O-CB 3.37Å; D546-S551 PolarHBondContact O-N 2.92Å; D546-S551 PolarHBondContact O-OG 3.05Å; D546-R725 VanDerWaalsContact CG-CZ 3.49Å; D546-R725 IonicContact OD1-CZ 3.64Å; D546-R725 IonicContact OD1-NE 3.19Å; D546-R725 IonicContact OD1-NH1 3.46Å; D546-R725 PolarHBondContact OD1-NH1 3.31Å; D546-R725 IonicContact OD1-NH2 3.6Å; D546-R725 PolarHBondContact OD1-NH2 2.78Å; D546-R725 IonicContact OD2-CZ 3.6Å; D546-R725 VanDerWaalsContact OD2-CZ 3.26Å; D546-R725 IonicContact OD2-NE 3.33Å; D546-R725 IonicContact OD2-NH1 3.05Å; D546-R725 IonicContact OD2-NH2 2.72Å; D546-R725 PolarHBondContact OD2-NH2 2.86Å; D546-T728 WeakPolarHBondContact OD2-CB 3.12Å; D546-T728 PolarHBondContact OD2-OG1 2.78Å; D546-Y729 HydrophobicContact CB-CD1 4.01Å; D546-Y729 HydrophobicContact CB-CE1 3.95Å; D546-Y729 WeakPolarHBondContact OD1-CE1 3.11Å
547	R	95	Very high	96.5	Very high	16 Å²	16	14.3 Å²	14.3	6%	0.06	7%	0.067	C	C	.	.	I	π-helix	trans	-61.8	-57.5	176.5	175	176.2	167.2	153.7	5.6	111	E351 M504 D508 A543 W544 S551 W732	E351-R547 IonicContact OE1-CZ 3.93Å; E351-R547 IonicContact OE1-NE 3.45Å; E351-R547 IonicContact OE1-NH2 3.69Å; E351-R547 PolarHBondContact OE1-NH2 3.3Å; E351-R547 WeakPolarHBondContact OE2-CG 3.33Å; E351-R547 IonicContact OE2-CZ 2.82Å; E351-R547 IonicContact OE2-NE 3.91Å; E351-R547 PolarHBondContact OE2-NE 2.97Å; E351-R547 IonicContact OE2-NH2 2.66Å; E351-R547 PolarHBondContact OE2-NH2 2.93Å; M504-R547 PolarHBondContact SD-NH1 3.42Å; D508-R547 IonicContact OD1-CZ 3.81Å; D508-R547 IonicContact OD1-NH1 2.76Å; D508-R547 IonicContact OD1-NH2 3.42Å; D508-R547 PolarHBondContact OD1-NH2 3.17Å; D508-R547 IonicContact OD2-CZ 3.49Å; D508-R547 IonicContact OD2-NH1 3.76Å; D508-R547 PolarHBondContact OD2-NH1 3.4Å; D508-R547 IonicContact OD2-NH2 3.78Å; D508-R547 PolarHBondContact OD2-NH2 3.46Å; A543-R547 WeakPolarHBondContact O-CB 3.46Å; A543-R547 PolarHBondContact O-N 3.14Å; W544-R547 PolarHBondContact O-N 2.86Å; R547-S551 PolarHBondContact O-OG 3.44Å; R547-W732 HydrophobicContact CB-CD2 3.96Å; R547-W732 HydrophobicContact CB-CE3 3.98Å; R547-W732 HydrophobicContact CB-CH2 3.93Å; R547-W732 HydrophobicContact CB-CZ2 3.89Å; R547-W732 HydrophobicContact CB-CZ3 3.97Å; R547-W732 HydrophobicContact CG-CD2 4.49Å; R547-W732 HydrophobicContact CG-CE3 4.03Å; R547-W732 HydrophobicContact CG-CH2 4.2Å; R547-W732 HydrophobicContact CG-CZ3 3.87Å
548	F	93.5	Very high	96.5	Very high	9 Å²	9	16.4 Å²	16.4	4%	0.039	8%	0.077	C	C	.	.	I	π-helix	trans	-81.7	-38.9	-166.9	-78.3	-82.1	0	0	0	113.7	M350 E351 W544	M350-F548 VanDerWaalsContact CB-O 3.26Å; M350-F548 WeakPolarHBondContact CB-O 3.26Å; E351-F548 HydrophobicContact CB-CD1 3.88Å; E351-F548 HydrophobicContact CB-CE1 4.15Å; E351-F548 HydrophobicContact CG-CD1 3.72Å; E351-F548 HydrophobicContact CG-CE1 3.48Å; E351-F548 VanDerWaalsContact CG-CE1 3.48Å; E351-F548 HydrophobicContact CG-CZ 4.37Å; E351-F548 PolarHBondContact N-O 3.41Å; E351-F548 WeakPolarHBondContact OE1-CE1 3.27Å; W544-F548 HydrophobicContact CD2-CE2 4.23Å; W544-F548 AromaticContact CE3-CD2 3.6Å; W544-F548 HydrophobicContact CE3-CD2 3.6Å; W544-F548 AromaticContact CE3-CE2 3.08Å; W544-F548 HydrophobicContact CE3-CE2 3.08Å; W544-F548 HydrophobicContact CE3-CZ 4.03Å; W544-F548 HydrophobicContact CH2-CE2 4.39Å; W544-F548 HydrophobicContact CZ3-CD2 4.15Å; W544-F548 AromaticContact CZ3-CE2 3.19Å; W544-F548 HydrophobicContact CZ3-CE2 3.19Å; W544-F548 AromaticContact CZ3-CZ 3.7Å; W544-F548 HydrophobicContact CZ3-CZ 3.7Å; W544-F548 WeakPolarHBondContact O-CD2 3.44Å; W544-F548 PolarHBondContact O-N 3.19Å
549	I	95.8	Very high	96.5	Very high	18 Å²	18	12 Å²	12	9%	0.092	6%	0.058	C	C	.	.	I	π-helix	trans	-119.3	-56.6	-169.3	-55.9	-55.4	0	0	0	111.4	S345 M350 M444 D448 T545 S551 G552 L553	S345-I549 WeakPolarHBondContact O-CD1 3.45Å; M350-I549 HydrophobicContact SD-CD1 3.79Å; M444-I549 HydrophobicContact CB-CG2 4.2Å; M444-I549 HydrophobicContact CE-CG2 4.47Å; D448-I549 HydrophobicContact CB-CB 4.13Å; D448-I549 HydrophobicContact CB-CG1 3.89Å; D448-I549 HydrophobicContact CB-CG2 4.34Å; T545-I549 PolarHBondContact O-N 2.94Å; I549-S551 PolarHBondContact O-N 2.63Å; I549-G552 PolarHBondContact O-N 3.08Å; I549-L553 WeakPolarHBondContact O-CB 3.24Å; I549-L553 PolarHBondContact O-N 3.43Å
550	G	97.2	Very high	96.4	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.046	C	C	.	.	I	π-helix	trans	-62.3	-46.1	-166.7	0	0	0	0	0	113.6	T545 I554	T545-G550 PolarHBondContact O-N 2.73Å; G550-I554 WeakPolarHBondContact O-CB 3.39Å; G550-I554 VanDerWaalsContact O-CG1 3.24Å; G550-I554 WeakPolarHBondContact O-CG1 3.34Å; G550-I554 PolarHBondContact O-N 3.41Å; G550-I554 VanDerWaalsContact O-N 3.08Å
551	S	96.9	Very high	96.2	Very high	13 Å²	13	10.2 Å²	10.2	9%	0.091	5%	0.05	C	C	.	.	H	α-helix	trans	-62.4	-44.8	179.9	58.4	0	0	0	0	112.8	D546 R547 I549 Q555	D546-S551 WeakPolarHBondContact O-CB 3.37Å; D546-S551 PolarHBondContact O-N 2.92Å; D546-S551 PolarHBondContact O-OG 3.05Å; R547-S551 PolarHBondContact O-OG 3.44Å; I549-S551 PolarHBondContact O-N 2.63Å; S551-Q555 WeakPolarHBondContact O-CB 3.32Å; S551-Q555 PolarHBondContact O-N 3.18Å
552	G	96.4	Very high	96	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.01	6%	0.057	C	C	.	.	H	α-helix	trans	-65.1	-51.5	177.5	0	0	0	0	0	112.6	S347 Q349 I549 I554 Q555 T556	S347-G552 PolarHBondContact OG-O 2.61Å; Q349-G552 WeakPolarHBondContact CB-O 3.42Å; Q349-G552 WeakPolarHBondContact O-CA 3.33Å; I549-G552 PolarHBondContact O-N 3.08Å; G552-I554 VanDerWaalsContact C-N 3.32Å; G552-I554 PolarHBondContact O-N 3.17Å; G552-Q555 WeakPolarHBondContact O-CA 3.46Å; G552-Q555 WeakPolarHBondContact O-CB 3.09Å; G552-Q555 PolarHBondContact O-N 2.89Å; G552-T556 PolarHBondContact O-N 2.77Å
553	L	97.9	Very high	95.5	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-56.5	-47.8	-179.4	176.7	62.8	0	0	0	111.3	L343 S347 G443 M444 I549 Q555 T556 L557	L343-L553 HydrophobicContact CB-CD1 4.35Å; S347-L553 VanDerWaalsContact OG-CA 3.25Å; S347-L553 WeakPolarHBondContact OG-CA 3.43Å; S347-L553 PolarHBondContact OG-N 2.96Å; S347-L553 VanDerWaalsContact OG-N 3.11Å; G443-L553 VanDerWaalsContact O-CD2 3.29Å; G443-L553 WeakPolarHBondContact O-CD2 3.42Å; M444-L553 HydrophobicContact CB-CD2 3.94Å; M444-L553 HydrophobicContact CG-CD2 4.14Å; M444-L553 HydrophobicContact SD-CD2 4.39Å; I549-L553 WeakPolarHBondContact O-CB 3.24Å; I549-L553 PolarHBondContact O-N 3.43Å; L553-Q555 VanDerWaalsContact C-N 3.25Å; L553-Q555 PolarHBondContact O-N 2.95Å; L553-T556 PolarHBondContact O-N 3.36Å; L553-L557 HydrophobicContact CD1-CD1 4.37Å; L553-L557 HydrophobicContact CD1-CG 4.21Å; L553-L557 HydrophobicContact CG-CD1 4.24Å; L553-L557 HydrophobicContact CG-CG 4.42Å; L553-L557 WeakPolarHBondContact O-CG 3.25Å; L553-L557 PolarHBondContact O-N 3.33Å
554	I	96.6	Very high	94.9	Very high	5 Å²	5	23.1 Å²	23.1	3%	0.026	11%	0.108	C	C	.	.	H	α-helix	trans	-60.2	-37.8	177.5	-70.1	-59.3	0	0	0	111.6	G550 G552 L557 Q558 M586 Y729	G550-I554 WeakPolarHBondContact O-CB 3.39Å; G550-I554 VanDerWaalsContact O-CG1 3.24Å; G550-I554 WeakPolarHBondContact O-CG1 3.34Å; G550-I554 PolarHBondContact O-N 3.41Å; G550-I554 VanDerWaalsContact O-N 3.08Å; G552-I554 VanDerWaalsContact C-N 3.32Å; G552-I554 PolarHBondContact O-N 3.17Å; I554-L557 PolarHBondContact O-N 3.41Å; I554-Q558 HydrophobicContact CG2-CG 4.26Å; I554-Q558 VanDerWaalsContact CG2-NE2 3.32Å; I554-Q558 WeakPolarHBondContact O-CB 3.18Å; I554-Q558 WeakPolarHBondContact O-CG 3.33Å; I554-Q558 PolarHBondContact O-N 3.08Å; I554-M586 HydrophobicContact CD1-CE 3.47Å; I554-M586 VanDerWaalsContact CD1-CE 3.47Å; I554-M586 HydrophobicContact CD1-SD 3.53Å; I554-M586 VanDerWaalsContact CD1-SD 3.53Å; I554-Y729 HydrophobicContact CB-CD2 4.3Å; I554-Y729 HydrophobicContact CD1-CE2 4.32Å; I554-Y729 HydrophobicContact CG1-CD2 3.62Å; I554-Y729 HydrophobicContact CG1-CE2 3.59Å; I554-Y729 HydrophobicContact CG1-CG 4.47Å; I554-Y729 HydrophobicContact CG2-CD2 4.48Å
555	Q	96	Very high	94.4	Very high	34 Å²	34	23.5 Å²	23.5	16%	0.159	11%	0.11	C	C	.	.	H	α-helix	trans	-66	-44.1	177.9	-162.8	177.9	80.2	0	0	111.7	Q349 S551 G552 L553 Q558 Y559 I733	Q349-Q555 HydrophobicContact CB-CB 4.18Å; Q349-Q555 HydrophobicContact CG-CB 4.24Å; Q349-Q555 HydrophobicContact CG-CG 4.35Å; S551-Q555 WeakPolarHBondContact O-CB 3.32Å; S551-Q555 PolarHBondContact O-N 3.18Å; G552-Q555 WeakPolarHBondContact O-CA 3.46Å; G552-Q555 WeakPolarHBondContact O-CB 3.09Å; G552-Q555 PolarHBondContact O-N 2.89Å; L553-Q555 VanDerWaalsContact C-N 3.25Å; L553-Q555 PolarHBondContact O-N 2.95Å; Q555-Q558 PolarHBondContact O-N 3.23Å; Q555-Y559 HydrophobicContact CG-CD2 4.18Å; Q555-Y559 HydrophobicContact CG-CE2 3.52Å; Q555-Y559 WeakPolarHBondContact O-CD2 3.5Å; Q555-Y559 PolarHBondContact O-N 3.37Å; Q555-I733 HydrophobicContact CB-CD1 4.42Å; Q555-I733 VanDerWaalsContact NE2-CG2 3.35Å
556	T	97.5	Very high	93.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.7	-46.9	173.3	-61.4	0	0	0	0	111.6	A322 L343 S347 D348 Q349 W430 G552 L553 Q558 Y559 H560	A322-T556 HydrophobicContact CB-CG2 4.45Å; L343-T556 HydrophobicContact CD1-CG2 4.15Å; S347-T556 WeakPolarHBondContact CB-OG1 3.35Å; S347-T556 PolarHBondContact OG-OG1 2.96Å; D348-T556 VanDerWaalsContact OD1-CG2 3.27Å; D348-T556 WeakPolarHBondContact OD1-CG2 2.96Å; D348-T556 PolarHBondContact OD1-OG1 2.98Å; Q349-T556 WeakPolarHBondContact CG-OG1 3.19Å; W430-T556 HydrophobicContact CH2-CG2 4.49Å; W430-T556 HydrophobicContact CZ2-CG2 3.78Å; G552-T556 PolarHBondContact O-N 2.77Å; L553-T556 PolarHBondContact O-N 3.36Å; T556-Q558 VanDerWaalsContact C-N 3.32Å; T556-Q558 PolarHBondContact O-N 3.11Å; T556-Y559 PolarHBondContact O-N 3.32Å; T556-H560 PolarHBondContact O-N 2.99Å
557	L	96.6	Very high	91.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.9	-38.1	177.4	-65.3	-175.4	0	0	0	112.4	L440 L553 I554 S561 T584 M586 Y682	L440-L557 HydrophobicContact CD2-CD2 3.16Å; L553-L557 HydrophobicContact CD1-CD1 4.37Å; L553-L557 HydrophobicContact CD1-CG 4.21Å; L553-L557 HydrophobicContact CG-CD1 4.24Å; L553-L557 HydrophobicContact CG-CG 4.42Å; L553-L557 WeakPolarHBondContact O-CG 3.25Å; L553-L557 PolarHBondContact O-N 3.33Å; I554-L557 PolarHBondContact O-N 3.41Å; L557-S561 VanDerWaalsContact O-CB 3.26Å; L557-S561 WeakPolarHBondContact O-CB 3.11Å; L557-S561 PolarHBondContact O-N 3.47Å; L557-S561 PolarHBondContact O-OG 2.81Å; L557-T584 HydrophobicContact CB-CG2 4.44Å; L557-T584 HydrophobicContact CD2-CG2 3.81Å; L557-M586 HydrophobicContact CD1-CB 4.04Å; L557-M586 HydrophobicContact CD1-CG 3.74Å; L557-M586 HydrophobicContact CD1-SD 3.98Å; L557-Y682 HydrophobicContact CB-CD1 4.41Å; L557-Y682 HydrophobicContact CB-CE1 4.17Å
558	Q	94.6	Very high	89.8	Confident	45 Å²	45	39 Å²	39	21%	0.21	19%	0.186	C	C	.	.	H	α-helix	trans	-65.1	-41.6	173.9	-76.6	172.6	2.3	0	0	111.6	I554 Q555 T556 N562 Y682	I554-Q558 HydrophobicContact CG2-CG 4.26Å; I554-Q558 VanDerWaalsContact CG2-NE2 3.32Å; I554-Q558 WeakPolarHBondContact O-CB 3.18Å; I554-Q558 WeakPolarHBondContact O-CG 3.33Å; I554-Q558 PolarHBondContact O-N 3.08Å; Q555-Q558 PolarHBondContact O-N 3.23Å; T556-Q558 VanDerWaalsContact C-N 3.32Å; T556-Q558 PolarHBondContact O-N 3.11Å; Q558-N562 VanDerWaalsContact O-CB 3.26Å; Q558-N562 WeakPolarHBondContact O-CB 3.37Å; Q558-N562 PolarHBondContact O-N 2.76Å; Q558-N562 VanDerWaalsContact O-N 3.1Å; Q558-Y682 HydrophobicContact CG-CE1 4.37Å
559	Y	94.7	Very high	87.6	Confident	20 Å²	20	44.8 Å²	44.8	8%	0.078	21%	0.21	C	C	.	.	H	α-helix	trans	-62.1	-47.7	175.9	-71.3	-48.2	0	0	0	112.1	Q349 W430 T431 Q555 T556 N562 F565	Q349-Y559 HydrophobicContact CG-CD2 4.37Å; Q349-Y559 HydrophobicContact CG-CE2 4.06Å; W430-Y559 HydrophobicContact CB-CD1 3.94Å; W430-Y559 HydrophobicContact CB-CD2 3.64Å; W430-Y559 HydrophobicContact CB-CE2 4.24Å; W430-Y559 HydrophobicContact CB-CG 3.49Å; W430-Y559 VanDerWaalsContact CB-CG 3.49Å; W430-Y559 AromaticContact CD1-CD2 3.63Å; W430-Y559 HydrophobicContact CD2-CD2 4.32Å; W430-Y559 HydrophobicContact CD2-CG 4.31Å; W430-Y559 AromaticContact CG-CD2 3.58Å; W430-Y559 HydrophobicContact CG-CD2 3.58Å; W430-Y559 HydrophobicContact CG-CE2 4.41Å; W430-Y559 AromaticContact CG-CG 3.75Å; W430-Y559 HydrophobicContact CG-CG 3.75Å; T431-Y559 HydrophobicContact CG2-CD1 4.08Å; T431-Y559 HydrophobicContact CG2-CE1 3.52Å; Q555-Y559 HydrophobicContact CG-CD2 4.18Å; Q555-Y559 HydrophobicContact CG-CE2 3.52Å; Q555-Y559 WeakPolarHBondContact O-CD2 3.5Å; Q555-Y559 PolarHBondContact O-N 3.37Å; T556-Y559 PolarHBondContact O-N 3.32Å; Y559-N562 PolarHBondContact O-N 2.97Å; Y559-F565 AromaticContact CD1-CD2 3.81Å; Y559-F565 HydrophobicContact CD1-CD2 3.81Å; Y559-F565 AromaticContact CD1-CE2 3.51Å; Y559-F565 HydrophobicContact CD1-CE2 3.51Å; Y559-F565 HydrophobicContact CD1-CZ 4.17Å; Y559-F565 HydrophobicContact CE1-CE2 4.04Å; Y559-F565 HydrophobicContact CE1-CZ 4.28Å
560	H	94.6	Very high	85	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.8	-40	-178.2	-174.1	-104.5	0	0	0	112.6	W430 Y435 I438 L440 T556 N582 T584	W430-H560 HydrophobicContact CH2-CB 4.23Å; W430-H560 HydrophobicContact CZ3-CB 3.93Å; W430-H560 AromaticContact CZ3-CD2 3.97Å; Y435-H560 AromaticContact CE2-CD2 3.95Å; I438-H560 PolarHBondContact O-CE1 3.5Å; I438-H560 PolarHBondContact O-NE2 2.67Å; L440-H560 VanDerWaalsContact CB-CE1 3.43Å; L440-H560 WeakPolarHBondContact CB-CE1 3.22Å; T556-H560 PolarHBondContact O-N 2.99Å; H560-N582 WeakPolarHBondContact O-CB 3.4Å; H560-N582 PolarHBondContact O-ND2 2.85Å; H560-T584 PolarHBondContact ND1-OG1 2.87Å
561	S	93.1	Very high	82.5	Confident	13 Å²	13	59 Å²	59	9%	0.091	28%	0.277	C	S	.	.	H	α-helix	trans	-81.5	-12.5	-179.7	60.6	0	0	0	0	114.4	L557 P563 Y682	L557-S561 VanDerWaalsContact O-CB 3.26Å; L557-S561 WeakPolarHBondContact O-CB 3.11Å; L557-S561 PolarHBondContact O-N 3.47Å; L557-S561 PolarHBondContact O-OG 2.81Å; S561-P563 VanDerWaalsContact O-CD 3.23Å; S561-P563 WeakPolarHBondContact O-CD 3.39Å; S561-Y682 WeakPolarHBondContact CB-O 3.16Å; S561-Y682 WeakPolarHBondContact OG-CD1 3.42Å
562	N	91.5	Very high	79.8	Confident	33 Å²	33	68 Å²	68	18%	0.176	32%	0.317	C	S	.	.			trans	-78.6	116.4	-176.6	-155.8	-32.3	0	0	0	112.9	Q558 Y559 R564 F565 A566 I684	Q558-N562 VanDerWaalsContact O-CB 3.26Å; Q558-N562 WeakPolarHBondContact O-CB 3.37Å; Q558-N562 PolarHBondContact O-N 2.76Å; Q558-N562 VanDerWaalsContact O-N 3.1Å; Y559-N562 PolarHBondContact O-N 2.97Å; N562-R564 PolarHBondContact O-N 2.96Å; N562-R564 VanDerWaalsContact O-N 3.1Å; N562-R564 WeakPolarHBondContact OD1-CB 3.25Å; N562-R564 PolarHBondContact OD1-N 3.03Å; N562-F565 HydrophobicContact CB-CD2 3.43Å; N562-F565 VanDerWaalsContact CB-CD2 3.43Å; N562-F565 HydrophobicContact CB-CE2 3.82Å; N562-F565 HydrophobicContact CB-CG 4.26Å; N562-F565 WeakPolarHBondContact ND2-CE2 3.5Å; N562-F565 PolarHBondContact O-N 3.45Å; N562-F565 VanDerWaalsContact O-N 3.11Å; N562-A566 PolarHBondContact O-N 3.33Å; N562-I684 HydrophobicContact CB-CD1 3.33Å; N562-I684 WeakPolarHBondContact ND2-CD1 3.5Å
563	P	86	Confident	77.2	Confident	68 Å²	68	70.9 Å²	70.9	44%	0.442	34%	0.337	S	S	.	.	H	α-helix	trans	-61.9	-23	173.3	-21.3	34.9	0	0	0	113.2	S561 F565 A566	S561-P563 VanDerWaalsContact O-CD 3.23Å; S561-P563 WeakPolarHBondContact O-CD 3.39Å; P563-F565 VanDerWaalsContact C-N 3.27Å; P563-F565 PolarHBondContact O-N 3.36Å; P563-A566 PolarHBondContact O-N 3.41Å
564	R	87.2	Confident	74.5	Confident	189 Å²	189	79.4 Å²	79.4	71%	0.713	38%	0.382	S	S	*	.	H	α-helix	trans	-59.7	-37.1	176	-174.7	-176.7	177.5	-178	0	112.2	N562	N562-R564 PolarHBondContact O-N 2.96Å; N562-R564 VanDerWaalsContact O-N 3.1Å; N562-R564 WeakPolarHBondContact OD1-CB 3.25Å; N562-R564 PolarHBondContact OD1-N 3.03Å
565	F	86.5	Confident	71.8	Confident	30 Å²	30	82.9 Å²	82.9	13%	0.132	40%	0.404	C	S	.	.	H	α-helix	trans	-89	-25.4	-176.4	-57.6	-47.4	0	0	0	112.4	T431 G433 Y559 N562 P563 K567	T431-F565 HydrophobicContact CG2-CD1 4.38Å; T431-F565 HydrophobicContact CG2-CE1 3.93Å; T431-F565 HydrophobicContact CG2-CZ 4.14Å; T431-F565 WeakPolarHBondContact O-CD1 3.49Å; G433-F565 WeakPolarHBondContact CA-O 3.47Å; G433-F565 PolarHBondContact N-O 3.02Å; Y559-F565 AromaticContact CD1-CD2 3.81Å; Y559-F565 HydrophobicContact CD1-CD2 3.81Å; Y559-F565 AromaticContact CD1-CE2 3.51Å; Y559-F565 HydrophobicContact CD1-CE2 3.51Å; Y559-F565 HydrophobicContact CD1-CZ 4.17Å; Y559-F565 HydrophobicContact CE1-CE2 4.04Å; Y559-F565 HydrophobicContact CE1-CZ 4.28Å; N562-F565 HydrophobicContact CB-CD2 3.43Å; N562-F565 VanDerWaalsContact CB-CD2 3.43Å; N562-F565 HydrophobicContact CB-CE2 3.82Å; N562-F565 HydrophobicContact CB-CG 4.26Å; N562-F565 WeakPolarHBondContact ND2-CE2 3.5Å; N562-F565 PolarHBondContact O-N 3.45Å; N562-F565 VanDerWaalsContact O-N 3.11Å; P563-F565 VanDerWaalsContact C-N 3.27Å; P563-F565 PolarHBondContact O-N 3.36Å; F565-K567 VanDerWaalsContact C-N 3.28Å; F565-K567 PolarHBondContact O-N 3.41Å
566	A	77.8	Confident	68.9	Low	38 Å²	38	89 Å²	89	31%	0.314	44%	0.438	S	S	.	.	H	α-helix	trans	-67.6	-23.6	176.1	0	0	0	0	0	114.1	N562 P563 K568	N562-A566 PolarHBondContact O-N 3.33Å; P563-A566 PolarHBondContact O-N 3.41Å; A566-K568 PolarHBondContact O-N 2.94Å
567	K	62.8	Low	65.9	Low	169 Å²	169	97 Å²	97	74%	0.735	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	4.6	-167.2	-80	-175	176.2	-179.1	0	117	F565	F565-K567 VanDerWaalsContact C-N 3.28Å; F565-K567 PolarHBondContact O-N 3.41Å
568	K	52.7	Low	63.3	Low	135 Å²	135	106.6 Å²	106.6	59%	0.587	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-5.7	-172.5	-84.2	-176	173.3	-179.2	0	116.3	A566	A566-K568 PolarHBondContact O-N 2.94Å
569	K	48.1	Very low	61	Low	129 Å²	129	109.8 Å²	109.8	56%	0.561	53%	0.531	S	S	*	.			trans	-108.3	102.6	173.3	-143.1	171.5	-178.6	-179.7	0	110.2	L571	K569-L571 HydrophobicContact CD-CD1 3.76Å; K569-L571 HydrophobicContact CG-CD1 4.14Å; K569-L571 PolarHBondContact O-N 3.18Å
570	K	40.3	Very low	58.8	Low	205 Å²	205	114.1 Å²	114.1	89%	0.891	56%	0.561	S	S	*	*			trans	-63.4	85.9	151.2	-89.9	-175.3	175.3	-179.7	0	105.8	Q572	K570-Q572 PolarHBondContact O-N 3.35Å
571	L	45.3	Very low	57.1	Low	113 Å²	113	121.1 Å²	121.1	59%	0.592	60%	0.597	S	S	*	*			trans	-62.9	124	164.5	-137.6	87.1	0	0	0	105.5	K569 S573	K569-L571 HydrophobicContact CD-CD1 3.76Å; K569-L571 HydrophobicContact CG-CD1 4.14Å; K569-L571 PolarHBondContact O-N 3.18Å; L571-S573 PolarHBondContact O-N 3.24Å
572	Q	39.4	Very low	56.2	Low	202 Å²	202	121.1 Å²	121.1	94%	0.944	60%	0.596	S	S	*	*			trans	-69.4	52.2	171.4	-70.1	174.3	-21.8	0	0	110.4	K570	K570-Q572 PolarHBondContact O-N 3.35Å
573	S	41.9	Very low	56.1	Low	60 Å²	60	121.6 Å²	121.6	42%	0.42	60%	0.597	S	S	.	*			trans	-95.3	118.7	166.5	-176	0	0	0	0	106.6	L571 T575	L571-S573 PolarHBondContact O-N 3.24Å; S573-T575 PolarHBondContact O-N 2.76Å; S573-T575 PolarHBondContact OG-OG1 3.19Å
574	N	41.3	Very low	56.5	Low	179 Å²	179	118.3 Å²	118.3	96%	0.957	58%	0.576	S	S	*	*	S	Bend	trans	-65	24.1	173.3	-98.9	-6.1	0	0	0	113.5
575	T	40.6	Very low	56.9	Low	79 Å²	79	109.3 Å²	109.3	49%	0.485	54%	0.542	S	S	.	.	S	Bend	trans	-116.6	118.1	174.4	55.7	0	0	0	0	108.6	S573 Q577	S573-T575 PolarHBondContact O-N 2.76Å; S573-T575 PolarHBondContact OG-OG1 3.19Å; T575-Q577 PolarHBondContact O-N 2.94Å
576	N	35.1	Very low	57.4	Low	162 Å²	162	108 Å²	108	87%	0.866	54%	0.536	S	S	*	.			trans	-66.4	28.1	173.8	-80.4	-24.4	0	0	0	113.3	Y578	N576-Y578 PolarHBondContact O-N 3.09Å; N576-Y578 VanDerWaalsContact O-N 3.12Å
577	Q	34.3	Very low	58.4	Low	167 Å²	167	106.4 Å²	106.4	78%	0.78	52%	0.522	S	S	*	.			trans	-78.7	96.2	171.8	-102.9	176.1	-33.6	0	0	108.4	T575 L579	T575-Q577 PolarHBondContact O-N 2.94Å; Q577-L579 PolarHBondContact O-N 3.34Å
