A0A087XYZ7_POEFO Loading...

Small nuclear ribonucleoprotein polypeptide B2

AlphaFold DB (A0A3B3TTB8), UniProt , Accession A0A087XYZ7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 220 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.7	Very low	88.2	Confident	193 Å²	193	73.5 Å²	73.5	95%	0.951	35%	0.354	S	S	*	.				0	105.9	0	-82.7	-171.5	175.7	0	0	107.9	I3 M160	M1-I3 PolarHBondContact O-N 3.33Å; M1-M160 HydrophobicContact CE-CE 4.2Å; M1-M160 HydrophobicContact CE-SD 3.75Å
2	D	69.5	Low	88.8	Confident	163 Å²	163	71.1 Å²	71.1	87%	0.872	34%	0.344	S	S	*	.			trans	-77.8	118.4	179.9	-58.6	-80.2	0	0	0	110.3	R4	D2-R4 PolarHBondContact O-N 2.95Å
3	I	85.9	Confident	89.4	Confident	63 Å²	63	70.5 Å²	70.5	32%	0.323	34%	0.343	S	S	.	.			trans	-83.4	107.5	-179.8	-46.7	179.9	0	0	0	107.6	M1	M1-I3 PolarHBondContact O-N 3.33Å
4	R	91.1	Very high	89.7	Confident	216 Å²	216	65.5 Å²	65.5	82%	0.815	32%	0.319	S	S	*	.			trans	-55.7	146.9	178.3	-62.2	-171.6	-63.9	-167.8	-0.6	111.2	D2 N6	D2-R4 PolarHBondContact O-N 2.95Å; R4-N6 PolarHBondContact O-N 3.39Å
5	P	94.9	Very high	90	Very high	79 Å²	79	63.5 Å²	63.5	51%	0.513	31%	0.311	S	S	.	.			trans	-51.1	132.4	175.6	-28.2	35.8	0	0	0	112.6	L59 Y83	P5-L59 HydrophobicContact CB-CD1 3.85Å; P5-L59 HydrophobicContact CB-CD2 4.31Å; P5-L59 HydrophobicContact CB-CG 4.37Å; P5-Y83 HydrophobicContact CB-CE1 4.34Å; P5-Y83 HydrophobicContact CB-CE2 4.19Å; P5-Y83 HydrophobicContact CG-CE2 4.25Å
6	N	95.6	Very high	90.2	Very high	11 Å²	11	62.9 Å²	62.9	6%	0.059	31%	0.309	C	S	.	.			trans	-130.5	149.3	179.5	-156.7	-63.4	0	0	0	110.7	R4 T8 A62 Y83 D87	R4-N6 PolarHBondContact O-N 3.39Å; N6-T8 PolarHBondContact O-N 2.89Å; N6-T8 PolarHBondContact OD1-N 3.01Å; N6-A62 VanDerWaalsContact O-CB 3.26Å; N6-A62 WeakPolarHBondContact O-CB 3.35Å; N6-Y83 HydrophobicContact CB-CD1 4.33Å; N6-Y83 HydrophobicContact CB-CG 4.5Å; N6-Y83 WeakPolarHBondContact O-CD1 3.31Å; N6-D87 PolarHBondContact ND2-OD1 3.3Å
7	H	95.8	Very high	90.4	Very high	40 Å²	40	69.5 Å²	69.5	19%	0.185	34%	0.336	C	S	.	.	S	Bend	trans	-67.1	-22.9	174	-64.4	50.5	0	0	0	111.4	F56 K57 I91	H7-F56 PolarHBondContact O-N 2.79Å; H7-K57 PolarHBondContact CD2-O 2.87Å; H7-I91 HydrophobicContact CB-CD1 3.93Å; H7-I91 HydrophobicContact CB-CG1 4.15Å
8	T	97.1	Very high	90.6	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	125.1	172.7	-51.1	0	0	0	0	110.5	N6 F53 V54 V55 A84 S88	N6-T8 PolarHBondContact O-N 2.89Å; N6-T8 PolarHBondContact OD1-N 3.01Å; T8-F53 HydrophobicContact CG2-CB 3.83Å; T8-F53 HydrophobicContact CG2-CD1 3.96Å; T8-F53 HydrophobicContact CG2-CG 4.38Å; T8-V54 WeakPolarHBondContact CA-O 3.42Å; T8-V55 HydrophobicContact CG2-CG2 4.04Å; T8-A84 HydrophobicContact CG2-CB 3.81Å; T8-A84 WeakPolarHBondContact O-CB 3.39Å; T8-A84 PolarHBondContact O-N 3.14Å; T8-S88 WeakPolarHBondContact CB-OG 3.37Å; T8-S88 WeakPolarHBondContact CG2-OG 3.5Å; T8-S88 WeakPolarHBondContact OG1-CB 3.32Å; T8-S88 PolarHBondContact OG1-OG 3.12Å
9	V	97.6	Very high	90.9	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	135.1	165.2	-62.8	0	0	0	0	110.1	I11 F31 F53 V54 F56 A62 L66 I81 Q82	V9-I11 HydrophobicContact CG2-CG1 4.44Å; V9-F31 HydrophobicContact CG2-CD1 4.4Å; V9-F31 HydrophobicContact CG2-CE1 4.04Å; V9-F53 CarbonylContact O-C 3.55Å; V9-F53 VanDerWaalsContact O-CA 3.29Å; V9-F53 WeakPolarHBondContact O-CA 3.48Å; V9-V54 HydrophobicContact CG2-CB 3.83Å; V9-V54 PolarHBondContact N-O 2.7Å; V9-V54 PolarHBondContact O-N 2.87Å; V9-F56 HydrophobicContact CG2-CE2 4.18Å; V9-A62 HydrophobicContact CG1-CB 3.96Å; V9-L66 HydrophobicContact CG1-CB 4.33Å; V9-I81 HydrophobicContact CB-CG2 3.85Å; V9-I81 HydrophobicContact CG1-CG2 4.27Å; V9-I81 HydrophobicContact CG2-CG2 4.36Å; V9-Q82 CarbonylContact C-O 3.58Å; V9-Q82 WeakPolarHBondContact CA-O 3.48Å
10	Y	97.6	Very high	91.1	Very high	44 Å²	44	73.5 Å²	73.5	17%	0.173	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	131.4	169.1	166.4	-114.9	0	0	0	108.7	N12 Q51 F53 I81 Q82	Y10-N12 HydrophobicContact CE1-CB 4.09Å; Y10-N12 HydrophobicContact CE2-CB 4.38Å; Y10-Q51 HydrophobicContact CE2-CB 4.03Å; Y10-Q51 HydrophobicContact CE2-CG 3.99Å; Y10-Q51 PolarHBondContact OH-OE1 3.4Å; Y10-F53 HydrophobicContact CD2-CD1 4.1Å; Y10-F53 AromaticContact CD2-CE1 3.54Å; Y10-F53 HydrophobicContact CD2-CE1 3.54Å; Y10-F53 HydrophobicContact CD2-CE2 4.06Å; Y10-F53 AromaticContact CD2-CZ 3.51Å; Y10-F53 HydrophobicContact CD2-CZ 3.51Å; Y10-F53 HydrophobicContact CE2-CE1 4.5Å; Y10-F53 HydrophobicContact CE2-CE2 4.47Å; Y10-F53 HydrophobicContact CE2-CZ 4.06Å; Y10-F53 HydrophobicContact CG-CE1 4Å; Y10-F53 HydrophobicContact CG-CZ 4.37Å; Y10-I81 WeakPolarHBondContact O-CA 3.24Å; Y10-Q82 HydrophobicContact CD1-CB 4.36Å; Y10-Q82 PolarHBondContact N-O 2.81Å; Y10-Q82 PolarHBondContact O-N 2.9Å
11	I	97.1	Very high	91.3	Very high	0 Å²	0	76.7 Å²	76.7	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	129.8	-179.3	-47.5	169.7	0	0	0	108	V9 I14 L27 F31 Q51 A52 V54 M79 R80 I81	V9-I11 HydrophobicContact CG2-CG1 4.44Å; I11-I14 HydrophobicContact CB-CD1 3.97Å; I11-I14 HydrophobicContact CG2-CD1 3.64Å; I11-I14 HydrophobicContact CG2-CG1 3.86Å; I11-L27 HydrophobicContact CD1-CD2 3.93Å; I11-F31 HydrophobicContact CD1-CE1 3.88Å; I11-F31 HydrophobicContact CD1-CE2 3.72Å; I11-F31 HydrophobicContact CD1-CZ 3.32Å; I11-F31 HydrophobicContact CG1-CZ 4.18Å; I11-Q51 CarbonylContact O-C 3.54Å; I11-Q51 VanDerWaalsContact O-CA 3.24Å; I11-Q51 WeakPolarHBondContact O-CA 3.39Å; I11-A52 PolarHBondContact N-O 3.37Å; I11-A52 PolarHBondContact O-N 3.36Å; I11-V54 HydrophobicContact CD1-CG2 3.69Å; I11-M79 HydrophobicContact CG2-CB 3.92Å; I11-M79 HydrophobicContact CG2-CE 4.31Å; I11-M79 HydrophobicContact CG2-CG 4.36Å; I11-M79 HydrophobicContact CG2-SD 3.73Å; I11-R80 CarbonylContact C-O 3.55Å; I11-R80 VanDerWaalsContact CA-O 3.32Å; I11-R80 WeakPolarHBondContact CA-O 3.44Å; I11-I81 HydrophobicContact CG1-CG1 4.45Å; I11-I81 HydrophobicContact CG2-CG1 4.37Å
12	N	95.8	Very high	93.6	Very high	44 Å²	44	71.2 Å²	71.2	24%	0.235	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	-177.9	171.1	74	-13.3	0	0	0	112.5	Y10 I14 Q51 R80	Y10-N12 HydrophobicContact CE1-CB 4.09Å; Y10-N12 HydrophobicContact CE2-CB 4.38Å; N12-I14 PolarHBondContact O-N 3.41Å; N12-Q51 HydrophobicContact CB-CG 3.94Å; N12-R80 PolarHBondContact N-O 3.25Å; N12-R80 PolarHBondContact O-N 2.9Å; N12-R80 WeakPolarHBondContact OD1-CB 3.08Å; N12-R80 PolarHBondContact OD1-O 2.7Å
13	N	96	Very high	94.9	Very high	63 Å²	63	64.1 Å²	64.1	34%	0.337	30%	0.298	S	S	.	.	S	Bend	trans	62	17.8	-168	-162	38.9	0	0	0	115.3	G50 K77 P78	N13-G50 PolarHBondContact N-O 2.84Å; N13-K77 WeakPolarHBondContact O-CB 3.4Å; N13-K77 WeakPolarHBondContact O-CE 3.31Å; N13-K77 PolarHBondContact O-NZ 3.03Å; N13-K77 WeakPolarHBondContact OD1-CE 3.49Å; N13-K77 PolarHBondContact OD1-NZ 3.11Å; N13-P78 PolarHBondContact ND2-O 2.92Å
14	I	94.7	Very high	95.4	Very high	1 Å²	1	64.4 Å²	64.4	1%	0.005	30%	0.297	C	S	.	.			trans	-65.9	160.6	174.4	-58.7	158.1	0	0	0	110.1	I11 N12 L23 G50 A52 F74 K77	I11-I14 HydrophobicContact CB-CD1 3.97Å; I11-I14 HydrophobicContact CG2-CD1 3.64Å; I11-I14 HydrophobicContact CG2-CG1 3.86Å; N12-I14 PolarHBondContact O-N 3.41Å; I14-L23 HydrophobicContact CG2-CD1 3.73Å; I14-G50 PolarHBondContact N-O 3.16Å; I14-A52 HydrophobicContact CD1-CB 3.83Å; I14-F74 HydrophobicContact CG2-CD1 4Å; I14-F74 HydrophobicContact CG2-CE1 4.01Å; I14-K77 PolarHBondContact O-NZ 2.93Å
15	N	93.6	Very high	95.7	Very high	36 Å²	36	63.1 Å²	63.1	19%	0.193	29%	0.292	C	S	.	.			trans	-75.2	120.1	170.6	-172.4	-25.1	0	0	0	110.2	K17 V18 Y75 K77	N15-K17 WeakPolarHBondContact OD1-CB 3.35Å; N15-K17 PolarHBondContact OD1-N 3Å; N15-K17 VanDerWaalsContact OD1-N 3.14Å; N15-V18 HydrophobicContact CB-CG2 4.06Å; N15-Y75 PolarHBondContact ND2-O 2.94Å; N15-K77 HydrophobicContact CB-CD 4.08Å; N15-K77 HydrophobicContact CB-CG 4.49Å
16	D	93.1	Very high	95.8	Very high	53 Å²	53	61 Å²	61	28%	0.283	28%	0.279	S	S	.	.	S	Bend	trans	-86.8	-9.3	-173.9	65.5	-29.5	0	0	0	114.3	K44 R49	D16-K44 PolarHBondContact O-NZ 3.46Å; D16-R49 HydrophobicContact CB-CB 4.04Å; D16-R49 HydrophobicContact CB-CG 4.4Å; D16-R49 WeakPolarHBondContact OD2-CD 3.35Å; D16-R49 IonicContact OD2-CZ 2.71Å; D16-R49 IonicContact OD2-NE 3.1Å; D16-R49 IonicContact OD2-NH1 3.91Å; D16-R49 PolarHBondContact OD2-NH1 2.65Å
17	K	93.9	Very high	95.9	Very high	176 Å²	176	60.5 Å²	60.5	77%	0.765	28%	0.276	S	S	*	.	S	Bend	trans	-69.6	-42.2	177.1	-59.5	-176.5	179.4	-177.5	0	111.7	N15 K44	N15-K17 WeakPolarHBondContact OD1-CB 3.35Å; N15-K17 PolarHBondContact OD1-N 3Å; N15-K17 VanDerWaalsContact OD1-N 3.14Å; K17-K44 PolarHBondContact O-NZ 3.45Å
18	V	94.2	Very high	96	Very high	13 Å²	13	64.8 Å²	64.8	8%	0.079	29%	0.292	C	S	.	.	S	Bend	trans	-44.1	138.8	177.8	-172.6	0	0	0	0	112.3	N15 E22 L23 K44 Y75	N15-V18 HydrophobicContact CB-CG2 4.06Å; V18-E22 HydrophobicContact CG1-CB 4.22Å; V18-E22 VanDerWaalsContact CG1-CD 3.49Å; V18-E22 HydrophobicContact CG1-CG 4.03Å; V18-L23 HydrophobicContact CG1-CB 4.05Å; V18-K44 WeakPolarHBondContact O-CE 3.46Å; V18-K44 PolarHBondContact O-NZ 2.87Å; V18-Y75 HydrophobicContact CG1-CD1 4.39Å; V18-Y75 HydrophobicContact CG1-CD2 4.49Å; V18-Y75 HydrophobicContact CG1-CE1 3.88Å; V18-Y75 HydrophobicContact CG1-CE2 4.01Å; V18-Y75 HydrophobicContact CG2-CD1 3.5Å; V18-Y75 VanDerWaalsContact CG2-CD1 3.5Å; V18-Y75 HydrophobicContact CG2-CD2 3.99Å; V18-Y75 HydrophobicContact CG2-CE1 3.83Å; V18-Y75 HydrophobicContact CG2-CE2 4.31Å; V18-Y75 HydrophobicContact CG2-CG 3.56Å
19	K	96	Very high	96	Very high	160 Å²	160	68 Å²	68	70%	0.696	32%	0.319	S	S	*	.			trans	-67.1	152.1	-177.5	-70.2	179.4	179.7	176.3	0	111.2	E21 E22 L23	K19-E21 PolarHBondContact O-N 3.34Å; K19-E22 HydrophobicContact CB-CB 4Å; K19-E22 PolarHBondContact N-OE2 3.49Å; K19-E22 VanDerWaalsContact N-OE2 3.11Å; K19-E22 PolarHBondContact O-N 2.69Å; K19-L23 VanDerWaalsContact O-CB 3.24Å; K19-L23 WeakPolarHBondContact O-CB 3.45Å; K19-L23 PolarHBondContact O-N 3.24Å
20	K	94.3	Very high	96	Very high	114 Å²	114	69.3 Å²	69.3	50%	0.496	33%	0.325	S	S	.	.	H	α-helix	trans	-58.7	-44.9	-173.8	-179.7	-168.1	171.4	-166.8	0	112.6	K24 A42	K20-K24 PolarHBondContact O-N 3.29Å; K20-A42 WeakPolarHBondContact CE-O 3.49Å
21	E	95.6	Very high	96	Very high	142 Å²	142	67.2 Å²	67.2	66%	0.664	32%	0.317	S	S	*	.	H	α-helix	trans	-73.3	-42.9	-178	-70.5	160.7	-145	0	0	112	K19 L23 K24 R25	K19-E21 PolarHBondContact O-N 3.34Å; E21-L23 VanDerWaalsContact C-N 3.35Å; E21-L23 PolarHBondContact O-N 3.47Å; E21-K24 PolarHBondContact O-N 3.35Å; E21-R25 WeakPolarHBondContact O-CG 3.45Å; E21-R25 PolarHBondContact O-N 3.4Å
22	E	96.1	Very high	96	Very high	78 Å²	78	69.6 Å²	69.6	36%	0.364	33%	0.334	S	S	.	.	H	α-helix	trans	-55	-49.7	171.7	-171.4	-160.9	161.2	0	0	110.8	V18 K19 K24 R25 S26 Y75	V18-E22 HydrophobicContact CG1-CB 4.22Å; V18-E22 VanDerWaalsContact CG1-CD 3.49Å; V18-E22 HydrophobicContact CG1-CG 4.03Å; K19-E22 HydrophobicContact CB-CB 4Å; K19-E22 PolarHBondContact N-OE2 3.49Å; K19-E22 VanDerWaalsContact N-OE2 3.11Å; K19-E22 PolarHBondContact O-N 2.69Å; E22-K24 PolarHBondContact O-N 2.92Å; E22-R25 PolarHBondContact O-N 2.78Å; E22-R25 VanDerWaalsContact O-N 3.13Å; E22-S26 PolarHBondContact O-N 2.87Å; E22-S26 PolarHBondContact O-OG 2.95Å; E22-Y75 WeakPolarHBondContact OE1-CE1 3.31Å; E22-Y75 PolarHBondContact OE1-OH 3.19Å