578	Y	41.3	Very low	60	Low	203 Å²	203	98.4 Å²	98.4	80%	0.796	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-51.4	123.5	160.7	-65.1	-84.2	0	0	0	107.8	N576	N576-Y578 PolarHBondContact O-N 3.09Å; N576-Y578 VanDerWaalsContact O-N 3.12Å
579	L	46.3	Very low	62.2	Low	111 Å²	111	92 Å²	92	58%	0.581	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-51.3	130.9	170.6	-94.1	95.7	0	0	0	108.2	H437 Q577 I581	H437-L579 HydrophobicContact CB-CD2 3.44Å; H437-L579 VanDerWaalsContact CB-CD2 3.44Å; Q577-L579 PolarHBondContact O-N 3.34Å; L579-I581 PolarHBondContact O-N 3.07Å
580	P	49.1	Very low	64.4	Low	112 Å²	112	86.1 Å²	86.1	73%	0.727	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-54.9	140.1	175.3	20.7	-29.6	0	0	0	109.6	N582	P580-N582 PolarHBondContact O-N 3.42Å
581	I	59.4	Low	66.9	Low	147 Å²	147	76.6 Å²	76.6	75%	0.754	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-50.7	128	176.9	-63.3	165.3	0	0	0	108	L579 H583	L579-I581 PolarHBondContact O-N 3.07Å; I581-H583 PolarHBondContact O-N 3.07Å
582	N	72.7	Confident	69	Low	13 Å²	13	75.7 Å²	75.7	7%	0.07	39%	0.385	C	S	.	.			trans	-53.4	112.2	177.4	-65	-25.7	0	0	0	110.1	Y435 H437 H560 P580 T584	Y435-N582 VanDerWaalsContact CE2-ND2 3.27Å; Y435-N582 WeakPolarHBondContact CE2-ND2 3.46Å; Y435-N582 PolarHBondContact OH-ND2 3.12Å; H437-N582 WeakPolarHBondContact CA-OD1 3.33Å; H437-N582 VanDerWaalsContact CB-OD1 3.32Å; H437-N582 WeakPolarHBondContact CB-OD1 3.27Å; H437-N582 PolarHBondContact ND1-ND2 3.31Å; H437-N582 PolarHBondContact ND1-OD1 2.96Å; H560-N582 WeakPolarHBondContact O-CB 3.4Å; H560-N582 PolarHBondContact O-ND2 2.85Å; P580-N582 PolarHBondContact O-N 3.42Å; N582-T584 PolarHBondContact O-N 2.97Å; N582-T584 PolarHBondContact O-OG1 3.43Å
583	H	89.8	Confident	71.5	Confident	42 Å²	42	66.1 Å²	66.1	19%	0.194	34%	0.341	C	S	.	.			trans	-72.5	102.1	176.6	-175.6	62.5	0	0	0	108.9	P439 L440 I581 Q585 S667 T681	P439-H583 WeakPolarHBondContact CA-O 3.42Å; P439-H583 HydrophobicContact CB-CB 4.4Å; L440-H583 PolarHBondContact N-O 3.49Å; I581-H583 PolarHBondContact O-N 3.07Å; H583-Q585 PolarHBondContact NE2-NE2 2.86Å; H583-Q585 PolarHBondContact NE2-OE1 3.43Å; H583-S667 PolarHBondContact CD2-O 3.34Å; H583-S667 VanDerWaalsContact CD2-O 3.28Å; H583-T681 PolarHBondContact CE1-OG1 2.86Å; H583-T681 PolarHBondContact ND1-OG1 3.48Å; H583-T681 VanDerWaalsContact ND1-OG1 3.13Å
584	T	94.9	Very high	73.6	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129.7	178.5	-49.1	0	0	0	0	108.4	L440 L557 H560 N582 T681 Y682	L440-T584 HydrophobicContact CD2-CG2 4.11Å; L440-T584 CarbonylContact O-C 3.48Å; L440-T584 WeakPolarHBondContact O-CA 3.32Å; L557-T584 HydrophobicContact CB-CG2 4.44Å; L557-T584 HydrophobicContact CD2-CG2 3.81Å; H560-T584 PolarHBondContact ND1-OG1 2.87Å; N582-T584 PolarHBondContact O-N 2.97Å; N582-T584 PolarHBondContact O-OG1 3.43Å; T584-T681 CarbonylContact O-C 3.4Å; T584-T681 WeakPolarHBondContact O-CA 3.01Å; T584-T681 VanDerWaalsContact O-CG2 3.26Å; T584-T681 WeakPolarHBondContact O-CG2 3.35Å; T584-Y682 HydrophobicContact CG2-CD1 4.35Å; T584-Y682 PolarHBondContact O-N 3.03Å
585	Q	95.6	Very high	75.8	Confident	0 Å²	0	64 Å²	64	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	146.5	173.3	-83.2	174.2	-36.1	0	0	109.1	L440 I441 G442 H583 W679	L440-Q585 PolarHBondContact O-N 3.19Å; I441-Q585 CarbonylContact C-O 3.4Å; I441-Q585 WeakPolarHBondContact CA-O 3.29Å; I441-Q585 HydrophobicContact CG1-CB 4.05Å; G442-Q585 PolarHBondContact N-O 2.9Å; H583-Q585 PolarHBondContact NE2-NE2 2.86Å; H583-Q585 PolarHBondContact NE2-OE1 3.43Å; Q585-W679 HydrophobicContact CB-CD2 4.48Å; Q585-W679 HydrophobicContact CB-CZ2 4.19Å; Q585-W679 HydrophobicContact CG-CD2 4.48Å; Q585-W679 HydrophobicContact CG-CG 4.27Å; Q585-W679 PolarHBondContact NE2-O 3.35Å
586	M	97.2	Very high	78	Confident	2 Å²	2	60.8 Å²	60.8	1%	0.01	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	139.3	179.3	-173	-175.6	161.9	0	0	110.7	G442 I554 L557 I588 W679 Y682 Y689 L690	G442-M586 CarbonylContact O-C 3.53Å; G442-M586 WeakPolarHBondContact O-CA 3.41Å; I554-M586 HydrophobicContact CD1-CE 3.47Å; I554-M586 VanDerWaalsContact CD1-CE 3.47Å; I554-M586 HydrophobicContact CD1-SD 3.53Å; I554-M586 VanDerWaalsContact CD1-SD 3.53Å; L557-M586 HydrophobicContact CD1-CB 4.04Å; L557-M586 HydrophobicContact CD1-CG 3.74Å; L557-M586 HydrophobicContact CD1-SD 3.98Å; M586-I588 HydrophobicContact CE-CD1 3.49Å; M586-I588 VanDerWaalsContact CE-CD1 3.49Å; M586-I588 HydrophobicContact CE-CG1 4.01Å; M586-W679 WeakPolarHBondContact O-CZ2 3.42Å; M586-W679 PolarHBondContact O-NE1 3.06Å; M586-Y682 HydrophobicContact CB-CD2 3.73Å; M586-Y682 HydrophobicContact CB-CG 4.3Å; M586-Y682 HydrophobicContact CG-CD2 4.4Å; M586-Y682 HydrophobicContact SD-CD2 3.83Å; M586-Y682 HydrophobicContact SD-CE2 3.66Å; M586-Y689 CarbonylContact O-C 3.52Å; M586-Y689 VanDerWaalsContact O-CA 3.25Å; M586-Y689 WeakPolarHBondContact O-CA 3.32Å; M586-L690 PolarHBondContact O-N 2.83Å
587	Y	97.8	Very high	80.3	Confident	5 Å²	5	56.3 Å²	56.3	2%	0.02	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	157.7	165.9	73.3	-90.3	0	0	0	112.3	I441 G442 G443 M444 F589 W679 L690 L692	I441-Y587 HydrophobicContact CG2-CD1 3.77Å; I441-Y587 HydrophobicContact CG2-CE1 3.98Å; G442-Y587 PolarHBondContact O-N 2.92Å; G443-Y587 WeakPolarHBondContact CA-O 3.41Å; M444-Y587 PolarHBondContact N-O 3.32Å; Y587-F589 HydrophobicContact CD2-CB 4.17Å; Y587-F589 HydrophobicContact CE2-CB 3.94Å; Y587-W679 AromaticContact CD1-CH2 3.97Å; Y587-W679 HydrophobicContact CD1-CH2 3.97Å; Y587-W679 HydrophobicContact CD1-CZ2 4.18Å; Y587-W679 HydrophobicContact CG-CH2 4.32Å; Y587-W679 HydrophobicContact CG-CZ2 4.39Å; Y587-L690 CarbonylContact C-O 3.53Å; Y587-L690 WeakPolarHBondContact CA-O 3.36Å; Y587-L690 WeakPolarHBondContact CB-O 3.5Å; Y587-L692 HydrophobicContact CD2-CD1 3.66Å; Y587-L692 HydrophobicContact CE2-CD1 4.39Å; Y587-L692 HydrophobicContact CG-CD1 3.95Å
588	I	97.8	Very high	82.6	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	123.2	163.5	-59	-64.4	0	0	0	107.8	M444 V446 M586 G590 Y689 L690 W691 L692 Y724	M444-I588 HydrophobicContact CG-CD1 3.3Å; M444-I588 HydrophobicContact SD-CD1 3.8Å; V446-I588 HydrophobicContact CG2-CG2 3.94Å; M586-I588 HydrophobicContact CE-CD1 3.49Å; M586-I588 VanDerWaalsContact CE-CD1 3.49Å; M586-I588 HydrophobicContact CE-CG1 4.01Å; I588-G590 PolarHBondContact O-N 2.92Å; I588-Y689 HydrophobicContact CB-CD2 4.02Å; I588-Y689 HydrophobicContact CB-CE2 4.16Å; I588-Y689 HydrophobicContact CG1-CD2 3.51Å; I588-Y689 HydrophobicContact CG1-CE2 3.78Å; I588-Y689 HydrophobicContact CG1-CG 4.23Å; I588-L690 PolarHBondContact N-O 3.39Å; I588-W691 HydrophobicContact CB-CE3 3.87Å; I588-W691 HydrophobicContact CB-CZ3 4.14Å; I588-W691 HydrophobicContact CG2-CE3 3.72Å; I588-W691 HydrophobicContact CG2-CZ3 3.45Å; I588-W691 VanDerWaalsContact CG2-CZ3 3.45Å; I588-L692 PolarHBondContact O-N 2.94Å; I588-Y724 HydrophobicContact CD1-CD1 3.4Å; I588-Y724 VanDerWaalsContact CD1-CD1 3.4Å; I588-Y724 HydrophobicContact CD1-CE1 3.44Å; I588-Y724 VanDerWaalsContact CD1-CE1 3.44Å; I588-Y724 HydrophobicContact CD1-CG 4Å; I588-Y724 HydrophobicContact CG1-CD1 3.76Å; I588-Y724 HydrophobicContact CG1-CD2 4.03Å; I588-Y724 HydrophobicContact CG1-CE1 3.9Å; I588-Y724 HydrophobicContact CG1-CE2 4.18Å; I588-Y724 HydrophobicContact CG1-CG 3.82Å; I588-Y724 HydrophobicContact CG2-CE1 4.23Å; I588-Y724 HydrophobicContact CG2-CE2 4.11Å
589	F	97.4	Very high	84.6	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	106.1	177.4	-168.5	-92.8	0	0	0	110	M444 V445 V446 Y587 Y591 I604 E609 Y612 M652 M656 L692	M444-F589 PolarHBondContact O-N 2.91Å; V445-F589 HydrophobicContact CG1-CB 4.03Å; V445-F589 HydrophobicContact CG1-CD1 4.03Å; V445-F589 HydrophobicContact CG1-CG 4.42Å; V446-F589 PolarHBondContact N-O 2.8Å; Y587-F589 HydrophobicContact CD2-CB 4.17Å; Y587-F589 HydrophobicContact CE2-CB 3.94Å; F589-Y591 WeakPolarHBondContact CE1-O 3.48Å; F589-Y591 HydrophobicContact CZ-CD1 4.09Å; F589-Y591 HydrophobicContact CZ-CG 4.41Å; F589-I604 HydrophobicContact CD1-CG2 3.92Å; F589-I604 HydrophobicContact CE1-CG2 4.38Å; F589-E609 HydrophobicContact CB-CB 4.42Å; F589-E609 HydrophobicContact CD1-CB 3.79Å; F589-E609 HydrophobicContact CD2-CB 4.07Å; F589-E609 HydrophobicContact CE1-CB 3.96Å; F589-E609 HydrophobicContact CE2-CB 4.24Å; F589-E609 HydrophobicContact CG-CB 3.84Å; F589-E609 HydrophobicContact CZ-CB 4.18Å; F589-Y612 HydrophobicContact CE1-CD2 4.27Å; F589-Y612 HydrophobicContact CE1-CE2 4.28Å; F589-Y612 HydrophobicContact CE2-CD2 4.35Å; F589-Y612 AromaticContact CZ-CD2 3.53Å; F589-Y612 HydrophobicContact CZ-CD2 3.53Å; F589-Y612 AromaticContact CZ-CE2 3.82Å; F589-Y612 HydrophobicContact CZ-CE2 3.82Å; F589-Y612 HydrophobicContact CZ-CG 4.12Å; F589-M652 HydrophobicContact CE2-CE 4.07Å; F589-M652 HydrophobicContact CE2-CG 4.46Å; F589-M656 HydrophobicContact CD2-CE 3.62Å; F589-M656 HydrophobicContact CE2-CE 3.62Å; F589-L692 HydrophobicContact CD2-CB 4.02Å; F589-L692 HydrophobicContact CD2-CD1 4.09Å
590	G	94.6	Very high	86.2	Confident	6 Å²	6	38.5 Å²	38.5	6%	0.062	20%	0.2	C	C	.	.			trans	-105.6	3.7	-176.9	0	0	0	0	0	113.8	I588 I604 L692 N693	I588-G590 PolarHBondContact O-N 2.92Å; G590-I604 WeakPolarHBondContact O-CD1 3.45Å; G590-L692 CarbonylContact C-O 3.59Å; G590-L692 WeakPolarHBondContact CA-O 3.44Å; G590-L692 PolarHBondContact N-O 2.86Å; G590-N693 PolarHBondContact O-OD1 3.33Å
591	Y	93.9	Very high	87.9	Confident	6 Å²	6	33.3 Å²	33.3	2%	0.024	17%	0.167	C	C	.	.			trans	-89.4	143.3	-175	-176.8	-102	0	0	0	112	F589 Y612 L648 D649 M652 L692 L694	F589-Y591 WeakPolarHBondContact CE1-O 3.48Å; F589-Y591 HydrophobicContact CZ-CD1 4.09Å; F589-Y591 HydrophobicContact CZ-CG 4.41Å; Y591-Y612 AromaticContact CD1-CE1 3.87Å; Y591-Y612 HydrophobicContact CD1-CE1 3.87Å; Y591-Y612 HydrophobicContact CD1-CE2 4.17Å; Y591-Y612 AromaticContact CD1-CZ 3.65Å; Y591-Y612 HydrophobicContact CE1-CD1 4.47Å; Y591-Y612 AromaticContact CE1-CE1 3.5Å; Y591-Y612 HydrophobicContact CE1-CE1 3.5Å; Y591-Y612 VanDerWaalsContact CE1-CE1 3.5Å; Y591-Y612 HydrophobicContact CE1-CE2 4.44Å; Y591-Y612 AromaticContact CE1-CZ 3.49Å; Y591-Y612 VanDerWaalsContact CE1-CZ 3.49Å; Y591-Y612 VanDerWaalsContact CE1-OH 3.29Å; Y591-Y612 WeakPolarHBondContact CE1-OH 3.38Å; Y591-L648 VanDerWaalsContact OH-C 3.28Å; Y591-L648 WeakPolarHBondContact OH-CB 3.26Å; Y591-D649 WeakPolarHBondContact CE1-OD1 3.26Å; Y591-D649 VanDerWaalsContact CZ-OD1 3.25Å; Y591-D649 WeakPolarHBondContact OH-CA 3.15Å; Y591-D649 PolarHBondContact OH-N 2.86Å; Y591-D649 VanDerWaalsContact OH-N 3.12Å; Y591-D649 PolarHBondContact OH-OD1 2.63Å; Y591-M652 HydrophobicContact CD1-CB 4.06Å; Y591-M652 HydrophobicContact CD1-CG 3.59Å; Y591-M652 HydrophobicContact CD2-CG 4.3Å; Y591-M652 HydrophobicContact CD2-SD 4.46Å; Y591-M652 HydrophobicContact CE1-CB 3.88Å; Y591-M652 HydrophobicContact CE1-CG 3.96Å; Y591-M652 HydrophobicContact CE2-CB 4.44Å; Y591-M652 HydrophobicContact CG-CB 4.41Å; Y591-M652 HydrophobicContact CG-CG 3.76Å; Y591-M652 HydrophobicContact CG-SD 4.18Å; Y591-L692 PolarHBondContact N-O 3.45Å; Y591-L692 VanDerWaalsContact N-O 3.08Å; Y591-L694 HydrophobicContact CD2-CB 3.84Å; Y591-L694 VanDerWaalsContact CD2-O 3.29Å; Y591-L694 WeakPolarHBondContact CD2-O 3.35Å; Y591-L694 HydrophobicContact CE2-CB 3.88Å; Y591-L694 WeakPolarHBondContact CE2-O 3.42Å
592	K	89.6	Confident	89.4	Confident	93 Å²	93	26.3 Å²	26.3	40%	0.404	13%	0.131	S	C	.	.			trans	-141.6	149.3	168.8	56.1	167.2	-175.3	171.8	0	109.7	S599 I604	K592-S599 PolarHBondContact NZ-OG 2.89Å; K592-I604 HydrophobicContact CB-CG1 4.11Å; K592-I604 HydrophobicContact CG-CG1 4.5Å
593	S	89.9	Confident	90.2	Very high	1 Å²	1	26 Å²	26	1%	0.007	13%	0.13	C	C	.	.			trans	-67.3	137.6	171.3	-173.6	0	0	0	0	109.8	N595 D596 D649	S593-N595 PolarHBondContact O-N 3.19Å; S593-N595 PolarHBondContact OG-N 3.04Å; S593-D596 PolarHBondContact O-N 3.03Å; S593-D649 WeakPolarHBondContact CA-OD1 3.42Å; S593-D649 VanDerWaalsContact CB-OD1 3.26Å; S593-D649 WeakPolarHBondContact CB-OD1 3.39Å; S593-D649 PolarHBondContact OG-OD1 3.01Å; S593-D649 PolarHBondContact OG-OD2 3.47Å
594	I	86.7	Confident	90.4	Very high	132 Å²	132	24.7 Å²	24.7	68%	0.677	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-24.3	174.7	-166.8	164.5	0	0	0	112.1	D596 T646	I594-D596 VanDerWaalsContact C-N 3.32Å; I594-T646 HydrophobicContact CG2-CG2 3.68Å
595	N	87.7	Confident	90.3	Very high	62 Å²	62	25.7 Å²	25.7	33%	0.332	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-2.5	-180	-66.7	-16.2	0	0	0	113	S593 I597 Y643 Q644 T646	S593-N595 PolarHBondContact O-N 3.19Å; S593-N595 PolarHBondContact OG-N 3.04Å; N595-I597 PolarHBondContact O-N 3.39Å; N595-I597 VanDerWaalsContact O-N 3.08Å; N595-Y643 HydrophobicContact CB-CD2 4.05Å; N595-Y643 HydrophobicContact CB-CG 4.25Å; N595-Y643 WeakPolarHBondContact O-CB 3.26Å; N595-Q644 PolarHBondContact ND2-O 3.48Å; N595-T646 WeakPolarHBondContact ND2-CG2 3.48Å
596	D	87.2	Confident	90.2	Very high	12 Å²	12	25.9 Å²	25.9	6%	0.064	13%	0.13	C	C	.	.			trans	-76.1	97.9	173.8	-174.9	-2.1	0	0	0	111.3	S593 I594 W598 S599 Y643	S593-D596 PolarHBondContact O-N 3.03Å; I594-D596 VanDerWaalsContact C-N 3.32Å; D596-W598 PolarHBondContact O-N 2.75Å; D596-W598 PolarHBondContact OD1-N 3.43Å; D596-S599 VanDerWaalsContact O-CB 3.26Å; D596-S599 WeakPolarHBondContact O-CB 3.19Å; D596-S599 PolarHBondContact O-N 3.06Å; D596-S599 PolarHBondContact O-OG 3.45Å; D596-Y643 HydrophobicContact CB-CD1 4.14Å; D596-Y643 HydrophobicContact CB-CE1 3.77Å
597	I	82.4	Confident	90	Very high	68 Å²	68	26 Å²	26	35%	0.349	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-6.7	-179.8	66.4	169.9	0	0	0	114.4	P485 N486 N595	P485-I597 WeakPolarHBondContact CG-O 3.15Å; N486-I597 PolarHBondContact ND2-O 3.02Å; N486-I597 PolarHBondContact OD1-O 3.24Å; N595-I597 PolarHBondContact O-N 3.39Å; N595-I597 VanDerWaalsContact O-N 3.08Å
598	W	82.4	Confident	89.8	Confident	22 Å²	22	26.3 Å²	26.3	8%	0.083	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-5.9	175	-75.2	84.8	0	0	0	112.9	F168 L482 P485 D596 Q600 I601 I602	F168-W598 HydrophobicContact CD1-CG 4.47Å; F168-W598 HydrophobicContact CE1-CB 4.05Å; F168-W598 AromaticContact CE1-CD1 3.86Å; F168-W598 AromaticContact CE1-CD2 3.39Å; F168-W598 HydrophobicContact CE1-CD2 3.39Å; F168-W598 AromaticContact CE1-CE2 3.7Å; F168-W598 AromaticContact CE1-CE3 3.82Å; F168-W598 HydrophobicContact CE1-CE3 3.82Å; F168-W598 AromaticContact CE1-CG 3.5Å; F168-W598 HydrophobicContact CE1-CG 3.5Å; F168-W598 HydrophobicContact CE1-CZ2 4.33Å; F168-W598 HydrophobicContact CE1-CZ3 4.46Å; F168-W598 AromaticContact CE1-NE1 3.99Å; F168-W598 AromaticContact CZ-CD2 3.59Å; F168-W598 HydrophobicContact CZ-CD2 3.59Å; F168-W598 AromaticContact CZ-CE2 3.82Å; F168-W598 AromaticContact CZ-CE3 3.56Å; F168-W598 HydrophobicContact CZ-CE3 3.56Å; F168-W598 HydrophobicContact CZ-CG 4.2Å; F168-W598 HydrophobicContact CZ-CH2 4.01Å; F168-W598 HydrophobicContact CZ-CZ2 4.02Å; F168-W598 AromaticContact CZ-CZ3 3.79Å; F168-W598 HydrophobicContact CZ-CZ3 3.79Å; L482-W598 HydrophobicContact CD1-CZ2 4.18Å; L482-W598 HydrophobicContact CD2-CH2 4.47Å; L482-W598 HydrophobicContact CD2-CZ2 3.71Å; P485-W598 HydrophobicContact CB-CD2 4.24Å; P485-W598 HydrophobicContact CB-CE3 4.06Å; P485-W598 HydrophobicContact CB-CH2 4.06Å; P485-W598 HydrophobicContact CB-CZ2 4.24Å; P485-W598 HydrophobicContact CB-CZ3 3.96Å; P485-W598 HydrophobicContact CG-CD2 3.56Å; P485-W598 HydrophobicContact CG-CE3 3.86Å; P485-W598 HydrophobicContact CG-CG 3.97Å; P485-W598 HydrophobicContact CG-CH2 4.28Å; P485-W598 HydrophobicContact CG-CZ2 4.01Å; P485-W598 HydrophobicContact CG-CZ3 4.2Å; D596-W598 PolarHBondContact O-N 2.75Å; D596-W598 PolarHBondContact OD1-N 3.43Å; W598-Q600 PolarHBondContact O-N 2.98Å; W598-I601 HydrophobicContact CE3-CD1 4.13Å; W598-I601 HydrophobicContact CZ3-CD1 4.14Å; W598-I601 PolarHBondContact O-N 3.23Å; W598-I602 HydrophobicContact CB-CD1 3.63Å; W598-I602 HydrophobicContact CB-CG1 3.82Å; W598-I602 WeakPolarHBondContact O-CG1 3.32Å; W598-I602 PolarHBondContact O-N 3.41Å
599	S	84	Confident	89.6	Confident	15 Å²	15	26.3 Å²	26.3	11%	0.105	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-8.8	-167.7	69.1	0	0	0	0	116.1	K592 D596 G603	K592-S599 PolarHBondContact NZ-OG 2.89Å; D596-S599 VanDerWaalsContact O-CB 3.26Å; D596-S599 WeakPolarHBondContact O-CB 3.19Å; D596-S599 PolarHBondContact O-N 3.06Å; D596-S599 PolarHBondContact O-OG 3.45Å; S599-G603 WeakPolarHBondContact O-CA 3.16Å; S599-G603 PolarHBondContact O-N 3.11Å
600	Q	79.9	Confident	89.5	Confident	70 Å²	70	26.3 Å²	26.3	33%	0.327	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-33.8	170	-165.4	174.6	-22.9	0	0	111.4	N486 F489 W598	N486-Q600 HydrophobicContact CB-CB 3.97Å; N486-Q600 PolarHBondContact O-OE1 2.92Å; N486-Q600 WeakPolarHBondContact OD1-CB 3.23Å; N486-Q600 PolarHBondContact OD1-N 3.37Å; F489-Q600 HydrophobicContact CD1-CG 3.89Å; F489-Q600 HydrophobicContact CE1-CG 4.39Å; W598-Q600 PolarHBondContact O-N 2.98Å
601	I	86	Confident	89.3	Confident	4 Å²	4	26.4 Å²	26.4	2%	0.021	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-58.4	178.5	-55.5	-175.6	0	0	0	110	L454 P485 F489 W537 W598	L454-I601 HydrophobicContact CD2-CG2 4.41Å; P485-I601 HydrophobicContact CB-CD1 3.75Å; F489-I601 HydrophobicContact CB-CD1 4.3Å; F489-I601 HydrophobicContact CB-CG1 4.04Å; F489-I601 HydrophobicContact CD1-CG1 4.43Å; F489-I601 HydrophobicContact CD2-CD1 4.08Å; F489-I601 HydrophobicContact CD2-CG1 3.65Å; F489-I601 HydrophobicContact CE2-CG1 4.21Å; F489-I601 HydrophobicContact CE2-CG2 4.48Å; F489-I601 HydrophobicContact CG-CD1 4.4Å; F489-I601 HydrophobicContact CG-CG1 3.79Å; W537-I601 WeakPolarHBondContact CZ2-O 3.39Å; W537-I601 PolarHBondContact NE1-O 3.24Å; W598-I601 HydrophobicContact CE3-CD1 4.13Å; W598-I601 HydrophobicContact CZ3-CD1 4.14Å; W598-I601 PolarHBondContact O-N 3.23Å
602	I	89.2	Confident	89.3	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-15.8	-172.1	67.5	-179.1	0	0	0	113.3	F168 V450 F451 L454 R541 W598 I604 Y605	F168-I602 HydrophobicContact CD1-CD1 3.48Å; F168-I602 VanDerWaalsContact CD1-CD1 3.48Å; F168-I602 HydrophobicContact CE1-CD1 3.79Å; F168-I602 HydrophobicContact CG-CD1 4.02Å; V450-I602 HydrophobicContact CG2-CB 4.32Å; F451-I602 HydrophobicContact CE1-CG2 4.42Å; L454-I602 HydrophobicContact CD1-CG2 4.04Å; R541-I602 PolarHBondContact NH1-O 2.89Å; W598-I602 HydrophobicContact CB-CD1 3.63Å; W598-I602 HydrophobicContact CB-CG1 3.82Å; W598-I602 WeakPolarHBondContact O-CG1 3.32Å; W598-I602 PolarHBondContact O-N 3.41Å; I602-I604 PolarHBondContact O-N 3.46Å; I602-Y605 HydrophobicContact CB-CD1 4.44Å; I602-Y605 HydrophobicContact CD1-CD1 3.39Å; I602-Y605 HydrophobicContact CD1-CE1 3.61Å; I602-Y605 HydrophobicContact CD1-CG 4Å; I602-Y605 HydrophobicContact CG1-CD1 3.67Å; I602-Y605 HydrophobicContact CG1-CE1 4.25Å; I602-Y605 HydrophobicContact CG1-CG 4.35Å
603	G	90.4	Very high	89.5	Confident	5 Å²	5	22 Å²	22	5%	0.052	12%	0.115	C	C	.	.			trans	55.3	-133.2	-178.4	0	0	0	0	0	112.7	D447 R541 S599	D447-G603 VanDerWaalsContact OD2-CA 3.3Å; D447-G603 WeakPolarHBondContact OD2-CA 3.48Å; R541-G603 VanDerWaalsContact NH1-N 3.17Å; S599-G603 WeakPolarHBondContact O-CA 3.16Å; S599-G603 PolarHBondContact O-N 3.11Å
604	I	94	Very high	89.6	Confident	16 Å²	16	22 Å²	22	8%	0.082	12%	0.115	C	C	.	.	S	Bend	trans	-100	89.1	179.2	-52.9	150.9	0	0	0	108	V445 V446 D447 F589 G590 K592 I602 S608	V445-I604 HydrophobicContact CB-CG2 3.87Å; V445-I604 HydrophobicContact CG1-CG2 4.07Å; V445-I604 WeakPolarHBondContact CG2-O 3.47Å; V446-I604 HydrophobicContact CB-CB 4.44Å; V446-I604 HydrophobicContact CB-CD1 3.9Å; V446-I604 HydrophobicContact CG2-CD1 3.93Å; D447-I604 CarbonylContact C-O 3.45Å; D447-I604 WeakPolarHBondContact CA-O 3.26Å; D447-I604 VanDerWaalsContact CB-O 3.3Å; D447-I604 WeakPolarHBondContact CB-O 3.28Å; D447-I604 PolarHBondContact N-O 2.84Å; D447-I604 PolarHBondContact OD2-N 2.86Å; F589-I604 HydrophobicContact CD1-CG2 3.92Å; F589-I604 HydrophobicContact CE1-CG2 4.38Å; G590-I604 WeakPolarHBondContact O-CD1 3.45Å; K592-I604 HydrophobicContact CB-CG1 4.11Å; K592-I604 HydrophobicContact CG-CG1 4.5Å; I602-I604 PolarHBondContact O-N 3.46Å; I604-S608 WeakPolarHBondContact CG2-OG 3.07Å
605	Y	93.6	Very high	89.7	Confident	20 Å²	20	15.8 Å²	15.8	8%	0.078	8%	0.083	C	C	.	.			trans	-85.6	162.5	-166.9	59	-89.7	0	0	0	113	F168 F451 I602 G607 S608	F168-Y605 HydrophobicContact CB-CE2 4.27Å; F168-Y605 PolarHBondContact O-OH 2.92Å; F451-Y605 HydrophobicContact CE2-CD2 4.16Å; F451-Y605 AromaticContact CZ-CD2 3.68Å; F451-Y605 HydrophobicContact CZ-CD2 3.68Å; F451-Y605 AromaticContact CZ-CG 3.97Å; F451-Y605 HydrophobicContact CZ-CG 3.97Å; I602-Y605 HydrophobicContact CB-CD1 4.44Å; I602-Y605 HydrophobicContact CD1-CD1 3.39Å; I602-Y605 HydrophobicContact CD1-CE1 3.61Å; I602-Y605 HydrophobicContact CD1-CG 4Å; I602-Y605 HydrophobicContact CG1-CD1 3.67Å; I602-Y605 HydrophobicContact CG1-CE1 4.25Å; I602-Y605 HydrophobicContact CG1-CG 4.35Å; Y605-G607 PolarHBondContact O-N 3.44Å; Y605-S608 WeakPolarHBondContact O-CB 3.4Å; Y605-S608 PolarHBondContact O-N 2.68Å; Y605-S608 VanDerWaalsContact O-N 3.07Å; Y605-S608 PolarHBondContact O-OG 3.14Å
606	P	93.5	Very high	89.5	Confident	4 Å²	4	12.8 Å²	12.8	3%	0.026	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	127.8	177.4	-28.8	34.4	0	0	0	113.2	F165 Y220 D448 F451 S608	F165-P606 HydrophobicContact CD2-CB 4.14Å; F165-P606 HydrophobicContact CE2-CB 4.1Å; Y220-P606 HydrophobicContact CE2-CB 4.37Å; Y220-P606 HydrophobicContact CE2-CG 4.48Å; D448-P606 WeakPolarHBondContact O-CG 3.28Å; F451-P606 HydrophobicContact CD2-CB 4.4Å; F451-P606 HydrophobicContact CD2-CG 3.99Å; F451-P606 HydrophobicContact CE2-CB 4.29Å; F451-P606 HydrophobicContact CE2-CG 4.2Å; P606-S608 VanDerWaalsContact C-N 3.29Å
607	G	92.4	Very high	89.4	Confident	5 Å²	5	12.2 Å²	12.2	5%	0.052	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	-4.1	178.3	0	0	0	0	0	114	H314 Y605 E609 L610 P611	H314-G607 PolarHBondContact NE2-N 2.68Å; Y605-G607 PolarHBondContact O-N 3.44Å; G607-E609 WeakPolarHBondContact CA-OE2 3.18Å; G607-E609 PolarHBondContact N-OE2 3.44Å; G607-E609 PolarHBondContact O-N 3.06Å; G607-L610 WeakPolarHBondContact O-CB 3.32Å; G607-L610 PolarHBondContact O-N 2.81Å; G607-L610 VanDerWaalsContact O-N 3.15Å; G607-P611 VanDerWaalsContact O-CD 3.24Å; G607-P611 WeakPolarHBondContact O-CD 3.42Å
608	S	92.4	Very high	89.3	Confident	12 Å²	12	12.3 Å²	12.3	8%	0.084	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-21	174.1	62.1	0	0	0	0	113.1	I604 Y605 P606 P611 Y612	I604-S608 WeakPolarHBondContact CG2-OG 3.07Å; Y605-S608 WeakPolarHBondContact O-CB 3.4Å; Y605-S608 PolarHBondContact O-N 2.68Å; Y605-S608 VanDerWaalsContact O-N 3.07Å; Y605-S608 PolarHBondContact O-OG 3.14Å; P606-S608 VanDerWaalsContact C-N 3.29Å; S608-P611 WeakPolarHBondContact O-CD 3.46Å; S608-Y612 WeakPolarHBondContact O-CD2 3.29Å; S608-Y612 WeakPolarHBondContact O-CE2 3.4Å
609	E	94.1	Very high	89	Confident	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-24.8	175.2	73.8	-80.4	-155.8	0	0	113.4	H314 M344 S345 V445 F589 G607 Y612 L613	H314-E609 IonicContact CD2-OE1 3.87Å; H314-E609 PolarHBondContact CD2-OE1 3.47Å; H314-E609 IonicContact NE2-OE1 2.83Å; H314-E609 PolarHBondContact NE2-OE1 3.28Å; H314-E609 VanDerWaalsContact NE2-OE1 3.15Å; M344-E609 HydrophobicContact CE-CG 3.38Å; S345-E609 PolarHBondContact OG-OE1 3.28Å; V445-E609 HydrophobicContact CG1-CB 4.14Å; V445-E609 HydrophobicContact CG1-CG 4.24Å; V445-E609 VanDerWaalsContact CG1-OE2 3.25Å; V445-E609 WeakPolarHBondContact CG1-OE2 3.14Å; F589-E609 HydrophobicContact CB-CB 4.42Å; F589-E609 HydrophobicContact CD1-CB 3.79Å; F589-E609 HydrophobicContact CD2-CB 4.07Å; F589-E609 HydrophobicContact CE1-CB 3.96Å; F589-E609 HydrophobicContact CE2-CB 4.24Å; F589-E609 HydrophobicContact CG-CB 3.84Å; F589-E609 HydrophobicContact CZ-CB 4.18Å; G607-E609 WeakPolarHBondContact CA-OE2 3.18Å; G607-E609 PolarHBondContact N-OE2 3.44Å; G607-E609 PolarHBondContact O-N 3.06Å; E609-Y612 PolarHBondContact O-N 3.4Å; E609-Y612 VanDerWaalsContact O-N 3.16Å; E609-L613 PolarHBondContact O-N 3.03Å; E609-L613 VanDerWaalsContact O-N 3.16Å
610	L	94.8	Very high	88.2	Confident	0 Å²	0	14 Å²	14	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62.1	-40.7	-176.8	-62.7	176.1	0	0	0	114	F216 Y230 H314 M344 G607 Y612 L613 F614	F216-L610 HydrophobicContact CE2-CD2 4Å; F216-L610 HydrophobicContact CZ-CD2 3.92Å; Y230-L610 HydrophobicContact CD1-CB 4.34Å; Y230-L610 HydrophobicContact CE1-CB 3.85Å; Y230-L610 HydrophobicContact CE1-CD1 3.7Å; Y230-L610 HydrophobicContact CE1-CG 4.41Å; Y230-L610 HydrophobicContact CE2-CD1 4.32Å; Y230-L610 WeakPolarHBondContact OH-CD1 3.18Å; H314-L610 HydrophobicContact CB-CD2 4.35Å; M344-L610 HydrophobicContact CE-CD2 3.93Å; M344-L610 HydrophobicContact SD-CD2 4.33Å; G607-L610 WeakPolarHBondContact O-CB 3.32Å; G607-L610 PolarHBondContact O-N 2.81Å; G607-L610 VanDerWaalsContact O-N 3.15Å; L610-Y612 PolarHBondContact O-N 2.91Å; L610-L613 HydrophobicContact CD2-CD2 3.97Å; L610-L613 WeakPolarHBondContact O-CB 3.43Å; L610-L613 PolarHBondContact O-N 3.4Å; L610-L613 VanDerWaalsContact O-N 3.14Å; L610-F614 HydrophobicContact CD2-CE2 4.5Å; L610-F614 WeakPolarHBondContact O-CD2 2.9Å; L610-F614 PolarHBondContact O-N 2.97Å
611	P	91.1	Very high	86.9	Confident	8 Å²	8	17.6 Å²	17.6	5%	0.052	9%	0.093	C	C	.	.	H	α-helix	trans	-53.6	-38.1	173.6	-11.6	7.1	0	0	0	113.3	F170 G607 S608 G615 L616 P617 Y645	F170-P611 HydrophobicContact CE2-CB 3.85Å; F170-P611 HydrophobicContact CE2-CG 3.6Å; F170-P611 HydrophobicContact CZ-CB 3.97Å; F170-P611 HydrophobicContact CZ-CG 3.93Å; G607-P611 VanDerWaalsContact O-CD 3.24Å; G607-P611 WeakPolarHBondContact O-CD 3.42Å; S608-P611 WeakPolarHBondContact O-CD 3.46Å; P611-G615 PolarHBondContact O-N 2.03Å; P611-G615 VanDerWaalsContact O-N 3.12Å; P611-L616 HydrophobicContact CB-CB 4.24Å; P611-L616 HydrophobicContact CB-CD1 4.13Å; P611-L616 PolarHBondContact O-N 2.87Å; P611-P617 VanDerWaalsContact O-CD 3.31Å; P611-P617 WeakPolarHBondContact O-CD 3.27Å; P611-Y645 WeakPolarHBondContact CB-OH 3.23Å
612	Y	93.6	Very high	85.5	Confident	4 Å²	4	22.1 Å²	22.1	2%	0.016	11%	0.111	C	C	.	.	H	α-helix	trans	-74.6	-37.1	-179.8	-55.2	-83.7	0	0	0	112	F589 Y591 S608 E609 L610 G615 P617 D649 M652 S653	F589-Y612 HydrophobicContact CE1-CD2 4.27Å; F589-Y612 HydrophobicContact CE1-CE2 4.28Å; F589-Y612 HydrophobicContact CE2-CD2 4.35Å; F589-Y612 AromaticContact CZ-CD2 3.53Å; F589-Y612 HydrophobicContact CZ-CD2 3.53Å; F589-Y612 AromaticContact CZ-CE2 3.82Å; F589-Y612 HydrophobicContact CZ-CE2 3.82Å; F589-Y612 HydrophobicContact CZ-CG 4.12Å; Y591-Y612 AromaticContact CD1-CE1 3.87Å; Y591-Y612 HydrophobicContact CD1-CE1 3.87Å; Y591-Y612 HydrophobicContact CD1-CE2 4.17Å; Y591-Y612 AromaticContact CD1-CZ 3.65Å; Y591-Y612 HydrophobicContact CE1-CD1 4.47Å; Y591-Y612 AromaticContact CE1-CE1 3.5Å; Y591-Y612 HydrophobicContact CE1-CE1 3.5Å; Y591-Y612 VanDerWaalsContact CE1-CE1 3.5Å; Y591-Y612 HydrophobicContact CE1-CE2 4.44Å; Y591-Y612 AromaticContact CE1-CZ 3.49Å; Y591-Y612 VanDerWaalsContact CE1-CZ 3.49Å; Y591-Y612 VanDerWaalsContact CE1-OH 3.29Å; Y591-Y612 WeakPolarHBondContact CE1-OH 3.38Å; S608-Y612 WeakPolarHBondContact O-CD2 3.29Å; S608-Y612 WeakPolarHBondContact O-CE2 3.4Å; E609-Y612 PolarHBondContact O-N 3.4Å; E609-Y612 VanDerWaalsContact O-N 3.16Å; L610-Y612 PolarHBondContact O-N 2.91Å; Y612-G615 PolarHBondContact O-N 3.27Å; Y612-P617 HydrophobicContact CD1-CG 3.96Å; Y612-P617 HydrophobicContact CE1-CG 3.99Å; Y612-D649 HydrophobicContact CE1-CB 4.06Å; Y612-D649 PolarHBondContact OH-OD1 3.31Å; Y612-M652 HydrophobicContact CD1-CB 4.03Å; Y612-M652 HydrophobicContact CD1-CG 4.02Å; Y612-M652 HydrophobicContact CE1-CB 4.21Å; Y612-M652 HydrophobicContact CE1-CG 4.36Å; Y612-S653 PolarHBondContact O-OG 3.49Å; Y612-S653 VanDerWaalsContact O-OG 3.05Å
613	L	95.1	Very high	84	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-60.2	-44.8	172.9	173.9	69.2	0	0	0	111.8	F216 M344 E609 L610 G615 M656 L657 I660	F216-L613 HydrophobicContact CD2-CD2 4.41Å; F216-L613 HydrophobicContact CE2-CD2 4.15Å; M344-L613 HydrophobicContact CE-CD2 4.05Å; M344-L613 HydrophobicContact SD-CD2 3.7Å; E609-L613 PolarHBondContact O-N 3.03Å; E609-L613 VanDerWaalsContact O-N 3.16Å; L610-L613 HydrophobicContact CD2-CD2 3.97Å; L610-L613 WeakPolarHBondContact O-CB 3.43Å; L610-L613 PolarHBondContact O-N 3.4Å; L610-L613 VanDerWaalsContact O-N 3.14Å; L613-G615 VanDerWaalsContact C-N 3.31Å; L613-M656 HydrophobicContact CB-CG 4.33Å; L613-L657 WeakPolarHBondContact O-CD2 3.46Å; L613-I660 HydrophobicContact CD1-CB 4.15Å; L613-I660 HydrophobicContact CD1-CD1 3.94Å; L613-I660 HydrophobicContact CD1-CG1 3.57Å; L613-I660 HydrophobicContact CD1-CG2 3.86Å
614	F	90.7	Very high	82.9	Confident	3 Å²	3	33.5 Å²	33.5	1%	0.013	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	1.4	-178	-76.8	-80.6	0	0	0	113.8	F216 Y230 V234 L235 T244 L610 L616	F216-F614 HydrophobicContact CB-CZ 4.29Å; F216-F614 HydrophobicContact CD1-CE2 4.32Å; F216-F614 AromaticContact CD1-CZ 3.76Å; F216-F614 HydrophobicContact CD1-CZ 3.76Å; F216-F614 HydrophobicContact CD2-CE2 4.22Å; F216-F614 AromaticContact CD2-CZ 3.93Å; F216-F614 HydrophobicContact CD2-CZ 3.93Å; F216-F614 HydrophobicContact CE1-CE2 4.1Å; F216-F614 HydrophobicContact CE1-CZ 4Å; F216-F614 HydrophobicContact CE2-CE2 4.02Å; F216-F614 HydrophobicContact CE2-CZ 4.18Å; F216-F614 HydrophobicContact CG-CE2 4.38Å; F216-F614 AromaticContact CG-CZ 3.72Å; F216-F614 HydrophobicContact CG-CZ 3.72Å; F216-F614 AromaticContact CZ-CE2 3.96Å; F216-F614 HydrophobicContact CZ-CE2 3.96Å; F216-F614 HydrophobicContact CZ-CZ 4.21Å; Y230-F614 VanDerWaalsContact CB-CZ 3.49Å; Y230-F614 AromaticContact CD1-CD2 3.83Å; Y230-F614 HydrophobicContact CD1-CD2 3.83Å; Y230-F614 AromaticContact CD1-CE2 3.95Å; Y230-F614 HydrophobicContact CD1-CE2 3.95Å; Y230-F614 HydrophobicContact CG-CD2 4.08Å; Y230-F614 AromaticContact CG-CE2 3.81Å; Y230-F614 HydrophobicContact CG-CE2 3.81Å; Y230-F614 HydrophobicContact CG-CZ 4.21Å; Y230-F614 WeakPolarHBondContact O-CE1 3.47Å; V234-F614 WeakPolarHBondContact CB-O 3.49Å; L235-F614 HydrophobicContact CD1-CD1 4.2Å; L235-F614 HydrophobicContact CD1-CE1 4.36Å; T244-F614 HydrophobicContact CG2-CE1 4.41Å; L610-F614 HydrophobicContact CD2-CE2 4.5Å; L610-F614 WeakPolarHBondContact O-CD2 2.9Å; L610-F614 PolarHBondContact O-N 2.97Å; F614-L616 VanDerWaalsContact C-N 3.33Å; F614-L616 HydrophobicContact CB-CG 4.29Å; F614-L616 PolarHBondContact O-N 2.65Å
615	G	88.2	Confident	81.6	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	13.9	174.8	0	0	0	0	0	115.1	P611 Y612 L613 L618 S653	P611-G615 PolarHBondContact O-N 2.03Å; P611-G615 VanDerWaalsContact O-N 3.12Å; Y612-G615 PolarHBondContact O-N 3.27Å; L613-G615 VanDerWaalsContact C-N 3.31Å; G615-L618 VanDerWaalsContact O-CB 3.3Å; G615-L618 WeakPolarHBondContact O-CB 3.48Å; G615-L618 PolarHBondContact O-N 2.89Å; G615-S653 VanDerWaalsContact CA-OG 3.31Å; G615-S653 WeakPolarHBondContact CA-OG 3.3Å
616	L	84.8	Confident	80.5	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-59.7	-37.2	-171.9	-61.1	-174.9	0	0	0	114.2	F170 P611 F614 L618 L619 W632	F170-L616 HydrophobicContact CD2-CD1 3.95Å; F170-L616 HydrophobicContact CE1-CD1 4.18Å; F170-L616 HydrophobicContact CE2-CD1 3.23Å; F170-L616 HydrophobicContact CZ-CD1 3.36Å; P611-L616 HydrophobicContact CB-CB 4.24Å; P611-L616 HydrophobicContact CB-CD1 4.13Å; P611-L616 PolarHBondContact O-N 2.87Å; F614-L616 VanDerWaalsContact C-N 3.33Å; F614-L616 HydrophobicContact CB-CG 4.29Å; F614-L616 PolarHBondContact O-N 2.65Å; L616-L618 PolarHBondContact O-N 3.1Å; L616-L619 HydrophobicContact CD2-CD1 3.73Å; L616-L619 WeakPolarHBondContact O-CB 3.49Å; L616-L619 PolarHBondContact O-N 3.39Å; L616-W632 HydrophobicContact CB-CH2 3.94Å
617	P	85.6	Confident	79.3	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-57.6	-27.9	173.3	-28.4	37.4	0	0	0	114.5	P611 Y612 L619 Y645 D649 I650	P611-P617 VanDerWaalsContact O-CD 3.31Å; P611-P617 WeakPolarHBondContact O-CD 3.27Å; Y612-P617 HydrophobicContact CD1-CG 3.96Å; Y612-P617 HydrophobicContact CE1-CG 3.99Å; P617-L619 PolarHBondContact O-N 3.11Å; P617-Y645 HydrophobicContact CB-CD1 4.2Å; P617-Y645 HydrophobicContact CB-CD2 4.16Å; P617-Y645 HydrophobicContact CB-CG 3.95Å; P617-Y645 HydrophobicContact CG-CD1 3.93Å; P617-Y645 HydrophobicContact CG-CD2 4.28Å; P617-Y645 HydrophobicContact CG-CE1 3.93Å; P617-Y645 HydrophobicContact CG-CE2 4.25Å; P617-Y645 HydrophobicContact CG-CG 4.11Å; P617-D649 HydrophobicContact CB-CB 4.16Å; P617-D649 HydrophobicContact CG-CB 4.36Å; P617-I650 HydrophobicContact CB-CG1 4.27Å; P617-I650 WeakPolarHBondContact O-CG1 3.34Å
618	L	80.5	Confident	78.1	Confident	69 Å²	69	45.3 Å²	45.3	36%	0.361	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-74.2	-14.7	178.6	-67.1	156.9	0	0	0	113.1	V234 G615 L616 Q620 I650 L657	V234-L618 HydrophobicContact CG1-CD1 4.01Å; G615-L618 VanDerWaalsContact O-CB 3.3Å; G615-L618 WeakPolarHBondContact O-CB 3.48Å; G615-L618 PolarHBondContact O-N 2.89Å; L616-L618 PolarHBondContact O-N 3.1Å; L618-Q620 VanDerWaalsContact C-N 3.25Å; L618-Q620 PolarHBondContact O-N 3.47Å; L618-I650 HydrophobicContact CD2-CG2 3.71Å; L618-L657 HydrophobicContact CD1-CD1 3.32Å
619	L	74.6	Confident	77	Confident	39 Å²	39	48.3 Å²	48.3	20%	0.204	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-85	-0.2	-179.9	-55.5	176	0	0	0	112.8	H233 V234 L616 P617 L621 W632 L636	H233-L619 WeakPolarHBondContact NE2-CD1 3.33Å; H233-L619 VanDerWaalsContact NE2-CD2 3.29Å; H233-L619 WeakPolarHBondContact NE2-CD2 3.31Å; V234-L619 HydrophobicContact CG2-CD1 4.3Å; V234-L619 HydrophobicContact CG2-CD2 3.71Å; V234-L619 HydrophobicContact CG2-CG 4.1Å; L616-L619 HydrophobicContact CD2-CD1 3.73Å; L616-L619 WeakPolarHBondContact O-CB 3.49Å; L616-L619 PolarHBondContact O-N 3.39Å; P617-L619 PolarHBondContact O-N 3.11Å; L619-L621 VanDerWaalsContact C-N 3.32Å; L619-L621 PolarHBondContact O-N 3.46Å; L619-W632 HydrophobicContact CB-CZ2 4.31Å; L619-L636 HydrophobicContact CD1-CD1 3.67Å; L619-L636 HydrophobicContact CD1-CD2 4.22Å
620	Q	67.5	Low	75.9	Confident	34 Å²	34	55 Å²	55	16%	0.159	26%	0.264	C	S	.	.			trans	-82.6	76.4	175.5	-164.3	-179.8	-65.4	0	0	110.7	L618 I628 Y645	L618-Q620 VanDerWaalsContact C-N 3.25Å; L618-Q620 PolarHBondContact O-N 3.47Å; Q620-I628 HydrophobicContact CG-CD1 3.59Å; Q620-I628 HydrophobicContact CG-CG1 4.26Å; Q620-Y645 PolarHBondContact NE2-O 3.1Å; Q620-Y645 VanDerWaalsContact OE1-CB 3.31Å; Q620-Y645 PolarHBondContact OE1-O 2.86Å
621	L	53	Low	74.5	Confident	145 Å²	145	57.5 Å²	57.5	76%	0.759	28%	0.276	S	S	*	.			trans	-76.4	-28.6	173.3	-74.4	163	0	0	0	112.6	L619	L619-L621 VanDerWaalsContact C-N 3.32Å; L619-L621 PolarHBondContact O-N 3.46Å
622	Y	55.9	Low	73.4	Confident	100 Å²	100	57.6 Å²	57.6	39%	0.392	28%	0.275	S	S	.	.	S	Bend	trans	-97	150.4	-169.1	-59.4	-78.5	0	0	0	112.8	E627 Q631	Y622-E627 HydrophobicContact CG-CB 4.26Å; Y622-Q631 HydrophobicContact CD2-CG 4.38Å; Y622-Q631 HydrophobicContact CE2-CB 4.44Å; Y622-Q631 HydrophobicContact CE2-CG 3.83Å
623	K	58.2	Low	72.1	Confident	181 Å²	181	59.5 Å²	59.5	79%	0.787	29%	0.287	S	S	*	.	S	Bend	trans	-84.9	-27.4	-168	-68.9	-176.9	-179.9	177.6	0	112.7	E627 Q644	K623-E627 PolarHBondContact N-OE2 2.93Å; K623-Q644 PolarHBondContact O-NE2 3.48Å; K623-Q644 VanDerWaalsContact O-NE2 3.1Å
624	T	67.3	Low	70.5	Confident	63 Å²	63	63 Å²	63	39%	0.387	31%	0.305	S	S	.	.	S	Bend	trans	-110.7	148	-174.2	69.7	0	0	0	0	112.9	E626 E627 I628	T624-E626 PolarHBondContact O-N 2.93Å; T624-E627 PolarHBondContact N-OE2 3.35Å; T624-E627 VanDerWaalsContact N-OE2 3.09Å; T624-E627 PolarHBondContact O-N 2.92Å; T624-E627 WeakPolarHBondContact OG1-CG 3.03Å; T624-E627 PolarHBondContact OG1-N 2.89Å; T624-E627 PolarHBondContact OG1-OE2 3.17Å; T624-I628 WeakPolarHBondContact O-CG1 3.17Å; T624-I628 PolarHBondContact O-N 3.5Å
625	I	67.4	Low	69.1	Low	67 Å²	67	64.3 Å²	64.3	34%	0.344	31%	0.312	S	S	.	.	H	α-helix	trans	-62.5	-31.1	177.4	-165.1	64.7	0	0	0	112.3	I628 N629	I625-I628 PolarHBondContact O-N 2.77Å; I625-N629 VanDerWaalsContact O-CB 3.26Å; I625-N629 WeakPolarHBondContact O-CB 3.19Å; I625-N629 PolarHBondContact O-N 3.25Å; I625-N629 PolarHBondContact O-ND2 3.44Å
626	E	69.7	Low	68.1	Low	136 Å²	136	65.1 Å²	65.1	64%	0.636	32%	0.316	S	S	*	.	H	α-helix	trans	-67.4	-39.6	177.9	-68.2	-177.2	-171.6	0	0	112.5	T624 K630	T624-E626 PolarHBondContact O-N 2.93Å; E626-K630 WeakPolarHBondContact O-CG 3.47Å; E626-K630 PolarHBondContact O-N 3.45Å
627	E	68.5	Low	67.3	Low	84 Å²	84	66.3 Å²	66.3	39%	0.393	32%	0.323	S	S	.	.	H	α-helix	trans	-64.6	-47.7	173.7	-71.7	162.5	157.1	0	0	110.3	Y622 K623 T624 N629 K630 Q631	Y622-E627 HydrophobicContact CG-CB 4.26Å; K623-E627 PolarHBondContact N-OE2 2.93Å; T624-E627 PolarHBondContact N-OE2 3.35Å; T624-E627 VanDerWaalsContact N-OE2 3.09Å; T624-E627 PolarHBondContact O-N 2.92Å; T624-E627 WeakPolarHBondContact OG1-CG 3.03Å; T624-E627 PolarHBondContact OG1-N 2.89Å; T624-E627 PolarHBondContact OG1-OE2 3.17Å; E627-N629 VanDerWaalsContact C-N 3.32Å; E627-N629 PolarHBondContact O-N 3.47Å; E627-K630 PolarHBondContact O-N 3.06Å; E627-K630 VanDerWaalsContact O-N 3.15Å; E627-Q631 VanDerWaalsContact O-CB 3.27Å; E627-Q631 WeakPolarHBondContact O-CB 3.34Å; E627-Q631 PolarHBondContact O-N 2.75Å
628	I	67.7	Low	66.7	Low	6 Å²	6	66.3 Å²	66.3	3%	0.031	32%	0.323	C	S	.	.	H	α-helix	trans	-57.7	-45.7	177.5	-64.1	164.9	0	0	0	110.7	Q620 T624 I625 K630 Q631 W632 P640 Q644	Q620-I628 HydrophobicContact CG-CD1 3.59Å; Q620-I628 HydrophobicContact CG-CG1 4.26Å; T624-I628 WeakPolarHBondContact O-CG1 3.17Å; T624-I628 PolarHBondContact O-N 3.5Å; I625-I628 PolarHBondContact O-N 2.77Å; I628-K630 VanDerWaalsContact C-N 3.27Å; I628-K630 PolarHBondContact O-N 3.07Å; I628-Q631 PolarHBondContact O-N 3.37Å; I628-W632 HydrophobicContact CG2-CD2 4.4Å; I628-W632 HydrophobicContact CG2-CG 4.16Å; I628-W632 WeakPolarHBondContact O-CB 3.11Å; I628-W632 PolarHBondContact O-N 3.3Å; I628-P640 HydrophobicContact CG2-CB 3.64Å; I628-P640 HydrophobicContact CG2-CG 4.12Å; I628-Q644 HydrophobicContact CD1-CG 4.29Å
629	N	69.3	Low	66.3	Low	75 Å²	75	67.2 Å²	67.2	40%	0.401	32%	0.324	S	S	.	.	H	α-helix	trans	-61.4	-29	178.1	-76.9	-22.7	0	0	0	114.2	I625 E627 V633 P640	I625-N629 VanDerWaalsContact O-CB 3.26Å; I625-N629 WeakPolarHBondContact O-CB 3.19Å; I625-N629 PolarHBondContact O-N 3.25Å; I625-N629 PolarHBondContact O-ND2 3.44Å; E627-N629 VanDerWaalsContact C-N 3.32Å; E627-N629 PolarHBondContact O-N 3.47Å; N629-V633 WeakPolarHBondContact O-CG2 3.26Å; N629-P640 HydrophobicContact CB-CG 4.48Å; N629-P640 WeakPolarHBondContact OD1-CG 3.35Å