23	L	96.3	Very high	96	Very high	14 Å²	14	73.7 Å²	73.7	7%	0.073	35%	0.351	C	S	.	.	H	α-helix	trans	-57.5	-44.8	174.3	174.7	59.5	0	0	0	112.2	I14 V18 K19 E21 L27 A42 F74	I14-L23 HydrophobicContact CG2-CD1 3.73Å; V18-L23 HydrophobicContact CG1-CB 4.05Å; K19-L23 VanDerWaalsContact O-CB 3.24Å; K19-L23 WeakPolarHBondContact O-CB 3.45Å; K19-L23 PolarHBondContact O-N 3.24Å; E21-L23 VanDerWaalsContact C-N 3.35Å; E21-L23 PolarHBondContact O-N 3.47Å; L23-L27 HydrophobicContact CD1-CD1 3.76Å; L23-L27 HydrophobicContact CD1-CG 3.96Å; L23-L27 HydrophobicContact CG-CD1 4.08Å; L23-L27 WeakPolarHBondContact O-CB 3.48Å; L23-L27 VanDerWaalsContact O-CG 3.28Å; L23-L27 WeakPolarHBondContact O-CG 3.39Å; L23-L27 PolarHBondContact O-N 3.46Å; L23-A42 HydrophobicContact CD2-CB 4.22Å; L23-F74 HydrophobicContact CD1-CE1 3.71Å; L23-F74 HydrophobicContact CD1-CZ 4.24Å
24	K	96.8	Very high	96.1	Very high	69 Å²	69	72 Å²	72	30%	0.3	34%	0.341	S	S	.	.	H	α-helix	trans	-62	-42.8	174.1	-83.9	-165.6	62.2	146.8	0	111.8	K20 E21 E22 Y28 D39 I40 A42	K20-K24 PolarHBondContact O-N 3.29Å; E21-K24 PolarHBondContact O-N 3.35Å; E22-K24 PolarHBondContact O-N 2.92Å; K24-Y28 WeakPolarHBondContact O-CB 3.08Å; K24-Y28 PolarHBondContact O-N 3.1Å; K24-D39 IonicContact NZ-OD1 2.7Å; K24-D39 PolarHBondContact NZ-OD1 3.48Å; K24-I40 VanDerWaalsContact CD-O 3.29Å; K24-I40 WeakPolarHBondContact CD-O 3.43Å; K24-I40 WeakPolarHBondContact CE-O 3.35Å; K24-I40 HydrophobicContact CG-CB 4.34Å; K24-I40 HydrophobicContact CG-CG2 4.12Å; K24-I40 PolarHBondContact NZ-O 2.92Å; K24-A42 HydrophobicContact CG-CB 4.42Å
25	R	97.4	Very high	96.1	Very high	189 Å²	189	73.2 Å²	73.2	71%	0.713	35%	0.353	S	S	*	.	H	α-helix	trans	-65	-46.8	179.1	-71.8	179.3	-173.1	-140.7	4.6	111.9	E21 E22 Y28 A29	E21-R25 WeakPolarHBondContact O-CG 3.45Å; E21-R25 PolarHBondContact O-N 3.4Å; E22-R25 PolarHBondContact O-N 2.78Å; E22-R25 VanDerWaalsContact O-N 3.13Å; R25-Y28 WeakPolarHBondContact O-CB 3.39Å; R25-Y28 PolarHBondContact O-N 2.98Å; R25-A29 PolarHBondContact O-N 2.84Å
26	S	97.1	Very high	96.3	Very high	35 Å²	35	77.2 Å²	77.2	25%	0.245	37%	0.371	C	S	.	.	H	α-helix	trans	-68.3	-37.3	179.8	-59.6	0	0	0	0	112.5	E22 L30 Y75	E22-S26 PolarHBondContact O-N 2.87Å; E22-S26 PolarHBondContact O-OG 2.95Å; S26-L30 VanDerWaalsContact O-CB 3.28Å; S26-L30 WeakPolarHBondContact O-CB 3.37Å; S26-L30 PolarHBondContact O-N 3.3Å; S26-Y75 PolarHBondContact OG-OH 2.69Å
27	L	97.3	Very high	96.5	Very high	0 Å²	0	75.4 Å²	75.4	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-65.9	-40.1	170.5	-73.5	173.5	0	0	0	111.7	I11 L23 L30 F31 I40 A52 F74 M79	I11-L27 HydrophobicContact CD1-CD2 3.93Å; L23-L27 HydrophobicContact CD1-CD1 3.76Å; L23-L27 HydrophobicContact CD1-CG 3.96Å; L23-L27 HydrophobicContact CG-CD1 4.08Å; L23-L27 WeakPolarHBondContact O-CB 3.48Å; L23-L27 VanDerWaalsContact O-CG 3.28Å; L23-L27 WeakPolarHBondContact O-CG 3.39Å; L23-L27 PolarHBondContact O-N 3.46Å; L27-L30 PolarHBondContact O-N 3.48Å; L27-F31 HydrophobicContact CD2-CD2 4.24Å; L27-F31 HydrophobicContact CD2-CE2 3.86Å; L27-F31 WeakPolarHBondContact O-CB 3.44Å; L27-F31 WeakPolarHBondContact O-CD2 3.47Å; L27-F31 PolarHBondContact O-N 3Å; L27-I40 HydrophobicContact CB-CD1 4.02Å; L27-I40 HydrophobicContact CB-CG2 4.38Å; L27-I40 HydrophobicContact CD1-CG2 4.08Å; L27-A52 HydrophobicContact CD1-CB 3.49Å; L27-A52 VanDerWaalsContact CD1-CB 3.49Å; L27-F74 HydrophobicContact CD2-CE1 3.72Å; L27-F74 HydrophobicContact CD2-CE2 4.45Å; L27-F74 HydrophobicContact CD2-CZ 3.69Å; L27-F74 HydrophobicContact CG-CE1 4.08Å; L27-F74 HydrophobicContact CG-CZ 3.87Å; L27-M79 HydrophobicContact CD2-CE 3.96Å
28	Y	98.1	Very high	96.6	Very high	130 Å²	130	69.7 Å²	69.7	51%	0.51	34%	0.341	S	S	.	.	H	α-helix	trans	-61.4	-49.8	176.2	-175.6	-89.6	0	0	0	111.6	K24 R25 L30 F31 S32 I37 I40	K24-Y28 WeakPolarHBondContact O-CB 3.08Å; K24-Y28 PolarHBondContact O-N 3.1Å; R25-Y28 WeakPolarHBondContact O-CB 3.39Å; R25-Y28 PolarHBondContact O-N 2.98Å; Y28-L30 VanDerWaalsContact C-N 3.33Å; Y28-L30 PolarHBondContact O-N 3.1Å; Y28-F31 PolarHBondContact O-N 3.05Å; Y28-S32 WeakPolarHBondContact O-CB 3.47Å; Y28-S32 PolarHBondContact O-N 2.99Å; Y28-S32 PolarHBondContact O-OG 3.22Å; Y28-I37 HydrophobicContact CD2-CB 4.13Å; Y28-I37 HydrophobicContact CD2-CD1 3.88Å; Y28-I37 HydrophobicContact CD2-CG2 4.22Å; Y28-I37 HydrophobicContact CE2-CB 4Å; Y28-I37 HydrophobicContact CE2-CD1 4.35Å; Y28-I37 HydrophobicContact CE2-CG2 4.43Å; Y28-I37 HydrophobicContact CG-CD1 4.35Å; Y28-I40 HydrophobicContact CD2-CD1 4.29Å
29	A	97.5	Very high	96.7	Very high	68 Å²	68	71.9 Å²	71.9	56%	0.562	35%	0.352	S	S	*	.	H	α-helix	trans	-61.9	-38.2	178.8	0	0	0	0	0	112.9	R25 S32	R25-A29 PolarHBondContact O-N 2.84Å; A29-S32 PolarHBondContact O-OG 3.13Å
30	L	96.9	Very high	96.7	Very high	26 Å²	26	64.5 Å²	64.5	14%	0.136	32%	0.32	C	S	.	.	H	α-helix	trans	-74.6	-38.3	179.4	179.9	62.1	0	0	0	112.9	S26 L27 Y28 Q33 L69 F72 F74 M79	S26-L30 VanDerWaalsContact O-CB 3.28Å; S26-L30 WeakPolarHBondContact O-CB 3.37Å; S26-L30 PolarHBondContact O-N 3.3Å; L27-L30 PolarHBondContact O-N 3.48Å; Y28-L30 VanDerWaalsContact C-N 3.33Å; Y28-L30 PolarHBondContact O-N 3.1Å; L30-Q33 PolarHBondContact O-NE2 3.19Å; L30-L69 HydrophobicContact CD1-CD1 4.3Å; L30-L69 HydrophobicContact CD1-CD2 4.01Å; L30-L69 HydrophobicContact CD2-CD1 4.08Å; L30-L69 HydrophobicContact CG-CD1 3.8Å; L30-L69 HydrophobicContact CG-CD2 4.36Å; L30-F72 HydrophobicContact CD1-CD1 4.44Å; L30-F72 HydrophobicContact CD1-CE1 3.89Å; L30-F72 HydrophobicContact CD1-CZ 4.11Å; L30-F72 HydrophobicContact CD2-CD1 3.84Å; L30-F72 HydrophobicContact CD2-CE1 3.79Å; L30-F74 HydrophobicContact CD2-CD2 3.72Å; L30-F74 HydrophobicContact CD2-CE2 3.93Å; L30-M79 HydrophobicContact CD2-CE 3.94Å
31	F	97.4	Very high	96.7	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-91.5	-18.4	-174.1	-78.6	-108.2	0	0	0	113.9	V9 I11 L27 Y28 Q33 F34 I37 V54 F56 A65 L69 M79 I81	V9-F31 HydrophobicContact CG2-CD1 4.4Å; V9-F31 HydrophobicContact CG2-CE1 4.04Å; I11-F31 HydrophobicContact CD1-CE1 3.88Å; I11-F31 HydrophobicContact CD1-CE2 3.72Å; I11-F31 HydrophobicContact CD1-CZ 3.32Å; I11-F31 HydrophobicContact CG1-CZ 4.18Å; L27-F31 HydrophobicContact CD2-CD2 4.24Å; L27-F31 HydrophobicContact CD2-CE2 3.86Å; L27-F31 WeakPolarHBondContact O-CB 3.44Å; L27-F31 WeakPolarHBondContact O-CD2 3.47Å; L27-F31 PolarHBondContact O-N 3Å; Y28-F31 PolarHBondContact O-N 3.05Å; F31-Q33 PolarHBondContact O-N 3.15Å; F31-F34 WeakPolarHBondContact O-CD2 3.26Å; F31-F34 PolarHBondContact O-N 3.31Å; F31-I37 HydrophobicContact CB-CD1 3.7Å; F31-V54 HydrophobicContact CB-CG1 4.11Å; F31-V54 HydrophobicContact CD1-CB 4.41Å; F31-V54 HydrophobicContact CD1-CG1 4.21Å; F31-V54 HydrophobicContact CD1-CG2 4.39Å; F31-V54 HydrophobicContact CG-CG1 4.29Å; F31-V54 HydrophobicContact CG-CG2 4.33Å; F31-F56 HydrophobicContact CB-CZ 3.95Å; F31-F56 AromaticContact CD1-CE2 3.99Å; F31-F56 HydrophobicContact CD1-CE2 3.99Å; F31-F56 AromaticContact CD1-CZ 3.85Å; F31-F56 HydrophobicContact CD1-CZ 3.85Å; F31-F56 HydrophobicContact CG-CZ 4.42Å; F31-F56 WeakPolarHBondContact O-CE1 3.44Å; F31-A65 HydrophobicContact CD1-CB 3.87Å; F31-A65 HydrophobicContact CE1-CB 4.06Å; F31-L69 HydrophobicContact CD1-CD1 4.13Å; F31-L69 HydrophobicContact CD2-CD1 3.87Å; F31-L69 HydrophobicContact CE1-CD1 3.8Å; F31-L69 HydrophobicContact CE2-CD1 3.52Å; F31-L69 HydrophobicContact CG-CD1 4.16Å; F31-L69 HydrophobicContact CZ-CD1 3.47Å; F31-L69 VanDerWaalsContact CZ-CD1 3.47Å; F31-M79 HydrophobicContact CE2-CE 4.04Å; F31-M79 HydrophobicContact CE2-SD 3.95Å; F31-M79 HydrophobicContact CZ-CE 4.46Å; F31-M79 HydrophobicContact CZ-SD 3.78Å; F31-I81 HydrophobicContact CE1-CD1 4.13Å; F31-I81 HydrophobicContact CZ-CD1 3.84Å
32	S	97.2	Very high	96.7	Very high	50 Å²	50	55.6 Å²	55.6	35%	0.35	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-62.5	-27.1	-177.5	59.6	0	0	0	0	113.7	Y28 A29 F34 G35	Y28-S32 WeakPolarHBondContact O-CB 3.47Å; Y28-S32 PolarHBondContact O-N 2.99Å; Y28-S32 PolarHBondContact O-OG 3.22Å; A29-S32 PolarHBondContact O-OG 3.13Å; S32-F34 PolarHBondContact O-N 2.99Å; S32-F34 VanDerWaalsContact O-N 3.15Å; S32-G35 PolarHBondContact O-N 3.22Å; S32-G35 VanDerWaalsContact O-N 3.13Å
33	Q	96.8	Very high	96.5	Very high	130 Å²	130	56.5 Å²	56.5	61%	0.607	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-59.7	-22.6	177	73.1	-175	-71.2	0	0	113.9	L30 F31	L30-Q33 PolarHBondContact O-NE2 3.19Å; F31-Q33 PolarHBondContact O-N 3.15Å
34	F	97.4	Very high	96.3	Very high	29 Å²	29	60.9 Å²	60.9	13%	0.127	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-91.2	-13.9	179.8	-54	-72.5	0	0	0	113.4	F31 S32 F56 A61 N64 A65 Q68 L69	F31-F34 WeakPolarHBondContact O-CD2 3.26Å; F31-F34 PolarHBondContact O-N 3.31Å; S32-F34 PolarHBondContact O-N 2.99Å; S32-F34 VanDerWaalsContact O-N 3.15Å; F34-F56 HydrophobicContact CB-CE1 4.2Å; F34-F56 HydrophobicContact CB-CZ 4.23Å; F34-A61 WeakPolarHBondContact O-CA 3.21Å; F34-A61 WeakPolarHBondContact O-CB 3.4Å; F34-N64 HydrophobicContact CD1-CB 4.23Å; F34-A65 HydrophobicContact CB-CB 4.01Å; F34-A65 HydrophobicContact CD1-CB 4.46Å; F34-A65 HydrophobicContact CD2-CB 3.54Å; F34-A65 HydrophobicContact CE2-CB 4.19Å; F34-A65 HydrophobicContact CG-CB 3.72Å; F34-Q68 HydrophobicContact CE1-CB 3.88Å; F34-Q68 HydrophobicContact CE1-CG 4.31Å; F34-Q68 HydrophobicContact CZ-CB 4.12Å; F34-L69 HydrophobicContact CD2-CD1 4.48Å; F34-L69 HydrophobicContact CE2-CD1 3.59Å; F34-L69 HydrophobicContact CE2-CD2 4.33Å; F34-L69 HydrophobicContact CE2-CG 3.78Å; F34-L69 HydrophobicContact CZ-CD1 4.23Å; F34-L69 HydrophobicContact CZ-CD2 4.22Å; F34-L69 HydrophobicContact CZ-CG 3.9Å
35	G	96	Very high	96.1	Very high	25 Å²	25	61.1 Å²	61.1	26%	0.258	32%	0.317	S	S	.	.	S	Bend	trans	149.5	175.8	-179.9	0	0	0	0	0	113.8	S32 I37	S32-G35 PolarHBondContact O-N 3.22Å; S32-G35 VanDerWaalsContact O-N 3.13Å; G35-I37 PolarHBondContact O-N 3.49Å
36	Q	97.1	Very high	95.7	Very high	121 Å²	121	59.5 Å²	59.5	57%	0.565	32%	0.319	S	S	*	.			trans	-63.4	119.9	-176.4	-172.8	175.4	12.6	0	0	111.9	K57	Q36-K57 HydrophobicContact CB-CB 4.19Å; Q36-K57 HydrophobicContact CB-CD 4.47Å; Q36-K57 PolarHBondContact O-N 2.89Å
37	I	97.1	Very high	95.4	Very high	15 Å²	15	65.7 Å²	65.7	8%	0.077	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	135.4	171.1	-59	173.6	0	0	0	109	Y28 F31 G35 I40 V54 V55 F56	Y28-I37 HydrophobicContact CD2-CB 4.13Å; Y28-I37 HydrophobicContact CD2-CD1 3.88Å; Y28-I37 HydrophobicContact CD2-CG2 4.22Å; Y28-I37 HydrophobicContact CE2-CB 4Å; Y28-I37 HydrophobicContact CE2-CD1 4.35Å; Y28-I37 HydrophobicContact CE2-CG2 4.43Å; Y28-I37 HydrophobicContact CG-CD1 4.35Å; F31-I37 HydrophobicContact CB-CD1 3.7Å; G35-I37 PolarHBondContact O-N 3.49Å; I37-I40 HydrophobicContact CD1-CD1 4.33Å; I37-I40 HydrophobicContact CG2-CD1 4.23Å; I37-I40 HydrophobicContact CG2-CG1 3.76Å; I37-V54 HydrophobicContact CD1-CG1 4.06Å; I37-V54 HydrophobicContact CG1-CG1 4.11Å; I37-V54 HydrophobicContact CG2-CG1 4.1Å; I37-V55 WeakPolarHBondContact CA-O 3.45Å; I37-F56 HydrophobicContact CG1-CD1 4.23Å; I37-F56 HydrophobicContact CG1-CE1 4.01Å
38	V	95.9	Very high	95.2	Very high	56 Å²	56	67.9 Å²	67.9	34%	0.339	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-45	179.3	176.9	0	0	0	0	111.3	V55 K57 V90	V38-V55 HydrophobicContact CB-CB 4.43Å; V38-V55 HydrophobicContact CB-CG1 4.14Å; V38-V55 PolarHBondContact N-O 3.41Å; V38-K57 HydrophobicContact CG2-CB 3.81Å; V38-V90 HydrophobicContact CG1-CB 4.13Å; V38-V90 HydrophobicContact CG1-CG1 3.53Å