630	K	69.7	Low	66.2	Low	141 Å²	141	65.9 Å²	65.9	61%	0.613	32%	0.318	S	S	*	.	H	α-helix	trans	-85.4	-42.2	174.6	-70.2	172.1	-176.9	170	0	110.7	E626 E627 I628 I634	E626-K630 WeakPolarHBondContact O-CG 3.47Å; E626-K630 PolarHBondContact O-N 3.45Å; E627-K630 PolarHBondContact O-N 3.06Å; E627-K630 VanDerWaalsContact O-N 3.15Å; I628-K630 VanDerWaalsContact C-N 3.27Å; I628-K630 PolarHBondContact O-N 3.07Å; K630-I634 WeakPolarHBondContact O-CD1 3.43Å; K630-I634 VanDerWaalsContact O-CG1 3.27Å; K630-I634 WeakPolarHBondContact O-CG1 3.18Å; K630-I634 PolarHBondContact O-N 2.8Å
631	Q	65.6	Low	66.6	Low	52 Å²	52	65.1 Å²	65.1	24%	0.243	32%	0.315	C	S	.	.	H	α-helix	trans	-77.7	-42.8	-168.9	-163.9	69.3	14.2	0	0	113.3	Y622 E627 I628 V633 I634 D635	Y622-Q631 HydrophobicContact CD2-CG 4.38Å; Y622-Q631 HydrophobicContact CE2-CB 4.44Å; Y622-Q631 HydrophobicContact CE2-CG 3.83Å; E627-Q631 VanDerWaalsContact O-CB 3.27Å; E627-Q631 WeakPolarHBondContact O-CB 3.34Å; E627-Q631 PolarHBondContact O-N 2.75Å; I628-Q631 PolarHBondContact O-N 3.37Å; Q631-V633 PolarHBondContact O-N 3.29Å; Q631-I634 CarbonylContact O-C 3.57Å; Q631-I634 PolarHBondContact O-N 2.58Å; Q631-I634 VanDerWaalsContact O-N 3.13Å; Q631-D635 WeakPolarHBondContact CG-OD2 3.3Å; Q631-D635 PolarHBondContact NE2-OD1 3.24Å; Q631-D635 PolarHBondContact NE2-OD2 3.21Å; Q631-D635 WeakPolarHBondContact O-CB 3.43Å; Q631-D635 VanDerWaalsContact O-CG 3.32Å; Q631-D635 PolarHBondContact O-N 2.96Å
632	W	68.6	Low	67.6	Low	10 Å²	10	64.6 Å²	64.6	4%	0.038	30%	0.303	C	S	.	.	H	α-helix	trans	-62.7	-28.8	178.3	-81.9	37.8	0	0	0	112.7	F170 L616 L619 I628 L636 N637 L638 P640 Y645	F170-W632 HydrophobicContact CE1-CZ3 4.03Å; L616-W632 HydrophobicContact CB-CH2 3.94Å; L619-W632 HydrophobicContact CB-CZ2 4.31Å; I628-W632 HydrophobicContact CG2-CD2 4.4Å; I628-W632 HydrophobicContact CG2-CG 4.16Å; I628-W632 WeakPolarHBondContact O-CB 3.11Å; I628-W632 PolarHBondContact O-N 3.3Å; W632-L636 HydrophobicContact CD2-CD1 3.86Å; W632-L636 HydrophobicContact CE3-CD1 4.12Å; W632-L636 HydrophobicContact CG-CD1 4.05Å; W632-L636 CarbonylContact O-C 3.55Å; W632-L636 WeakPolarHBondContact O-CA 3.48Å; W632-L636 WeakPolarHBondContact O-CB 2.97Å; W632-L636 PolarHBondContact O-N 3.22Å; W632-N637 PolarHBondContact O-N 2.89Å; W632-L638 CarbonylContact C-O 3.51Å; W632-L638 WeakPolarHBondContact CB-O 3.39Å; W632-L638 HydrophobicContact CE3-CB 4.32Å; W632-L638 PolarHBondContact O-N 3.01Å; W632-P640 HydrophobicContact CB-CB 4.26Å; W632-P640 HydrophobicContact CB-CG 4.42Å; W632-P640 HydrophobicContact CD2-CB 3.83Å; W632-P640 VanDerWaalsContact CE3-CA 3.49Å; W632-P640 HydrophobicContact CE3-CB 3.73Å; W632-P640 HydrophobicContact CG-CB 4.09Å; W632-P640 HydrophobicContact CZ3-CB 4.33Å; W632-Y645 AromaticContact CH2-CE2 3.91Å; W632-Y645 HydrophobicContact CH2-CE2 3.91Å; W632-Y645 HydrophobicContact CZ2-CE2 4.35Å
633	V	66.4	Low	68.7	Low	43 Å²	43	61.3 Å²	61.3	26%	0.261	29%	0.29	S	S	.	.	H	α-helix	trans	-67.3	-44.6	176.4	174.8	0	0	0	0	111.4	I173 N629 Q631 N637	I173-V633 HydrophobicContact CB-CG1 4.16Å; I173-V633 VanDerWaalsContact CD1-CA 3.47Å; I173-V633 HydrophobicContact CD1-CB 3.75Å; I173-V633 HydrophobicContact CD1-CG1 3.68Å; I173-V633 HydrophobicContact CD1-CG2 3.69Å; I173-V633 HydrophobicContact CG1-CB 4.05Å; I173-V633 HydrophobicContact CG1-CG1 3.69Å; I173-V633 HydrophobicContact CG1-CG2 3.67Å; I173-V633 HydrophobicContact CG2-CG1 3.88Å; N629-V633 WeakPolarHBondContact O-CG2 3.26Å; Q631-V633 PolarHBondContact O-N 3.29Å; V633-N637 WeakPolarHBondContact O-CA 3.43Å; V633-N637 PolarHBondContact O-N 3.18Å
634	I	61.8	Low	69.8	Low	76 Å²	76	55.9 Å²	55.9	39%	0.39	27%	0.268	S	S	.	.	H	α-helix	trans	-69	-61.2	177	-69.8	171.6	0	0	0	108.1	N59 D60 K630 Q631	N59-I634 WeakPolarHBondContact O-CG2 3.41Å; D60-I634 VanDerWaalsContact CA-O 3.3Å; D60-I634 WeakPolarHBondContact CA-O 3.43Å; D60-I634 WeakPolarHBondContact CB-O 3.46Å; K630-I634 WeakPolarHBondContact O-CD1 3.43Å; K630-I634 VanDerWaalsContact O-CG1 3.27Å; K630-I634 WeakPolarHBondContact O-CG1 3.18Å; K630-I634 PolarHBondContact O-N 2.8Å; Q631-I634 CarbonylContact O-C 3.57Å; Q631-I634 PolarHBondContact O-N 2.58Å; Q631-I634 VanDerWaalsContact O-N 3.13Å
635	D	60	Low	70.7	Confident	30 Å²	30	53.2 Å²	53.2	16%	0.16	25%	0.251	C	S	.	.	H	α-helix	trans	-78.7	-31.2	-164.7	-59.5	15.7	0	0	0	115.4	D60 Q631	D60-D635 WeakPolarHBondContact O-CA 3.1Å; Q631-D635 WeakPolarHBondContact CG-OD2 3.3Å; Q631-D635 PolarHBondContact NE2-OD1 3.24Å; Q631-D635 PolarHBondContact NE2-OD2 3.21Å; Q631-D635 WeakPolarHBondContact O-CB 3.43Å; Q631-D635 VanDerWaalsContact O-CG 3.32Å; Q631-D635 PolarHBondContact O-N 2.96Å
636	L	68	Low	71.7	Confident	17 Å²	17	51.5 Å²	51.5	9%	0.089	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-11.7	-170.5	-57	176.5	0	0	0	112.7	P231 L619 W632 L638	P231-L636 HydrophobicContact CG-CD2 4.42Å; L619-L636 HydrophobicContact CD1-CD1 3.67Å; L619-L636 HydrophobicContact CD1-CD2 4.22Å; W632-L636 HydrophobicContact CD2-CD1 3.86Å; W632-L636 HydrophobicContact CE3-CD1 4.12Å; W632-L636 HydrophobicContact CG-CD1 4.05Å; W632-L636 CarbonylContact O-C 3.55Å; W632-L636 WeakPolarHBondContact O-CA 3.48Å; W632-L636 WeakPolarHBondContact O-CB 2.97Å; W632-L636 PolarHBondContact O-N 3.22Å; L636-L638 HydrophobicContact CB-CB 4.1Å; L636-L638 HydrophobicContact CB-CD1 4.13Å; L636-L638 HydrophobicContact CB-CG 3.97Å; L636-L638 PolarHBondContact O-N 3.38Å
637	N	68.1	Low	72.6	Confident	25 Å²	25	51 Å²	51	13%	0.134	25%	0.245	C	C	.	.	S	Bend	trans	51.8	35.9	-165.1	-172.5	39	0	0	0	112.2	H174 W632 V633	H174-N637 PolarHBondContact CD2-OD1 2.9Å; W632-N637 PolarHBondContact O-N 2.89Å; V633-N637 WeakPolarHBondContact O-CA 3.43Å; V633-N637 PolarHBondContact O-N 3.18Å
638	L	72.8	Confident	73.7	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-122.2	137.3	179.3	-64.4	-179.2	0	0	0	111.9	I173 P231 W632 L636 P640	I173-L638 VanDerWaalsContact CD1-N 3.27Å; I173-L638 WeakPolarHBondContact CD1-O 3.29Å; P231-L638 HydrophobicContact CG-CD1 4Å; W632-L638 CarbonylContact C-O 3.51Å; W632-L638 WeakPolarHBondContact CB-O 3.39Å; W632-L638 HydrophobicContact CE3-CB 4.32Å; W632-L638 PolarHBondContact O-N 3.01Å; L636-L638 HydrophobicContact CB-CB 4.1Å; L636-L638 HydrophobicContact CB-CD1 4.13Å; L636-L638 HydrophobicContact CB-CG 3.97Å; L636-L638 PolarHBondContact O-N 3.38Å; L638-P640 WeakPolarHBondContact O-CD 3.35Å
639	K	73.1	Confident	74.8	Confident	88 Å²	88	48.4 Å²	48.4	38%	0.383	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-71.7	123.5	165	-170.9	176.2	178.5	177.3	0	108.2	E171	E171-K639 HydrophobicContact CB-CD 4.38Å; E171-K639 VanDerWaalsContact O-CB 3.27Å; E171-K639 WeakPolarHBondContact O-CB 3Å; E171-K639 PolarHBondContact O-N 2.9Å; E171-K639 IonicContact OE2-NZ 3.75Å; E171-K639 PolarHBondContact OE2-NZ 3.16Å
640	P	71.8	Confident	75.8	Confident	11 Å²	11	47 Å²	47	7%	0.071	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-64.1	162.8	177.7	28.7	-36.3	0	0	0	111.7	I628 N629 W632 L638	I628-P640 HydrophobicContact CG2-CB 3.64Å; I628-P640 HydrophobicContact CG2-CG 4.12Å; N629-P640 HydrophobicContact CB-CG 4.48Å; N629-P640 WeakPolarHBondContact OD1-CG 3.35Å; W632-P640 HydrophobicContact CB-CB 4.26Å; W632-P640 HydrophobicContact CB-CG 4.42Å; W632-P640 HydrophobicContact CD2-CB 3.83Å; W632-P640 VanDerWaalsContact CE3-CA 3.49Å; W632-P640 HydrophobicContact CE3-CB 3.73Å; W632-P640 HydrophobicContact CG-CB 4.09Å; W632-P640 HydrophobicContact CZ3-CB 4.33Å; L638-P640 WeakPolarHBondContact O-CD 3.35Å
641	P	75.6	Confident	76.8	Confident	17 Å²	17	45.6 Å²	45.6	11%	0.11	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-59.8	156.3	175.1	25.6	-30.4	0	0	0	110.7	F170 Y643 Y645	F170-P641 HydrophobicContact CE1-CB 4.41Å; P641-Y643 HydrophobicContact CB-CD1 4.36Å; P641-Y643 HydrophobicContact CB-CE1 4.24Å; P641-Y643 HydrophobicContact CB-CE2 4.43Å; P641-Y643 WeakPolarHBondContact CG-O 3.39Å; P641-Y643 PolarHBondContact O-N 3.36Å; P641-Y645 HydrophobicContact CG-CD2 4.34Å; P641-Y645 HydrophobicContact CG-CE2 3.65Å
642	R	73.3	Confident	78.1	Confident	134 Å²	134	43.1 Å²	43.1	51%	0.506	21%	0.208	S	C	.	.	S	Bend	trans	-68.5	2.1	178.5	-59.1	-175.2	-168.3	164.2	7.3	113.7	R167	R167-R642 PolarHBondContact O-NH2 3.2Å
643	Y	79.2	Confident	79.1	Confident	32 Å²	32	42.6 Å²	42.6	13%	0.125	21%	0.206	C	C	.	.	S	Bend	trans	-141.5	157.5	-176.5	59.8	-99.1	0	0	0	109.7	N595 D596 P641 Y645	N595-Y643 HydrophobicContact CB-CD2 4.05Å; N595-Y643 HydrophobicContact CB-CG 4.25Å; N595-Y643 WeakPolarHBondContact O-CB 3.26Å; D596-Y643 HydrophobicContact CB-CD1 4.14Å; D596-Y643 HydrophobicContact CB-CE1 3.77Å; P641-Y643 HydrophobicContact CB-CD1 4.36Å; P641-Y643 HydrophobicContact CB-CE1 4.24Å; P641-Y643 HydrophobicContact CB-CE2 4.43Å; P641-Y643 WeakPolarHBondContact CG-O 3.39Å; P641-Y643 PolarHBondContact O-N 3.36Å; Y643-Y645 HydrophobicContact CE2-CD1 4.04Å; Y643-Y645 AromaticContact CE2-CE1 3.87Å; Y643-Y645 HydrophobicContact CE2-CE1 3.87Å
644	Q	81.9	Confident	80.2	Confident	66 Å²	66	43.1 Å²	43.1	31%	0.308	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-84.8	138.4	176.6	-172.1	172.9	10.1	0	0	110.6	N595 K623 I628	N595-Q644 PolarHBondContact ND2-O 3.48Å; K623-Q644 PolarHBondContact O-NE2 3.48Å; K623-Q644 VanDerWaalsContact O-NE2 3.1Å; I628-Q644 HydrophobicContact CD1-CG 4.29Å
645	Y	86.3	Confident	81.7	Confident	7 Å²	7	42.1 Å²	42.1	3%	0.027	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-70.9	142.5	171.7	-67.5	-63.9	0	0	0	111.3	P611 P617 Q620 W632 P641 Y643 D649	P611-Y645 WeakPolarHBondContact CB-OH 3.23Å; P617-Y645 HydrophobicContact CB-CD1 4.2Å; P617-Y645 HydrophobicContact CB-CD2 4.16Å; P617-Y645 HydrophobicContact CB-CG 3.95Å; P617-Y645 HydrophobicContact CG-CD1 3.93Å; P617-Y645 HydrophobicContact CG-CD2 4.28Å; P617-Y645 HydrophobicContact CG-CE1 3.93Å; P617-Y645 HydrophobicContact CG-CE2 4.25Å; P617-Y645 HydrophobicContact CG-CG 4.11Å; Q620-Y645 PolarHBondContact NE2-O 3.1Å; Q620-Y645 VanDerWaalsContact OE1-CB 3.31Å; Q620-Y645 PolarHBondContact OE1-O 2.86Å; W632-Y645 AromaticContact CH2-CE2 3.91Å; W632-Y645 HydrophobicContact CH2-CE2 3.91Å; W632-Y645 HydrophobicContact CZ2-CE2 4.35Å; P641-Y645 HydrophobicContact CG-CD2 4.34Å; P641-Y645 HydrophobicContact CG-CE2 3.65Å; Y643-Y645 HydrophobicContact CE2-CD1 4.04Å; Y643-Y645 AromaticContact CE2-CE1 3.87Å; Y643-Y645 HydrophobicContact CE2-CE1 3.87Å; Y645-D649 HydrophobicContact CD1-CB 3.73Å; Y645-D649 HydrophobicContact CG-CB 4.22Å
646	T	89.3	Confident	83.3	Confident	31 Å²	31	41 Å²	41	19%	0.19	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-93.3	169.9	176.8	66.5	0	0	0	0	111.8	I594 N595 L648 D649 I650	I594-T646 HydrophobicContact CG2-CG2 3.68Å; N595-T646 WeakPolarHBondContact ND2-CG2 3.48Å; T646-L648 PolarHBondContact O-N 2.93Å; T646-L648 PolarHBondContact OG1-N 2.91Å; T646-D649 WeakPolarHBondContact CB-OD2 3.12Å; T646-D649 PolarHBondContact N-OD2 2.68Å; T646-D649 WeakPolarHBondContact O-CB 3.03Å; T646-D649 PolarHBondContact O-N 3.28Å; T646-D649 VanDerWaalsContact OG1-CG 3.28Å; T646-D649 PolarHBondContact OG1-N 2.87Å; T646-D649 PolarHBondContact OG1-OD2 3.18Å; T646-I650 PolarHBondContact O-N 3.02Å; T646-I650 VanDerWaalsContact O-N 3.16Å
647	N	88.3	Confident	84.5	Confident	127 Å²	127	40.6 Å²	40.6	68%	0.679	20%	0.195	S	C	*	.	H	α-helix	trans	-60.7	-28	171.8	-71.5	-23.2	0	0	0	113	K651	N647-K651 WeakPolarHBondContact O-CG 3.16Å; N647-K651 PolarHBondContact O-N 2.76Å; N647-K651 VanDerWaalsContact O-N 3.13Å
648	L	90.6	Very high	85.7	Confident	34 Å²	34	41 Å²	41	18%	0.178	20%	0.2	C	C	.	.	H	α-helix	trans	-69.9	-38.4	173.5	-68.8	173.3	0	0	0	111.2	Y591 T646 I650 K651 M652 L694 D696	Y591-L648 VanDerWaalsContact OH-C 3.28Å; Y591-L648 WeakPolarHBondContact OH-CB 3.26Å; T646-L648 PolarHBondContact O-N 2.93Å; T646-L648 PolarHBondContact OG1-N 2.91Å; L648-I650 VanDerWaalsContact C-N 3.31Å; L648-I650 PolarHBondContact O-N 3.22Å; L648-K651 PolarHBondContact O-N 3.44Å; L648-M652 WeakPolarHBondContact O-CB 3.08Å; L648-M652 PolarHBondContact O-N 2.72Å; L648-L694 HydrophobicContact CD2-CD2 4.27Å; L648-L694 HydrophobicContact CD2-CG 4.32Å; L648-L694 WeakPolarHBondContact O-CD2 3.33Å; L648-D696 HydrophobicContact CD1-CB 4Å; L648-D696 HydrophobicContact CD2-CB 4.26Å
649	D	91.8	Very high	86.8	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.4	-41.6	177.5	-61	-50.2	0	0	0	111	Y591 S593 Y612 P617 Y645 T646 M652 S653	Y591-D649 WeakPolarHBondContact CE1-OD1 3.26Å; Y591-D649 VanDerWaalsContact CZ-OD1 3.25Å; Y591-D649 WeakPolarHBondContact OH-CA 3.15Å; Y591-D649 PolarHBondContact OH-N 2.86Å; Y591-D649 VanDerWaalsContact OH-N 3.12Å; Y591-D649 PolarHBondContact OH-OD1 2.63Å; S593-D649 WeakPolarHBondContact CA-OD1 3.42Å; S593-D649 VanDerWaalsContact CB-OD1 3.26Å; S593-D649 WeakPolarHBondContact CB-OD1 3.39Å; S593-D649 PolarHBondContact OG-OD1 3.01Å; S593-D649 PolarHBondContact OG-OD2 3.47Å; Y612-D649 HydrophobicContact CE1-CB 4.06Å; Y612-D649 PolarHBondContact OH-OD1 3.31Å; P617-D649 HydrophobicContact CB-CB 4.16Å; P617-D649 HydrophobicContact CG-CB 4.36Å; Y645-D649 HydrophobicContact CD1-CB 3.73Å; Y645-D649 HydrophobicContact CG-CB 4.22Å; T646-D649 WeakPolarHBondContact CB-OD2 3.12Å; T646-D649 PolarHBondContact N-OD2 2.68Å; T646-D649 WeakPolarHBondContact O-CB 3.03Å; T646-D649 PolarHBondContact O-N 3.28Å; T646-D649 VanDerWaalsContact OG1-CG 3.28Å; T646-D649 PolarHBondContact OG1-N 2.87Å; T646-D649 PolarHBondContact OG1-OD2 3.18Å; D649-M652 PolarHBondContact O-N 3.3Å; D649-S653 WeakPolarHBondContact O-CB 3.2Å; D649-S653 PolarHBondContact O-N 2.76Å
650	I	89.4	Confident	87.9	Confident	47 Å²	47	37.3 Å²	37.3	24%	0.241	18%	0.184	C	C	.	.	H	α-helix	trans	-60.3	-46.9	174.2	-67.2	172.1	0	0	0	111.3	P617 L618 T646 L648 S653 S654	P617-I650 HydrophobicContact CB-CG1 4.27Å; P617-I650 WeakPolarHBondContact O-CG1 3.34Å; L618-I650 HydrophobicContact CD2-CG2 3.71Å; T646-I650 PolarHBondContact O-N 3.02Å; T646-I650 VanDerWaalsContact O-N 3.16Å; L648-I650 VanDerWaalsContact C-N 3.31Å; L648-I650 PolarHBondContact O-N 3.22Å; I650-S653 PolarHBondContact O-N 2.92Å; I650-S654 PolarHBondContact O-N 3.36Å; I650-S654 PolarHBondContact O-OG 3.4Å
651	K	90.4	Very high	89	Confident	110 Å²	110	37.1 Å²	37.1	48%	0.478	18%	0.183	S	C	.	.	H	α-helix	trans	-63.4	-44.2	177	-73.8	174.8	-177.6	177.5	0	111.6	N647 L648 S653 S654 Y655 L694	N647-K651 WeakPolarHBondContact O-CG 3.16Å; N647-K651 PolarHBondContact O-N 2.76Å; N647-K651 VanDerWaalsContact O-N 3.13Å; L648-K651 PolarHBondContact O-N 3.44Å; K651-S653 VanDerWaalsContact C-N 3.32Å; K651-S653 PolarHBondContact O-N 3.37Å; K651-S654 WeakPolarHBondContact O-CB 3.24Å; K651-S654 PolarHBondContact O-N 2.93Å; K651-Y655 HydrophobicContact CB-CE2 4.48Å; K651-Y655 WeakPolarHBondContact O-CD2 3.42Å; K651-Y655 PolarHBondContact O-N 3.05Å; K651-L694 HydrophobicContact CB-CD2 3.61Å
652	M	92.7	Very high	90	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.9	-42.1	178	-171.9	64.3	-130.1	0	0	111.3	F589 Y591 Y612 L648 D649 Y655 M656 L692 L694	F589-M652 HydrophobicContact CE2-CE 4.07Å; F589-M652 HydrophobicContact CE2-CG 4.46Å; Y591-M652 HydrophobicContact CD1-CB 4.06Å; Y591-M652 HydrophobicContact CD1-CG 3.59Å; Y591-M652 HydrophobicContact CD2-CG 4.3Å; Y591-M652 HydrophobicContact CD2-SD 4.46Å; Y591-M652 HydrophobicContact CE1-CB 3.88Å; Y591-M652 HydrophobicContact CE1-CG 3.96Å; Y591-M652 HydrophobicContact CE2-CB 4.44Å; Y591-M652 HydrophobicContact CG-CB 4.41Å; Y591-M652 HydrophobicContact CG-CG 3.76Å; Y591-M652 HydrophobicContact CG-SD 4.18Å; Y612-M652 HydrophobicContact CD1-CB 4.03Å; Y612-M652 HydrophobicContact CD1-CG 4.02Å; Y612-M652 HydrophobicContact CE1-CB 4.21Å; Y612-M652 HydrophobicContact CE1-CG 4.36Å; L648-M652 WeakPolarHBondContact O-CB 3.08Å; L648-M652 PolarHBondContact O-N 2.72Å; D649-M652 PolarHBondContact O-N 3.3Å; M652-Y655 PolarHBondContact O-N 2.91Å; M652-M656 PolarHBondContact O-N 2.87Å; M652-L692 HydrophobicContact CE-CB 4.08Å; M652-L692 HydrophobicContact CE-CD2 4.25Å; M652-L694 HydrophobicContact CB-CB 4.43Å; M652-L694 HydrophobicContact CB-CD2 4.08Å; M652-L694 HydrophobicContact SD-CB 3.78Å
653	S	90.6	Very high	91.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.5	-42.6	174.9	-174.3	0	0	0	0	111.9	Y612 G615 D649 I650 K651 Y655 M656 L657	Y612-S653 PolarHBondContact O-OG 3.49Å; Y612-S653 VanDerWaalsContact O-OG 3.05Å; G615-S653 VanDerWaalsContact CA-OG 3.31Å; G615-S653 WeakPolarHBondContact CA-OG 3.3Å; D649-S653 WeakPolarHBondContact O-CB 3.2Å; D649-S653 PolarHBondContact O-N 2.76Å; I650-S653 PolarHBondContact O-N 2.92Å; K651-S653 VanDerWaalsContact C-N 3.32Å; K651-S653 PolarHBondContact O-N 3.37Å; S653-Y655 VanDerWaalsContact C-N 3.31Å; S653-Y655 PolarHBondContact O-N 3.05Å; S653-M656 PolarHBondContact O-N 2.75Å; S653-L657 WeakPolarHBondContact O-CB 3.45Å; S653-L657 VanDerWaalsContact O-CG 3.27Å; S653-L657 WeakPolarHBondContact O-CG 3.31Å; S653-L657 PolarHBondContact O-N 2.96Å
654	S	90.1	Very high	91.9	Very high	53 Å²	53	30.3 Å²	30.3	37%	0.371	16%	0.158	S	C	.	.	H	α-helix	trans	-59.1	-41.3	175.8	-56.8	0	0	0	0	112.2	I650 K651 S658	I650-S654 PolarHBondContact O-N 3.36Å; I650-S654 PolarHBondContact O-OG 3.4Å; K651-S654 WeakPolarHBondContact O-CB 3.24Å; K651-S654 PolarHBondContact O-N 2.93Å; S654-S658 WeakPolarHBondContact O-CB 3.44Å; S654-S658 PolarHBondContact O-N 2.8Å
655	Y	92.5	Very high	92.5	Very high	56 Å²	56	31.4 Å²	31.4	22%	0.22	16%	0.162	C	C	.	.	H	α-helix	trans	-65.6	-46.2	174.8	-69.1	-54.1	0	0	0	112.2	K651 M652 S653 L657 S658 L659 L674 R675 L694	K651-Y655 HydrophobicContact CB-CE2 4.48Å; K651-Y655 WeakPolarHBondContact O-CD2 3.42Å; K651-Y655 PolarHBondContact O-N 3.05Å; M652-Y655 PolarHBondContact O-N 2.91Å; S653-Y655 VanDerWaalsContact C-N 3.31Å; S653-Y655 PolarHBondContact O-N 3.05Å; Y655-L657 VanDerWaalsContact C-N 3.35Å; Y655-L657 PolarHBondContact O-N 3.25Å; Y655-S658 PolarHBondContact O-N 3.5Å; Y655-L659 VanDerWaalsContact O-CG 3.31Å; Y655-L659 WeakPolarHBondContact O-CG 3.34Å; Y655-L659 PolarHBondContact O-N 3.47Å; Y655-L674 HydrophobicContact CD1-CD1 3.85Å; Y655-L674 HydrophobicContact CD1-CD2 3.86Å; Y655-L674 HydrophobicContact CD1-CG 3.85Å; Y655-L674 HydrophobicContact CE1-CD1 4.05Å; Y655-L674 HydrophobicContact CE1-CG 4.23Å; Y655-R675 HydrophobicContact CE1-CG 3.71Å; Y655-L694 HydrophobicContact CD2-CD2 4.43Å; Y655-L694 HydrophobicContact CE2-CD1 4.2Å; Y655-L694 HydrophobicContact CE2-CD2 4.27Å
656	M	94.5	Very high	92.9	Very high	5 Å²	5	33.7 Å²	33.7	3%	0.025	18%	0.179	C	C	.	.	H	α-helix	trans	-58.8	-47.1	178.1	-175.2	63.9	81.3	0	0	111.4	F589 L613 M652 S653 S658 L659 I660 L692	F589-M656 HydrophobicContact CD2-CE 3.62Å; F589-M656 HydrophobicContact CE2-CE 3.62Å; L613-M656 HydrophobicContact CB-CG 4.33Å; M652-M656 PolarHBondContact O-N 2.87Å; S653-M656 PolarHBondContact O-N 2.75Å; M656-S658 VanDerWaalsContact C-N 3.33Å; M656-S658 PolarHBondContact O-N 3.4Å; M656-L659 PolarHBondContact O-N 3.07Å; M656-I660 HydrophobicContact CG-CG1 4.39Å; M656-I660 VanDerWaalsContact O-CG1 3.24Å; M656-I660 WeakPolarHBondContact O-CG1 3.44Å; M656-I660 PolarHBondContact O-N 3.02Å; M656-I660 HydrophobicContact SD-CG1 4.13Å; M656-L692 HydrophobicContact CE-CD1 3.96Å
657	L	92.9	Very high	93	Very high	9 Å²	9	33.8 Å²	33.8	5%	0.047	18%	0.181	C	C	.	.	H	α-helix	trans	-59.9	-41.5	177	-74	172.4	0	0	0	112.5	V234 L235 L238 L613 L618 S653 Y655 S661	V234-L657 HydrophobicContact CG1-CD1 3.75Å; V234-L657 HydrophobicContact CG1-CD2 4.41Å; L235-L657 HydrophobicContact CD2-CD2 3.45Å; L235-L657 VanDerWaalsContact CD2-CD2 3.45Å; L235-L657 HydrophobicContact CG-CD2 3.77Å; L238-L657 HydrophobicContact CD1-CB 3.88Å; L238-L657 HydrophobicContact CD1-CD2 4.08Å; L238-L657 HydrophobicContact CD1-CG 4.43Å; L613-L657 WeakPolarHBondContact O-CD2 3.46Å; L618-L657 HydrophobicContact CD1-CD1 3.32Å; S653-L657 WeakPolarHBondContact O-CB 3.45Å; S653-L657 VanDerWaalsContact O-CG 3.27Å; S653-L657 WeakPolarHBondContact O-CG 3.31Å; S653-L657 PolarHBondContact O-N 2.96Å; Y655-L657 VanDerWaalsContact C-N 3.35Å; Y655-L657 PolarHBondContact O-N 3.25Å; L657-S661 WeakPolarHBondContact O-CB 3.25Å; L657-S661 PolarHBondContact O-N 3.29Å; L657-S661 PolarHBondContact O-OG 3Å