39	D	95.8	Very high	94.9	Very high	58 Å²	58	67.4 Å²	67.4	31%	0.31	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	165.2	170.2	-175.9	31.3	0	0	0	110.8	K24 V41 V55	K24-D39 IonicContact NZ-OD1 2.7Å; K24-D39 PolarHBondContact NZ-OD1 3.48Å; D39-V41 WeakPolarHBondContact OD2-CG2 3.5Å; D39-V55 WeakPolarHBondContact O-CB 3.46Å; D39-V55 PolarHBondContact O-N 2.94Å
40	I	96.6	Very high	94.7	Very high	5 Å²	5	64.8 Å²	64.8	3%	0.026	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	115	171.7	-55.9	180	0	0	0	109.2	K24 L27 Y28 I37 F53 V54	K24-I40 VanDerWaalsContact CD-O 3.29Å; K24-I40 WeakPolarHBondContact CD-O 3.43Å; K24-I40 WeakPolarHBondContact CE-O 3.35Å; K24-I40 HydrophobicContact CG-CB 4.34Å; K24-I40 HydrophobicContact CG-CG2 4.12Å; K24-I40 PolarHBondContact NZ-O 2.92Å; L27-I40 HydrophobicContact CB-CD1 4.02Å; L27-I40 HydrophobicContact CB-CG2 4.38Å; L27-I40 HydrophobicContact CD1-CG2 4.08Å; Y28-I40 HydrophobicContact CD2-CD1 4.29Å; I37-I40 HydrophobicContact CD1-CD1 4.33Å; I37-I40 HydrophobicContact CG2-CD1 4.23Å; I37-I40 HydrophobicContact CG2-CG1 3.76Å; I40-F53 CarbonylContact C-O 3.46Å; I40-F53 VanDerWaalsContact CA-O 3.25Å; I40-F53 WeakPolarHBondContact CA-O 3.44Å; I40-V54 HydrophobicContact CD1-CG2 4.35Å; I40-V54 HydrophobicContact CG1-CG1 4.32Å; I40-V54 HydrophobicContact CG1-CG2 4.16Å; I40-V54 HydrophobicContact CG2-CG2 4.12Å
41	V	95.1	Very high	94.7	Very high	62 Å²	62	65.6 Å²	65.6	38%	0.376	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	113.8	178.8	-175	0	0	0	0	109.6	D39 A52 F53	D39-V41 WeakPolarHBondContact OD2-CG2 3.5Å; V41-A52 CarbonylContact O-C 3.42Å; V41-A52 WeakPolarHBondContact O-CA 3.34Å; V41-F53 HydrophobicContact CB-CB 4.31Å; V41-F53 PolarHBondContact N-O 2.89Å; V41-F53 PolarHBondContact O-N 2.78Å
42	A	94.4	Very high	94.7	Very high	7 Å²	7	65.6 Å²	65.6	6%	0.058	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	137.6	175.1	0	0	0	0	0	110.5	K20 L23 K24 A52	K20-A42 WeakPolarHBondContact CE-O 3.49Å; L23-A42 HydrophobicContact CD2-CB 4.22Å; K24-A42 HydrophobicContact CG-CB 4.42Å; A42-A52 HydrophobicContact CB-CB 4.22Å
43	M	92.1	Very high	94.7	Very high	98 Å²	98	65.8 Å²	65.8	48%	0.483	33%	0.328	S	S	.	.			trans	-136.7	146.2	-175.6	-61.5	-178.5	80.2	0	0	110.8	M48	M43-M48 HydrophobicContact CB-CB 3.77Å; M43-M48 HydrophobicContact CB-CG 4.27Å; M43-M48 CarbonylContact O-C 3.58Å; M43-M48 HydrophobicContact SD-CG 4.38Å
44	K	91.8	Very high	94.8	Very high	105 Å²	105	59.6 Å²	59.6	46%	0.457	30%	0.299	S	S	.	.			trans	-99.5	12.4	179.4	-79.8	-164.2	172.5	-116	0	114.7	D16 K17 V18	D16-K44 PolarHBondContact O-NZ 3.46Å; K17-K44 PolarHBondContact O-NZ 3.45Å; V18-K44 WeakPolarHBondContact O-CE 3.46Å; V18-K44 PolarHBondContact O-NZ 2.87Å
45	T	92.7	Very high	94.8	Very high	74 Å²	74	58.2 Å²	58.2	45%	0.454	29%	0.293	S	S	.	.	S	Bend	trans	-67.6	152.8	173.7	56.1	0	0	0	0	110.6	K47 M48 R49	T45-K47 PolarHBondContact O-N 3.42Å; T45-M48 PolarHBondContact O-N 3.41Å; T45-M48 WeakPolarHBondContact OG1-CG 3.37Å; T45-R49 PolarHBondContact O-N 3.2Å
46	M	88.9	Confident	94.9	Very high	156 Å²	156	57 Å²	57	77%	0.768	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-35.8	-176	-78.8	-64.5	-166.5	0	0	114.1
47	K	91.3	Very high	94.8	Very high	164 Å²	164	55 Å²	55	71%	0.713	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-24.5	178.2	-174.5	168.8	-178.4	171	0	114.4	T45 Q51	T45-K47 PolarHBondContact O-N 3.42Å; K47-Q51 PolarHBondContact O-NE2 3.21Å
48	M	92.4	Very high	94.8	Very high	47 Å²	47	58.6 Å²	58.6	23%	0.232	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-8.4	-171.1	-55.7	-54.4	-57.6	0	0	114.2	M43 T45 Q51 F53	M43-M48 HydrophobicContact CB-CB 3.77Å; M43-M48 HydrophobicContact CB-CG 4.27Å; M43-M48 CarbonylContact O-C 3.58Å; M43-M48 HydrophobicContact SD-CG 4.38Å; T45-M48 PolarHBondContact O-N 3.41Å; T45-M48 WeakPolarHBondContact OG1-CG 3.37Å; M48-Q51 WeakPolarHBondContact O-CB 3.45Å; M48-Q51 PolarHBondContact O-N 3.07Å; M48-F53 HydrophobicContact CE-CE2 3.94Å
49	R	92.8	Very high	94.7	Very high	119 Å²	119	58.9 Å²	58.9	45%	0.449	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	145.6	177.6	71	-178.3	176.7	124.6	-9.8	111.1	D16 T45 Q51	D16-R49 HydrophobicContact CB-CB 4.04Å; D16-R49 HydrophobicContact CB-CG 4.4Å; D16-R49 WeakPolarHBondContact OD2-CD 3.35Å; D16-R49 IonicContact OD2-CZ 2.71Å; D16-R49 IonicContact OD2-NE 3.1Å; D16-R49 IonicContact OD2-NH1 3.91Å; D16-R49 PolarHBondContact OD2-NH1 2.65Å; T45-R49 PolarHBondContact O-N 3.2Å; R49-Q51 PolarHBondContact O-N 3.31Å; R49-Q51 PolarHBondContact O-NE2 3.23Å
50	G	94.2	Very high	94.8	Very high	14 Å²	14	60.7 Å²	60.7	14%	0.144	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.6	11.2	-174.7	0	0	0	0	0	114.8	N13 I14	N13-G50 PolarHBondContact N-O 2.84Å; I14-G50 PolarHBondContact N-O 3.16Å
51	Q	96.5	Very high	94.8	Very high	42 Å²	42	60.6 Å²	60.6	20%	0.196	30%	0.299	C	S	.	.			trans	-126	152.9	177.1	-60.3	154.2	62.4	0	0	111.4	Y10 I11 N12 K47 M48 R49	Y10-Q51 HydrophobicContact CE2-CB 4.03Å; Y10-Q51 HydrophobicContact CE2-CG 3.99Å; Y10-Q51 PolarHBondContact OH-OE1 3.4Å; I11-Q51 CarbonylContact O-C 3.54Å; I11-Q51 VanDerWaalsContact O-CA 3.24Å; I11-Q51 WeakPolarHBondContact O-CA 3.39Å; N12-Q51 HydrophobicContact CB-CG 3.94Å; K47-Q51 PolarHBondContact O-NE2 3.21Å; M48-Q51 WeakPolarHBondContact O-CB 3.45Å; M48-Q51 PolarHBondContact O-N 3.07Å; R49-Q51 PolarHBondContact O-N 3.31Å; R49-Q51 PolarHBondContact O-NE2 3.23Å
52	A	97.2	Very high	94.9	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.008	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	161.1	170.8	0	0	0	0	0	110.8	I11 I14 L27 V41 A42	I11-A52 PolarHBondContact N-O 3.37Å; I11-A52 PolarHBondContact O-N 3.36Å; I14-A52 HydrophobicContact CD1-CB 3.83Å; L27-A52 HydrophobicContact CD1-CB 3.49Å; L27-A52 VanDerWaalsContact CD1-CB 3.49Å; V41-A52 CarbonylContact O-C 3.42Å; V41-A52 WeakPolarHBondContact O-CA 3.34Å; A42-A52 HydrophobicContact CB-CB 4.22Å
53	F	97.8	Very high	95.1	Very high	53 Å²	53	59 Å²	59	23%	0.232	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	131.2	166.3	-62.3	-97.1	0	0	0	108.4	T8 V9 Y10 I40 V41 M48 A84	T8-F53 HydrophobicContact CG2-CB 3.83Å; T8-F53 HydrophobicContact CG2-CD1 3.96Å; T8-F53 HydrophobicContact CG2-CG 4.38Å; V9-F53 CarbonylContact O-C 3.55Å; V9-F53 VanDerWaalsContact O-CA 3.29Å; V9-F53 WeakPolarHBondContact O-CA 3.48Å; Y10-F53 HydrophobicContact CD2-CD1 4.1Å; Y10-F53 AromaticContact CD2-CE1 3.54Å; Y10-F53 HydrophobicContact CD2-CE1 3.54Å; Y10-F53 HydrophobicContact CD2-CE2 4.06Å; Y10-F53 AromaticContact CD2-CZ 3.51Å; Y10-F53 HydrophobicContact CD2-CZ 3.51Å; Y10-F53 HydrophobicContact CE2-CE1 4.5Å; Y10-F53 HydrophobicContact CE2-CE2 4.47Å; Y10-F53 HydrophobicContact CE2-CZ 4.06Å; Y10-F53 HydrophobicContact CG-CE1 4Å; Y10-F53 HydrophobicContact CG-CZ 4.37Å; I40-F53 CarbonylContact C-O 3.46Å; I40-F53 VanDerWaalsContact CA-O 3.25Å; I40-F53 WeakPolarHBondContact CA-O 3.44Å; V41-F53 HydrophobicContact CB-CB 4.31Å; V41-F53 PolarHBondContact N-O 2.89Å; V41-F53 PolarHBondContact O-N 2.78Å; M48-F53 HydrophobicContact CE-CE2 3.94Å; F53-A84 HydrophobicContact CD1-CB 4.3Å; F53-A84 HydrophobicContact CE1-CB 4.4Å
54	V	97.9	Very high	95.3	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	121.9	172.3	177	0	0	0	0	107.5	T8 V9 I11 F31 I37 I40 F56	T8-V54 WeakPolarHBondContact CA-O 3.42Å; V9-V54 HydrophobicContact CG2-CB 3.83Å; V9-V54 PolarHBondContact N-O 2.7Å; V9-V54 PolarHBondContact O-N 2.87Å; I11-V54 HydrophobicContact CD1-CG2 3.69Å; F31-V54 HydrophobicContact CB-CG1 4.11Å; F31-V54 HydrophobicContact CD1-CB 4.41Å; F31-V54 HydrophobicContact CD1-CG1 4.21Å; F31-V54 HydrophobicContact CD1-CG2 4.39Å; F31-V54 HydrophobicContact CG-CG1 4.29Å; F31-V54 HydrophobicContact CG-CG2 4.33Å; I37-V54 HydrophobicContact CD1-CG1 4.06Å; I37-V54 HydrophobicContact CG1-CG1 4.11Å; I37-V54 HydrophobicContact CG2-CG1 4.1Å; I40-V54 HydrophobicContact CD1-CG2 4.35Å; I40-V54 HydrophobicContact CG1-CG1 4.32Å; I40-V54 HydrophobicContact CG1-CG2 4.16Å; I40-V54 HydrophobicContact CG2-CG2 4.12Å; V54-F56 HydrophobicContact CG1-CD2 4.34Å; V54-F56 HydrophobicContact CG1-CE2 4Å; V54-F56 HydrophobicContact CG1-CZ 4.3Å
55	V	97.6	Very high	95.6	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	110.4	-178.2	-172.8	0	0	0	0	108.3	T8 I37 V38 D39 I91	T8-V55 HydrophobicContact CG2-CG2 4.04Å; I37-V55 WeakPolarHBondContact CA-O 3.45Å; V38-V55 HydrophobicContact CB-CB 4.43Å; V38-V55 HydrophobicContact CB-CG1 4.14Å; V38-V55 PolarHBondContact N-O 3.41Å; D39-V55 WeakPolarHBondContact O-CB 3.46Å; D39-V55 PolarHBondContact O-N 2.94Å; V55-I91 HydrophobicContact CG1-CD1 3.68Å; V55-I91 HydrophobicContact CG1-CG1 3.55Å
56	F	97.8	Very high	95.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	154.7	170.5	-72.9	-82.5	0	0	0	111.2	H7 V9 F31 F34 I37 V54 E58 A61 A62 A65	H7-F56 PolarHBondContact O-N 2.79Å; V9-F56 HydrophobicContact CG2-CE2 4.18Å; F31-F56 HydrophobicContact CB-CZ 3.95Å; F31-F56 AromaticContact CD1-CE2 3.99Å; F31-F56 HydrophobicContact CD1-CE2 3.99Å; F31-F56 AromaticContact CD1-CZ 3.85Å; F31-F56 HydrophobicContact CD1-CZ 3.85Å; F31-F56 HydrophobicContact CG-CZ 4.42Å; F31-F56 WeakPolarHBondContact O-CE1 3.44Å; F34-F56 HydrophobicContact CB-CE1 4.2Å; F34-F56 HydrophobicContact CB-CZ 4.23Å; I37-F56 HydrophobicContact CG1-CD1 4.23Å; I37-F56 HydrophobicContact CG1-CE1 4.01Å; V54-F56 HydrophobicContact CG1-CD2 4.34Å; V54-F56 HydrophobicContact CG1-CE2 4Å; V54-F56 HydrophobicContact CG1-CZ 4.3Å; F56-E58 WeakPolarHBondContact CB-O 3.41Å; F56-A61 HydrophobicContact CB-CB 4.16Å; F56-A61 HydrophobicContact CD1-CB 3.55Å; F56-A61 HydrophobicContact CE1-CB 4.03Å; F56-A61 HydrophobicContact CG-CB 3.91Å; F56-A62 HydrophobicContact CB-CB 4.34Å; F56-A62 HydrophobicContact CD2-CB 3.77Å; F56-A62 HydrophobicContact CE2-CB 4.5Å; F56-A62 HydrophobicContact CG-CB 4.36Å; F56-A65 HydrophobicContact CE2-CB 3.79Å; F56-A65 HydrophobicContact CZ-CB 3.71Å
57	K	95	Very high	96.1	Very high	78 Å²	78	52.5 Å²	52.5	34%	0.339	25%	0.246	S	C	.	.	S	Bend	trans	-70.7	-38.6	167.8	-175.7	-173.8	165.1	-163.3	0	111.6	H7 Q36 V38	H7-K57 PolarHBondContact CD2-O 2.87Å; Q36-K57 HydrophobicContact CB-CB 4.19Å; Q36-K57 HydrophobicContact CB-CD 4.47Å; Q36-K57 PolarHBondContact O-N 2.89Å; V38-K57 HydrophobicContact CG2-CB 3.81Å
58	E	96.2	Very high	96.4	Very high	90 Å²	90	50.9 Å²	50.9	42%	0.421	24%	0.241	S	C	.	.	S	Bend	trans	-109.6	139.3	-175	-53.9	-55.4	149.5	0	0	112.1	F56 T60 A61 A62	F56-E58 WeakPolarHBondContact CB-O 3.41Å; E58-T60 VanDerWaalsContact C-N 3.33Å; E58-T60 PolarHBondContact O-N 3.42Å; E58-A61 HydrophobicContact CB-CB 4.22Å; E58-A61 PolarHBondContact O-N 3.05Å; E58-A62 PolarHBondContact O-N 3.25Å
59	L	95.4	Very high	96.6	Very high	63 Å²	63	49 Å²	49	33%	0.33	23%	0.232	S	C	.	.	H	α-helix	trans	-67.3	-32	178.5	-175.2	62.4	0	0	0	113.3	P5 A62 T63	P5-L59 HydrophobicContact CB-CD1 3.85Å; P5-L59 HydrophobicContact CB-CD2 4.31Å; P5-L59 HydrophobicContact CB-CG 4.37Å; L59-A62 PolarHBondContact O-N 3.39Å; L59-T63 PolarHBondContact O-N 2.66Å; L59-T63 PolarHBondContact O-OG1 3.24Å
60	T	97.1	Very high	96.7	Very high	96 Å²	96	47.8 Å²	47.8	59%	0.589	23%	0.232	S	C	*	.	H	α-helix	trans	-66.9	-40.8	177.1	49	0	0	0	0	111.5	E58 A62 T63 N64	E58-T60 VanDerWaalsContact C-N 3.33Å; E58-T60 PolarHBondContact O-N 3.42Å; T60-A62 PolarHBondContact O-N 3.42Å; T60-T63 WeakPolarHBondContact O-CB 3.29Å; T60-T63 PolarHBondContact O-N 3.48Å; T60-N64 WeakPolarHBondContact O-CB 3.34Å; T60-N64 VanDerWaalsContact O-CG 3.28Å; T60-N64 PolarHBondContact O-N 2.95Å
61	A	97.6	Very high	96.8	Very high	3 Å²	3	48.7 Å²	48.7	3%	0.025	24%	0.241	C	C	.	.	H	α-helix	trans	-58.8	-47.2	174.5	0	0	0	0	0	111.8	F34 F56 E58 T63 N64 A65	F34-A61 WeakPolarHBondContact O-CA 3.21Å; F34-A61 WeakPolarHBondContact O-CB 3.4Å; F56-A61 HydrophobicContact CB-CB 4.16Å; F56-A61 HydrophobicContact CD1-CB 3.55Å; F56-A61 HydrophobicContact CE1-CB 4.03Å; F56-A61 HydrophobicContact CG-CB 3.91Å; E58-A61 HydrophobicContact CB-CB 4.22Å; E58-A61 PolarHBondContact O-N 3.05Å; A61-T63 VanDerWaalsContact C-N 3.33Å; A61-T63 PolarHBondContact O-N 3.34Å; A61-N64 PolarHBondContact O-N 3.46Å; A61-A65 WeakPolarHBondContact O-CB 3.33Å; A61-A65 PolarHBondContact O-N 3.45Å
62	A	97	Very high	96.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-59.9	-41.4	174.9	0	0	0	0	0	112.6	N6 V9 F56 E58 L59 T60 L66	N6-A62 VanDerWaalsContact O-CB 3.26Å; N6-A62 WeakPolarHBondContact O-CB 3.35Å; V9-A62 HydrophobicContact CG1-CB 3.96Å; F56-A62 HydrophobicContact CB-CB 4.34Å; F56-A62 HydrophobicContact CD2-CB 3.77Å; F56-A62 HydrophobicContact CE2-CB 4.5Å; F56-A62 HydrophobicContact CG-CB 4.36Å; E58-A62 PolarHBondContact O-N 3.25Å; L59-A62 PolarHBondContact O-N 3.39Å; T60-A62 PolarHBondContact O-N 3.42Å; A62-L66 VanDerWaalsContact O-CB 3.29Å; A62-L66 WeakPolarHBondContact O-CB 3.29Å; A62-L66 PolarHBondContact O-N 2.83Å
63	T	97.3	Very high	96.7	Very high	34 Å²	34	55.2 Å²	55.2	21%	0.209	28%	0.278	C	S	.	.	H	α-helix	trans	-64.3	-43.9	177.3	-56.5	0	0	0	0	111.9	L59 T60 A61 R67 Y83	L59-T63 PolarHBondContact O-N 2.66Å; L59-T63 PolarHBondContact O-OG1 3.24Å; T60-T63 WeakPolarHBondContact O-CB 3.29Å; T60-T63 PolarHBondContact O-N 3.48Å; A61-T63 VanDerWaalsContact C-N 3.33Å; A61-T63 PolarHBondContact O-N 3.34Å; T63-R67 PolarHBondContact O-N 3.05Å; T63-R67 VanDerWaalsContact O-N 3.14Å; T63-Y83 WeakPolarHBondContact CA-OH 3.41Å; T63-Y83 WeakPolarHBondContact CG2-OH 3.48Å; T63-Y83 PolarHBondContact OG1-OH 3.1Å
64	N	97.7	Very high	96.6	Very high	73 Å²	73	53.4 Å²	53.4	39%	0.39	27%	0.27	S	S	.	.	H	α-helix	trans	-68.4	-46.4	-179.7	-71.7	-13.9	0	0	0	111.7	F34 T60 A61 L66 R67 Q68	F34-N64 HydrophobicContact CD1-CB 4.23Å; T60-N64 WeakPolarHBondContact O-CB 3.34Å; T60-N64 VanDerWaalsContact O-CG 3.28Å; T60-N64 PolarHBondContact O-N 2.95Å; A61-N64 PolarHBondContact O-N 3.46Å; N64-L66 VanDerWaalsContact C-N 3.35Å; N64-L66 PolarHBondContact O-N 2.96Å; N64-R67 PolarHBondContact O-N 3.48Å; N64-Q68 WeakPolarHBondContact O-CB 3.33Å; N64-Q68 WeakPolarHBondContact O-CG 3.38Å; N64-Q68 PolarHBondContact O-N 2.98Å
65	A	97.1	Very high	96.4	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.7	-43.5	176.1	0	0	0	0	0	112	F31 F34 F56 A61 R67 Q68 L69	F31-A65 HydrophobicContact CD1-CB 3.87Å; F31-A65 HydrophobicContact CE1-CB 4.06Å; F34-A65 HydrophobicContact CB-CB 4.01Å; F34-A65 HydrophobicContact CD1-CB 4.46Å; F34-A65 HydrophobicContact CD2-CB 3.54Å; F34-A65 HydrophobicContact CE2-CB 4.19Å; F34-A65 HydrophobicContact CG-CB 3.72Å; F56-A65 HydrophobicContact CE2-CB 3.79Å; F56-A65 HydrophobicContact CZ-CB 3.71Å; A61-A65 WeakPolarHBondContact O-CB 3.33Å; A61-A65 PolarHBondContact O-N 3.45Å; A65-R67 VanDerWaalsContact C-N 3.35Å; A65-R67 PolarHBondContact O-N 3.45Å; A65-Q68 PolarHBondContact O-N 3.45Å; A65-L69 WeakPolarHBondContact O-CB 3.25Å; A65-L69 PolarHBondContact O-N 3.26Å
66	L	96.6	Very high	96.1	Very high	28 Å²	28	64.6 Å²	64.6	15%	0.147	33%	0.326	C	S	.	.	H	α-helix	trans	-61.4	-40.8	177.1	-178.5	154.3	0	0	0	112.3	V9 A62 N64 I81 Y83	V9-L66 HydrophobicContact CG1-CB 4.33Å; A62-L66 VanDerWaalsContact O-CB 3.29Å; A62-L66 WeakPolarHBondContact O-CB 3.29Å; A62-L66 PolarHBondContact O-N 2.83Å; N64-L66 VanDerWaalsContact C-N 3.35Å; N64-L66 PolarHBondContact O-N 2.96Å; L66-I81 HydrophobicContact CB-CG2 4.02Å; L66-I81 HydrophobicContact CD1-CG2 4.29Å; L66-I81 HydrophobicContact CG-CB 4.38Å; L66-I81 HydrophobicContact CG-CG2 3.96Å; L66-Y83 HydrophobicContact CD1-CD1 3.93Å; L66-Y83 HydrophobicContact CD1-CD2 4.05Å; L66-Y83 HydrophobicContact CD1-CE1 3.9Å; L66-Y83 HydrophobicContact CD1-CE2 4.01Å; L66-Y83 HydrophobicContact CD1-CG 4Å
67	R	95.8	Very high	96	Very high	197 Å²	197	67.8 Å²	67.8	74%	0.743	34%	0.339	S	S	*	.	H	α-helix	trans	-72.2	-41.8	178.7	-77.2	-177.9	167.9	-166.1	-3.7	112.9	T63 N64 A65	T63-R67 PolarHBondContact O-N 3.05Å; T63-R67 VanDerWaalsContact O-N 3.14Å; N64-R67 PolarHBondContact O-N 3.48Å; A65-R67 VanDerWaalsContact C-N 3.35Å; A65-R67 PolarHBondContact O-N 3.45Å
68	Q	96.6	Very high	96.1	Very high	129 Å²	129	67.4 Å²	67.4	60%	0.603	35%	0.345	S	S	*	.	H	α-helix	trans	-87	-28.8	-171.1	-66.6	-177.1	55.8	0	0	114.1	F34 N64 A65	F34-Q68 HydrophobicContact CE1-CB 3.88Å; F34-Q68 HydrophobicContact CE1-CG 4.31Å; F34-Q68 HydrophobicContact CZ-CB 4.12Å; N64-Q68 WeakPolarHBondContact O-CB 3.33Å; N64-Q68 WeakPolarHBondContact O-CG 3.38Å; N64-Q68 PolarHBondContact O-N 2.98Å; A65-Q68 PolarHBondContact O-N 3.45Å
69	L	96.7	Very high	96.1	Very high	7 Å²	7	63.2 Å²	63.2	4%	0.037	33%	0.325	C	S	.	.	S	Bend	trans	-100	9.2	179.2	-63.3	-178.2	0	0	0	114.1	L30 F31 F34 A65 G71 F72 I81	L30-L69 HydrophobicContact CD1-CD1 4.3Å; L30-L69 HydrophobicContact CD1-CD2 4.01Å; L30-L69 HydrophobicContact CD2-CD1 4.08Å; L30-L69 HydrophobicContact CG-CD1 3.8Å; L30-L69 HydrophobicContact CG-CD2 4.36Å; F31-L69 HydrophobicContact CD1-CD1 4.13Å; F31-L69 HydrophobicContact CD2-CD1 3.87Å; F31-L69 HydrophobicContact CE1-CD1 3.8Å; F31-L69 HydrophobicContact CE2-CD1 3.52Å; F31-L69 HydrophobicContact CG-CD1 4.16Å; F31-L69 HydrophobicContact CZ-CD1 3.47Å; F31-L69 VanDerWaalsContact CZ-CD1 3.47Å; F34-L69 HydrophobicContact CD2-CD1 4.48Å; F34-L69 HydrophobicContact CE2-CD1 3.59Å; F34-L69 HydrophobicContact CE2-CD2 4.33Å; F34-L69 HydrophobicContact CE2-CG 3.78Å; F34-L69 HydrophobicContact CZ-CD1 4.23Å; F34-L69 HydrophobicContact CZ-CD2 4.22Å; F34-L69 HydrophobicContact CZ-CG 3.9Å; A65-L69 WeakPolarHBondContact O-CB 3.25Å; A65-L69 PolarHBondContact O-N 3.26Å; L69-G71 PolarHBondContact O-N 3.14Å; L69-F72 HydrophobicContact CB-CB 4.16Å; L69-F72 HydrophobicContact CD2-CB 4.11Å; L69-F72 HydrophobicContact CD2-CD1 4.34Å; L69-F72 HydrophobicContact CD2-CD2 3.95Å; L69-F72 HydrophobicContact CD2-CE2 4.48Å; L69-F72 HydrophobicContact CD2-CG 3.87Å; L69-F72 VanDerWaalsContact O-CB 3.23Å; L69-F72 WeakPolarHBondContact O-CB 3.38Å; L69-F72 PolarHBondContact O-N 3.42Å; L69-I81 HydrophobicContact CB-CD1 3.44Å; L69-I81 VanDerWaalsContact CB-CD1 3.44Å; L69-I81 WeakPolarHBondContact O-CD1 3.47Å
70	Q	96.7	Very high	96.2	Very high	95 Å²	95	68.1 Å²	68.1	44%	0.444	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	120.3	177.1	-170	68.3	-92.7	0	0	110.6	F72 I81	Q70-F72 PolarHBondContact O-N 3.03Å; Q70-I81 PolarHBondContact NE2-O 3.44Å
71	G	94.4	Very high	96.2	Very high	33 Å²	33	63.6 Å²	63.6	34%	0.34	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	1.9	-176	0	0	0	0	0	114.8	L69 P78 M79	L69-G71 PolarHBondContact O-N 3.14Å; G71-P78 WeakPolarHBondContact O-CA 3.06Å; G71-P78 WeakPolarHBondContact O-CB 3.29Å; G71-M79 WeakPolarHBondContact CA-O 3.41Å; G71-M79 PolarHBondContact N-O 2.84Å
72	F	96.2	Very high	96.1	Very high	83 Å²	83	67.6 Å²	67.6	36%	0.364	33%	0.33	S	S	.	.			trans	-57.6	129.2	-174.9	-178.3	-96.2	0	0	0	112	L30 L69 Q70 F74 M79	L30-F72 HydrophobicContact CD1-CD1 4.44Å; L30-F72 HydrophobicContact CD1-CE1 3.89Å; L30-F72 HydrophobicContact CD1-CZ 4.11Å; L30-F72 HydrophobicContact CD2-CD1 3.84Å; L30-F72 HydrophobicContact CD2-CE1 3.79Å; L69-F72 HydrophobicContact CB-CB 4.16Å; L69-F72 HydrophobicContact CD2-CB 4.11Å; L69-F72 HydrophobicContact CD2-CD1 4.34Å; L69-F72 HydrophobicContact CD2-CD2 3.95Å; L69-F72 HydrophobicContact CD2-CE2 4.48Å; L69-F72 HydrophobicContact CD2-CG 3.87Å; L69-F72 VanDerWaalsContact O-CB 3.23Å; L69-F72 WeakPolarHBondContact O-CB 3.38Å; L69-F72 PolarHBondContact O-N 3.42Å; Q70-F72 PolarHBondContact O-N 3.03Å; F72-F74 HydrophobicContact CD1-CB 4.34Å; F72-F74 PolarHBondContact O-N 2.92Å; F72-F74 VanDerWaalsContact O-N 3.16Å; F72-M79 HydrophobicContact CB-CG 4.24Å; F72-M79 PolarHBondContact O-N 2.97Å
73	P	95.7	Very high	96.2	Very high	97 Å²	97	69.2 Å²	69.2	63%	0.63	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.9	111.4	178.1	-22.5	34.4	0	0	0	112.3
74	F	95.9	Very high	96.1	Very high	14 Å²	14	67.8 Å²	67.8	6%	0.061	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	115	-176.9	-173.5	-110.7	0	0	0	110.1	I14 L23 L27 L30 F72 N76 K77 M79	I14-F74 HydrophobicContact CG2-CD1 4Å; I14-F74 HydrophobicContact CG2-CE1 4.01Å; L23-F74 HydrophobicContact CD1-CE1 3.71Å; L23-F74 HydrophobicContact CD1-CZ 4.24Å; L27-F74 HydrophobicContact CD2-CE1 3.72Å; L27-F74 HydrophobicContact CD2-CE2 4.45Å; L27-F74 HydrophobicContact CD2-CZ 3.69Å; L27-F74 HydrophobicContact CG-CE1 4.08Å; L27-F74 HydrophobicContact CG-CZ 3.87Å; L30-F74 HydrophobicContact CD2-CD2 3.72Å; L30-F74 HydrophobicContact CD2-CE2 3.93Å; F72-F74 HydrophobicContact CD1-CB 4.34Å; F72-F74 PolarHBondContact O-N 2.92Å; F72-F74 VanDerWaalsContact O-N 3.16Å; F74-N76 VanDerWaalsContact C-N 3.3Å; F74-N76 PolarHBondContact O-N 3.44Å; F74-K77 PolarHBondContact N-O 3.44Å; F74-K77 PolarHBondContact O-N 3.23Å; F74-K77 VanDerWaalsContact O-O 3.14Å; F74-M79 HydrophobicContact CB-CE 3.56Å; F74-M79 HydrophobicContact CD1-CE 3.51Å; F74-M79 HydrophobicContact CD2-CE 3.92Å; F74-M79 HydrophobicContact CE1-CE 4.11Å; F74-M79 HydrophobicContact CE2-CE 4.46Å; F74-M79 HydrophobicContact CG-CE 3.4Å
75	Y	93.9	Very high	95.8	Very high	69 Å²	69	72.9 Å²	72.9	27%	0.271	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	49.5	-170.7	-69.5	-88.3	0	0	0	113	N15 V18 E22 S26 K77	N15-Y75 PolarHBondContact ND2-O 2.94Å; V18-Y75 HydrophobicContact CG1-CD1 4.39Å; V18-Y75 HydrophobicContact CG1-CD2 4.49Å; V18-Y75 HydrophobicContact CG1-CE1 3.88Å; V18-Y75 HydrophobicContact CG1-CE2 4.01Å; V18-Y75 HydrophobicContact CG2-CD1 3.5Å; V18-Y75 VanDerWaalsContact CG2-CD1 3.5Å; V18-Y75 HydrophobicContact CG2-CD2 3.99Å; V18-Y75 HydrophobicContact CG2-CE1 3.83Å; V18-Y75 HydrophobicContact CG2-CE2 4.31Å; V18-Y75 HydrophobicContact CG2-CG 3.56Å; E22-Y75 WeakPolarHBondContact OE1-CE1 3.31Å; E22-Y75 PolarHBondContact OE1-OH 3.19Å; S26-Y75 PolarHBondContact OG-OH 2.69Å; Y75-K77 VanDerWaalsContact C-N 3.27Å; Y75-K77 PolarHBondContact O-N 3.3Å
76	N	92.1	Very high	95.4	Very high	168 Å²	168	78 Å²	78	90%	0.898	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	25.2	179.5	-56.4	-12	0	0	0	115.1	F74	F74-N76 VanDerWaalsContact C-N 3.3Å; F74-N76 PolarHBondContact O-N 3.44Å
77	K	95.3	Very high	95.1	Very high	66 Å²	66	79 Å²	79	29%	0.287	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	136.9	169.5	-64.7	-175.4	69.1	-162.4	0	111	N13 I14 N15 F74 Y75 M79	N13-K77 WeakPolarHBondContact O-CB 3.4Å; N13-K77 WeakPolarHBondContact O-CE 3.31Å; N13-K77 PolarHBondContact O-NZ 3.03Å; N13-K77 WeakPolarHBondContact OD1-CE 3.49Å; N13-K77 PolarHBondContact OD1-NZ 3.11Å; I14-K77 PolarHBondContact O-NZ 2.93Å; N15-K77 HydrophobicContact CB-CD 4.08Å; N15-K77 HydrophobicContact CB-CG 4.49Å; F74-K77 PolarHBondContact N-O 3.44Å; F74-K77 PolarHBondContact O-N 3.23Å; F74-K77 VanDerWaalsContact O-O 3.14Å; Y75-K77 VanDerWaalsContact C-N 3.27Å; Y75-K77 PolarHBondContact O-N 3.3Å; K77-M79 PolarHBondContact O-N 2.94Å