658	S	93	Very high	93.2	Very high	35 Å²	35	30.1 Å²	30.1	25%	0.245	16%	0.161	C	C	.	.	H	α-helix	trans	-61.7	-49.6	176.1	-176.3	0	0	0	0	111.4	S654 Y655 M656 I660 S661 N662	S654-S658 WeakPolarHBondContact O-CB 3.44Å; S654-S658 PolarHBondContact O-N 2.8Å; Y655-S658 PolarHBondContact O-N 3.5Å; M656-S658 VanDerWaalsContact C-N 3.33Å; M656-S658 PolarHBondContact O-N 3.4Å; S658-I660 PolarHBondContact O-N 3.27Å; S658-S661 PolarHBondContact O-OG 3.4Å; S658-N662 WeakPolarHBondContact O-CB 3.35Å; S658-N662 PolarHBondContact O-N 3.14Å; S658-N662 PolarHBondContact O-ND2 3.48Å; S658-N662 PolarHBondContact OG-ND2 3.43Å
659	L	95.5	Very high	93.4	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.01	15%	0.153	C	C	.	.	H	α-helix	trans	-58.4	-48.2	179.7	-68	173	0	0	0	112.1	Y655 M656 F663 A669 T670 L674 W679 L690 L692 F718	Y655-L659 VanDerWaalsContact O-CG 3.31Å; Y655-L659 WeakPolarHBondContact O-CG 3.34Å; Y655-L659 PolarHBondContact O-N 3.47Å; M656-L659 PolarHBondContact O-N 3.07Å; L659-F663 WeakPolarHBondContact O-CB 3.39Å; L659-F663 PolarHBondContact O-N 3.17Å; L659-A669 HydrophobicContact CB-CB 4.33Å; L659-A669 HydrophobicContact CD2-CB 4.07Å; L659-A669 WeakPolarHBondContact O-CA 2.98Å; L659-A669 WeakPolarHBondContact O-CB 3.47Å; L659-T670 HydrophobicContact CD2-CG2 3.66Å; L659-L674 HydrophobicContact CD2-CD2 3.68Å; L659-L674 HydrophobicContact CG-CD2 3.85Å; L659-W679 HydrophobicContact CB-CZ3 4.23Å; L659-W679 HydrophobicContact CD1-CE3 4.47Å; L659-W679 HydrophobicContact CD1-CZ3 3.96Å; L659-W679 HydrophobicContact CD2-CE3 3.8Å; L659-W679 HydrophobicContact CD2-CZ3 3.96Å; L659-W679 HydrophobicContact CG-CZ3 4.27Å; L659-L690 HydrophobicContact CD1-CD2 4.06Å; L659-L692 HydrophobicContact CD1-CD2 4.02Å; L659-F718 HydrophobicContact CD1-CE2 4.43Å; L659-F718 HydrophobicContact CD1-CZ 4.24Å
660	I	96.2	Very high	93.5	Very high	8 Å²	8	28.6 Å²	28.6	4%	0.041	15%	0.154	C	C	.	.	H	α-helix	trans	-70.9	-44.2	-175.8	-63	-70.6	0	0	0	111.2	I214 L235 I312 I342 L613 M656 S658 F663 A664	I214-I660 HydrophobicContact CD1-CG2 3.8Å; L235-I660 HydrophobicContact CD2-CG2 4.42Å; I312-I660 HydrophobicContact CD1-CG2 4.16Å; I342-I660 HydrophobicContact CD1-CD1 3.48Å; I342-I660 VanDerWaalsContact CD1-CD1 3.48Å; I342-I660 HydrophobicContact CD1-CG2 4.47Å; L613-I660 HydrophobicContact CD1-CB 4.15Å; L613-I660 HydrophobicContact CD1-CD1 3.94Å; L613-I660 HydrophobicContact CD1-CG1 3.57Å; L613-I660 HydrophobicContact CD1-CG2 3.86Å; M656-I660 HydrophobicContact CG-CG1 4.39Å; M656-I660 VanDerWaalsContact O-CG1 3.24Å; M656-I660 WeakPolarHBondContact O-CG1 3.44Å; M656-I660 PolarHBondContact O-N 3.02Å; M656-I660 HydrophobicContact SD-CG1 4.13Å; S658-I660 PolarHBondContact O-N 3.27Å; I660-F663 PolarHBondContact O-N 3.06Å; I660-A664 WeakPolarHBondContact O-CB 3.28Å; I660-A664 PolarHBondContact O-N 3.36Å
661	S	95.3	Very high	93.5	Very high	7 Å²	7	29.5 Å²	29.5	5%	0.049	16%	0.162	C	C	.	.	H	α-helix	trans	-65.5	-40.4	178.5	63.6	0	0	0	0	112.2	L657 S658 A664 K665	L657-S661 WeakPolarHBondContact O-CB 3.25Å; L657-S661 PolarHBondContact O-N 3.29Å; L657-S661 PolarHBondContact O-OG 3Å; S658-S661 PolarHBondContact O-OG 3.4Å; S661-A664 PolarHBondContact O-N 2.9Å; S661-K665 WeakPolarHBondContact O-CB 3.31Å; S661-K665 WeakPolarHBondContact O-CD 3.5Å; S661-K665 VanDerWaalsContact O-CG 3.22Å; S661-K665 WeakPolarHBondContact O-CG 3.49Å; S661-K665 PolarHBondContact O-N 3.41Å
662	N	95.9	Very high	93.5	Very high	40 Å²	40	31.4 Å²	31.4	21%	0.214	17%	0.173	C	C	.	.	H	α-helix	trans	-63.2	-43.7	175.5	-73.8	-18.1	0	0	0	111.8	S658 K665 S666 N668 A669 P671	S658-N662 WeakPolarHBondContact O-CB 3.35Å; S658-N662 PolarHBondContact O-N 3.14Å; S658-N662 PolarHBondContact O-ND2 3.48Å; S658-N662 PolarHBondContact OG-ND2 3.43Å; N662-K665 PolarHBondContact O-N 3.32Å; N662-S666 PolarHBondContact O-N 3.49Å; N662-S666 PolarHBondContact O-OG 2.94Å; N662-N668 CarbonylContact C-O 3.33Å; N662-N668 WeakPolarHBondContact CB-O 3.2Å; N662-A669 VanDerWaalsContact CB-O 3.28Å; N662-A669 WeakPolarHBondContact CB-O 3.47Å; N662-A669 PolarHBondContact ND2-O 3.33Å; N662-A669 VanDerWaalsContact ND2-O 3.13Å; N662-P671 HydrophobicContact CB-CG 4.26Å
663	F	97	Very high	93.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.2	-44.1	177	-178	-105.6	0	0	0	111.7	T310 R340 I342 P439 I441 L659 I660 K665 S666 S667 N668 A669	T310-F663 HydrophobicContact CG2-CD1 4.12Å; T310-F663 HydrophobicContact CG2-CE1 4.07Å; R340-F663 HydrophobicContact CB-CE1 3.73Å; R340-F663 HydrophobicContact CB-CZ 3.98Å; R340-F663 VanDerWaalsContact CD-O 3.22Å; R340-F663 WeakPolarHBondContact CD-O 3.34Å; R340-F663 HydrophobicContact CG-CE1 4.45Å; R340-F663 HydrophobicContact CG-CZ 4.47Å; R340-F663 PolarHBondContact NE-O 2.79Å; I342-F663 HydrophobicContact CD1-CD1 3.78Å; I342-F663 HydrophobicContact CD1-CE1 4.14Å; I342-F663 HydrophobicContact CG1-CD1 3.91Å; I342-F663 HydrophobicContact CG1-CE1 3.72Å; P439-F663 HydrophobicContact CB-CE2 3.9Å; P439-F663 HydrophobicContact CB-CZ 3.88Å; I441-F663 HydrophobicContact CD1-CB 3.92Å; I441-F663 HydrophobicContact CD1-CD1 3.76Å; I441-F663 HydrophobicContact CD1-CD2 3.54Å; I441-F663 HydrophobicContact CD1-CE1 4.07Å; I441-F663 HydrophobicContact CD1-CE2 3.9Å; I441-F663 HydrophobicContact CD1-CG 3.45Å; I441-F663 VanDerWaalsContact CD1-CG 3.45Å; I441-F663 HydrophobicContact CD1-CZ 4.14Å; I441-F663 HydrophobicContact CG1-CD1 4.33Å; I441-F663 HydrophobicContact CG1-CD2 3.94Å; I441-F663 HydrophobicContact CG1-CE1 4.13Å; I441-F663 HydrophobicContact CG1-CE2 3.76Å; I441-F663 HydrophobicContact CG1-CG 4.22Å; I441-F663 HydrophobicContact CG1-CZ 3.85Å; L659-F663 WeakPolarHBondContact O-CB 3.39Å; L659-F663 PolarHBondContact O-N 3.17Å; I660-F663 PolarHBondContact O-N 3.06Å; F663-K665 VanDerWaalsContact C-N 3.28Å; F663-K665 PolarHBondContact O-N 3.34Å; F663-S666 PolarHBondContact O-N 3.32Å; F663-S667 WeakPolarHBondContact CD2-O 3.46Å; F663-S667 WeakPolarHBondContact CE2-O 3.1Å; F663-S667 VanDerWaalsContact O-CA 3.32Å; F663-S667 WeakPolarHBondContact O-CA 3.09Å; F663-S667 PolarHBondContact O-N 2.91Å; F663-N668 PolarHBondContact N-O 2.9Å; F663-A669 HydrophobicContact CB-CB 4.21Å
664	A	96.4	Very high	93.1	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.5	-36.5	176.6	0	0	0	0	0	112.6	I214 L240 T310 R340 I660 S661	I214-A664 HydrophobicContact CD1-CB 3.97Å; I214-A664 HydrophobicContact CG1-CB 3.88Å; L240-A664 HydrophobicContact CD2-CB 4.09Å; T310-A664 WeakPolarHBondContact OG1-CA 3.39Å; R340-A664 PolarHBondContact NH1-O 3.5Å; I660-A664 WeakPolarHBondContact O-CB 3.28Å; I660-A664 PolarHBondContact O-N 3.36Å; S661-A664 PolarHBondContact O-N 2.9Å
665	K	94.6	Very high	92.9	Very high	88 Å²	88	37.5 Å²	37.5	38%	0.383	20%	0.199	S	C	.	.	H	α-helix	trans	-78.3	-37.3	179.7	-72.4	167.2	-178.7	180	0	114.1	P212 L238 L240 Q308 S661 N662 F663	P212-K665 HydrophobicContact CG-CB 4.44Å; P212-K665 HydrophobicContact CG-CG 3.9Å; L238-K665 VanDerWaalsContact O-CE 3.27Å; L238-K665 WeakPolarHBondContact O-CE 2.8Å; L238-K665 PolarHBondContact O-NZ 3.3Å; L240-K665 HydrophobicContact CD2-CG 4.3Å; Q308-K665 PolarHBondContact OE1-O 2.92Å; S661-K665 WeakPolarHBondContact O-CB 3.31Å; S661-K665 WeakPolarHBondContact O-CD 3.5Å; S661-K665 VanDerWaalsContact O-CG 3.22Å; S661-K665 WeakPolarHBondContact O-CG 3.49Å; S661-K665 PolarHBondContact O-N 3.41Å; N662-K665 PolarHBondContact O-N 3.32Å; F663-K665 VanDerWaalsContact C-N 3.28Å; F663-K665 PolarHBondContact O-N 3.34Å
666	S	93.5	Very high	92.5	Very high	55 Å²	55	42.5 Å²	42.5	39%	0.385	23%	0.229	S	C	.	.	H	α-helix	trans	-132.1	-1.3	-163.8	72.4	0	0	0	0	115.5	N662 F663 N668	N662-S666 PolarHBondContact O-N 3.49Å; N662-S666 PolarHBondContact O-OG 2.94Å; F663-S666 PolarHBondContact O-N 3.32Å; S666-N668 PolarHBondContact O-N 3Å; S666-N668 PolarHBondContact OG-N 2.93Å; S666-N668 PolarHBondContact OG-O 3.15Å
667	S	93	Very high	92.2	Very high	33 Å²	33	43.3 Å²	43.3	23%	0.231	23%	0.233	C	C	.	.	S	Bend	trans	65.4	1.6	-168.2	-46.6	0	0	0	0	115.2	R340 H583 F663	R340-S667 PolarHBondContact NE-OG 3Å; R340-S667 PolarHBondContact NH2-OG 3.32Å; H583-S667 PolarHBondContact CD2-O 3.34Å; H583-S667 VanDerWaalsContact CD2-O 3.28Å; F663-S667 WeakPolarHBondContact CD2-O 3.46Å; F663-S667 WeakPolarHBondContact CE2-O 3.1Å; F663-S667 VanDerWaalsContact O-CA 3.32Å; F663-S667 WeakPolarHBondContact O-CA 3.09Å; F663-S667 PolarHBondContact O-N 2.91Å
668	N	91.9	Very high	92.2	Very high	50 Å²	50	46.8 Å²	46.8	27%	0.267	26%	0.255	S	S	.	.			trans	-125.3	126.2	175.5	-176.5	-1.4	0	0	0	109.3	N662 F663 S666 T670 P671	N662-N668 CarbonylContact C-O 3.33Å; N662-N668 WeakPolarHBondContact CB-O 3.2Å; F663-N668 PolarHBondContact N-O 2.9Å; S666-N668 PolarHBondContact O-N 3Å; S666-N668 PolarHBondContact OG-N 2.93Å; S666-N668 PolarHBondContact OG-O 3.15Å; N668-T670 VanDerWaalsContact C-N 3.31Å; N668-T670 PolarHBondContact ND2-O 3.32Å; N668-T670 PolarHBondContact O-N 3.36Å; N668-T670 PolarHBondContact OD1-N 3.25Å; N668-P671 WeakPolarHBondContact O-CD 3.14Å
669	A	94.2	Very high	92.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	-72.9	-23	180	0	0	0	0	0	113.6	I441 L659 N662 F663 W679	I441-A669 HydrophobicContact CD1-CB 4.36Å; L659-A669 HydrophobicContact CB-CB 4.33Å; L659-A669 HydrophobicContact CD2-CB 4.07Å; L659-A669 WeakPolarHBondContact O-CA 2.98Å; L659-A669 WeakPolarHBondContact O-CB 3.47Å; N662-A669 VanDerWaalsContact CB-O 3.28Å; N662-A669 WeakPolarHBondContact CB-O 3.47Å; N662-A669 PolarHBondContact ND2-O 3.33Å; N662-A669 VanDerWaalsContact ND2-O 3.13Å; F663-A669 HydrophobicContact CB-CB 4.21Å; A669-W679 HydrophobicContact CB-CD2 4.42Å; A669-W679 HydrophobicContact CB-CE3 3.43Å; A669-W679 VanDerWaalsContact CB-CE3 3.43Å; A669-W679 HydrophobicContact CB-CZ3 3.7Å
670	T	93.6	Very high	91.9	Very high	3 Å²	3	48 Å²	48	2%	0.018	26%	0.258	C	S	.	.			trans	-131.4	70.1	178.5	57.6	0	0	0	0	109.5	L659 N668 E672 L674 W679	L659-T670 HydrophobicContact CD2-CG2 3.66Å; N668-T670 VanDerWaalsContact C-N 3.31Å; N668-T670 PolarHBondContact ND2-O 3.32Å; N668-T670 PolarHBondContact O-N 3.36Å; N668-T670 PolarHBondContact OD1-N 3.25Å; T670-E672 CarbonylContact C-O 3.33Å; T670-E672 WeakPolarHBondContact CA-O 3.41Å; T670-E672 WeakPolarHBondContact CB-O 3.45Å; T670-L674 HydrophobicContact CG2-CB 4.1Å; T670-W679 HydrophobicContact CG2-CB 3.95Å; T670-W679 WeakPolarHBondContact OG1-CB 3.47Å; T670-W679 PolarHBondContact OG1-N 2.9Å
671	P	90.5	Very high	91.7	Very high	65 Å²	65	48.7 Å²	48.7	42%	0.422	26%	0.263	S	S	.	.	S	Bend	trans	-61.2	-39.1	172.3	26.7	-32.4	0	0	0	110.2	N662 N668	N662-P671 HydrophobicContact CB-CG 4.26Å; N668-P671 WeakPolarHBondContact O-CD 3.14Å
672	E	90.5	Very high	91.7	Very high	150 Å²	150	48.6 Å²	48.6	70%	0.701	26%	0.261	S	S	*	.	S	Bend	trans	-103.9	148	162.7	-65.1	-59.4	148.1	0	0	109.6	T670 L674	T670-E672 CarbonylContact C-O 3.33Å; T670-E672 WeakPolarHBondContact CA-O 3.41Å; T670-E672 WeakPolarHBondContact CB-O 3.45Å; E672-L674 PolarHBondContact O-N 3.23Å
673	P	89.5	Confident	91.4	Very high	68 Å²	68	52.6 Å²	52.6	44%	0.442	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-59	128.8	176.4	-22.1	32.4	0	0	0	111.9	I677	P673-I677 WeakPolarHBondContact CA-O 3.44Å
674	L	84.9	Confident	91	Very high	29 Å²	29	54.8 Å²	54.8	15%	0.152	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-102.9	118.7	175.4	-171.2	65.1	0	0	0	108.6	Y655 L659 T670 E672 N676 I677 F718	Y655-L674 HydrophobicContact CD1-CD1 3.85Å; Y655-L674 HydrophobicContact CD1-CD2 3.86Å; Y655-L674 HydrophobicContact CD1-CG 3.85Å; Y655-L674 HydrophobicContact CE1-CD1 4.05Å; Y655-L674 HydrophobicContact CE1-CG 4.23Å; L659-L674 HydrophobicContact CD2-CD2 3.68Å; L659-L674 HydrophobicContact CG-CD2 3.85Å; T670-L674 HydrophobicContact CG2-CB 4.1Å; E672-L674 PolarHBondContact O-N 3.23Å; L674-N676 VanDerWaalsContact C-N 3.29Å; L674-N676 PolarHBondContact O-N 2.6Å; L674-I677 PolarHBondContact N-O 3.44Å; L674-I677 WeakPolarHBondContact O-CB 3.31Å; L674-I677 PolarHBondContact O-N 3.16Å; L674-F718 HydrophobicContact CD2-CZ 4.26Å
675	R	84.6	Confident	90.7	Very high	85 Å²	85	60.8 Å²	60.8	32%	0.321	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	41.4	-168.4	-60.8	-177.2	61.2	128	-5.4	113.2	Y655 I677	Y655-R675 HydrophobicContact CE1-CG 3.71Å; R675-I677 PolarHBondContact O-N 3.42Å; R675-I677 VanDerWaalsContact O-N 3.16Å
676	N	85.7	Confident	90.3	Very high	160 Å²	160	59.9 Å²	59.9	86%	0.856	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	17.5	-174.5	-56.4	-21.2	0	0	0	114.1	L674	L674-N676 VanDerWaalsContact C-N 3.29Å; L674-N676 PolarHBondContact O-N 2.6Å
677	I	87.7	Confident	90.2	Very high	23 Å²	23	60.3 Å²	60.3	12%	0.118	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-113.9	125.3	178.5	-66.7	156.9	0	0	0	109	P673 L674 R675 L690 F718 L720	P673-I677 WeakPolarHBondContact CA-O 3.44Å; L674-I677 PolarHBondContact N-O 3.44Å; L674-I677 WeakPolarHBondContact O-CB 3.31Å; L674-I677 PolarHBondContact O-N 3.16Å; R675-I677 PolarHBondContact O-N 3.42Å; R675-I677 VanDerWaalsContact O-N 3.16Å; I677-L690 HydrophobicContact CG2-CD1 4.12Å; I677-F718 HydrophobicContact CD1-CD1 3.68Å; I677-F718 HydrophobicContact CD1-CE1 4.17Å; I677-F718 WeakPolarHBondContact CD1-O 3.31Å; I677-L720 HydrophobicContact CG2-CD1 3.97Å; I677-L720 HydrophobicContact CG2-CG 3.83Å
678	T	91.8	Very high	90.4	Very high	81 Å²	81	59 Å²	59	50%	0.497	30%	0.296	S	S	.	.			trans	-100.1	118.8	167.9	-54.3	0	0	0	0	107.8	D680 L720	T678-D680 PolarHBondContact O-N 3.34Å; T678-D680 VanDerWaalsContact O-N 3.07Å; T678-L720 WeakPolarHBondContact O-CD1 3.14Å
679	W	93.1	Very high	90.6	Very high	11 Å²	11	57.4 Å²	57.4	4%	0.042	29%	0.286	C	S	.	.			trans	-67.3	106.6	-176.1	-165.8	-15.4	0	0	0	111.5	I441 Q585 M586 Y587 L659 A669 T670 L690	I441-W679 HydrophobicContact CD1-CH2 4.42Å; I441-W679 HydrophobicContact CG2-CH2 4.04Å; I441-W679 HydrophobicContact CG2-CZ2 4.23Å; Q585-W679 HydrophobicContact CB-CD2 4.48Å; Q585-W679 HydrophobicContact CB-CZ2 4.19Å; Q585-W679 HydrophobicContact CG-CD2 4.48Å; Q585-W679 HydrophobicContact CG-CG 4.27Å; Q585-W679 PolarHBondContact NE2-O 3.35Å; M586-W679 WeakPolarHBondContact O-CZ2 3.42Å; M586-W679 PolarHBondContact O-NE1 3.06Å; Y587-W679 AromaticContact CD1-CH2 3.97Å; Y587-W679 HydrophobicContact CD1-CH2 3.97Å; Y587-W679 HydrophobicContact CD1-CZ2 4.18Å; Y587-W679 HydrophobicContact CG-CH2 4.32Å; Y587-W679 HydrophobicContact CG-CZ2 4.39Å; L659-W679 HydrophobicContact CB-CZ3 4.23Å; L659-W679 HydrophobicContact CD1-CE3 4.47Å; L659-W679 HydrophobicContact CD1-CZ3 3.96Å; L659-W679 HydrophobicContact CD2-CE3 3.8Å; L659-W679 HydrophobicContact CD2-CZ3 3.96Å; L659-W679 HydrophobicContact CG-CZ3 4.27Å; A669-W679 HydrophobicContact CB-CD2 4.42Å; A669-W679 HydrophobicContact CB-CE3 3.43Å; A669-W679 VanDerWaalsContact CB-CE3 3.43Å; A669-W679 HydrophobicContact CB-CZ3 3.7Å; T670-W679 HydrophobicContact CG2-CB 3.95Å; T670-W679 WeakPolarHBondContact OG1-CB 3.47Å; T670-W679 PolarHBondContact OG1-N 2.9Å; W679-L690 HydrophobicContact CD2-CB 4.06Å; W679-L690 HydrophobicContact CD2-CD2 3.63Å; W679-L690 HydrophobicContact CD2-CG 4.47Å; W679-L690 HydrophobicContact CE3-CD2 3.55Å; W679-L690 HydrophobicContact CG-CB 4.36Å; W679-L690 HydrophobicContact CG-CD2 4.23Å; W679-L690 HydrophobicContact CH2-CD2 4.12Å; W679-L690 HydrophobicContact CZ2-CB 3.99Å; W679-L690 HydrophobicContact CZ2-CD2 4.2Å; W679-L690 HydrophobicContact CZ3-CD2 3.8Å
680	D	90.9	Very high	90.6	Very high	51 Å²	51	57.5 Å²	57.5	27%	0.273	29%	0.287	S	S	.	.			trans	-68.6	153.7	-179.6	-170.2	27.7	0	0	0	112.9	T678 T688 L720	T678-D680 PolarHBondContact O-N 3.34Å; T678-D680 VanDerWaalsContact O-N 3.07Å; D680-T688 PolarHBondContact OD2-OG1 2.9Å; D680-L720 HydrophobicContact CB-CD1 4.27Å
681	T	91.9	Very high	90.7	Very high	24 Å²	24	59 Å²	59	15%	0.147	29%	0.292	C	S	.	.			trans	-72.5	130	174.7	-54.7	0	0	0	0	109.9	H583 T584 R683 T688	H583-T681 PolarHBondContact CE1-OG1 2.86Å; H583-T681 PolarHBondContact ND1-OG1 3.48Å; H583-T681 VanDerWaalsContact ND1-OG1 3.13Å; T584-T681 CarbonylContact O-C 3.4Å; T584-T681 WeakPolarHBondContact O-CA 3.01Å; T584-T681 VanDerWaalsContact O-CG2 3.26Å; T584-T681 WeakPolarHBondContact O-CG2 3.35Å; T681-R683 HydrophobicContact CG2-CG 4.49Å; T681-R683 PolarHBondContact O-N 2.85Å; T681-R683 VanDerWaalsContact O-N 3.15Å; T681-T688 PolarHBondContact O-OG1 3.11Å; T681-T688 VanDerWaalsContact O-OG1 3.07Å
682	Y	93.5	Very high	90.9	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.016	27%	0.272	C	S	.	.			trans	-62.4	113.9	169.2	-177.9	-84.7	0	0	0	109.9	L557 Q558 S561 T584 M586 R687 T688	L557-Y682 HydrophobicContact CB-CD1 4.41Å; L557-Y682 HydrophobicContact CB-CE1 4.17Å; Q558-Y682 HydrophobicContact CG-CE1 4.37Å; S561-Y682 WeakPolarHBondContact CB-O 3.16Å; S561-Y682 WeakPolarHBondContact OG-CD1 3.42Å; T584-Y682 HydrophobicContact CG2-CD1 4.35Å; T584-Y682 PolarHBondContact O-N 3.03Å; M586-Y682 HydrophobicContact CB-CD2 3.73Å; M586-Y682 HydrophobicContact CB-CG 4.3Å; M586-Y682 HydrophobicContact CG-CD2 4.4Å; M586-Y682 HydrophobicContact SD-CD2 3.83Å; M586-Y682 HydrophobicContact SD-CE2 3.66Å; Y682-R687 HydrophobicContact CE2-CB 3.83Å; Y682-R687 HydrophobicContact CE2-CG 4.19Å; Y682-T688 WeakPolarHBondContact CD2-O 3.39Å
683	R	90.6	Very high	91.1	Very high	124 Å²	124	50.4 Å²	50.4	47%	0.468	25%	0.247	S	C	.	.			trans	-118.9	157.5	174.9	-62.2	178.4	-174.7	148.8	6.8	110.5	T681 E685 R687	T681-R683 HydrophobicContact CG2-CG 4.49Å; T681-R683 PolarHBondContact O-N 2.85Å; T681-R683 VanDerWaalsContact O-N 3.15Å; R683-E685 WeakPolarHBondContact CB-OE2 3.38Å; R683-E685 PolarHBondContact O-N 3.39Å; R683-R687 WeakPolarHBondContact O-CA 3.26Å; R683-R687 WeakPolarHBondContact O-CG 3.1Å; R683-R687 PolarHBondContact O-N 3.28Å
684	I	88.7	Confident	91	Very high	46 Å²	46	47.6 Å²	47.6	24%	0.236	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-30.7	-177.3	-68.8	176.9	0	0	0	111.8	N562 R687	N562-I684 HydrophobicContact CB-CD1 3.33Å; N562-I684 WeakPolarHBondContact ND2-CD1 3.5Å; I684-R687 WeakPolarHBondContact O-CG 3.23Å; I684-R687 PolarHBondContact O-NH1 3.49Å
685	E	89.2	Confident	91	Very high	126 Å²	126	48 Å²	48	59%	0.589	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-49.9	-177.6	-56.9	74.9	-160.8	0	0	110.7	R683	R683-E685 WeakPolarHBondContact CB-OE2 3.38Å; R683-E685 PolarHBondContact O-N 3.39Å
686	N	87.1	Confident	90.5	Very high	69 Å²	69	46.7 Å²	46.7	37%	0.369	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-25.6	-171.2	-63.4	1.4	0	0	0	113.5	T688 Q722	N686-T688 VanDerWaalsContact C-N 3.26Å; N686-T688 HydrophobicContact CB-CG2 4.05Å; N686-T688 PolarHBondContact O-N 3.04Å; N686-Q722 WeakPolarHBondContact O-CB 3.44Å; N686-Q722 VanDerWaalsContact O-CG 3.28Å; N686-Q722 WeakPolarHBondContact O-CG 3.27Å
687	R	92.1	Very high	89.3	Confident	64 Å²	64	44.4 Å²	44.4	24%	0.242	22%	0.22	C	C	.	.			trans	45.4	51.3	178.6	-62.8	172.5	-67.5	-93.3	-4.7	112	Y682 R683 I684 Q722 N723	Y682-R687 HydrophobicContact CE2-CB 3.83Å; Y682-R687 HydrophobicContact CE2-CG 4.19Å; R683-R687 WeakPolarHBondContact O-CA 3.26Å; R683-R687 WeakPolarHBondContact O-CG 3.1Å; R683-R687 PolarHBondContact O-N 3.28Å; I684-R687 WeakPolarHBondContact O-CG 3.23Å; I684-R687 PolarHBondContact O-NH1 3.49Å; R687-Q722 WeakPolarHBondContact O-CA 3.45Å; R687-N723 PolarHBondContact NE-OD1 3.15Å; R687-N723 PolarHBondContact NH2-OD1 2.8Å; R687-N723 PolarHBondContact O-N 2.76Å; R687-N723 VanDerWaalsContact O-N 3.14Å