78	P	96.2	Very high	94.8	Very high	71 Å²	71	70.7 Å²	70.7	46%	0.461	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	114.8	173.1	28.2	-32.6	0	0	0	109.3	N13 G71	N13-P78 PolarHBondContact ND2-O 2.92Å; G71-P78 WeakPolarHBondContact O-CA 3.06Å; G71-P78 WeakPolarHBondContact O-CB 3.29Å
79	M	96.8	Very high	94.3	Very high	1 Å²	1	70.1 Å²	70.1	1%	0.005	35%	0.353	C	S	.	.			trans	-72.9	145.1	178.6	68.7	160.1	64.6	0	0	111.3	I11 L27 L30 F31 G71 F72 F74 K77 I81	I11-M79 HydrophobicContact CG2-CB 3.92Å; I11-M79 HydrophobicContact CG2-CE 4.31Å; I11-M79 HydrophobicContact CG2-CG 4.36Å; I11-M79 HydrophobicContact CG2-SD 3.73Å; L27-M79 HydrophobicContact CD2-CE 3.96Å; L30-M79 HydrophobicContact CD2-CE 3.94Å; F31-M79 HydrophobicContact CE2-CE 4.04Å; F31-M79 HydrophobicContact CE2-SD 3.95Å; F31-M79 HydrophobicContact CZ-CE 4.46Å; F31-M79 HydrophobicContact CZ-SD 3.78Å; G71-M79 WeakPolarHBondContact CA-O 3.41Å; G71-M79 PolarHBondContact N-O 2.84Å; F72-M79 HydrophobicContact CB-CG 4.24Å; F72-M79 PolarHBondContact O-N 2.97Å; F74-M79 HydrophobicContact CB-CE 3.56Å; F74-M79 HydrophobicContact CD1-CE 3.51Å; F74-M79 HydrophobicContact CD2-CE 3.92Å; F74-M79 HydrophobicContact CE1-CE 4.11Å; F74-M79 HydrophobicContact CE2-CE 4.46Å; F74-M79 HydrophobicContact CG-CE 3.4Å; K77-M79 PolarHBondContact O-N 2.94Å; M79-I81 HydrophobicContact CG-CD1 4.5Å; M79-I81 HydrophobicContact CG-CG1 4.4Å; M79-I81 HydrophobicContact SD-CD1 3.86Å; M79-I81 HydrophobicContact SD-CG1 4.08Å
80	R	96.7	Very high	93.9	Very high	166 Å²	166	72.6 Å²	72.6	63%	0.626	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.2	129.6	176.3	-86.2	177.9	167.2	-177.6	-4.9	109.3	I11 N12	I11-R80 CarbonylContact C-O 3.55Å; I11-R80 VanDerWaalsContact CA-O 3.32Å; I11-R80 WeakPolarHBondContact CA-O 3.44Å; N12-R80 PolarHBondContact N-O 3.25Å; N12-R80 PolarHBondContact O-N 2.9Å; N12-R80 WeakPolarHBondContact OD1-CB 3.08Å; N12-R80 PolarHBondContact OD1-O 2.7Å
81	I	97	Very high	93.5	Very high	2 Å²	2	68.2 Å²	68.2	1%	0.01	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	136.7	-173.4	-48.2	177.7	0	0	0	110.3	V9 Y10 I11 F31 L66 L69 Q70 M79	V9-I81 HydrophobicContact CB-CG2 3.85Å; V9-I81 HydrophobicContact CG1-CG2 4.27Å; V9-I81 HydrophobicContact CG2-CG2 4.36Å; Y10-I81 WeakPolarHBondContact O-CA 3.24Å; I11-I81 HydrophobicContact CG1-CG1 4.45Å; I11-I81 HydrophobicContact CG2-CG1 4.37Å; F31-I81 HydrophobicContact CE1-CD1 4.13Å; F31-I81 HydrophobicContact CZ-CD1 3.84Å; L66-I81 HydrophobicContact CB-CG2 4.02Å; L66-I81 HydrophobicContact CD1-CG2 4.29Å; L66-I81 HydrophobicContact CG-CB 4.38Å; L66-I81 HydrophobicContact CG-CG2 3.96Å; L69-I81 HydrophobicContact CB-CD1 3.44Å; L69-I81 VanDerWaalsContact CB-CD1 3.44Å; L69-I81 WeakPolarHBondContact O-CD1 3.47Å; Q70-I81 PolarHBondContact NE2-O 3.44Å; M79-I81 HydrophobicContact CG-CD1 4.5Å; M79-I81 HydrophobicContact CG-CG1 4.4Å; M79-I81 HydrophobicContact SD-CD1 3.86Å; M79-I81 HydrophobicContact SD-CG1 4.08Å
82	Q	97.1	Very high	93.2	Very high	87 Å²	87	66.7 Å²	66.7	41%	0.407	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	165.6	174.2	-59.4	-179.1	-3.5	0	0	109.1	V9 Y10	V9-Q82 CarbonylContact C-O 3.58Å; V9-Q82 WeakPolarHBondContact CA-O 3.48Å; Y10-Q82 HydrophobicContact CD1-CB 4.36Å; Y10-Q82 PolarHBondContact N-O 2.81Å; Y10-Q82 PolarHBondContact O-N 2.9Å
83	Y	97.6	Very high	92.7	Very high	33 Å²	33	67.8 Å²	67.8	13%	0.129	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	149.4	165.7	-64.5	-62.1	0	0	0	110.5	P5 N6 T63 L66	P5-Y83 HydrophobicContact CB-CE1 4.34Å; P5-Y83 HydrophobicContact CB-CE2 4.19Å; P5-Y83 HydrophobicContact CG-CE2 4.25Å; N6-Y83 HydrophobicContact CB-CD1 4.33Å; N6-Y83 HydrophobicContact CB-CG 4.5Å; N6-Y83 WeakPolarHBondContact O-CD1 3.31Å; T63-Y83 WeakPolarHBondContact CA-OH 3.41Å; T63-Y83 WeakPolarHBondContact CG2-OH 3.48Å; T63-Y83 PolarHBondContact OG1-OH 3.1Å; L66-Y83 HydrophobicContact CD1-CD1 3.93Å; L66-Y83 HydrophobicContact CD1-CD2 4.05Å; L66-Y83 HydrophobicContact CD1-CE1 3.9Å; L66-Y83 HydrophobicContact CD1-CE2 4.01Å; L66-Y83 HydrophobicContact CD1-CG 4Å
84	A	95.4	Very high	92.1	Very high	4 Å²	4	69.4 Å²	69.4	3%	0.033	34%	0.337	C	S	.	.			trans	-66.3	138.8	170.1	0	0	0	0	0	110.9	T8 F53 T86	T8-A84 HydrophobicContact CG2-CB 3.81Å; T8-A84 WeakPolarHBondContact O-CB 3.39Å; T8-A84 PolarHBondContact O-N 3.14Å; F53-A84 HydrophobicContact CD1-CB 4.3Å; F53-A84 HydrophobicContact CE1-CB 4.4Å; A84-T86 PolarHBondContact O-N 2.82Å
85	K	91.7	Very high	91.3	Very high	181 Å²	181	73.7 Å²	73.7	79%	0.787	36%	0.356	S	S	*	.	S	Bend	trans	-65	-20.6	177.4	-62.9	-173.2	178.1	-172.4	0	113.5
86	T	90.1	Very high	90.4	Very high	107 Å²	107	73 Å²	73	66%	0.656	37%	0.37	S	S	*	.	S	Bend	trans	-142.5	150.5	-175.2	49.3	0	0	0	0	110.7	A84 S88	A84-T86 PolarHBondContact O-N 2.82Å; T86-S88 PolarHBondContact O-N 3.18Å
87	D	88.4	Confident	89.3	Confident	49 Å²	49	68.6 Å²	68.6	26%	0.262	35%	0.349	S	S	.	.			trans	-67.6	126.6	175.8	-82.4	24.3	0	0	0	111.5	N6 I91 S92 K95 K101	N6-D87 PolarHBondContact ND2-OD1 3.3Å; D87-I91 HydrophobicContact CB-CG2 4.47Å; D87-S92 PolarHBondContact O-OG 2.98Å; D87-K95 IonicContact OD2-NZ 2.69Å; D87-K95 PolarHBondContact OD2-NZ 3.19Å; D87-K101 PolarHBondContact O-NZ 2.7Å
88	S	90.1	Very high	87.4	Confident	23 Å²	23	66.9 Å²	66.9	16%	0.161	34%	0.342	C	S	.	.			trans	-53.3	156.3	172.9	-72.8	0	0	0	0	113	T8 T86 V90 I91 S92	T8-S88 WeakPolarHBondContact CB-OG 3.37Å; T8-S88 WeakPolarHBondContact CG2-OG 3.5Å; T8-S88 WeakPolarHBondContact OG1-CB 3.32Å; T8-S88 PolarHBondContact OG1-OG 3.12Å; T86-S88 PolarHBondContact O-N 3.18Å; S88-V90 VanDerWaalsContact C-N 3.34Å; S88-V90 PolarHBondContact O-N 3.41Å; S88-I91 PolarHBondContact O-N 3.37Å; S88-S92 PolarHBondContact O-N 3.2Å; S88-S92 PolarHBondContact O-OG 3.19Å
89	E	87.3	Confident	85.4	Confident	116 Å²	116	66.8 Å²	66.8	54%	0.542	34%	0.343	S	S	.	.	H	α-helix	trans	-56.4	-47.1	-177.7	-159.6	-172.1	119.9	0	0	111.9	I91 S92 K93 F98	E89-I91 PolarHBondContact O-N 3.43Å; E89-S92 WeakPolarHBondContact O-CB 3.23Å; E89-S92 PolarHBondContact O-N 2.84Å; E89-K93 WeakPolarHBondContact O-CG 3.28Å; E89-K93 PolarHBondContact O-N 2.85Å; E89-K93 VanDerWaalsContact OE1-CE 3.31Å; E89-K93 WeakPolarHBondContact OE1-CE 3.42Å; E89-K93 IonicContact OE1-NZ 2.69Å; E89-K93 PolarHBondContact OE1-NZ 2.86Å; E89-F98 HydrophobicContact CG-CE2 3.38Å; E89-F98 HydrophobicContact CG-CZ 3.55Å
90	V	88.3	Confident	83.3	Confident	59 Å²	59	72.2 Å²	72.2	36%	0.358	37%	0.372	S	S	.	.	H	α-helix	trans	-66.2	-38.3	-178.6	-163.2	0	0	0	0	112.2	V38 S88 S92 K93 M94	V38-V90 HydrophobicContact CG1-CB 4.13Å; V38-V90 HydrophobicContact CG1-CG1 3.53Å; S88-V90 VanDerWaalsContact C-N 3.34Å; S88-V90 PolarHBondContact O-N 3.41Å; V90-S92 VanDerWaalsContact C-N 3.34Å; V90-K93 PolarHBondContact O-N 3.43Å; V90-M94 WeakPolarHBondContact O-CB 3.28Å; V90-M94 PolarHBondContact O-N 3.42Å
91	I	88.2	Confident	81.2	Confident	4 Å²	4	69.1 Å²	69.1	2%	0.021	36%	0.363	C	S	.	.	H	α-helix	trans	-67	-37.7	174.7	-59.6	-61.1	0	0	0	110.9	H7 V55 D87 S88 E89 K93 M94 K95	H7-I91 HydrophobicContact CB-CD1 3.93Å; H7-I91 HydrophobicContact CB-CG1 4.15Å; V55-I91 HydrophobicContact CG1-CD1 3.68Å; V55-I91 HydrophobicContact CG1-CG1 3.55Å; D87-I91 HydrophobicContact CB-CG2 4.47Å; S88-I91 PolarHBondContact O-N 3.37Å; E89-I91 PolarHBondContact O-N 3.43Å; I91-K93 VanDerWaalsContact C-N 3.33Å; I91-K93 PolarHBondContact O-N 3.05Å; I91-M94 PolarHBondContact O-N 2.85Å; I91-K95 HydrophobicContact CG2-CD 3.92Å; I91-K95 HydrophobicContact CG2-CG 4.36Å; I91-K95 WeakPolarHBondContact O-CB 3.33Å; I91-K95 VanDerWaalsContact O-CG 3.31Å; I91-K95 WeakPolarHBondContact O-CG 3.36Å; I91-K95 PolarHBondContact O-N 2.82Å
92	S	87	Confident	79.2	Confident	1 Å²	1	74.3 Å²	74.3	1%	0.007	39%	0.388	C	S	.	.	H	α-helix	trans	-65.4	-36.1	175	-52.8	0	0	0	0	111.9	D87 S88 E89 V90 T97 F98 K101	D87-S92 PolarHBondContact O-OG 2.98Å; S88-S92 PolarHBondContact O-N 3.2Å; S88-S92 PolarHBondContact O-OG 3.19Å; E89-S92 WeakPolarHBondContact O-CB 3.23Å; E89-S92 PolarHBondContact O-N 2.84Å; V90-S92 VanDerWaalsContact C-N 3.34Å; S92-T97 PolarHBondContact O-N 3.06Å; S92-T97 VanDerWaalsContact O-N 3.12Å; S92-T97 PolarHBondContact O-OG1 2.79Å; S92-F98 PolarHBondContact O-N 2.89Å; S92-K101 PolarHBondContact OG-NZ 2.85Å
93	K	86.4	Confident	77	Confident	106 Å²	106	77.2 Å²	77.2	46%	0.461	40%	0.399	S	S	.	.	H	α-helix	trans	-67	-49.5	172	-70.7	176.9	-179.6	173.1	0	111.4	E89 V90 I91 K95 G96 F98	E89-K93 WeakPolarHBondContact O-CG 3.28Å; E89-K93 PolarHBondContact O-N 2.85Å; E89-K93 VanDerWaalsContact OE1-CE 3.31Å; E89-K93 WeakPolarHBondContact OE1-CE 3.42Å; E89-K93 IonicContact OE1-NZ 2.69Å; E89-K93 PolarHBondContact OE1-NZ 2.86Å; V90-K93 PolarHBondContact O-N 3.43Å; I91-K93 VanDerWaalsContact C-N 3.33Å; I91-K93 PolarHBondContact O-N 3.05Å; K93-K95 VanDerWaalsContact C-N 3.29Å; K93-K95 PolarHBondContact O-N 2.9Å; K93-G96 PolarHBondContact O-N 3.13Å; K93-F98 HydrophobicContact CB-CD2 4.45Å; K93-F98 HydrophobicContact CD-CD2 4.44Å; K93-F98 HydrophobicContact CD-CE1 4.46Å; K93-F98 HydrophobicContact CD-CE2 4.37Å; K93-F98 HydrophobicContact CD-CZ 4.38Å; K93-F98 HydrophobicContact CG-CB 4.15Å; K93-F98 HydrophobicContact CG-CD1 3.97Å; K93-F98 HydrophobicContact CG-CD2 3.44Å; K93-F98 VanDerWaalsContact CG-CD2 3.44Å; K93-F98 HydrophobicContact CG-CE1 4.26Å; K93-F98 HydrophobicContact CG-CE2 3.8Å; K93-F98 HydrophobicContact CG-CG 3.55Å; K93-F98 HydrophobicContact CG-CZ 4.2Å
94	M	82.8	Confident	74.8	Confident	130 Å²	130	84 Å²	84	64%	0.64	43%	0.429	S	S	*	.	H	α-helix	trans	-64.4	-30.5	-178	-168.1	173.9	179.7	0	0	113.3	V90 I91 G96	V90-M94 WeakPolarHBondContact O-CB 3.28Å; V90-M94 PolarHBondContact O-N 3.42Å; I91-M94 PolarHBondContact O-N 2.85Å; M94-G96 VanDerWaalsContact C-N 3.32Å
95	K	79.4	Confident	72.8	Confident	104 Å²	104	91.3 Å²	91.3	45%	0.452	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-0.7	173.3	-69.7	177.8	179.3	177.8	0	114.3	D87 I91 K93 T97	D87-K95 IonicContact OD2-NZ 2.69Å; D87-K95 PolarHBondContact OD2-NZ 3.19Å; I91-K95 HydrophobicContact CG2-CD 3.92Å; I91-K95 HydrophobicContact CG2-CG 4.36Å; I91-K95 WeakPolarHBondContact O-CB 3.33Å; I91-K95 VanDerWaalsContact O-CG 3.31Å; I91-K95 WeakPolarHBondContact O-CG 3.36Å; I91-K95 PolarHBondContact O-N 2.82Å; K93-K95 VanDerWaalsContact C-N 3.29Å; K93-K95 PolarHBondContact O-N 2.9Å; K95-T97 HydrophobicContact CB-CG2 4.46Å; K95-T97 PolarHBondContact O-N 3.5Å; K95-T97 VanDerWaalsContact O-N 3.14Å
96	G	74.6	Confident	71	Confident	55 Å²	55	87.6 Å²	87.6	57%	0.567	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	-5.5	-175.4	0	0	0	0	0	115.6	K93 M94 F98	K93-G96 PolarHBondContact O-N 3.13Å; M94-G96 VanDerWaalsContact C-N 3.32Å; G96-F98 PolarHBondContact O-N 2.85Å
97	T	68.5	Low	69.2	Low	76 Å²	76	90.7 Å²	90.7	47%	0.466	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	25.7	-176.4	56	0	0	0	0	113.9	S92 K95	S92-T97 PolarHBondContact O-N 3.06Å; S92-T97 VanDerWaalsContact O-N 3.12Å; S92-T97 PolarHBondContact O-OG1 2.79Å; K95-T97 HydrophobicContact CB-CG2 4.46Å; K95-T97 PolarHBondContact O-N 3.5Å; K95-T97 VanDerWaalsContact O-N 3.14Å
98	F	55.5	Low	67.5	Low	29 Å²	29	94.4 Å²	94.4	13%	0.127	46%	0.464	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-37.9	-172.9	-153.3	-110.2	0	0	0	113.9	E89 S92 K93 G96 D100 K101 E102	E89-F98 HydrophobicContact CG-CE2 3.38Å; E89-F98 HydrophobicContact CG-CZ 3.55Å; S92-F98 PolarHBondContact O-N 2.89Å; K93-F98 HydrophobicContact CB-CD2 4.45Å; K93-F98 HydrophobicContact CD-CD2 4.44Å; K93-F98 HydrophobicContact CD-CE1 4.46Å; K93-F98 HydrophobicContact CD-CE2 4.37Å; K93-F98 HydrophobicContact CD-CZ 4.38Å; K93-F98 HydrophobicContact CG-CB 4.15Å; K93-F98 HydrophobicContact CG-CD1 3.97Å; K93-F98 HydrophobicContact CG-CD2 3.44Å; K93-F98 VanDerWaalsContact CG-CD2 3.44Å; K93-F98 HydrophobicContact CG-CE1 4.26Å; K93-F98 HydrophobicContact CG-CE2 3.8Å; K93-F98 HydrophobicContact CG-CG 3.55Å; K93-F98 HydrophobicContact CG-CZ 4.2Å; G96-F98 PolarHBondContact O-N 2.85Å; F98-D100 PolarHBondContact O-N 3.43Å; F98-D100 VanDerWaalsContact O-N 3.11Å; F98-K101 WeakPolarHBondContact O-CB 3.33Å; F98-K101 PolarHBondContact O-N 3.41Å; F98-E102 HydrophobicContact CD1-CG 3.91Å; F98-E102 WeakPolarHBondContact CD1-OE2 3.37Å; F98-E102 HydrophobicContact CE1-CG 3.66Å; F98-E102 PolarHBondContact O-N 2.91Å
99	S	55	Low	65.8	Low	70 Å²	70	99.2 Å²	99.2	49%	0.49	48%	0.481	S	S	.	.	H	α-helix	trans	-58.5	-30.3	-168.8	-52.5	0	0	0	0	114.1	E102 K103	S99-E102 PolarHBondContact O-N 3.35Å; S99-K103 WeakPolarHBondContact O-CB 3.23Å; S99-K103 WeakPolarHBondContact O-CG 3.01Å; S99-K103 PolarHBondContact O-N 2.67Å
100	D	52.6	Low	64.1	Low	114 Å²	114	99.7 Å²	99.7	61%	0.61	48%	0.482	S	S	*	.	H	α-helix	trans	-70.7	-33.4	177.7	-61.1	-56.6	0	0	0	112.9	F98 K104	F98-D100 PolarHBondContact O-N 3.43Å; F98-D100 VanDerWaalsContact O-N 3.11Å; D100-K104 VanDerWaalsContact O-CB 3.31Å; D100-K104 WeakPolarHBondContact O-CB 3.26Å; D100-K104 PolarHBondContact O-N 3.49Å
101	K	52.1	Low	62.5	Low	102 Å²	102	99.9 Å²	99.9	44%	0.443	49%	0.49	S	S	.	.	H	α-helix	trans	-68.3	-38.3	175.9	-68.8	178.9	178.4	176.5	0	110.8	D87 S92 F98 K105	D87-K101 PolarHBondContact O-NZ 2.7Å; S92-K101 PolarHBondContact OG-NZ 2.85Å; F98-K101 WeakPolarHBondContact O-CB 3.33Å; F98-K101 PolarHBondContact O-N 3.41Å; K101-K105 WeakPolarHBondContact O-CB 3.48Å; K101-K105 PolarHBondContact O-N 3.01Å; K101-K105 VanDerWaalsContact O-N 3.1Å
102	E	55.3	Low	60.8	Low	111 Å²	111	106.1 Å²	106.1	52%	0.519	52%	0.519	S	S	.	.	H	α-helix	trans	-74.1	-45.1	178.2	-63	-162.4	104	0	0	112.3	F98 S99 K104 K105 E106	F98-E102 HydrophobicContact CD1-CG 3.91Å; F98-E102 WeakPolarHBondContact CD1-OE2 3.37Å; F98-E102 HydrophobicContact CE1-CG 3.66Å; F98-E102 PolarHBondContact O-N 2.91Å; S99-E102 PolarHBondContact O-N 3.35Å; E102-K104 VanDerWaalsContact C-N 3.29Å; E102-K104 PolarHBondContact O-N 2.81Å; E102-K105 CarbonylContact O-C 3.59Å; E102-K105 WeakPolarHBondContact O-CA 3.45Å; E102-K105 WeakPolarHBondContact O-CB 3.4Å; E102-K105 PolarHBondContact O-N 2.84Å; E102-E106 PolarHBondContact O-N 3.02Å
103	K	51.2	Low	59.1	Low	148 Å²	148	110.9 Å²	110.9	64%	0.643	54%	0.541	S	S	*	.	H	α-helix	trans	-56	-41.8	172.5	-74.3	176.7	179.7	177.4	0	112.2	S99 K105 K107	S99-K103 WeakPolarHBondContact O-CB 3.23Å; S99-K103 WeakPolarHBondContact O-CG 3.01Å; S99-K103 PolarHBondContact O-N 2.67Å; K103-K105 VanDerWaalsContact C-N 3.33Å; K103-K105 PolarHBondContact O-N 3.31Å; K103-K107 WeakPolarHBondContact O-CB 3.35Å; K103-K107 PolarHBondContact O-N 3.42Å; K103-K107 VanDerWaalsContact O-N 3.1Å
104	K	51.7	Low	57.5	Low	174 Å²	174	109.3 Å²	109.3	76%	0.757	55%	0.547	S	S	*	.	H	α-helix	trans	-68	-29.9	175.8	-167.6	166.6	-176.3	172.1	0	112.9	D100 E102 K108	D100-K104 VanDerWaalsContact O-CB 3.31Å; D100-K104 WeakPolarHBondContact O-CB 3.26Å; D100-K104 PolarHBondContact O-N 3.49Å; E102-K104 VanDerWaalsContact C-N 3.29Å; E102-K104 PolarHBondContact O-N 2.81Å; K104-K108 PolarHBondContact O-N 3.35Å
105	K	52.1	Low	56.1	Low	158 Å²	158	106.1 Å²	106.1	69%	0.687	54%	0.542	S	S	*	.	H	α-helix	trans	-77.4	-41.2	177	-167.7	179.4	-179.1	-173.7	0	112.3	K101 E102 K103 K108 K109	K101-K105 WeakPolarHBondContact O-CB 3.48Å; K101-K105 PolarHBondContact O-N 3.01Å; K101-K105 VanDerWaalsContact O-N 3.1Å; E102-K105 CarbonylContact O-C 3.59Å; E102-K105 WeakPolarHBondContact O-CA 3.45Å; E102-K105 WeakPolarHBondContact O-CB 3.4Å; E102-K105 PolarHBondContact O-N 2.84Å; K103-K105 VanDerWaalsContact C-N 3.33Å; K103-K105 PolarHBondContact O-N 3.31Å; K105-K108 PolarHBondContact O-N 3.42Å; K105-K109 PolarHBondContact O-N 3.05Å
106	E	53.6	Low	54.6	Low	103 Å²	103	104.7 Å²	104.7	48%	0.481	55%	0.549	S	S	.	.	H	α-helix	trans	-67.6	-44.9	177.6	-165.2	-164	127.1	0	0	111.8	E102 K108 K109 K110	E102-E106 PolarHBondContact O-N 3.02Å; E106-K108 PolarHBondContact O-N 3.48Å; E106-K109 PolarHBondContact O-N 3.26Å; E106-K110 HydrophobicContact CG-CD 4.49Å; E106-K110 PolarHBondContact O-N 3.36Å; E106-K110 WeakPolarHBondContact OE1-CE 3.08Å; E106-K110 IonicContact OE1-NZ 2.65Å; E106-K110 PolarHBondContact OE1-NZ 2.87Å
107	K	52.9	Low	53.5	Low	172 Å²	172	106 Å²	106	75%	0.748	56%	0.555	S	S	*	*	H	α-helix	trans	-58.4	-33.4	175.4	-155.3	176.2	-169.8	-177.4	0	111.7	K103 A111	K103-K107 WeakPolarHBondContact O-CB 3.35Å; K103-K107 PolarHBondContact O-N 3.42Å; K103-K107 VanDerWaalsContact O-N 3.1Å; K107-A111 PolarHBondContact O-N 2.84Å
108	K	53.7	Low	52.5	Low	128 Å²	128	106.4 Å²	106.4	56%	0.557	57%	0.566	S	S	*	*	H	α-helix	trans	-73.6	-33.8	174.1	-168.2	166.2	-173.1	164.6	0	113.3	K104 K105 E106 Q112	K104-K108 PolarHBondContact O-N 3.35Å; K105-K108 PolarHBondContact O-N 3.42Å; E106-K108 PolarHBondContact O-N 3.48Å; K108-Q112 WeakPolarHBondContact O-CG 3.15Å; K108-Q112 PolarHBondContact O-N 3.39Å
109	K	53.3	Low	51.8	Low	123 Å²	123	112 Å²	112	54%	0.535	60%	0.598	S	S	.	*	H	α-helix	trans	-71	-47.9	177.1	-162.2	-177.2	-175.4	-106.2	0	111.9	K105 E106 A111 Q112 E113	K105-K109 PolarHBondContact O-N 3.05Å; E106-K109 PolarHBondContact O-N 3.26Å; K109-A111 PolarHBondContact O-N 3.47Å; K109-Q112 PolarHBondContact O-N 2.85Å; K109-E113 WeakPolarHBondContact CE-OE1 3.19Å; K109-E113 IonicContact NZ-OE1 2.72Å; K109-E113 PolarHBondContact NZ-OE1 2.83Å; K109-E113 PolarHBondContact O-N 2.95Å; K109-E113 VanDerWaalsContact O-N 3.1Å
110	K	51.9	Low	51.1	Low	126 Å²	126	113.5 Å²	113.5	55%	0.548	61%	0.614	S	S	.	*	H	α-helix	trans	-57.9	-35.4	176.6	-76.2	174.4	169.4	168.7	0	112.6	E106 A114	E106-K110 HydrophobicContact CG-CD 4.49Å; E106-K110 PolarHBondContact O-N 3.36Å; E106-K110 WeakPolarHBondContact OE1-CE 3.08Å; E106-K110 IonicContact OE1-NZ 2.65Å; E106-K110 PolarHBondContact OE1-NZ 2.87Å; K110-A114 PolarHBondContact O-N 2.95Å
111	A	54.7	Low	50.4	Low	64 Å²	64	112 Å²	112	53%	0.529	62%	0.618	S	S	.	*	H	α-helix	trans	-67.2	-30.6	173.9	0	0	0	0	0	114	K107 K109	K107-A111 PolarHBondContact O-N 2.84Å; K109-A111 PolarHBondContact O-N 3.47Å
112	Q	52.2	Low	49.5	Very low	134 Å²	134	117 Å²	117	63%	0.626	64%	0.639	S	S	*	*	H	α-helix	trans	-80.2	-35.4	177.7	-68.6	-175.1	-79.8	0	0	112.5	K108 K109 A115 A116	K108-Q112 WeakPolarHBondContact O-CG 3.15Å; K108-Q112 PolarHBondContact O-N 3.39Å; K109-Q112 PolarHBondContact O-N 2.85Å; Q112-A115 PolarHBondContact O-N 3.43Å; Q112-A116 PolarHBondContact O-N 3.16Å
113	E	51.4	Low	48.4	Very low	102 Å²	102	121.5 Å²	121.5	48%	0.477	66%	0.657	S	S	.	*	H	α-helix	trans	-68.2	-38.2	177.7	-72.4	161.2	167.4	0	0	111.4	K109 A116	K109-E113 WeakPolarHBondContact CE-OE1 3.19Å; K109-E113 IonicContact NZ-OE1 2.72Å; K109-E113 PolarHBondContact NZ-OE1 2.83Å; K109-E113 PolarHBondContact O-N 2.95Å; K109-E113 VanDerWaalsContact O-N 3.1Å; E113-A116 PolarHBondContact O-N 2.86Å
114	A	52.6	Low	47.8	Very low	72 Å²	72	120.2 Å²	120.2	60%	0.595	66%	0.664	S	S	*	*	H	α-helix	trans	-64.6	-37.9	174	0	0	0	0	0	113.6	K110 A116	K110-A114 PolarHBondContact O-N 2.95Å; A114-A116 VanDerWaalsContact C-N 3.32Å; A114-A116 PolarHBondContact O-N 3.23Å
115	A	53.2	Low	46.7	Very low	63 Å²	63	116.8 Å²	116.8	52%	0.521	66%	0.662	S	S	.	*	H	α-helix	trans	-70.6	-24.8	-179.1	0	0	0	0	0	113.7	Q112	Q112-A115 PolarHBondContact O-N 3.43Å
116	A	49.3	Very low	45.6	Very low	74 Å²	74	113.6 Å²	113.6	61%	0.612	67%	0.665	S	S	*	*	H	α-helix	trans	-72	-35.4	-179.8	0	0	0	0	0	112.9	Q112 E113 A114 A118	Q112-A116 PolarHBondContact O-N 3.16Å; E113-A116 PolarHBondContact O-N 2.86Å; A114-A116 VanDerWaalsContact C-N 3.32Å; A114-A116 PolarHBondContact O-N 3.23Å; A116-A118 VanDerWaalsContact C-N 3.32Å; A116-A118 PolarHBondContact O-N 3.32Å
117	A	50.2	Low	44.2	Very low	84 Å²	84	115.2 Å²	115.2	69%	0.694	68%	0.682	S	S	*	*	H	α-helix	trans	-69.8	-24.6	-175.1	0	0	0	0	0	114.1
118	A	48.2	Very low	43.1	Very low	84 Å²	84	115.1 Å²	115.1	69%	0.694	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-14.6	-173.1	0	0	0	0	0	114.9	A116	A116-A118 VanDerWaalsContact C-N 3.32Å; A116-A118 PolarHBondContact O-N 3.32Å
119	N	40.6	Very low	41.8	Very low	147 Å²	147	113.8 Å²	113.8	79%	0.786	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	5.9	-168.4	-104.3	-71.4	0	0	0	115.4	A121	N119-A121 PolarHBondContact O-N 3.43Å
120	A	39.4	Very low	40.7	Very low	100 Å²	100	114.6 Å²	114.6	83%	0.826	72%	0.716	S	S	*	*	S	Bend	trans	-85.2	-1.2	-170	0	0	0	0	0	115.8
121	A	37.9	Very low	40.5	Very low	84 Å²	84	114.3 Å²	114.3	69%	0.694	73%	0.728	S	S	*	*			trans	-128	130.1	-169.5	0	0	0	0	0	114.5	N119	N119-A121 PolarHBondContact O-N 3.43Å
122	K	34.2	Very low	39.2	Very low	206 Å²	206	115.3 Å²	115.3	90%	0.896	74%	0.736	S	S	*	*			trans	84.7	91.9	166.9	-55.4	-179.9	-179.7	179.4	0	119.3
123	K	32	Very low	38.1	Very low	206 Å²	206	117.9 Å²	117.9	90%	0.896	75%	0.748	S	S	*	*				-75.9	174.1	126.5	-81.4	-176	176.7	179.8	0	108.9
124	P	39.6	Very low	37.5	Very low	120 Å²	120	119.9 Å²	119.9	78%	0.779	77%	0.767	S	S	*	*			cis	-131.3	-159.1	13.1	47.8	-30.4	0	0	0	111.7
125	S	27.3	Very low	36.5	Very low	102 Å²	102	122 Å²	122	71%	0.713	78%	0.775	S	S	*	*			cis	-167.9	156.5	-16	27.3	0	0	0	0	110.1
126	A	29.8	Very low	35.6	Very low	92 Å²	92	123.3 Å²	123.3	76%	0.76	79%	0.785	S	S	*	*			trans	65.8	165.7	160.5	0	0	0	0	0	116.4
127	T	24.2	Very low	34.9	Very low	137 Å²	137	125 Å²	125	84%	0.84	79%	0.788	S	S	*	*			cis	-141.4	179.3	4.6	-32.2	0	0	0	0	111.1
128	L	29.5	Very low	34.3	Very low	169 Å²	169	129.7 Å²	129.7	89%	0.885	80%	0.796	S	S	*	*			trans	-86.5	144.3	-173.4	-62.5	150	0	0	0	114.3
129	A	26.6	Very low	34.2	Very low	100 Å²	100	128.6 Å²	128.6	83%	0.826	78%	0.78	S	S	*	*			trans	-162.4	136.4	150.5	0	0	0	0	0	112.3
130	V	29.6	Very low	34.6	Very low	140 Å²	140	127.1 Å²	127.1	85%	0.848	78%	0.779	S	S	*	*			trans	-156.1	166.5	168.6	-70.3	0	0	0	0	107.8
131	P	48.4	Very low	35.5	Very low	121 Å²	121	127.1 Å²	127.1	79%	0.786	77%	0.765	S	S	*	*			cis	-124.2	179.5	-5.1	40.6	-26.5	0	0	0	113.3
132	A	26.8	Very low	37	Very low	84 Å²	84	124.7 Å²	124.7	69%	0.694	74%	0.74	S	S	*	*				154.8	152.4	118.8	0	0	0	0	0	114.2
133	Q	28.6	Very low	39	Very low	188 Å²	188	118.8 Å²	118.8	88%	0.879	72%	0.723	S	S	*	*			trans	67	147.9	167.8	-55	-174.9	15.7	0	0	117.3
134	T	39.9	Very low	41.2	Very low	144 Å²	144	111.9 Å²	111.9	88%	0.883	70%	0.699	S	S	*	*			trans	-111	121.9	-160.5	48.9	0	0	0	0	113.9
135	P	32.1	Very low	43.3	Very low	118 Å²	118	106.6 Å²	106.6	77%	0.766	66%	0.664	S	S	*	*			trans	-115.9	175.5	152.7	25.9	-8.6	0	0	0	111.9
136	A	34	Very low	46.2	Very low	89 Å²	89	105.1 Å²	105.1	74%	0.736	65%	0.646	S	S	*	*			trans	-58.4	140.5	178.2	0	0	0	0	0	112.1	Q138	A136-Q138 PolarHBondContact O-N 2.86Å
137	V	34.3	Very low	49	Very low	110 Å²	110	103 Å²	103	67%	0.667	62%	0.621	S	S	*	*			trans	-64.3	91.4	-176	-176.1	0	0	0	0	111.4	K214	V137-K214 PolarHBondContact O-NZ 2.81Å
138	Q	37.9	Very low	52.2	Low	183 Å²	183	96.4 Å²	96.4	86%	0.855	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-73.7	120.2	163.7	-67.4	-179	-4.6	0	0	108	A136	A136-Q138 PolarHBondContact O-N 2.86Å