688	T	95.5	Very high	87.5	Confident	6 Å²	6	49.1 Å²	49.1	4%	0.037	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	138.6	-177.2	40.6	0	0	0	0	110.9	D680 T681 Y682 N686 R721 Q722	D680-T688 PolarHBondContact OD2-OG1 2.9Å; T681-T688 PolarHBondContact O-OG1 3.11Å; T681-T688 VanDerWaalsContact O-OG1 3.07Å; Y682-T688 WeakPolarHBondContact CD2-O 3.39Å; N686-T688 VanDerWaalsContact C-N 3.26Å; N686-T688 HydrophobicContact CB-CG2 4.05Å; N686-T688 PolarHBondContact O-N 3.04Å; T688-R721 CarbonylContact C-O 3.26Å; T688-R721 VanDerWaalsContact CA-O 3.28Å; T688-R721 WeakPolarHBondContact CA-O 3.26Å; T688-Q722 HydrophobicContact CG2-CG 3.8Å
689	Y	96	Very high	85.3	Confident	16 Å²	16	50 Å²	50	6%	0.063	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	148.4	174.3	68.5	-84.2	0	0	0	110.4	M586 I588 W691 R721 Y724	M586-Y689 CarbonylContact O-C 3.52Å; M586-Y689 VanDerWaalsContact O-CA 3.25Å; M586-Y689 WeakPolarHBondContact O-CA 3.32Å; I588-Y689 HydrophobicContact CB-CD2 4.02Å; I588-Y689 HydrophobicContact CB-CE2 4.16Å; I588-Y689 HydrophobicContact CG1-CD2 3.51Å; I588-Y689 HydrophobicContact CG1-CE2 3.78Å; I588-Y689 HydrophobicContact CG1-CG 4.23Å; Y689-W691 HydrophobicContact CE2-CB 4.13Å; Y689-W691 HydrophobicContact CE2-CE3 4.09Å; Y689-R721 HydrophobicContact CD1-CB 4.24Å; Y689-R721 WeakPolarHBondContact CD1-O 3.41Å; Y689-R721 HydrophobicContact CD2-CB 4.43Å; Y689-R721 HydrophobicContact CE1-CB 3.53Å; Y689-R721 HydrophobicContact CE2-CB 3.77Å; Y689-R721 PolarHBondContact N-O 3.02Å; Y689-R721 PolarHBondContact O-N 3.33Å; Y689-R721 VanDerWaalsContact OH-CB 3.32Å; Y689-R721 WeakPolarHBondContact OH-CB 3.36Å; Y689-R721 WeakPolarHBondContact OH-CD 3.28Å; Y689-Y724 VanDerWaalsContact CE1-CB 3.48Å; Y689-Y724 HydrophobicContact CE1-CD2 4.31Å; Y689-Y724 HydrophobicContact CE1-CG 4.32Å; Y689-Y724 HydrophobicContact CE2-CD2 4.01Å; Y689-Y724 HydrophobicContact CE2-CG 4.42Å; Y689-Y724 AromaticContact CZ-CD2 3.68Å
690	L	96.2	Very high	82.8	Confident	2 Å²	2	56 Å²	56	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	118	173.1	-174.9	64	0	0	0	109.4	M586 Y587 I588 L659 I677 W679 L692 F718 L720	M586-L690 PolarHBondContact O-N 2.83Å; Y587-L690 CarbonylContact C-O 3.53Å; Y587-L690 WeakPolarHBondContact CA-O 3.36Å; Y587-L690 WeakPolarHBondContact CB-O 3.5Å; I588-L690 PolarHBondContact N-O 3.39Å; L659-L690 HydrophobicContact CD1-CD2 4.06Å; I677-L690 HydrophobicContact CG2-CD1 4.12Å; W679-L690 HydrophobicContact CD2-CB 4.06Å; W679-L690 HydrophobicContact CD2-CD2 3.63Å; W679-L690 HydrophobicContact CD2-CG 4.47Å; W679-L690 HydrophobicContact CE3-CD2 3.55Å; W679-L690 HydrophobicContact CG-CB 4.36Å; W679-L690 HydrophobicContact CG-CD2 4.23Å; W679-L690 HydrophobicContact CH2-CD2 4.12Å; W679-L690 HydrophobicContact CZ2-CB 3.99Å; W679-L690 HydrophobicContact CZ2-CD2 4.2Å; W679-L690 HydrophobicContact CZ3-CD2 3.8Å; L690-L692 HydrophobicContact CD2-CD2 3.57Å; L690-L692 HydrophobicContact CD2-CG 4.34Å; L690-L692 HydrophobicContact CG-CD2 3.77Å; L690-L692 HydrophobicContact CG-CG 4.27Å; L690-L692 PolarHBondContact O-N 3.27Å; L690-F718 HydrophobicContact CD1-CD1 4.25Å; L690-F718 HydrophobicContact CD1-CE1 3.85Å; L690-F718 HydrophobicContact CD1-CZ 4.27Å; L690-F718 HydrophobicContact CD2-CE1 4.33Å; L690-F718 HydrophobicContact CD2-CZ 3.96Å; L690-F718 HydrophobicContact CG-CZ 4.48Å; L690-L720 HydrophobicContact CB-CD2 4.38Å; L690-L720 HydrophobicContact CD1-CD2 4.24Å
691	W	95.7	Very high	80.1	Confident	34 Å²	34	57.9 Å²	57.9	13%	0.129	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	109.1	173.3	177	-99.1	0	0	0	109.1	V446 I588 Y689 N693 D717 F718 D719 R721 Y724	V446-W691 HydrophobicContact CG2-CH2 3.61Å; V446-W691 HydrophobicContact CG2-CZ3 3.84Å; I588-W691 HydrophobicContact CB-CE3 3.87Å; I588-W691 HydrophobicContact CB-CZ3 4.14Å; I588-W691 HydrophobicContact CG2-CE3 3.72Å; I588-W691 HydrophobicContact CG2-CZ3 3.45Å; I588-W691 VanDerWaalsContact CG2-CZ3 3.45Å; Y689-W691 HydrophobicContact CE2-CB 4.13Å; Y689-W691 HydrophobicContact CE2-CE3 4.09Å; W691-N693 HydrophobicContact CZ2-CB 4.23Å; W691-N693 PolarHBondContact O-N 3.01Å; W691-D717 VanDerWaalsContact CD1-O 3.31Å; W691-F718 VanDerWaalsContact O-CA 3.29Å; W691-F718 WeakPolarHBondContact O-CA 3.44Å; W691-D719 WeakPolarHBondContact CB-O 3.48Å; W691-D719 PolarHBondContact N-O 3.45Å; W691-D719 PolarHBondContact O-N 3.33Å; W691-R721 HydrophobicContact CB-CG 4.23Å; W691-R721 VanDerWaalsContact CD1-CZ 3.48Å; W691-R721 VanDerWaalsContact CD1-NH2 3.26Å; W691-Y724 HydrophobicContact CZ3-CE2 4.11Å
692	L	94.8	Very high	77.3	Confident	1 Å²	1	65.4 Å²	65.4	1%	0.005	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	86.7	-179.1	-62	175.3	0	0	0	109.6	Y587 I588 F589 G590 Y591 M652 M656 L659 L690 F718	Y587-L692 HydrophobicContact CD2-CD1 3.66Å; Y587-L692 HydrophobicContact CE2-CD1 4.39Å; Y587-L692 HydrophobicContact CG-CD1 3.95Å; I588-L692 PolarHBondContact O-N 2.94Å; F589-L692 HydrophobicContact CD2-CB 4.02Å; F589-L692 HydrophobicContact CD2-CD1 4.09Å; G590-L692 CarbonylContact C-O 3.59Å; G590-L692 WeakPolarHBondContact CA-O 3.44Å; G590-L692 PolarHBondContact N-O 2.86Å; Y591-L692 PolarHBondContact N-O 3.45Å; Y591-L692 VanDerWaalsContact N-O 3.08Å; M652-L692 HydrophobicContact CE-CB 4.08Å; M652-L692 HydrophobicContact CE-CD2 4.25Å; M656-L692 HydrophobicContact CE-CD1 3.96Å; L659-L692 HydrophobicContact CD1-CD2 4.02Å; L690-L692 HydrophobicContact CD2-CD2 3.57Å; L690-L692 HydrophobicContact CD2-CG 4.34Å; L690-L692 HydrophobicContact CG-CD2 3.77Å; L690-L692 HydrophobicContact CG-CG 4.27Å; L690-L692 PolarHBondContact O-N 3.27Å; L692-F718 HydrophobicContact CD2-CD2 3.67Å; L692-F718 HydrophobicContact CD2-CE2 3.18Å; L692-F718 HydrophobicContact CD2-CZ 3.8Å
693	N	92.8	Very high	74.4	Confident	34 Å²	34	69.2 Å²	69.2	18%	0.182	37%	0.372	C	S	.	.			trans	-136.9	109.3	170.7	-174.9	28.4	0	0	0	109.7	G590 W691 G716 D717 F718	G590-N693 PolarHBondContact O-OD1 3.33Å; W691-N693 HydrophobicContact CZ2-CB 4.23Å; W691-N693 PolarHBondContact O-N 3.01Å; N693-G716 PolarHBondContact ND2-O 3.2Å; N693-D717 CarbonylContact O-C 3.54Å; N693-D717 WeakPolarHBondContact O-CA 3.4Å; N693-F718 PolarHBondContact O-N 3.02Å
694	L	89.2	Confident	71.5	Confident	9 Å²	9	68 Å²	68	5%	0.047	38%	0.383	C	S	.	.			trans	-89.1	122.4	176.2	-173.7	64.3	0	0	0	110.4	Y591 L648 K651 M652 Y655	Y591-L694 HydrophobicContact CD2-CB 3.84Å; Y591-L694 VanDerWaalsContact CD2-O 3.29Å; Y591-L694 WeakPolarHBondContact CD2-O 3.35Å; Y591-L694 HydrophobicContact CE2-CB 3.88Å; Y591-L694 WeakPolarHBondContact CE2-O 3.42Å; L648-L694 HydrophobicContact CD2-CD2 4.27Å; L648-L694 HydrophobicContact CD2-CG 4.32Å; L648-L694 WeakPolarHBondContact O-CD2 3.33Å; K651-L694 HydrophobicContact CB-CD2 3.61Å; M652-L694 HydrophobicContact CB-CB 4.43Å; M652-L694 HydrophobicContact CB-CD2 4.08Å; M652-L694 HydrophobicContact SD-CB 3.78Å; Y655-L694 HydrophobicContact CD2-CD2 4.43Å; Y655-L694 HydrophobicContact CE2-CD1 4.2Å; Y655-L694 HydrophobicContact CE2-CD2 4.27Å
695	T	84.2	Confident	68.7	Low	37 Å²	37	77.3 Å²	77.3	23%	0.227	42%	0.417	C	S	.	.			trans	-114.5	153.1	175.9	46.1	0	0	0	0	108.7	D717	T695-D717 PolarHBondContact OG1-OD1 3.35Å
696	D	73.1	Confident	66	Low	59 Å²	59	78.2 Å²	78.2	32%	0.316	42%	0.421	S	S	.	.			trans	-82	138	168.7	-147.5	-21.2	0	0	0	109.6	L648 L698 T699	L648-D696 HydrophobicContact CD1-CB 4Å; L648-D696 HydrophobicContact CD2-CB 4.26Å; D696-L698 PolarHBondContact O-N 2.95Å; D696-T699 PolarHBondContact O-N 3.41Å; D696-T699 PolarHBondContact O-OG1 3.4Å
697	N	60.6	Low	63.6	Low	112 Å²	112	80.1 Å²	80.1	60%	0.599	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-63.4	-24.4	176.8	-71	-10.5	0	0	0	111.4
698	L	50.4	Low	60.7	Low	122 Å²	122	84.8 Å²	84.8	64%	0.639	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-71.1	-31.4	-176.6	-69.9	164.7	0	0	0	113.5	D696 L700 S701	D696-L698 PolarHBondContact O-N 2.95Å; L698-L700 PolarHBondContact O-N 2.83Å; L698-S701 PolarHBondContact O-N 2.67Å; L698-S701 VanDerWaalsContact O-N 3.09Å; L698-S701 PolarHBondContact O-OG 3.33Å
699	T	44.7	Very low	57.9	Low	100 Å²	100	89 Å²	89	61%	0.613	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-74.9	-9.3	-177.6	55.7	0	0	0	0	113.8	D696 S701	D696-T699 PolarHBondContact O-N 3.41Å; D696-T699 PolarHBondContact O-OG1 3.4Å; T699-S701 VanDerWaalsContact C-N 3.34Å
700	L	42.4	Very low	55	Low	137 Å²	137	96.6 Å²	96.6	72%	0.717	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-84.2	-6.3	170.6	-69.6	171	0	0	0	113.3	L698	L698-L700 PolarHBondContact O-N 2.83Å
701	S	33.4	Very low	52.1	Low	89 Å²	89	104 Å²	104	62%	0.622	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.5	-10.1	-175.5	17.3	0	0	0	0	115.8	L698 T699	L698-S701 PolarHBondContact O-N 2.67Å; L698-S701 VanDerWaalsContact O-N 3.09Å; L698-S701 PolarHBondContact O-OG 3.33Å; T699-S701 VanDerWaalsContact C-N 3.34Å
702	E	33.3	Very low	49.2	Very low	183 Å²	183	109.5 Å²	109.5	86%	0.855	59%	0.591	S	S	*	*	S	Bend	trans	-120.6	98.2	-179.8	-69.9	-174.2	170.4	0	0	111.8
703	G	31.4	Very low	46.5	Very low	83 Å²	83	120.2 Å²	120.2	86%	0.856	63%	0.631	S	S	*	*	S	Bend	trans	114.9	45.8	156.7	0	0	0	0	0	118.7
704	S	30.6	Very low	44.1	Very low	98 Å²	98	123 Å²	123	69%	0.685	65%	0.645	S	S	*	*			trans	-154.3	95.3	157.4	-176.5	0	0	0	0	111.9	H706	S704-H706 PolarHBondContact O-N 3Å
705	Y	30	Very low	41.8	Very low	242 Å²	242	128.7 Å²	128.7	95%	0.949	67%	0.671	S	S	*	*			trans	-68.3	82.1	163.5	-94.2	-95.9	0	0	0	109.1
706	H	32.2	Very low	40.2	Very low	145 Å²	145	128.4 Å²	128.4	67%	0.671	68%	0.676	S	S	*	*			trans	-123.6	92	158.6	-92.8	-69	0	0	0	108.9	S704 N708	S704-H706 PolarHBondContact O-N 3Å; H706-N708 PolarHBondContact O-N 2.56Å
707	S	36.2	Very low	40.1	Very low	109 Å²	109	127.8 Å²	127.8	76%	0.762	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	97.3	168.2	52.9	0	0	0	0	109.8
708	N	33	Very low	41	Very low	162 Å²	162	122.8 Å²	122.8	87%	0.866	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	155	25.6	158	-80.1	-17.4	0	0	0	112.4	H706	H706-N708 PolarHBondContact O-N 2.56Å
709	L	35.9	Very low	42.9	Very low	96 Å²	96	120 Å²	120	50%	0.503	63%	0.631	S	S	.	*			trans	-121.4	25.1	-174.9	-118.2	87.5	0	0	0	114.1	L711 K712	L709-L711 PolarHBondContact O-N 3.4Å; L709-L711 VanDerWaalsContact O-N 3.17Å; L709-K712 HydrophobicContact CB-CB 4.33Å; L709-K712 HydrophobicContact CD1-CD 4.21Å; L709-K712 HydrophobicContact CD2-CB 3.58Å; L709-K712 HydrophobicContact CD2-CD 3.16Å; L709-K712 HydrophobicContact CD2-CG 4.01Å; L709-K712 HydrophobicContact CG-CB 3.7Å; L709-K712 HydrophobicContact CG-CD 3.59Å; L709-K712 HydrophobicContact CG-CG 4.19Å; L709-K712 PolarHBondContact O-N 2.96Å
710	E	35.6	Very low	45.1	Very low	175 Å²	175	117.7 Å²	117.7	82%	0.818	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-64	-14.3	169.3	-72.5	-154.8	140.4	0	0	112.9	K712	E710-K712 VanDerWaalsContact C-N 3.33Å
711	L	35.2	Very low	47.6	Very low	158 Å²	158	113.5 Å²	113.5	83%	0.827	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-85	3.2	169.7	-131.6	90.3	0	0	0	114.5	L709	L709-L711 PolarHBondContact O-N 3.4Å; L709-L711 VanDerWaalsContact O-N 3.17Å
712	K	34.2	Very low	50.5	Low	148 Å²	148	114.2 Å²	114.2	64%	0.643	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-114.2	30.8	-180	-109.9	179.6	177.4	179	0	113.6	L709 E710 I714	L709-K712 HydrophobicContact CB-CB 4.33Å; L709-K712 HydrophobicContact CD1-CD 4.21Å; L709-K712 HydrophobicContact CD2-CB 3.58Å; L709-K712 HydrophobicContact CD2-CD 3.16Å; L709-K712 HydrophobicContact CD2-CG 4.01Å; L709-K712 HydrophobicContact CG-CB 3.7Å; L709-K712 HydrophobicContact CG-CD 3.59Å; L709-K712 HydrophobicContact CG-CG 4.19Å; L709-K712 PolarHBondContact O-N 2.96Å; E710-K712 VanDerWaalsContact C-N 3.33Å; K712-I714 PolarHBondContact O-N 2.93Å
713	R	38.9	Very low	53.4	Low	226 Å²	226	108.6 Å²	108.6	85%	0.853	56%	0.559	S	S	*	*	S	Bend	trans	-65	12.7	152.5	-74.4	-167.6	-162.9	168.2	7.6	113.2
714	I	41.9	Very low	56.5	Low	94 Å²	94	106 Å²	106	48%	0.482	52%	0.523	S	S	.	.			trans	-120.6	122.1	-167.8	-43	-178.1	0	0	0	108	K712	K712-I714 PolarHBondContact O-N 2.93Å
715	H	41.1	Very low	59.5	Low	127 Å²	127	104 Å²	104	59%	0.588	50%	0.501	S	S	*	.	S	Bend	trans	108.2	16.4	162.6	-50.1	-60.4	0	0	0	121.1	R721	H715-R721 VanDerWaalsContact C-NH2 3.29Å; H715-R721 PolarHBondContact O-NH2 3.34Å
716	G	49.7	Very low	62.4	Low	32 Å²	32	94.7 Å²	94.7	33%	0.33	47%	0.467	S	S	.	.	S	Bend	trans	-86.2	-30.5	167.7	0	0	0	0	0	115.4	N693	N693-G716 PolarHBondContact ND2-O 3.2Å
717	D	71.6	Confident	65.3	Low	45 Å²	45	94.2 Å²	94.2	24%	0.241	47%	0.469	C	S	.	.	S	Bend	trans	-108.7	171.6	-149.1	-59.4	2.5	0	0	0	114	W691 N693 T695 D719	W691-D717 VanDerWaalsContact CD1-O 3.31Å; N693-D717 CarbonylContact O-C 3.54Å; N693-D717 WeakPolarHBondContact O-CA 3.4Å; T695-D717 PolarHBondContact OG1-OD1 3.35Å; D717-D719 WeakPolarHBondContact O-CB 3.29Å; D717-D719 PolarHBondContact O-N 3.48Å; D717-D719 VanDerWaalsContact O-N 3.09Å
718	F	79.9	Confident	68.1	Low	8 Å²	8	90 Å²	90	4%	0.035	44%	0.439	C	S	.	.	S	Bend	trans	-48.2	105.9	167	-169.5	-73.9	0	0	0	110.5	L659 L674 I677 L690 W691 L692 N693	L659-F718 HydrophobicContact CD1-CE2 4.43Å; L659-F718 HydrophobicContact CD1-CZ 4.24Å; L674-F718 HydrophobicContact CD2-CZ 4.26Å; I677-F718 HydrophobicContact CD1-CD1 3.68Å; I677-F718 HydrophobicContact CD1-CE1 4.17Å; I677-F718 WeakPolarHBondContact CD1-O 3.31Å; L690-F718 HydrophobicContact CD1-CD1 4.25Å; L690-F718 HydrophobicContact CD1-CE1 3.85Å; L690-F718 HydrophobicContact CD1-CZ 4.27Å; L690-F718 HydrophobicContact CD2-CE1 4.33Å; L690-F718 HydrophobicContact CD2-CZ 3.96Å; L690-F718 HydrophobicContact CG-CZ 4.48Å; W691-F718 VanDerWaalsContact O-CA 3.29Å; W691-F718 WeakPolarHBondContact O-CA 3.44Å; L692-F718 HydrophobicContact CD2-CD2 3.67Å; L692-F718 HydrophobicContact CD2-CE2 3.18Å; L692-F718 HydrophobicContact CD2-CZ 3.8Å; N693-F718 PolarHBondContact O-N 3.02Å
719	D	89.3	Confident	71.1	Confident	62 Å²	62	82.3 Å²	82.3	33%	0.332	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	162.7	-170.5	-167.2	15.3	0	0	0	112.5	W691 D717	W691-D719 WeakPolarHBondContact CB-O 3.48Å; W691-D719 PolarHBondContact N-O 3.45Å; W691-D719 PolarHBondContact O-N 3.33Å; D717-D719 WeakPolarHBondContact O-CB 3.29Å; D717-D719 PolarHBondContact O-N 3.48Å; D717-D719 VanDerWaalsContact O-N 3.09Å
720	L	92.2	Very high	73.9	Confident	53 Å²	53	80 Å²	80	28%	0.277	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	128	171.7	-75.9	171.3	0	0	0	111.4	I677 T678 D680 L690	I677-L720 HydrophobicContact CG2-CD1 3.97Å; I677-L720 HydrophobicContact CG2-CG 3.83Å; T678-L720 WeakPolarHBondContact O-CD1 3.14Å; D680-L720 HydrophobicContact CB-CD1 4.27Å; L690-L720 HydrophobicContact CB-CD2 4.38Å; L690-L720 HydrophobicContact CD1-CD2 4.24Å
721	R	94.2	Very high	76.8	Confident	48 Å²	48	72.1 Å²	72.1	18%	0.181	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	173	179.8	-62.4	-176.8	-168.8	-164.2	0	110.3	T688 Y689 W691 H715	T688-R721 CarbonylContact C-O 3.26Å; T688-R721 VanDerWaalsContact CA-O 3.28Å; T688-R721 WeakPolarHBondContact CA-O 3.26Å; Y689-R721 HydrophobicContact CD1-CB 4.24Å; Y689-R721 WeakPolarHBondContact CD1-O 3.41Å; Y689-R721 HydrophobicContact CD2-CB 4.43Å; Y689-R721 HydrophobicContact CE1-CB 3.53Å; Y689-R721 HydrophobicContact CE2-CB 3.77Å; Y689-R721 PolarHBondContact N-O 3.02Å; Y689-R721 PolarHBondContact O-N 3.33Å; Y689-R721 VanDerWaalsContact OH-CB 3.32Å; Y689-R721 WeakPolarHBondContact OH-CB 3.36Å; Y689-R721 WeakPolarHBondContact OH-CD 3.28Å; W691-R721 HydrophobicContact CB-CG 4.23Å; W691-R721 VanDerWaalsContact CD1-CZ 3.48Å; W691-R721 VanDerWaalsContact CD1-NH2 3.26Å; H715-R721 VanDerWaalsContact C-NH2 3.29Å; H715-R721 PolarHBondContact O-NH2 3.34Å
722	Q	94.9	Very high	79.6	Confident	104 Å²	104	65.5 Å²	65.5	49%	0.486	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	156.1	-177	-65.8	-177.4	10.6	0	0	111.6	N686 R687 T688 Y724	N686-Q722 WeakPolarHBondContact O-CB 3.44Å; N686-Q722 VanDerWaalsContact O-CG 3.28Å; N686-Q722 WeakPolarHBondContact O-CG 3.27Å; R687-Q722 WeakPolarHBondContact O-CA 3.45Å; T688-Q722 HydrophobicContact CG2-CG 3.8Å; Q722-Y724 PolarHBondContact O-N 3.29Å
723	N	94.2	Very high	82.4	Confident	66 Å²	66	61.4 Å²	61.4	35%	0.353	30%	0.301	S	S	.	.			trans	58	43.1	167.6	-56.5	-53.8	0	0	0	114.5	R687 R725	R687-N723 PolarHBondContact NE-OD1 3.15Å; R687-N723 PolarHBondContact NH2-OD1 2.8Å; R687-N723 PolarHBondContact O-N 2.76Å; R687-N723 VanDerWaalsContact O-N 3.14Å; N723-R725 PolarHBondContact O-N 3.3Å
724	Y	95.2	Very high	85	Confident	28 Å²	28	57.7 Å²	57.7	11%	0.11	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	112.8	178.2	-168.5	-114.8	0	0	0	110.5	M444 I588 Y689 W691 Q722 M726 Y729	M444-Y724 HydrophobicContact SD-CE1 4.33Å; I588-Y724 HydrophobicContact CD1-CD1 3.4Å; I588-Y724 VanDerWaalsContact CD1-CD1 3.4Å; I588-Y724 HydrophobicContact CD1-CE1 3.44Å; I588-Y724 VanDerWaalsContact CD1-CE1 3.44Å; I588-Y724 HydrophobicContact CD1-CG 4Å; I588-Y724 HydrophobicContact CG1-CD1 3.76Å; I588-Y724 HydrophobicContact CG1-CD2 4.03Å; I588-Y724 HydrophobicContact CG1-CE1 3.9Å; I588-Y724 HydrophobicContact CG1-CE2 4.18Å; I588-Y724 HydrophobicContact CG1-CG 3.82Å; I588-Y724 HydrophobicContact CG2-CE1 4.23Å; I588-Y724 HydrophobicContact CG2-CE2 4.11Å; Y689-Y724 VanDerWaalsContact CE1-CB 3.48Å; Y689-Y724 HydrophobicContact CE1-CD2 4.31Å; Y689-Y724 HydrophobicContact CE1-CG 4.32Å; Y689-Y724 HydrophobicContact CE2-CD2 4.01Å; Y689-Y724 HydrophobicContact CE2-CG 4.42Å; Y689-Y724 AromaticContact CZ-CD2 3.68Å; W691-Y724 HydrophobicContact CZ3-CE2 4.11Å; Q722-Y724 PolarHBondContact O-N 3.29Å; Y724-M726 PolarHBondContact O-N 2.92Å; Y724-Y729 HydrophobicContact CD1-CE2 4.03Å; Y724-Y729 AromaticContact CD1-CZ 3.99Å; Y724-Y729 WeakPolarHBondContact CD1-OH 3.35Å; Y724-Y729 WeakPolarHBondContact CE1-OH 3.36Å; Y724-Y729 WeakPolarHBondContact O-CD2 3.38Å; Y724-Y729 WeakPolarHBondContact O-CE2 3.4Å
725	R	93.9	Very high	87.5	Confident	56 Å²	56	55.8 Å²	55.8	21%	0.211	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	29.9	170.7	-52.4	-170.1	70	-161.6	-14.7	115.7	S542 D546 N723 N727 T728 Y729	S542-R725 VanDerWaalsContact CB-NH1 3.3Å; S542-R725 PolarHBondContact O-NH1 3.18Å; S542-R725 PolarHBondContact O-NH2 2.69Å; D546-R725 VanDerWaalsContact CG-CZ 3.49Å; D546-R725 IonicContact OD1-CZ 3.64Å; D546-R725 IonicContact OD1-NE 3.19Å; D546-R725 IonicContact OD1-NH1 3.46Å; D546-R725 PolarHBondContact OD1-NH1 3.31Å; D546-R725 IonicContact OD1-NH2 3.6Å; D546-R725 PolarHBondContact OD1-NH2 2.78Å; D546-R725 IonicContact OD2-CZ 3.6Å; D546-R725 VanDerWaalsContact OD2-CZ 3.26Å; D546-R725 IonicContact OD2-NE 3.33Å; D546-R725 IonicContact OD2-NH1 3.05Å; D546-R725 IonicContact OD2-NH2 2.72Å; D546-R725 PolarHBondContact OD2-NH2 2.86Å; N723-R725 PolarHBondContact O-N 3.3Å; R725-N727 VanDerWaalsContact C-N 3.28Å; R725-N727 PolarHBondContact O-N 2.98Å; R725-N727 VanDerWaalsContact O-N 3.14Å; R725-T728 PolarHBondContact O-N 3.23Å; R725-T728 VanDerWaalsContact O-N 3.07Å; R725-T728 PolarHBondContact O-OG1 3.3Å; R725-Y729 HydrophobicContact CB-CD2 4.34Å; R725-Y729 HydrophobicContact CB-CE1 4.24Å; R725-Y729 HydrophobicContact CB-CE2 3.86Å; R725-Y729 WeakPolarHBondContact O-CD2 3.27Å; R725-Y729 PolarHBondContact O-N 3.04Å