139	V	45.7	Very low	55.2	Low	60 Å²	60	90.9 Å²	90.9	36%	0.364	55%	0.55	S	S	.	.	P	Polyproline II helix	trans	-75.8	140.6	166.2	-84.1	0	0	0	0	108.2	D141 T216	V139-D141 PolarHBondContact O-N 2.98Å; V139-T216 HydrophobicContact CB-CG2 4.27Å; V139-T216 HydrophobicContact CG2-CG2 3.42Å; V139-T216 VanDerWaalsContact CG2-CG2 3.42Å
140	P	48.3	Very low	58.3	Low	117 Å²	117	86.1 Å²	86.1	76%	0.76	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-56	131.3	-172.1	-27.5	35	0	0	0	112.7	N142	P140-N142 PolarHBondContact O-N 3.02Å; P140-N142 VanDerWaalsContact O-N 3.13Å
141	D	58.4	Low	61.1	Low	100 Å²	100	81 Å²	81	54%	0.535	48%	0.478	S	S	.	.			trans	-69.5	114.3	177.8	-151.7	-122.4	0	0	0	109.3	V139 K199	V139-D141 PolarHBondContact O-N 2.98Å; D141-K199 VanDerWaalsContact CG-NZ 3.29Å; D141-K199 IonicContact OD1-NZ 2.66Å; D141-K199 PolarHBondContact OD1-NZ 3.12Å; D141-K199 VanDerWaalsContact OD1-NZ 3.1Å; D141-K199 WeakPolarHBondContact OD2-CE 3.44Å; D141-K199 IonicContact OD2-NZ 2.87Å; D141-K199 PolarHBondContact OD2-NZ 2.68Å
142	N	70.6	Confident	63	Low	32 Å²	32	79.1 Å²	79.1	17%	0.171	46%	0.462	C	S	.	.			trans	-80	147.9	-179.6	-159.6	85.3	0	0	0	109.2	P140 Y217 A218 K219	P140-N142 PolarHBondContact O-N 3.02Å; P140-N142 VanDerWaalsContact O-N 3.13Å; N142-Y217 WeakPolarHBondContact CB-O 3.24Å; N142-Y217 WeakPolarHBondContact O-CB 3.34Å; N142-Y217 WeakPolarHBondContact O-CD2 3.41Å; N142-A218 PolarHBondContact ND2-O 2.85Å; N142-K219 WeakPolarHBondContact OD1-CG 3.4Å
143	P	75.6	Confident	65.9	Low	83 Å²	83	75.5 Å²	75.5	54%	0.539	43%	0.431	S	S	.	.			trans	-52.2	146.9	-179.7	-30.8	36.2	0	0	0	113.6
144	P	78.9	Confident	68.6	Low	61 Å²	61	67.6 Å²	67.6	40%	0.396	40%	0.396	S	S	.	.			trans	-46	139.7	-176	-33	36.7	0	0	0	114.6	E192 Y217 K220	P144-E192 HydrophobicContact CB-CB 4.41Å; P144-E192 HydrophobicContact CB-CG 4.5Å; P144-Y217 HydrophobicContact CB-CE2 4.48Å; P144-Y217 HydrophobicContact CG-CE2 4.35Å; P144-K220 WeakPolarHBondContact O-CE 3.45Å; P144-K220 PolarHBondContact O-NZ 3.34Å
145	N	83.6	Confident	70.6	Confident	9 Å²	9	68 Å²	68	5%	0.048	39%	0.387	C	S	.	.			trans	-154.2	146.7	-174.2	-161.9	-9	0	0	0	109.9	I147 E192 Y217 A218	N145-I147 PolarHBondContact O-N 3.11Å; N145-I147 PolarHBondContact OD1-N 2.72Å; N145-E192 VanDerWaalsContact C-CB 3.49Å; N145-Y217 HydrophobicContact CB-CD1 4.26Å; N145-Y217 VanDerWaalsContact O-CD1 3.26Å; N145-Y217 WeakPolarHBondContact O-CD1 3.32Å; N145-A218 PolarHBondContact ND2-O 3.42Å
146	H	86.8	Confident	73	Confident	70 Å²	70	70 Å²	70	32%	0.324	39%	0.387	S	S	.	.	S	Bend	trans	-75.6	-10.1	173	64.3	-81.7	0	0	0	112.3	F189	H146-F189 PolarHBondContact O-N 2.72Å
147	I	90.1	Very high	75.5	Confident	47 Å²	47	66 Å²	66	24%	0.241	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	125.7	169.8	-54.3	175	0	0	0	109.4	N145 F186 V187 E188 A218	N145-I147 PolarHBondContact O-N 3.11Å; N145-I147 PolarHBondContact OD1-N 2.72Å; I147-F186 HydrophobicContact CG2-CB 4.1Å; I147-F186 HydrophobicContact CG2-CD1 3.91Å; I147-F186 HydrophobicContact CG2-CG 4.47Å; I147-V187 CarbonylContact C-O 3.4Å; I147-V187 WeakPolarHBondContact CA-O 3.48Å; I147-E188 HydrophobicContact CG1-CG 4.09Å; I147-A218 HydrophobicContact CB-CB 3.88Å; I147-A218 HydrophobicContact CG2-CB 3.65Å; I147-A218 VanDerWaalsContact O-CB 3.27Å; I147-A218 WeakPolarHBondContact O-CB 3.16Å; I147-A218 PolarHBondContact O-N 3.23Å
148	L	90.8	Very high	78	Confident	0 Å²	0	64 Å²	64	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	144.3	168.4	-57.4	-179.6	0	0	0	110.4	L150 F166 F186 V187 F189 G195 A198 K199 I215 T216 Y217	L148-L150 HydrophobicContact CB-CD1 4.01Å; L148-F166 HydrophobicContact CD1-CE1 3.96Å; L148-F186 CarbonylContact O-C 3.59Å; L148-F186 VanDerWaalsContact O-CA 3.26Å; L148-F186 WeakPolarHBondContact O-CA 3.11Å; L148-V187 HydrophobicContact CB-CB 4.42Å; L148-V187 PolarHBondContact N-O 3.05Å; L148-V187 PolarHBondContact O-N 2.98Å; L148-F189 HydrophobicContact CD1-CD2 4.25Å; L148-F189 HydrophobicContact CD1-CE2 3.89Å; L148-F189 HydrophobicContact CG-CD2 4.46Å; L148-G195 WeakPolarHBondContact CD1-O 3.24Å; L148-A198 HydrophobicContact CD1-CB 4.29Å; L148-K199 HydrophobicContact CD1-CB 4.18Å; L148-K199 HydrophobicContact CD2-CB 3.95Å; L148-I215 HydrophobicContact CB-CG2 4.03Å; L148-I215 HydrophobicContact CD1-CG2 4.05Å; L148-I215 HydrophobicContact CD2-CG2 4.4Å; L148-I215 HydrophobicContact CG-CG2 4.39Å; L148-T216 WeakPolarHBondContact CA-O 3.42Å; L148-Y217 HydrophobicContact CD2-CD1 3.82Å; L148-Y217 HydrophobicContact CD2-CE1 4.08Å
149	F	92.3	Very high	80.3	Confident	52 Å²	52	60.7 Å²	60.7	23%	0.228	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	125	168.7	172.6	-109.2	0	0	0	108.9	N151 I184 F186 I215 T216 A218	F149-N151 HydrophobicContact CE1-CB 3.82Å; F149-N151 HydrophobicContact CZ-CB 4.04Å; F149-I184 HydrophobicContact CE2-CB 3.88Å; F149-I184 HydrophobicContact CE2-CD1 4.29Å; F149-I184 HydrophobicContact CE2-CG2 3.91Å; F149-I184 HydrophobicContact CZ-CB 4.19Å; F149-I184 HydrophobicContact CZ-CG2 3.69Å; F149-F186 HydrophobicContact CB-CD1 4.31Å; F149-F186 HydrophobicContact CB-CE1 4.16Å; F149-F186 HydrophobicContact CD2-CD1 4.13Å; F149-F186 AromaticContact CD2-CE1 3.6Å; F149-F186 HydrophobicContact CD2-CE1 3.6Å; F149-F186 HydrophobicContact CD2-CE2 4.33Å; F149-F186 AromaticContact CD2-CZ 3.71Å; F149-F186 HydrophobicContact CD2-CZ 3.71Å; F149-F186 HydrophobicContact CE2-CE1 4.48Å; F149-F186 HydrophobicContact CE2-CZ 4.16Å; F149-F186 HydrophobicContact CG-CE1 4.29Å; F149-I215 WeakPolarHBondContact O-CA 3.15Å; F149-T216 PolarHBondContact N-O 3.31Å; F149-T216 PolarHBondContact O-N 2.8Å; F149-A218 HydrophobicContact CB-CB 4.18Å
150	L	91.9	Very high	82.1	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	137.1	178.6	-75.8	58.1	0	0	0	108.2	L148 L153 L162 F166 I184 A185 V187 M213 K214 I215	L148-L150 HydrophobicContact CB-CD1 4.01Å; L150-L153 HydrophobicContact CB-CD1 4.26Å; L150-L153 HydrophobicContact CB-CD2 4.34Å; L150-L153 HydrophobicContact CD2-CD2 4.45Å; L150-L162 HydrophobicContact CD2-CD1 4.37Å; L150-L162 HydrophobicContact CD2-CD2 3.94Å; L150-F166 HydrophobicContact CD1-CZ 4.15Å; L150-F166 HydrophobicContact CD2-CE2 3.68Å; L150-F166 HydrophobicContact CD2-CZ 3.78Å; L150-F166 HydrophobicContact CG-CZ 4.19Å; L150-I184 WeakPolarHBondContact O-CA 3.42Å; L150-I184 WeakPolarHBondContact O-CB 3.47Å; L150-A185 HydrophobicContact CB-CB 4.18Å; L150-A185 HydrophobicContact CD2-CB 4.28Å; L150-A185 PolarHBondContact N-O 2.98Å; L150-A185 PolarHBondContact O-N 2.9Å; L150-V187 HydrophobicContact CD1-CB 4.31Å; L150-V187 HydrophobicContact CD1-CG2 3.67Å; L150-V187 HydrophobicContact CD2-CG2 3.88Å; L150-V187 HydrophobicContact CG-CG2 4.46Å; L150-M213 HydrophobicContact CD2-SD 4.15Å; L150-M213 HydrophobicContact CG-SD 4.43Å; L150-K214 WeakPolarHBondContact CA-O 3.34Å; L150-I215 HydrophobicContact CD1-CG2 4.22Å; L150-I215 HydrophobicContact CG-CG1 4.48Å
151	N	88.8	Confident	84	Confident	32 Å²	32	60.5 Å²	60.5	17%	0.171	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	165.3	173.7	71.2	-72.3	0	0	0	112.1	F149 D183 I184 K214	F149-N151 HydrophobicContact CE1-CB 3.82Å; F149-N151 HydrophobicContact CZ-CB 4.04Å; N151-D183 CarbonylContact C-O 3.6Å; N151-D183 WeakPolarHBondContact CA-O 3.06Å; N151-I184 HydrophobicContact CB-CG2 3.93Å; N151-K214 PolarHBondContact N-O 3Å; N151-K214 PolarHBondContact O-N 2.89Å; N151-K214 WeakPolarHBondContact OD1-CB 3.24Å; N151-K214 PolarHBondContact OD1-O 3.3Å
152	N	87.4	Confident	85.5	Confident	82 Å²	82	55.8 Å²	55.8	44%	0.439	29%	0.285	S	S	.	.	S	Bend	trans	61.5	47.4	-171.8	-160.2	64.1	0	0	0	112.2	D183 C211 A212	N152-D183 PolarHBondContact N-O 3.32Å; N152-C211 PolarHBondContact O-SG 3.43Å; N152-A212 PolarHBondContact ND2-O 2.83Å
153	L	88.4	Confident	86.3	Confident	9 Å²	9	55.8 Å²	55.8	5%	0.047	29%	0.288	C	S	.	.			trans	-87.6	139.1	170.3	-56.4	176	0	0	0	110.2	L150 T157 L162 D183 A185 I207 M213	L150-L153 HydrophobicContact CB-CD1 4.26Å; L150-L153 HydrophobicContact CB-CD2 4.34Å; L150-L153 HydrophobicContact CD2-CD2 4.45Å; L153-T157 HydrophobicContact CB-CG2 4.45Å; L153-T157 HydrophobicContact CD1-CG2 4.5Å; L153-L162 HydrophobicContact CD1-CD1 4.07Å; L153-L162 HydrophobicContact CD2-CD2 4.32Å; L153-D183 PolarHBondContact N-O 3.21Å; L153-D183 VanDerWaalsContact N-O 3.07Å; L153-A185 HydrophobicContact CD1-CB 3.69Å; L153-I207 HydrophobicContact CD2-CD1 3.51Å; L153-M213 HydrophobicContact CD2-CB 3.75Å; L153-M213 HydrophobicContact CD2-SD 4.16Å
154	P	85	Confident	86.7	Confident	21 Å²	21	58.1 Å²	58.1	14%	0.136	29%	0.293	C	S	.	.			trans	-69.1	149.7	171.5	22.4	-26.2	0	0	0	111.6	E156 T157 I207 T208 C211	P154-E156 PolarHBondContact O-N 3.06Å; P154-E156 VanDerWaalsContact O-N 3.12Å; P154-T157 WeakPolarHBondContact CD-OG1 3.37Å; P154-T157 VanDerWaalsContact CG-OG1 3.29Å; P154-T157 WeakPolarHBondContact CG-OG1 3.37Å; P154-T157 WeakPolarHBondContact O-CB 2.95Å; P154-T157 PolarHBondContact O-N 3.15Å; P154-T157 PolarHBondContact O-OG1 3.47Å; P154-I207 HydrophobicContact CG-CB 4.25Å; P154-I207 HydrophobicContact CG-CG2 4.08Å; P154-T208 HydrophobicContact CB-CG2 4.35Å; P154-T208 HydrophobicContact CG-CG2 3.85Å; P154-C211 HydrophobicContact CB-CB 4.13Å; P154-C211 HydrophobicContact CG-CB 3.97Å
155	E	81.8	Confident	87.1	Confident	153 Å²	153	56.6 Å²	56.6	72%	0.715	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-28.7	-171.9	-173.2	175.4	176.1	0	0	114.5	T157 H182	E155-T157 PolarHBondContact O-N 3.39Å; E155-H182 HydrophobicContact CG-CB 4.16Å
156	E	83.1	Confident	87.5	Confident	160 Å²	160	56.1 Å²	56.1	75%	0.748	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-14.2	175.7	-57.8	-177.6	151.3	0	0	113.4	P154 N158	P154-E156 PolarHBondContact O-N 3.06Å; P154-E156 VanDerWaalsContact O-N 3.12Å; E156-N158 PolarHBondContact O-N 2.85Å
157	T	85	Confident	87.7	Confident	5 Å²	5	58 Å²	58	3%	0.031	29%	0.291	C	S	.	.			trans	-63.1	122.3	-179	-52.9	0	0	0	0	110.4	L153 P154 E155 L162 I207	L153-T157 HydrophobicContact CB-CG2 4.45Å; L153-T157 HydrophobicContact CD1-CG2 4.5Å; P154-T157 WeakPolarHBondContact CD-OG1 3.37Å; P154-T157 VanDerWaalsContact CG-OG1 3.29Å; P154-T157 WeakPolarHBondContact CG-OG1 3.37Å; P154-T157 WeakPolarHBondContact O-CB 2.95Å; P154-T157 PolarHBondContact O-N 3.15Å; P154-T157 PolarHBondContact O-OG1 3.47Å; E155-T157 PolarHBondContact O-N 3.39Å; T157-L162 HydrophobicContact CG2-CD1 3.8Å; T157-L162 HydrophobicContact CG2-CD2 3.86Å; T157-L162 HydrophobicContact CG2-CG 3.62Å; T157-I207 HydrophobicContact CG2-CD1 4.28Å
158	N	87.1	Confident	87.5	Confident	68 Å²	68	61.7 Å²	61.7	36%	0.364	31%	0.308	S	S	.	.			trans	-119.1	164.5	178.5	62.7	72	0	0	0	112.2	E156 M160 M161 L162	E156-N158 PolarHBondContact O-N 2.85Å; N158-M160 PolarHBondContact O-N 3.16Å; N158-M160 VanDerWaalsContact O-N 3.16Å; N158-M160 WeakPolarHBondContact OD1-CB 3.49Å; N158-M160 PolarHBondContact OD1-N 3.17Å; N158-M160 VanDerWaalsContact OD1-N 3.15Å; N158-M161 PolarHBondContact ND2-SD 3.16Å; N158-M161 PolarHBondContact O-N 3.02Å; N158-M161 VanDerWaalsContact O-N 3.17Å; N158-M161 PolarHBondContact OD1-N 2.92Å; N158-L162 PolarHBondContact O-N 3.17Å; N158-L162 VanDerWaalsContact O-N 3.16Å
159	E	87.1	Confident	87.5	Confident	113 Å²	113	63.2 Å²	63.2	53%	0.528	31%	0.314	S	S	.	.	H	α-helix	trans	-54	-33.7	-178.7	-168	-177.3	119.2	0	0	112.7	S163 V175 L177	E159-S163 VanDerWaalsContact O-CB 3.23Å; E159-S163 WeakPolarHBondContact O-CB 3.41Å; E159-S163 PolarHBondContact O-N 3.41Å; E159-S163 PolarHBondContact O-OG 3.16Å; E159-V175 HydrophobicContact CG-CB 4.28Å; E159-L177 HydrophobicContact CB-CD1 4.11Å