726	M	90.9	Very high	90	Very high	47 Å²	47	50 Å²	50	23%	0.232	25%	0.251	C	S	.	.	H	α-helix	trans	-57.9	-36.3	-171.8	-171.3	62.3	-172.2	0	0	114	Y724 S730	Y724-M726 PolarHBondContact O-N 2.92Å; M726-S730 WeakPolarHBondContact O-CB 3.28Å; M726-S730 PolarHBondContact O-N 3.04Å; M726-S730 PolarHBondContact O-OG 3.31Å
727	N	92.8	Very high	91.8	Very high	135 Å²	135	50.7 Å²	50.7	72%	0.722	25%	0.254	S	S	*	.	H	α-helix	trans	-65.7	-41.5	178.7	-69.9	-12.7	0	0	0	112.1	R725 S730 Y731	R725-N727 VanDerWaalsContact C-N 3.28Å; R725-N727 PolarHBondContact O-N 2.98Å; R725-N727 VanDerWaalsContact O-N 3.14Å; N727-S730 PolarHBondContact O-N 2.9Å; N727-Y731 PolarHBondContact O-N 3.36Å
728	T	95.4	Very high	92.8	Very high	20 Å²	20	52.9 Å²	52.9	12%	0.123	26%	0.261	C	S	.	.	H	α-helix	trans	-75.7	-35.1	179.7	61.5	0	0	0	0	111.2	D546 R725 S730 Y731 W732	D546-T728 WeakPolarHBondContact OD2-CB 3.12Å; D546-T728 PolarHBondContact OD2-OG1 2.78Å; R725-T728 PolarHBondContact O-N 3.23Å; R725-T728 VanDerWaalsContact O-N 3.07Å; R725-T728 PolarHBondContact O-OG1 3.3Å; T728-S730 VanDerWaalsContact C-N 3.34Å; T728-S730 PolarHBondContact O-N 3.08Å; T728-Y731 VanDerWaalsContact O-CB 3.3Å; T728-Y731 WeakPolarHBondContact O-CB 3.49Å; T728-Y731 PolarHBondContact O-N 2.82Å; T728-W732 PolarHBondContact O-N 3.23Å
729	Y	96.3	Very high	93.3	Very high	1 Å²	1	52.9 Å²	52.9	0%	0.004	26%	0.261	C	S	.	.	H	α-helix	trans	-62.5	-41.3	170.2	-60	-30.8	0	0	0	112.3	D546 I554 Y724 R725 Y731 W732 I733	D546-Y729 HydrophobicContact CB-CD1 4.01Å; D546-Y729 HydrophobicContact CB-CE1 3.95Å; D546-Y729 WeakPolarHBondContact OD1-CE1 3.11Å; I554-Y729 HydrophobicContact CB-CD2 4.3Å; I554-Y729 HydrophobicContact CD1-CE2 4.32Å; I554-Y729 HydrophobicContact CG1-CD2 3.62Å; I554-Y729 HydrophobicContact CG1-CE2 3.59Å; I554-Y729 HydrophobicContact CG1-CG 4.47Å; I554-Y729 HydrophobicContact CG2-CD2 4.48Å; Y724-Y729 HydrophobicContact CD1-CE2 4.03Å; Y724-Y729 AromaticContact CD1-CZ 3.99Å; Y724-Y729 WeakPolarHBondContact CD1-OH 3.35Å; Y724-Y729 WeakPolarHBondContact CE1-OH 3.36Å; Y724-Y729 WeakPolarHBondContact O-CD2 3.38Å; Y724-Y729 WeakPolarHBondContact O-CE2 3.4Å; R725-Y729 HydrophobicContact CB-CD2 4.34Å; R725-Y729 HydrophobicContact CB-CE1 4.24Å; R725-Y729 HydrophobicContact CB-CE2 3.86Å; R725-Y729 WeakPolarHBondContact O-CD2 3.27Å; R725-Y729 PolarHBondContact O-N 3.04Å; Y729-Y731 VanDerWaalsContact C-N 3.27Å; Y729-Y731 PolarHBondContact O-N 3.45Å; Y729-W732 PolarHBondContact O-N 3.18Å; Y729-I733 WeakPolarHBondContact O-CB 3.43Å; Y729-I733 VanDerWaalsContact O-CG1 3.24Å; Y729-I733 WeakPolarHBondContact O-CG1 3.42Å; Y729-I733 PolarHBondContact O-N 3.14Å
730	S	94.3	Very high	93.4	Very high	48 Å²	48	50.1 Å²	50.1	34%	0.336	25%	0.246	S	C	.	.	H	α-helix	trans	-63.7	-34.2	175.7	-58.7	0	0	0	0	112.1	M726 N727 T728 Y734	M726-S730 WeakPolarHBondContact O-CB 3.28Å; M726-S730 PolarHBondContact O-N 3.04Å; M726-S730 PolarHBondContact O-OG 3.31Å; N727-S730 PolarHBondContact O-N 2.9Å; T728-S730 VanDerWaalsContact C-N 3.34Å; T728-S730 PolarHBondContact O-N 3.08Å; S730-Y734 WeakPolarHBondContact O-CB 3.41Å; S730-Y734 PolarHBondContact O-N 3.21Å
731	Y	96.3	Very high	93.3	Very high	8 Å²	8	52.7 Å²	52.7	3%	0.031	26%	0.26	C	S	.	.	I	π-helix	trans	-57	-51.9	171.7	172.3	-96	0	0	0	111.3	S519 L520 Q523 N727 T728 Y729 L735 Y736 Q739	S519-Y731 WeakPolarHBondContact OG-CE2 3.35Å; L520-Y731 HydrophobicContact CD2-CE1 3.62Å; Q523-Y731 HydrophobicContact CG-CD2 4.17Å; Q523-Y731 HydrophobicContact CG-CG 4.35Å; N727-Y731 PolarHBondContact O-N 3.36Å; T728-Y731 VanDerWaalsContact O-CB 3.3Å; T728-Y731 WeakPolarHBondContact O-CB 3.49Å; T728-Y731 PolarHBondContact O-N 2.82Å; Y729-Y731 VanDerWaalsContact C-N 3.27Å; Y729-Y731 PolarHBondContact O-N 3.45Å; Y731-L735 HydrophobicContact CD2-CB 3.99Å; Y731-L735 HydrophobicContact CD2-CD2 3.81Å; Y731-L735 HydrophobicContact CD2-CG 4.19Å; Y731-L735 HydrophobicContact CE2-CB 4.35Å; Y731-L735 HydrophobicContact CE2-CD2 3.94Å; Y731-L735 HydrophobicContact CE2-CG 4.17Å; Y731-L735 CarbonylContact O-C 3.57Å; Y731-L735 WeakPolarHBondContact O-CA 3.39Å; Y731-L735 PolarHBondContact O-N 3.07Å; Y731-Y736 AromaticContact CE1-CD2 3.94Å; Y731-Y736 HydrophobicContact CE1-CD2 3.94Å; Y731-Y736 HydrophobicContact CE1-CG 4.5Å; Y731-Y736 PolarHBondContact O-N 3.08Å; Y731-Q739 PolarHBondContact OH-OE1 2.92Å
732	W	95.4	Very high	93	Very high	20 Å²	20	56.5 Å²	56.5	8%	0.076	28%	0.275	C	S	.	.	I	π-helix	trans	-67.9	-44.7	180	-69.9	106.1	0	0	0	113.2	M504 L520 Y524 R547 T728 Y729 Y734 Y736	M504-W732 HydrophobicContact CE-CH2 4.07Å; L520-W732 HydrophobicContact CD2-CH2 3.69Å; L520-W732 HydrophobicContact CD2-CZ2 3.78Å; Y524-W732 HydrophobicContact CE2-CZ2 4.17Å; Y524-W732 AromaticContact CE2-NE1 3.94Å; Y524-W732 AromaticContact CZ-NE1 3.76Å; Y524-W732 PolarHBondContact OH-NE1 3.24Å; R547-W732 HydrophobicContact CB-CD2 3.96Å; R547-W732 HydrophobicContact CB-CE3 3.98Å; R547-W732 HydrophobicContact CB-CH2 3.93Å; R547-W732 HydrophobicContact CB-CZ2 3.89Å; R547-W732 HydrophobicContact CB-CZ3 3.97Å; R547-W732 HydrophobicContact CG-CD2 4.49Å; R547-W732 HydrophobicContact CG-CE3 4.03Å; R547-W732 HydrophobicContact CG-CH2 4.2Å; R547-W732 HydrophobicContact CG-CZ3 3.87Å; T728-W732 PolarHBondContact O-N 3.23Å; Y729-W732 PolarHBondContact O-N 3.18Å; W732-Y734 VanDerWaalsContact C-N 3.32Å; W732-Y734 PolarHBondContact O-N 3.1Å; W732-Y736 AromaticContact CE3-CD1 3.78Å; W732-Y736 HydrophobicContact CE3-CD1 3.78Å; W732-Y736 HydrophobicContact CE3-CD2 4.02Å; W732-Y736 HydrophobicContact CE3-CE1 4.27Å; W732-Y736 HydrophobicContact CE3-CE2 4.48Å; W732-Y736 AromaticContact CE3-CG 3.64Å; W732-Y736 HydrophobicContact CE3-CG 3.64Å; W732-Y736 HydrophobicContact CH2-CD2 4.31Å; W732-Y736 HydrophobicContact CH2-CE2 4.16Å; W732-Y736 AromaticContact CZ3-CD1 3.7Å; W732-Y736 HydrophobicContact CZ3-CD1 3.7Å; W732-Y736 AromaticContact CZ3-CD2 3.64Å; W732-Y736 HydrophobicContact CZ3-CD2 3.64Å; W732-Y736 AromaticContact CZ3-CE1 3.72Å; W732-Y736 HydrophobicContact CZ3-CE1 3.72Å; W732-Y736 AromaticContact CZ3-CE2 3.67Å; W732-Y736 HydrophobicContact CZ3-CE2 3.67Å; W732-Y736 AromaticContact CZ3-CG 3.65Å; W732-Y736 HydrophobicContact CZ3-CG 3.65Å; W732-Y736 AromaticContact CZ3-CZ 3.71Å
733	I	93.2	Very high	92.6	Very high	62 Å²	62	58 Å²	58	32%	0.318	29%	0.285	S	S	.	.	I	π-helix	trans	-65	-35.8	-177.3	-68.7	168.7	0	0	0	111.9	Q555 Y729	Q555-I733 HydrophobicContact CB-CD1 4.42Å; Q555-I733 VanDerWaalsContact NE2-CG2 3.35Å; Y729-I733 WeakPolarHBondContact O-CB 3.43Å; Y729-I733 VanDerWaalsContact O-CG1 3.24Å; Y729-I733 WeakPolarHBondContact O-CG1 3.42Å; Y729-I733 PolarHBondContact O-N 3.14Å
734	Y	92.5	Very high	92.1	Very high	147 Å²	147	57 Å²	57	58%	0.576	28%	0.283	S	S	*	.	I	π-helix	trans	-120.3	-51.3	-168.7	-178.6	-94.9	0	0	0	114.2	S730 W732 K738	S730-Y734 WeakPolarHBondContact O-CB 3.41Å; S730-Y734 PolarHBondContact O-N 3.21Å; W732-Y734 VanDerWaalsContact C-N 3.32Å; W732-Y734 PolarHBondContact O-N 3.1Å; Y734-K738 HydrophobicContact CD1-CD 4.46Å; Y734-K738 HydrophobicContact CE1-CD 4.06Å; Y734-K738 WeakPolarHBondContact O-CG 3.3Å; Y734-K738 PolarHBondContact OH-NZ 2.97Å
735	L	93.7	Very high	91.1	Very high	54 Å²	54	65.8 Å²	65.8	28%	0.283	32%	0.315	S	S	.	.	I	π-helix	trans	-82	-44	-169.2	-173.7	56.8	0	0	0	111.9	Y731 A737 K738 Q739 W742	Y731-L735 HydrophobicContact CD2-CB 3.99Å; Y731-L735 HydrophobicContact CD2-CD2 3.81Å; Y731-L735 HydrophobicContact CD2-CG 4.19Å; Y731-L735 HydrophobicContact CE2-CB 4.35Å; Y731-L735 HydrophobicContact CE2-CD2 3.94Å; Y731-L735 HydrophobicContact CE2-CG 4.17Å; Y731-L735 CarbonylContact O-C 3.57Å; Y731-L735 WeakPolarHBondContact O-CA 3.39Å; Y731-L735 PolarHBondContact O-N 3.07Å; L735-A737 PolarHBondContact O-N 2.95Å; L735-K738 WeakPolarHBondContact O-CB 3.44Å; L735-K738 PolarHBondContact O-N 3.33Å; L735-K738 VanDerWaalsContact O-N 3.08Å; L735-Q739 HydrophobicContact CD1-CG 4.01Å; L735-Q739 HydrophobicContact CG-CG 3.96Å; L735-Q739 WeakPolarHBondContact O-CG 3.49Å; L735-Q739 PolarHBondContact O-N 3.02Å; L735-W742 HydrophobicContact CD1-CH2 3.91Å; L735-W742 HydrophobicContact CD1-CZ2 3.93Å
736	Y	93.7	Very high	90	Very high	6 Å²	6	72.5 Å²	72.5	2%	0.024	34%	0.342	C	S	.	.	I	π-helix	trans	-56.3	-51.7	-175.4	-171.8	-104.6	0	0	0	112.2	D508 I516 L520 Y731 W732 K738 Q739 L740	D508-Y736 PolarHBondContact OD2-OH 2.78Å; I516-Y736 HydrophobicContact CG2-CD2 4.15Å; I516-Y736 HydrophobicContact CG2-CE2 3.67Å; L520-Y736 HydrophobicContact CD1-CE2 4.3Å; L520-Y736 HydrophobicContact CD2-CE2 4.37Å; Y731-Y736 AromaticContact CE1-CD2 3.94Å; Y731-Y736 HydrophobicContact CE1-CD2 3.94Å; Y731-Y736 HydrophobicContact CE1-CG 4.5Å; Y731-Y736 PolarHBondContact O-N 3.08Å; W732-Y736 AromaticContact CE3-CD1 3.78Å; W732-Y736 HydrophobicContact CE3-CD1 3.78Å; W732-Y736 HydrophobicContact CE3-CD2 4.02Å; W732-Y736 HydrophobicContact CE3-CE1 4.27Å; W732-Y736 HydrophobicContact CE3-CE2 4.48Å; W732-Y736 AromaticContact CE3-CG 3.64Å; W732-Y736 HydrophobicContact CE3-CG 3.64Å; W732-Y736 HydrophobicContact CH2-CD2 4.31Å; W732-Y736 HydrophobicContact CH2-CE2 4.16Å; W732-Y736 AromaticContact CZ3-CD1 3.7Å; W732-Y736 HydrophobicContact CZ3-CD1 3.7Å; W732-Y736 AromaticContact CZ3-CD2 3.64Å; W732-Y736 HydrophobicContact CZ3-CD2 3.64Å; W732-Y736 AromaticContact CZ3-CE1 3.72Å; W732-Y736 HydrophobicContact CZ3-CE1 3.72Å; W732-Y736 AromaticContact CZ3-CE2 3.67Å; W732-Y736 HydrophobicContact CZ3-CE2 3.67Å; W732-Y736 AromaticContact CZ3-CG 3.65Å; W732-Y736 HydrophobicContact CZ3-CG 3.65Å; W732-Y736 AromaticContact CZ3-CZ 3.71Å; Y736-K738 PolarHBondContact O-N 3.4Å; Y736-Q739 WeakPolarHBondContact O-CB 3.39Å; Y736-Q739 PolarHBondContact O-N 2.8Å; Y736-L740 HydrophobicContact CD1-CD1 4.38Å; Y736-L740 HydrophobicContact CE1-CD1 4.15Å; Y736-L740 HydrophobicContact CE1-CD2 4.17Å; Y736-L740 HydrophobicContact CE1-CG 4.29Å; Y736-L740 PolarHBondContact O-N 3.44Å; Y736-L740 VanDerWaalsContact O-N 3.08Å
737	A	89.1	Confident	88.5	Confident	46 Å²	46	76 Å²	76	38%	0.38	37%	0.368	S	S	.	.	H	α-helix	trans	-59.4	-32.7	178.4	0	0	0	0	0	113.3	L735	L735-A737 PolarHBondContact O-N 2.95Å
738	K	91.1	Very high	87	Confident	91 Å²	91	75.7 Å²	75.7	40%	0.396	37%	0.365	S	S	.	.	H	α-helix	trans	-73.3	-40.1	174.6	-69.4	-178.6	174.4	-154	0	112	Y734 L735 Y736 L740 L741 W742	Y734-K738 HydrophobicContact CD1-CD 4.46Å; Y734-K738 HydrophobicContact CE1-CD 4.06Å; Y734-K738 WeakPolarHBondContact O-CG 3.3Å; Y734-K738 PolarHBondContact OH-NZ 2.97Å; L735-K738 WeakPolarHBondContact O-CB 3.44Å; L735-K738 PolarHBondContact O-N 3.33Å; L735-K738 VanDerWaalsContact O-N 3.08Å; Y736-K738 PolarHBondContact O-N 3.4Å; K738-L740 VanDerWaalsContact C-N 3.28Å; K738-L740 PolarHBondContact O-N 3.47Å; K738-L741 PolarHBondContact O-N 3.25Å; K738-L741 VanDerWaalsContact O-N 3.15Å; K738-W742 PolarHBondContact O-NE1 3.48Å
739	Q	92	Very high	85.3	Confident	8 Å²	8	80.2 Å²	80.2	4%	0.037	40%	0.395	C	S	.	.	H	α-helix	trans	-62.6	-35.2	179.7	-75.6	-174.5	-37.6	0	0	112.1	I516 S519 Y731 L735 Y736 L741 W742	I516-Q739 HydrophobicContact CD1-CB 3.83Å; I516-Q739 VanDerWaalsContact CD1-O 3.3Å; I516-Q739 WeakPolarHBondContact CD1-O 3.27Å; I516-Q739 HydrophobicContact CG1-CB 3.93Å; S519-Q739 PolarHBondContact OG-NE2 3.28Å; Y731-Q739 PolarHBondContact OH-OE1 2.92Å; L735-Q739 HydrophobicContact CD1-CG 4.01Å; L735-Q739 HydrophobicContact CG-CG 3.96Å; L735-Q739 WeakPolarHBondContact O-CG 3.49Å; L735-Q739 PolarHBondContact O-N 3.02Å; Y736-Q739 WeakPolarHBondContact O-CB 3.39Å; Y736-Q739 PolarHBondContact O-N 2.8Å; Q739-L741 PolarHBondContact O-N 3.31Å; Q739-W742 HydrophobicContact CB-CD2 4.39Å; Q739-W742 HydrophobicContact CB-CE3 4.3Å; Q739-W742 HydrophobicContact CG-CD2 4.05Å; Q739-W742 HydrophobicContact CG-CE3 3.73Å; Q739-W742 HydrophobicContact CG-CH2 3.69Å; Q739-W742 HydrophobicContact CG-CZ2 3.98Å; Q739-W742 HydrophobicContact CG-CZ3 3.56Å; Q739-W742 WeakPolarHBondContact O-CB 3.43Å; Q739-W742 PolarHBondContact O-N 3.46Å
740	L	90.9	Very high	83.6	Confident	4 Å²	4	86.1 Å²	86.1	2%	0.021	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-30.3	174.7	-68	176.6	0	0	0	112.6	L409 D508 A510 L511 I516 Y736 K738	L409-L740 HydrophobicContact CD1-CD1 4.04Å; L409-L740 HydrophobicContact CD2-CD1 4.19Å; D508-L740 HydrophobicContact CB-CD2 3.9Å; A510-L740 HydrophobicContact CB-CD2 3.92Å; L511-L740 PolarHBondContact N-O 3.15Å; L511-L740 VanDerWaalsContact N-O 3.1Å; I516-L740 HydrophobicContact CD1-CD2 3.97Å; Y736-L740 HydrophobicContact CD1-CD1 4.38Å; Y736-L740 HydrophobicContact CE1-CD1 4.15Å; Y736-L740 HydrophobicContact CE1-CD2 4.17Å; Y736-L740 HydrophobicContact CE1-CG 4.29Å; Y736-L740 PolarHBondContact O-N 3.44Å; Y736-L740 VanDerWaalsContact O-N 3.08Å; K738-L740 VanDerWaalsContact C-N 3.28Å; K738-L740 PolarHBondContact O-N 3.47Å
741	L	90	Very high	82	Confident	108 Å²	108	92.6 Å²	92.6	57%	0.565	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	1.3	-178.5	-54.7	176.9	0	0	0	113.8	K738 Q739	K738-L741 PolarHBondContact O-N 3.25Å; K738-L741 VanDerWaalsContact O-N 3.15Å; Q739-L741 PolarHBondContact O-N 3.31Å
742	W	88.3	Confident	80.5	Confident	128 Å²	128	95.6 Å²	95.6	49%	0.485	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-76.9	126.7	178.7	-71.1	-4	0	0	0	111.2	L511 D512 L735 K738 Q739	L511-W742 VanDerWaalsContact CB-O 3.31Å; L511-W742 WeakPolarHBondContact CB-O 3.31Å; D512-W742 PolarHBondContact N-O 3.43Å; L735-W742 HydrophobicContact CD1-CH2 3.91Å; L735-W742 HydrophobicContact CD1-CZ2 3.93Å; K738-W742 PolarHBondContact O-NE1 3.48Å; Q739-W742 HydrophobicContact CB-CD2 4.39Å; Q739-W742 HydrophobicContact CB-CE3 4.3Å; Q739-W742 HydrophobicContact CG-CD2 4.05Å; Q739-W742 HydrophobicContact CG-CE3 3.73Å; Q739-W742 HydrophobicContact CG-CH2 3.69Å; Q739-W742 HydrophobicContact CG-CZ2 3.98Å; Q739-W742 HydrophobicContact CG-CZ3 3.56Å; Q739-W742 WeakPolarHBondContact O-CB 3.43Å; Q739-W742 PolarHBondContact O-N 3.46Å
743	L	86.5	Confident	79.4	Confident	135 Å²	135	98 Å²	98	71%	0.707	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-66	146.8	172.6	-66	170.4	0	0	0	110.6	L511 R745	L511-L743 HydrophobicContact CD1-CD2 4.15Å; L743-R745 PolarHBondContact O-N 3.47Å
744	P	82.4	Confident	78.5	Confident	46 Å²	46	102.6 Å²	102.6	30%	0.299	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-59.6	138.8	175.8	24.7	-33.2	0	0	0	110.7	D512 Y746	D512-P744 HydrophobicContact CB-CB 4.28Å; P744-Y746 PolarHBondContact O-N 3.21Å
745	R	74.7	Confident	77.8	Confident	212 Å²	212	101 Å²	101	80%	0.8	52%	0.516	S	S	*	.	S	Bend	trans	-68.2	-16.7	-179	-81	-174.9	-93.6	-166.8	-6.7	114.1	L743	L743-R745 PolarHBondContact O-N 3.47Å
746	Y	70.6	Confident	77.1	Confident	196 Å²	196	103.4 Å²	103.4	77%	0.769	53%	0.529	S	S	*	.	S	Bend	trans	-109.8	133	174.3	-58.6	-78.9	0	0	0	108.8	P744 I748	P744-Y746 PolarHBondContact O-N 3.21Å; Y746-I748 PolarHBondContact O-N 3.26Å
747	P	60	Low	76.3	Confident	120 Å²	120	108 Å²	108	78%	0.779	55%	0.55	S	S	*	*			trans	-58.7	127.3	168.7	25.5	-31	0	0	0	107.7
748	I	60.6	Low	76	Confident	130 Å²	130	111 Å²	111	67%	0.667	56%	0.559	S	S	*	*			trans	-52.1	128.8	165.3	-54.9	166.7	0	0	0	105	Y746 T750	Y746-I748 PolarHBondContact O-N 3.26Å; I748-T750 PolarHBondContact O-N 2.99Å
749	P	59.6	Low	75.8	Confident	114 Å²	114	114.9 Å²	114.9	74%	0.74	57%	0.573	S	S	*	*			trans	-53.7	113.2	173.4	20.2	-29.1	0	0	0	106.4	M751	P749-M751 PolarHBondContact O-N 2.83Å
750	T	61.3	Low	75.5	Confident	126 Å²	126	121.1 Å²	121.1	77%	0.773	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-54.5	119.2	178.8	42.7	0	0	0	0	105.9	I748 I752	I748-T750 PolarHBondContact O-N 2.99Å; T750-I752 PolarHBondContact O-N 2.97Å
751	M	60.6	Low	75.4	Confident	183 Å²	183	126.8 Å²	126.8	90%	0.901	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-52.1	119.8	168.2	-71.6	-174	90.6	0	0	105	P749 P753	P749-M751 PolarHBondContact O-N 2.83Å; M751-P753 WeakPolarHBondContact O-CD 3.36Å; M751-P753 VanDerWaalsContact O-N 3.07Å
752	I	65.3	Low	75.4	Confident	71 Å²	71	124 Å²	124	36%	0.364	62%	0.618	S	S	.	*	P	Polyproline II helix	trans	-53.5	122.4	177.8	-60.2	174.8	0	0	0	105	T750 M754 L756 E757	T750-I752 PolarHBondContact O-N 2.97Å; I752-M754 PolarHBondContact O-N 3.33Å; I752-L756 HydrophobicContact CG2-CB 3.31Å; I752-L756 HydrophobicContact CG2-CD2 4.1Å; I752-L756 HydrophobicContact CG2-CG 4.35Å; I752-E757 HydrophobicContact CB-CG 4.28Å; I752-E757 HydrophobicContact CG2-CG 4.05Å
753	P	72.2	Confident	75.6	Confident	72 Å²	72	122.2 Å²	122.2	47%	0.468	62%	0.621	S	S	.	*	P	Polyproline II helix	trans	-49.4	138.9	175.3	-24.7	31.3	0	0	0	108.4	M751 D755 L756 E757	M751-P753 WeakPolarHBondContact O-CD 3.36Å; M751-P753 VanDerWaalsContact O-N 3.07Å; P753-D755 PolarHBondContact O-N 2.92Å; P753-L756 WeakPolarHBondContact O-CA 3.38Å; P753-L756 WeakPolarHBondContact O-CB 3.45Å; P753-L756 PolarHBondContact O-N 3.29Å; P753-E757 PolarHBondContact O-N 3.24Å
754	M	73.6	Confident	75.9	Confident	158 Å²	158	122.5 Å²	122.5	78%	0.778	62%	0.617	S	S	*	*	H	α-helix	trans	-50.8	-33.7	-178.8	-132.2	-172.7	-59.2	0	0	111.4	I752 L756 E757 I758	I752-M754 PolarHBondContact O-N 3.33Å; M754-L756 PolarHBondContact O-N 3.15Å; M754-E757 WeakPolarHBondContact O-CB 3.46Å; M754-E757 PolarHBondContact O-N 3.38Å; M754-I758 WeakPolarHBondContact O-CG1 3.47Å; M754-I758 PolarHBondContact O-N 2.77Å; M754-I758 VanDerWaalsContact O-N 3.15Å
755	D	77.8	Confident	76.5	Confident	114 Å²	114	123.3 Å²	123.3	61%	0.61	62%	0.624	S	S	*	*	H	α-helix	trans	-62.2	-38.7	174.7	-54.1	-32.8	0	0	0	113.4	P753 I758 Y759	P753-D755 PolarHBondContact O-N 2.92Å; D755-I758 PolarHBondContact O-N 2.98Å; D755-Y759 WeakPolarHBondContact O-CD2 3.32Å; D755-Y759 PolarHBondContact O-N 3.44Å
756	L	78	Confident	77.5	Confident	104 Å²	104	118.3 Å²	118.3	55%	0.545	61%	0.612	S	S	.	*	H	α-helix	trans	-72	-33.5	177	-116.4	86.3	0	0	0	112.2	I752 P753 M754 I758 Y759 R760	I752-L756 HydrophobicContact CG2-CB 3.31Å; I752-L756 HydrophobicContact CG2-CD2 4.1Å; I752-L756 HydrophobicContact CG2-CG 4.35Å; P753-L756 WeakPolarHBondContact O-CA 3.38Å; P753-L756 WeakPolarHBondContact O-CB 3.45Å; P753-L756 PolarHBondContact O-N 3.29Å; M754-L756 PolarHBondContact O-N 3.15Å; L756-I758 VanDerWaalsContact C-N 3.34Å; L756-Y759 PolarHBondContact O-N 3.43Å; L756-R760 WeakPolarHBondContact O-CB 3.21Å; L756-R760 PolarHBondContact O-N 3.31Å
757	E	78.7	Confident	78.7	Confident	102 Å²	102	110.8 Å²	110.8	48%	0.477	59%	0.594	S	S	.	*	H	α-helix	trans	-60.5	-46.5	172.1	-88.9	-100	136.3	0	0	110	I752 P753 M754 R760 L761	I752-E757 HydrophobicContact CB-CG 4.28Å; I752-E757 HydrophobicContact CG2-CG 4.05Å; P753-E757 PolarHBondContact O-N 3.24Å; M754-E757 WeakPolarHBondContact O-CB 3.46Å; M754-E757 PolarHBondContact O-N 3.38Å; E757-R760 PolarHBondContact O-N 2.81Å; E757-L761 WeakPolarHBondContact O-CB 3.4Å; E757-L761 PolarHBondContact O-N 3.48Å
758	I	82.7	Confident	80.4	Confident	110 Å²	110	106.6 Å²	106.6	56%	0.564	57%	0.573	S	S	*	*	H	α-helix	trans	-61.2	-46.4	175.2	-63.9	166.7	0	0	0	110.7	M754 D755 L756 R760 L761 A762	M754-I758 WeakPolarHBondContact O-CG1 3.47Å; M754-I758 PolarHBondContact O-N 2.77Å; M754-I758 VanDerWaalsContact O-N 3.15Å; D755-I758 PolarHBondContact O-N 2.98Å; L756-I758 VanDerWaalsContact C-N 3.34Å; I758-R760 VanDerWaalsContact C-N 3.34Å; I758-R760 PolarHBondContact O-N 2.96Å; I758-L761 PolarHBondContact O-N 3.32Å; I758-A762 VanDerWaalsContact O-CB 3.29Å; I758-A762 WeakPolarHBondContact O-CB 3.41Å; I758-A762 PolarHBondContact O-N 2.84Å
759	Y	85.9	Confident	82	Confident	172 Å²	172	105.9 Å²	105.9	68%	0.675	57%	0.57	S	S	*	*	H	α-helix	trans	-61.6	-40.5	177	-102.5	-81.3	0	0	0	112.5	D755 L756 A762 T763	D755-Y759 WeakPolarHBondContact O-CD2 3.32Å; D755-Y759 PolarHBondContact O-N 3.44Å; L756-Y759 PolarHBondContact O-N 3.43Å; Y759-A762 PolarHBondContact O-N 2.89Å; Y759-T763 WeakPolarHBondContact O-CB 3.14Å; Y759-T763 PolarHBondContact O-N 3.49Å; Y759-T763 PolarHBondContact O-OG1 3.45Å
760	R	85.2	Confident	83.7	Confident	138 Å²	138	104.9 Å²	104.9	52%	0.521	56%	0.558	S	S	.	*	H	α-helix	trans	-64.9	-44.5	177.9	-174.9	176.9	-175	-161.3	-3.9	110.6	L756 E757 I758 T763 F764	L756-R760 WeakPolarHBondContact O-CB 3.21Å; L756-R760 PolarHBondContact O-N 3.31Å; E757-R760 PolarHBondContact O-N 2.81Å; I758-R760 VanDerWaalsContact C-N 3.34Å; I758-R760 PolarHBondContact O-N 2.96Å; R760-T763 PolarHBondContact O-N 3.32Å; R760-F764 HydrophobicContact CG-CD2 3.78Å; R760-F764 HydrophobicContact CG-CE2 3.45Å; R760-F764 VanDerWaalsContact CG-CE2 3.45Å; R760-F764 HydrophobicContact CG-CZ 4.49Å; R760-F764 WeakPolarHBondContact O-CD2 3.23Å; R760-F764 PolarHBondContact O-N 3.46Å
761	L	88.5	Confident	85.3	Confident	124 Å²	124	105.6 Å²	105.6	65%	0.649	55%	0.551	S	S	*	*	H	α-helix	trans	-66	-42.2	177.7	-146.7	136.2	0	0	0	111.1	E757 I758 T763 F764 S765	E757-L761 WeakPolarHBondContact O-CB 3.4Å; E757-L761 PolarHBondContact O-N 3.48Å; I758-L761 PolarHBondContact O-N 3.32Å; L761-T763 PolarHBondContact O-N 3.44Å; L761-F764 PolarHBondContact O-N 2.92Å; L761-S765 WeakPolarHBondContact O-CB 3.4Å; L761-S765 PolarHBondContact O-N 2.97Å; L761-S765 PolarHBondContact O-OG 2.84Å
762	A	89.9	Confident	87	Confident	50 Å²	50	101.4 Å²	101.4	41%	0.413	53%	0.531	S	S	.	.	H	α-helix	trans	-61.4	-40.6	172.8	0	0	0	0	0	112.5	I758 Y759 S765 L766	I758-A762 VanDerWaalsContact O-CB 3.29Å; I758-A762 WeakPolarHBondContact O-CB 3.41Å; I758-A762 PolarHBondContact O-N 2.84Å; Y759-A762 PolarHBondContact O-N 2.89Å; A762-S765 VanDerWaalsContact CA-OG 3.23Å; A762-S765 WeakPolarHBondContact CA-OG 3.44Å; A762-S765 PolarHBondContact O-OG 3.46Å; A762-L766 VanDerWaalsContact O-CB 3.28Å; A762-L766 WeakPolarHBondContact O-CB 3.36Å; A762-L766 PolarHBondContact O-N 3.34Å
763	T	93	Very high	88.4	Confident	89 Å²	89	102.4 Å²	102.4	55%	0.546	54%	0.537	S	S	.	.	H	α-helix	trans	-67.9	-44.2	178.6	-55	0	0	0	0	111.5	Y759 R760 L761 L766 G767	Y759-T763 WeakPolarHBondContact O-CB 3.14Å; Y759-T763 PolarHBondContact O-N 3.49Å; Y759-T763 PolarHBondContact O-OG1 3.45Å; R760-T763 PolarHBondContact O-N 3.32Å; L761-T763 PolarHBondContact O-N 3.44Å; T763-L766 PolarHBondContact O-N 2.67Å; T763-G767 PolarHBondContact O-N 3.46Å
764	F	93.9	Very high	89.5	Confident	142 Å²	142	102.6 Å²	102.6	62%	0.623	54%	0.539	S	S	*	.	H	α-helix	trans	-66.8	-39.3	177.1	-76.9	-55.5	0	0	0	112.8	R760 L761 G767 G768	R760-F764 HydrophobicContact CG-CD2 3.78Å; R760-F764 HydrophobicContact CG-CE2 3.45Å; R760-F764 VanDerWaalsContact CG-CE2 3.45Å; R760-F764 HydrophobicContact CG-CZ 4.49Å; R760-F764 WeakPolarHBondContact O-CD2 3.23Å; R760-F764 PolarHBondContact O-N 3.46Å; L761-F764 PolarHBondContact O-N 2.92Å; F764-G767 PolarHBondContact O-N 2.93Å; F764-G768 PolarHBondContact O-N 2.69Å
765	S	94.6	Very high	90.5	Very high	63 Å²	63	98.7 Å²	98.7	44%	0.441	52%	0.52	S	S	.	.	H	α-helix	trans	-66.4	-42.5	175.4	45.7	0	0	0	0	112.1	L761 A762 G768 L769	L761-S765 WeakPolarHBondContact O-CB 3.4Å; L761-S765 PolarHBondContact O-N 2.97Å; L761-S765 PolarHBondContact O-OG 2.84Å; A762-S765 VanDerWaalsContact CA-OG 3.23Å; A762-S765 WeakPolarHBondContact CA-OG 3.44Å; A762-S765 PolarHBondContact O-OG 3.46Å; S765-G768 PolarHBondContact O-N 3.28Å; S765-L769 WeakPolarHBondContact O-CG 3.29Å; S765-L769 PolarHBondContact O-N 2.93Å
766	L	95.5	Very high	91.4	Very high	106 Å²	106	97.2 Å²	97.2	56%	0.555	51%	0.511	S	S	*	.	H	α-helix	trans	-62.8	-43.9	173.2	-174.9	66.8	0	0	0	111.7	A762 T763 G768 L769 L770	A762-L766 VanDerWaalsContact O-CB 3.28Å; A762-L766 WeakPolarHBondContact O-CB 3.36Å; A762-L766 PolarHBondContact O-N 3.34Å; T763-L766 PolarHBondContact O-N 2.67Å; L766-G768 VanDerWaalsContact C-N 3.33Å; L766-G768 PolarHBondContact O-N 2.95Å; L766-L769 PolarHBondContact O-N 2.92Å; L766-L770 HydrophobicContact CG-CD1 4.25Å; L766-L770 WeakPolarHBondContact O-CG 3.37Å; L766-L770 PolarHBondContact O-N 2.99Å
767	G	95.3	Very high	92.2	Very high	38 Å²	38	96.1 Å²	96.1	39%	0.392	51%	0.505	S	S	.	.	H	α-helix	trans	-60.4	-41.5	175.5	0	0	0	0	0	112.6	T763 F764 L770 F771	T763-G767 PolarHBondContact O-N 3.46Å; F764-G767 PolarHBondContact O-N 2.93Å; G767-L770 PolarHBondContact O-N 2.87Å; G767-F771 WeakPolarHBondContact O-CB 3.28Å; G767-F771 PolarHBondContact O-N 3.48Å
768	G	95.4	Very high	92.9	Very high	33 Å²	33	96.8 Å²	96.8	34%	0.34	51%	0.51	S	S	.	.	H	α-helix	trans	-63.5	-43.6	174.2	0	0	0	0	0	112.9	F764 S765 L766 F771 I772	F764-G768 PolarHBondContact O-N 2.69Å; S765-G768 PolarHBondContact O-N 3.28Å; L766-G768 VanDerWaalsContact C-N 3.33Å; L766-G768 PolarHBondContact O-N 2.95Å; G768-F771 PolarHBondContact O-N 3.33Å; G768-I772 WeakPolarHBondContact O-CG1 3.32Å; G768-I772 PolarHBondContact O-N 3.02Å
769	L	95.4	Very high	93.5	Very high	114 Å²	114	96.3 Å²	96.3	60%	0.597	51%	0.508	S	S	*	.	H	α-helix	trans	-62.9	-43.5	176.1	-75.9	168.8	0	0	0	112.1	S765 L766 F771 I772 L773	S765-L769 WeakPolarHBondContact O-CG 3.29Å; S765-L769 PolarHBondContact O-N 2.93Å; L766-L769 PolarHBondContact O-N 2.92Å; L769-F771 VanDerWaalsContact C-N 3.33Å; L769-F771 PolarHBondContact O-N 2.88Å; L769-I772 PolarHBondContact O-N 3.28Å; L769-L773 WeakPolarHBondContact O-CB 3.47Å; L769-L773 PolarHBondContact O-N 3.48Å
770	L	95.4	Very high	93.8	Very high	94 Å²	94	93.4 Å²	93.4	49%	0.492	50%	0.503	S	S	.	.	H	α-helix	trans	-63.1	-40.1	176.2	-73.7	170.7	0	0	0	111.7	L766 G767 L773 C774	L766-L770 HydrophobicContact CG-CD1 4.25Å; L766-L770 WeakPolarHBondContact O-CG 3.37Å; L766-L770 PolarHBondContact O-N 2.99Å; G767-L770 PolarHBondContact O-N 2.87Å; L770-L773 WeakPolarHBondContact O-CB 3.49Å; L770-L773 PolarHBondContact O-N 2.95Å; L770-C774 PolarHBondContact O-N 3.19Å; L770-C774 PolarHBondContact O-SG 3.45Å; L770-C774 VanDerWaalsContact O-SG 3.35Å
771	F	95.3	Very high	94.2	Very high	141 Å²	141	91.1 Å²	91.1	62%	0.618	50%	0.501	S	S	*	.	H	α-helix	trans	-62.7	-44.4	175.9	-176.7	-104	0	0	0	112.2	G767 G768 L769 L773 C774 I775	G767-F771 WeakPolarHBondContact O-CB 3.28Å; G767-F771 PolarHBondContact O-N 3.48Å; G768-F771 PolarHBondContact O-N 3.33Å; L769-F771 VanDerWaalsContact C-N 3.33Å; L769-F771 PolarHBondContact O-N 2.88Å; F771-L773 VanDerWaalsContact C-N 3.34Å; F771-L773 PolarHBondContact O-N 3.21Å; F771-C774 PolarHBondContact O-N 3.04Å; F771-I775 HydrophobicContact CD1-CD1 3.85Å; F771-I775 HydrophobicContact CE1-CD1 3.38Å; F771-I775 HydrophobicContact CE1-CG1 4.38Å; F771-I775 HydrophobicContact CZ-CD1 3.83Å; F771-I775 WeakPolarHBondContact O-CG1 3.47Å; F771-I775 PolarHBondContact O-N 3.31Å
772	I	95.2	Very high	94.3	Very high	95 Å²	95	89.5 Å²	89.5	49%	0.487	49%	0.492	S	S	.	.	H	α-helix	trans	-61.8	-43.6	175	-67.9	167.5	0	0	0	110.7	G768 L769 C774 I775 I776	G768-I772 WeakPolarHBondContact O-CG1 3.32Å; G768-I772 PolarHBondContact O-N 3.02Å; L769-I772 PolarHBondContact O-N 3.28Å; I772-C774 VanDerWaalsContact C-N 3.35Å; I772-C774 PolarHBondContact O-N 3.43Å; I772-I775 PolarHBondContact O-N 2.93Å; I772-I776 HydrophobicContact CG2-CD1 3.91Å; I772-I776 HydrophobicContact CG2-CG1 4.48Å; I772-I776 WeakPolarHBondContact O-CG1 3.4Å; I772-I776 PolarHBondContact O-N 3.49Å
773	L	95.4	Very high	94.3	Very high	92 Å²	92	91.1 Å²	91.1	48%	0.482	50%	0.497	S	S	.	.	H	α-helix	trans	-59.3	-45	176.8	-167.9	89.5	0	0	0	111.4	L769 L770 F771 I775 I776 I777	L769-L773 WeakPolarHBondContact O-CB 3.47Å; L769-L773 PolarHBondContact O-N 3.48Å; L770-L773 WeakPolarHBondContact O-CB 3.49Å; L770-L773 PolarHBondContact O-N 2.95Å; F771-L773 VanDerWaalsContact C-N 3.34Å; F771-L773 PolarHBondContact O-N 3.21Å; L773-I775 VanDerWaalsContact C-N 3.33Å; L773-I775 PolarHBondContact O-N 3.49Å; L773-I776 PolarHBondContact O-N 3.35Å; L773-I777 HydrophobicContact CD2-CD1 4.11Å; L773-I777 HydrophobicContact CG-CD1 4.07Å; L773-I777 VanDerWaalsContact O-CG1 3.32Å; L773-I777 WeakPolarHBondContact O-CG1 3.42Å; L773-I777 PolarHBondContact O-N 3.49Å
774	C	95.3	Very high	94.2	Very high	75 Å²	75	93.8 Å²	93.8	51%	0.507	50%	0.498	S	S	.	.	H	α-helix	trans	-59.9	-41.8	175.8	-73.1	0	0	0	0	112	L770 F771 I772 I777 M778	L770-C774 PolarHBondContact O-N 3.19Å; L770-C774 PolarHBondContact O-SG 3.45Å; L770-C774 VanDerWaalsContact O-SG 3.35Å; F771-C774 PolarHBondContact O-N 3.04Å; I772-C774 VanDerWaalsContact C-N 3.35Å; I772-C774 PolarHBondContact O-N 3.43Å; C774-I777 PolarHBondContact O-N 3.28Å; C774-M778 WeakPolarHBondContact O-CB 3.33Å; C774-M778 VanDerWaalsContact O-CG 3.26Å; C774-M778 WeakPolarHBondContact O-CG 3.42Å; C774-M778 PolarHBondContact O-N 3.47Å
775	I	95	Very high	93.9	Very high	76 Å²	76	90.5 Å²	90.5	39%	0.39	49%	0.492	S	S	.	.	H	α-helix	trans	-61.9	-45.2	175.1	-70.3	172.8	0	0	0	110.9	F771 I772 L773 I777 M778 L779	F771-I775 HydrophobicContact CD1-CD1 3.85Å; F771-I775 HydrophobicContact CE1-CD1 3.38Å; F771-I775 HydrophobicContact CE1-CG1 4.38Å; F771-I775 HydrophobicContact CZ-CD1 3.83Å; F771-I775 WeakPolarHBondContact O-CG1 3.47Å; F771-I775 PolarHBondContact O-N 3.31Å; I772-I775 PolarHBondContact O-N 2.93Å; L773-I775 VanDerWaalsContact C-N 3.33Å; L773-I775 PolarHBondContact O-N 3.49Å; I775-I777 PolarHBondContact O-N 3.3Å; I775-M778 PolarHBondContact O-N 2.93Å; I775-L779 HydrophobicContact CG2-CD1 3.88Å; I775-L779 HydrophobicContact CG2-CG 4.35Å; I775-L779 WeakPolarHBondContact O-CB 3.37Å; I775-L779 VanDerWaalsContact O-CG 3.32Å; I775-L779 WeakPolarHBondContact O-CG 3.32Å; I775-L779 PolarHBondContact O-N 3.34Å
776	I	95.1	Very high	93.5	Very high	83 Å²	83	96.1 Å²	96.1	43%	0.426	50%	0.503	S	S	.	.	H	α-helix	trans	-61.2	-45.6	178.3	-67.8	168	0	0	0	110.6	I772 L773 M778 L779 L780	I772-I776 HydrophobicContact CG2-CD1 3.91Å; I772-I776 HydrophobicContact CG2-CG1 4.48Å; I772-I776 WeakPolarHBondContact O-CG1 3.4Å; I772-I776 PolarHBondContact O-N 3.49Å; L773-I776 PolarHBondContact O-N 3.35Å; I776-M778 VanDerWaalsContact C-N 3.34Å; I776-M778 PolarHBondContact O-N 2.92Å; I776-L779 PolarHBondContact O-N 3.39Å; I776-L780 HydrophobicContact CG2-CD1 3.93Å; I776-L780 HydrophobicContact CG2-CG 4.35Å; I776-L780 WeakPolarHBondContact O-CB 3.46Å; I776-L780 VanDerWaalsContact O-CG 3.31Å; I776-L780 WeakPolarHBondContact O-CG 3.31Å; I776-L780 PolarHBondContact O-N 2.86Å
777	I	95	Very high	93.1	Very high	81 Å²	81	99.7 Å²	99.7	42%	0.415	51%	0.509	S	S	.	.	H	α-helix	trans	-61.2	-44.3	177.5	-68.7	166.6	0	0	0	110.6	L773 C774 I775 L779 L780 L781	L773-I777 HydrophobicContact CD2-CD1 4.11Å; L773-I777 HydrophobicContact CG-CD1 4.07Å; L773-I777 VanDerWaalsContact O-CG1 3.32Å; L773-I777 WeakPolarHBondContact O-CG1 3.42Å; L773-I777 PolarHBondContact O-N 3.49Å; C774-I777 PolarHBondContact O-N 3.28Å; I775-I777 PolarHBondContact O-N 3.3Å; I777-L779 PolarHBondContact O-N 2.91Å; I777-L780 PolarHBondContact O-N 3.35Å; I777-L781 HydrophobicContact CG2-CD1 3.95Å; I777-L781 HydrophobicContact CG2-CG 4.43Å; I777-L781 WeakPolarHBondContact O-CB 3.26Å; I777-L781 WeakPolarHBondContact O-CG 3.26Å; I777-L781 PolarHBondContact O-N 2.92Å
778	M	94.2	Very high	92.5	Very high	116 Å²	116	104.8 Å²	104.8	57%	0.571	52%	0.517	S	S	*	.	H	α-helix	trans	-61.9	-43.3	176.7	-74.6	-65.3	-68.9	0	0	111.9	C774 I775 I776 L781 I782	C774-M778 WeakPolarHBondContact O-CB 3.33Å; C774-M778 VanDerWaalsContact O-CG 3.26Å; C774-M778 WeakPolarHBondContact O-CG 3.42Å; C774-M778 PolarHBondContact O-N 3.47Å; I775-M778 PolarHBondContact O-N 2.93Å; I776-M778 VanDerWaalsContact C-N 3.34Å; I776-M778 PolarHBondContact O-N 2.92Å; M778-L781 PolarHBondContact O-N 2.85Å; M778-I782 VanDerWaalsContact O-CG1 3.26Å; M778-I782 WeakPolarHBondContact O-CG1 3.34Å; M778-I782 PolarHBondContact O-N 3.31Å
779	L	94	Very high	91.7	Very high	101 Å²	101	111.2 Å²	111.2	53%	0.529	54%	0.536	S	S	.	.	H	α-helix	trans	-63.3	-43.9	175.6	-72.1	170.7	0	0	0	111.6	I775 I776 I777 L781 I782 V783	I775-L779 HydrophobicContact CG2-CD1 3.88Å; I775-L779 HydrophobicContact CG2-CG 4.35Å; I775-L779 WeakPolarHBondContact O-CB 3.37Å; I775-L779 VanDerWaalsContact O-CG 3.32Å; I775-L779 WeakPolarHBondContact O-CG 3.32Å; I775-L779 PolarHBondContact O-N 3.34Å; I776-L779 PolarHBondContact O-N 3.39Å; I777-L779 PolarHBondContact O-N 2.91Å; L779-L781 VanDerWaalsContact C-N 3.35Å; L779-L781 PolarHBondContact O-N 3.43Å; L779-I782 PolarHBondContact O-N 3.48Å; L779-V783 WeakPolarHBondContact O-CG2 3.5Å; L779-V783 PolarHBondContact O-N 2.9Å
780	L	93.8	Very high	90.8	Very high	110 Å²	110	111.8 Å²	111.8	58%	0.576	54%	0.538	S	S	*	.	H	α-helix	trans	-62.5	-40.5	175.7	-72.9	172.3	0	0	0	111.9	I776 I777 V783 Y784	I776-L780 HydrophobicContact CG2-CD1 3.93Å; I776-L780 HydrophobicContact CG2-CG 4.35Å; I776-L780 WeakPolarHBondContact O-CB 3.46Å; I776-L780 VanDerWaalsContact O-CG 3.31Å; I776-L780 WeakPolarHBondContact O-CG 3.31Å; I776-L780 PolarHBondContact O-N 2.86Å; I777-L780 PolarHBondContact O-N 3.35Å; L780-V783 PolarHBondContact O-N 2.84Å; L780-Y784 VanDerWaalsContact O-CB 3.29Å; L780-Y784 WeakPolarHBondContact O-CB 3.35Å; L780-Y784 PolarHBondContact O-N 3.48Å
781	L	92.5	Very high	89.8	Confident	91 Å²	91	114.4 Å²	114.4	48%	0.476	55%	0.552	S	S	.	*	H	α-helix	trans	-64.3	-40.6	174.5	-76.9	169.5	0	0	0	111.8	I777 M778 L779 Y784 C785	I777-L781 HydrophobicContact CG2-CD1 3.95Å; I777-L781 HydrophobicContact CG2-CG 4.43Å; I777-L781 WeakPolarHBondContact O-CB 3.26Å; I777-L781 WeakPolarHBondContact O-CG 3.26Å; I777-L781 PolarHBondContact O-N 2.92Å; M778-L781 PolarHBondContact O-N 2.85Å; L779-L781 VanDerWaalsContact C-N 3.35Å; L779-L781 PolarHBondContact O-N 3.43Å; L781-Y784 PolarHBondContact O-N 3.31Å; L781-C785 VanDerWaalsContact O-CB 3.32Å; L781-C785 WeakPolarHBondContact O-CB 3.45Å; L781-C785 PolarHBondContact O-N 2.89Å; L781-C785 PolarHBondContact O-SG 3.35Å; L781-C785 VanDerWaalsContact O-SG 3.33Å
782	I	91.2	Very high	88.7	Confident	89 Å²	89	113.9 Å²	113.9	46%	0.456	55%	0.554	S	S	.	*	H	α-helix	trans	-62.1	-47.1	174	-69.6	164	0	0	0	110.3	M778 L779 Y784 C785 R786	M778-I782 VanDerWaalsContact O-CG1 3.26Å; M778-I782 WeakPolarHBondContact O-CG1 3.34Å; M778-I782 PolarHBondContact O-N 3.31Å; L779-I782 PolarHBondContact O-N 3.48Å; I782-Y784 VanDerWaalsContact C-N 3.35Å; I782-Y784 PolarHBondContact O-N 3.25Å; I782-C785 PolarHBondContact O-N 3.33Å; I782-R786 WeakPolarHBondContact O-CG 3.29Å; I782-R786 PolarHBondContact O-N 2.8Å
783	V	90.4	Very high	86.9	Confident	85 Å²	85	115.9 Å²	115.9	52%	0.515	58%	0.577	S	S	.	*	H	α-helix	trans	-61.1	-44.2	177.1	171.4	0	0	0	0	110.9	L779 L780 R786 R787	L779-V783 WeakPolarHBondContact O-CG2 3.5Å; L779-V783 PolarHBondContact O-N 2.9Å; L780-V783 PolarHBondContact O-N 2.84Å; V783-R786 PolarHBondContact O-N 2.87Å; V783-R787 WeakPolarHBondContact O-CB 3.32Å; V783-R787 PolarHBondContact O-N 3.39Å
784	Y	89.9	Confident	86.5	Confident	144 Å²	144	117.1 Å²	117.1	57%	0.565	58%	0.581	S	S	*	*	H	α-helix	trans	-60.9	-47.5	176.3	177.4	-96.7	0	0	0	111.7	L780 L781 I782 R786 R787 R788	L780-Y784 VanDerWaalsContact O-CB 3.29Å; L780-Y784 WeakPolarHBondContact O-CB 3.35Å; L780-Y784 PolarHBondContact O-N 3.48Å; L781-Y784 PolarHBondContact O-N 3.31Å; I782-Y784 VanDerWaalsContact C-N 3.35Å; I782-Y784 PolarHBondContact O-N 3.25Å; Y784-R786 VanDerWaalsContact C-N 3.34Å; Y784-R786 PolarHBondContact O-N 3.34Å; Y784-R787 PolarHBondContact O-N 3.01Å; Y784-R788 WeakPolarHBondContact O-CB 3.49Å; Y784-R788 PolarHBondContact O-N 3.2Å
785	C	87.6	Confident	86.1	Confident	74 Å²	74	119.3 Å²	119.3	50%	0.5	59%	0.585	S	S	.	*	H	α-helix	trans	-61.9	-39	176.2	-76.9	0	0	0	0	112.4	L781 I782 K789	L781-C785 VanDerWaalsContact O-CB 3.32Å; L781-C785 WeakPolarHBondContact O-CB 3.45Å; L781-C785 PolarHBondContact O-N 2.89Å; L781-C785 PolarHBondContact O-SG 3.35Å; L781-C785 VanDerWaalsContact O-SG 3.33Å; I782-C785 PolarHBondContact O-N 3.33Å; C785-K789 PolarHBondContact O-N 3.1Å
786	R	87.2	Confident	85.6	Confident	181 Å²	181	121.7 Å²	121.7	68%	0.683	60%	0.596	S	S	*	*	H	α-helix	trans	-67.2	-43.7	175.1	-71.1	-175.9	94.8	171.6	6.9	111.8	I782 V783 Y784 K789 L790	I782-R786 WeakPolarHBondContact O-CG 3.29Å; I782-R786 PolarHBondContact O-N 2.8Å; V783-R786 PolarHBondContact O-N 2.87Å; Y784-R786 VanDerWaalsContact C-N 3.34Å; Y784-R786 PolarHBondContact O-N 3.34Å; R786-K789 PolarHBondContact O-N 3.49Å; R786-L790 WeakPolarHBondContact O-CG 3.35Å; R786-L790 PolarHBondContact O-N 3.3Å; R786-L790 VanDerWaalsContact O-N 3.1Å
787	R	85.8	Confident	85	Confident	180 Å²	180	123.9 Å²	123.9	68%	0.679	61%	0.606	S	S	*	*	H	α-helix	trans	-63.2	-41.4	174.3	-98.1	-172.6	159.1	-169.4	-4.8	112.4	V783 Y784 L790 L791	V783-R787 WeakPolarHBondContact O-CB 3.32Å; V783-R787 PolarHBondContact O-N 3.39Å; Y784-R787 PolarHBondContact O-N 3.01Å; R787-L790 WeakPolarHBondContact O-CB 3.5Å; R787-L790 PolarHBondContact O-N 3.39Å; R787-L791 PolarHBondContact O-N 3.39Å
788	R	83.4	Confident	84.4	Confident	146 Å²	146	126.6 Å²	126.6	55%	0.551	62%	0.618	S	S	*	*	H	α-helix	trans	-64.5	-39.9	177.2	-171.6	179.4	176.2	-162	-0.3	111.6	Y784 L790 L791 I792	Y784-R788 WeakPolarHBondContact O-CB 3.49Å; Y784-R788 PolarHBondContact O-N 3.2Å; R788-L790 VanDerWaalsContact C-N 3.33Å; R788-L790 PolarHBondContact O-N 3.32Å; R788-L791 PolarHBondContact O-N 3.1Å; R788-I792 HydrophobicContact CG-CD1 3.81Å; R788-I792 VanDerWaalsContact O-CG1 3.29Å; R788-I792 WeakPolarHBondContact O-CG1 3.29Å; R788-I792 PolarHBondContact O-N 3.36Å; R788-I792 VanDerWaalsContact O-N 3.17Å
789	K	78.5	Confident	83.7	Confident	168 Å²	168	127.3 Å²	127.3	73%	0.73	62%	0.621	S	S	*	*	H	α-helix	trans	-61.1	-40.5	172.1	-80.5	-173.2	176.4	-174.8	0	112.2	C785 R786 L791 I792 S793	C785-K789 PolarHBondContact O-N 3.1Å; R786-K789 PolarHBondContact O-N 3.49Å; K789-L791 VanDerWaalsContact C-N 3.32Å; K789-L791 PolarHBondContact O-N 2.81Å; K789-I792 PolarHBondContact O-N 3.02Å; K789-S793 PolarHBondContact O-N 3.47Å; K789-S793 VanDerWaalsContact O-N 3.1Å; K789-S793 PolarHBondContact O-OG 3.17Å
790	L	76.9	Confident	83	Confident	125 Å²	125	129.2 Å²	129.2	65%	0.654	63%	0.628	S	S	*	*	H	α-helix	trans	-69.2	-23.3	176.7	-75.5	164.8	0	0	0	114.4	R786 R787 R788 S793	R786-L790 WeakPolarHBondContact O-CG 3.35Å; R786-L790 PolarHBondContact O-N 3.3Å; R786-L790 VanDerWaalsContact O-N 3.1Å; R787-L790 WeakPolarHBondContact O-CB 3.5Å; R787-L790 PolarHBondContact O-N 3.39Å; R788-L790 VanDerWaalsContact C-N 3.33Å; R788-L790 PolarHBondContact O-N 3.32Å; L790-S793 PolarHBondContact O-OG 3.28Å
791	L	74.9	Confident	82.2	Confident	150 Å²	150	130.7 Å²	130.7	79%	0.785	63%	0.632	S	S	*	*	H	α-helix	trans	-88.1	-17.3	176	-75.8	165.3	0	0	0	113	R787 R788 K789	R787-L791 PolarHBondContact O-N 3.39Å; R788-L791 PolarHBondContact O-N 3.1Å; K789-L791 VanDerWaalsContact C-N 3.32Å; K789-L791 PolarHBondContact O-N 2.81Å
792	I	72.2	Confident	81.3	Confident	129 Å²	129	134 Å²	134	66%	0.662	65%	0.645	S	S	*	*	H	α-helix	trans	-95	-26.1	178.8	-66.2	169	0	0	0	111.2	R788 K789	R788-I792 HydrophobicContact CG-CD1 3.81Å; R788-I792 VanDerWaalsContact O-CG1 3.29Å; R788-I792 WeakPolarHBondContact O-CG1 3.29Å; R788-I792 PolarHBondContact O-N 3.36Å; R788-I792 VanDerWaalsContact O-N 3.17Å; K789-I792 PolarHBondContact O-N 3.02Å
793	S	57.6	Low	80.4	Confident	137 Å²	137	138.1 Å²	138.1	96%	0.958	66%	0.662	S	S	*	*			trans	-79.5	0	165.4	65.7	0	0	0	0	110.9	K789 L790	K789-S793 PolarHBondContact O-N 3.47Å; K789-S793 VanDerWaalsContact O-N 3.1Å; K789-S793 PolarHBondContact O-OG 3.17Å; L790-S793 PolarHBondContact O-OG 3.28Å

Retrieved 793 of 793 residues in 368.2 ms (Link to these results)

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