160	M	83.9	Confident	87	Confident	94 Å²	94	65.3 Å²	65.3	46%	0.463	33%	0.333	S	S	.	.	H	α-helix	trans	-75.5	-40.3	-179.1	-174.8	173.8	174.5	0	0	112.1	M1 N158 S163 M164	M1-M160 HydrophobicContact CE-CE 4.2Å; M1-M160 HydrophobicContact CE-SD 3.75Å; N158-M160 PolarHBondContact O-N 3.16Å; N158-M160 VanDerWaalsContact O-N 3.16Å; N158-M160 WeakPolarHBondContact OD1-CB 3.49Å; N158-M160 PolarHBondContact OD1-N 3.17Å; N158-M160 VanDerWaalsContact OD1-N 3.15Å; M160-S163 PolarHBondContact O-N 3.44Å; M160-M164 HydrophobicContact CE-CE 3.57Å; M160-M164 HydrophobicContact CG-CE 4.47Å; M160-M164 HydrophobicContact CG-SD 4.48Å; M160-M164 WeakPolarHBondContact O-CB 3.44Å; M160-M164 WeakPolarHBondContact O-CG 3.37Å; M160-M164 PolarHBondContact O-N 3.42Å
161	M	86.8	Confident	86.7	Confident	79 Å²	79	66.4 Å²	66.4	39%	0.389	34%	0.344	S	S	.	.	H	α-helix	trans	-61.6	-46.8	173.5	-69.3	169.3	68.2	0	0	111.4	N158 M164 L165 I207	N158-M161 PolarHBondContact ND2-SD 3.16Å; N158-M161 PolarHBondContact O-N 3.02Å; N158-M161 VanDerWaalsContact O-N 3.17Å; N158-M161 PolarHBondContact OD1-N 2.92Å; M161-M164 PolarHBondContact O-N 2.9Å; M161-L165 WeakPolarHBondContact O-CB 3.26Å; M161-L165 PolarHBondContact O-N 2.92Å; M161-I207 HydrophobicContact CE-CG2 3.99Å
162	L	90.3	Very high	86.8	Confident	1 Å²	1	66.8 Å²	66.8	1%	0.005	34%	0.344	C	S	.	.	H	α-helix	trans	-66.9	-40.1	176.8	-67.8	174.9	0	0	0	111.6	L150 L153 T157 N158 M164 L165 F166 V175 L177 A185 I207	L150-L162 HydrophobicContact CD2-CD1 4.37Å; L150-L162 HydrophobicContact CD2-CD2 3.94Å; L153-L162 HydrophobicContact CD1-CD1 4.07Å; L153-L162 HydrophobicContact CD2-CD2 4.32Å; T157-L162 HydrophobicContact CG2-CD1 3.8Å; T157-L162 HydrophobicContact CG2-CD2 3.86Å; T157-L162 HydrophobicContact CG2-CG 3.62Å; N158-L162 PolarHBondContact O-N 3.17Å; N158-L162 VanDerWaalsContact O-N 3.16Å; L162-M164 VanDerWaalsContact C-N 3.34Å; L162-M164 PolarHBondContact O-N 2.91Å; L162-L165 PolarHBondContact O-N 2.97Å; L162-L165 VanDerWaalsContact O-N 3.17Å; L162-F166 HydrophobicContact CD2-CE2 4.39Å; L162-F166 WeakPolarHBondContact O-CD2 3.44Å; L162-F166 PolarHBondContact O-N 2.83Å; L162-V175 HydrophobicContact CB-CB 4.38Å; L162-V175 HydrophobicContact CB-CG1 3.77Å; L162-V175 HydrophobicContact CB-CG2 3.91Å; L162-V175 HydrophobicContact CD1-CG1 3.76Å; L162-V175 HydrophobicContact CG-CG1 4.45Å; L162-L177 HydrophobicContact CD1-CD2 4.1Å; L162-A185 HydrophobicContact CD1-CB 3.81Å; L162-I207 HydrophobicContact CD2-CD1 4.07Å
163	S	88.5	Confident	86.8	Confident	33 Å²	33	67.5 Å²	67.5	23%	0.231	34%	0.344	C	S	.	.	H	α-helix	trans	-60.9	-43.9	175.6	-62.1	0	0	0	0	111.1	E159 M160 L165 F166 N167	E159-S163 VanDerWaalsContact O-CB 3.23Å; E159-S163 WeakPolarHBondContact O-CB 3.41Å; E159-S163 PolarHBondContact O-N 3.41Å; E159-S163 PolarHBondContact O-OG 3.16Å; M160-S163 PolarHBondContact O-N 3.44Å; S163-L165 VanDerWaalsContact C-N 3.32Å; S163-L165 PolarHBondContact O-N 2.8Å; S163-F166 PolarHBondContact O-N 2.87Å; S163-N167 WeakPolarHBondContact O-CB 3.49Å; S163-N167 PolarHBondContact O-N 3.42Å
164	M	83.4	Confident	86.8	Confident	132 Å²	132	71.9 Å²	71.9	65%	0.65	36%	0.364	S	S	*	.	H	α-helix	trans	-60.3	-40.9	174.2	-74.5	173.4	162	0	0	112.4	M160 M161 L162	M160-M164 HydrophobicContact CE-CE 3.57Å; M160-M164 HydrophobicContact CG-CE 4.47Å; M160-M164 HydrophobicContact CG-SD 4.48Å; M160-M164 WeakPolarHBondContact O-CB 3.44Å; M160-M164 WeakPolarHBondContact O-CG 3.37Å; M160-M164 PolarHBondContact O-N 3.42Å; M161-M164 PolarHBondContact O-N 2.9Å; L162-M164 VanDerWaalsContact C-N 3.34Å; L162-M164 PolarHBondContact O-N 2.91Å
165	L	87.8	Confident	87.2	Confident	28 Å²	28	71.2 Å²	71.2	15%	0.147	36%	0.359	C	S	.	.	H	α-helix	trans	-72.2	-31.5	-178.8	-172.4	63.9	0	0	0	113.6	M161 L162 S163 Q168 L202 F205 M213	M161-L165 WeakPolarHBondContact O-CB 3.26Å; M161-L165 PolarHBondContact O-N 2.92Å; L162-L165 PolarHBondContact O-N 2.97Å; L162-L165 VanDerWaalsContact O-N 3.17Å; S163-L165 VanDerWaalsContact C-N 3.32Å; S163-L165 PolarHBondContact O-N 2.8Å; L165-Q168 WeakPolarHBondContact O-CG 3.5Å; L165-Q168 PolarHBondContact O-NE2 3.38Å; L165-L202 HydrophobicContact CD1-CD2 3.97Å; L165-L202 HydrophobicContact CD2-CD1 4.47Å; L165-L202 HydrophobicContact CG-CD1 4.05Å; L165-L202 HydrophobicContact CG-CD2 4.15Å; L165-F205 HydrophobicContact CD1-CD1 4.35Å; L165-F205 HydrophobicContact CD1-CE1 3.87Å; L165-F205 HydrophobicContact CD1-CE2 4.43Å; L165-F205 HydrophobicContact CD1-CZ 3.91Å; L165-F205 HydrophobicContact CD2-CD1 3.8Å; L165-F205 HydrophobicContact CD2-CE1 3.85Å; L165-M213 HydrophobicContact CD2-CE 3.56Å
166	F	90.5	Very high	87.6	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-97.2	-23.4	-178.8	-77.3	-97.1	0	0	0	113.8	L148 L150 L162 S163 Q168 F169 F172 V187 F189 A198 L202 M213 I215	L148-F166 HydrophobicContact CD1-CE1 3.96Å; L150-F166 HydrophobicContact CD1-CZ 4.15Å; L150-F166 HydrophobicContact CD2-CE2 3.68Å; L150-F166 HydrophobicContact CD2-CZ 3.78Å; L150-F166 HydrophobicContact CG-CZ 4.19Å; L162-F166 HydrophobicContact CD2-CE2 4.39Å; L162-F166 WeakPolarHBondContact O-CD2 3.44Å; L162-F166 PolarHBondContact O-N 2.83Å; S163-F166 PolarHBondContact O-N 2.87Å; F166-Q168 PolarHBondContact O-N 3.37Å; F166-Q168 VanDerWaalsContact O-N 3.16Å; F166-F169 PolarHBondContact O-N 3.08Å; F166-F172 HydrophobicContact CB-CD2 3.67Å; F166-F172 HydrophobicContact CB-CE2 3.87Å; F166-V187 HydrophobicContact CB-CG1 4.1Å; F166-V187 HydrophobicContact CD1-CB 4.39Å; F166-V187 HydrophobicContact CD1-CG1 3.89Å; F166-V187 HydrophobicContact CD1-CG2 4.28Å; F166-V187 HydrophobicContact CD2-CG2 4.25Å; F166-V187 HydrophobicContact CE1-CG2 4.35Å; F166-V187 HydrophobicContact CE2-CG2 4.34Å; F166-V187 HydrophobicContact CG-CG1 4.02Å; F166-V187 HydrophobicContact CG-CG2 4.22Å; F166-V187 HydrophobicContact CZ-CG2 4.38Å; F166-F189 HydrophobicContact CB-CZ 4.48Å; F166-F189 AromaticContact CD1-CE2 3.91Å; F166-F189 HydrophobicContact CD1-CE2 3.91Å; F166-F189 AromaticContact CD1-CZ 3.99Å; F166-F189 HydrophobicContact CD1-CZ 3.99Å; F166-A198 HydrophobicContact CD1-CB 4.29Å; F166-A198 HydrophobicContact CE1-CB 4.46Å; F166-L202 HydrophobicContact CD1-CD1 3.87Å; F166-L202 HydrophobicContact CD2-CD1 4.07Å; F166-L202 HydrophobicContact CE1-CD1 3.58Å; F166-L202 HydrophobicContact CE2-CD1 3.77Å; F166-L202 HydrophobicContact CG-CD1 4.13Å; F166-L202 HydrophobicContact CZ-CD1 3.52Å; F166-M213 HydrophobicContact CE2-CE 4.02Å; F166-M213 HydrophobicContact CE2-SD 4.39Å; F166-M213 HydrophobicContact CZ-CE 4.07Å; F166-M213 HydrophobicContact CZ-SD 4.49Å; F166-I215 HydrophobicContact CE1-CD1 4.32Å; F166-I215 HydrophobicContact CZ-CD1 3.89Å
167	N	91.2	Very high	87.7	Confident	110 Å²	110	65.4 Å²	65.4	59%	0.588	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-12.3	175.9	-173.2	103.5	0	0	0	113.7	S163 F169 F172	S163-N167 WeakPolarHBondContact O-CB 3.49Å; S163-N167 PolarHBondContact O-N 3.42Å; N167-F169 PolarHBondContact O-N 3.21Å; N167-F172 HydrophobicContact CB-CD1 3.75Å; N167-F172 HydrophobicContact CB-CE1 4.01Å; N167-F172 HydrophobicContact CB-CG 4.39Å
168	Q	86.3	Confident	87.7	Confident	124 Å²	124	67.1 Å²	67.1	58%	0.579	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-15	169.8	73.6	-173	-45.1	0	0	113	L165 F166	L165-Q168 WeakPolarHBondContact O-CG 3.5Å; L165-Q168 PolarHBondContact O-NE2 3.38Å; F166-Q168 PolarHBondContact O-N 3.37Å; F166-Q168 VanDerWaalsContact O-N 3.16Å
169	F	90.1	Very high	87.3	Confident	31 Å²	31	69.3 Å²	69.3	14%	0.136	36%	0.355	C	S	.	.	S	Bend	trans	-98.1	132.4	178.3	-64.6	-84.5	0	0	0	110.9	F166 N167 F172 F189 V197 A198 A201 L202	F166-F169 PolarHBondContact O-N 3.08Å; N167-F169 PolarHBondContact O-N 3.21Å; F169-F172 PolarHBondContact O-N 3.14Å; F169-F189 HydrophobicContact CB-CE1 3.78Å; F169-F189 HydrophobicContact CB-CZ 4.03Å; F169-V197 HydrophobicContact CD1-CG1 4.17Å; F169-V197 HydrophobicContact CE1-CG1 4.34Å; F169-A198 HydrophobicContact CB-CB 3.93Å; F169-A198 HydrophobicContact CD1-CB 3.95Å; F169-A198 HydrophobicContact CD2-CB 3.89Å; F169-A198 HydrophobicContact CE1-CB 4.49Å; F169-A198 HydrophobicContact CE2-CB 4.46Å; F169-A198 HydrophobicContact CG-CB 3.63Å; F169-A201 HydrophobicContact CE1-CB 3.65Å; F169-A201 HydrophobicContact CZ-CB 3.63Å; F169-L202 HydrophobicContact CD2-CD1 4.25Å; F169-L202 HydrophobicContact CE2-CD1 3.59Å; F169-L202 HydrophobicContact CE2-CD2 4.13Å; F169-L202 HydrophobicContact CE2-CG 3.7Å; F169-L202 HydrophobicContact CZ-CD1 4.35Å; F169-L202 HydrophobicContact CZ-CD2 4.38Å; F169-L202 HydrophobicContact CZ-CG 3.97Å
170	P	82.6	Confident	87	Confident	97 Å²	97	67.2 Å²	67.2	63%	0.63	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	141.9	178.1	-26.9	35.2	0	0	0	113.2	Q194	P170-Q194 WeakPolarHBondContact O-CB 3.27Å; P170-Q194 WeakPolarHBondContact O-CG 3.25Å
171	G	84.9	Confident	87	Confident	22 Å²	22	68.3 Å²	68.3	23%	0.227	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	7.3	176.9	0	0	0	0	0	115.7	F189 E190	G171-F189 CarbonylContact O-C 3.54Å; G171-F189 VanDerWaalsContact O-CA 3.24Å; G171-F189 WeakPolarHBondContact O-CA 3.43Å; G171-E190 PolarHBondContact O-N 3.26Å
172	F	90.9	Very high	86.8	Confident	40 Å²	40	69.4 Å²	69.4	18%	0.175	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	136.8	169.7	166.9	-100	0	0	0	111.8	F166 N167 F169 V175 V187 F189	F166-F172 HydrophobicContact CB-CD2 3.67Å; F166-F172 HydrophobicContact CB-CE2 3.87Å; N167-F172 HydrophobicContact CB-CD1 3.75Å; N167-F172 HydrophobicContact CB-CE1 4.01Å; N167-F172 HydrophobicContact CB-CG 4.39Å; F169-F172 PolarHBondContact O-N 3.14Å; F172-V175 HydrophobicContact CE2-CG2 3.65Å; F172-V175 HydrophobicContact CZ-CG2 3.88Å; F172-V187 HydrophobicContact CD2-CG1 3.85Å; F172-V187 HydrophobicContact CE2-CG1 3.87Å; F172-F189 HydrophobicContact CB-CD1 4.39Å; F172-F189 HydrophobicContact CB-CE1 3.88Å; F172-F189 HydrophobicContact CB-CZ 4.27Å
173	K	88.7	Confident	86.6	Confident	98 Å²	98	73 Å²	73	43%	0.426	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	-66.4	179.4	-65.9	167.7	175.7	158.2	0	114.3	E188 F189	K173-E188 HydrophobicContact CB-CB 4.39Å; K173-E188 WeakPolarHBondContact CB-O 3.2Å; K173-E188 HydrophobicContact CD-CB 4.43Å; K173-E188 HydrophobicContact CD-CG 3.86Å; K173-E188 WeakPolarHBondContact CD-OE1 3.22Å; K173-E188 WeakPolarHBondContact CE-OE1 3.45Å; K173-E188 PolarHBondContact N-O 2.81Å; K173-E188 IonicContact NZ-OE1 3.68Å; K173-E188 PolarHBondContact NZ-OE1 2.73Å; K173-F189 WeakPolarHBondContact CE-O 3.45Å; K173-F189 PolarHBondContact NZ-O 3.21Å
174	E	88.4	Confident	86.7	Confident	101 Å²	101	72.4 Å²	72.4	47%	0.472	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	148.3	-178.4	71.1	168.1	-131.2	0	0	112.4	V187 E188	E174-V187 WeakPolarHBondContact O-CA 3.4Å; E174-E188 HydrophobicContact CG-CB 4.23Å; E174-E188 PolarHBondContact O-N 2.87Å
175	V	92.5	Very high	87	Confident	7 Å²	7	66.1 Å²	66.1	4%	0.042	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	135.8	161.9	-176.1	0	0	0	0	108.6	E159 L162 F172 A185 F186 V187	E159-V175 HydrophobicContact CG-CB 4.28Å; L162-V175 HydrophobicContact CB-CB 4.38Å; L162-V175 HydrophobicContact CB-CG1 3.77Å; L162-V175 HydrophobicContact CB-CG2 3.91Å; L162-V175 HydrophobicContact CD1-CG1 3.76Å; L162-V175 HydrophobicContact CG-CG1 4.45Å; F172-V175 HydrophobicContact CE2-CG2 3.65Å; F172-V175 HydrophobicContact CZ-CG2 3.88Å; V175-A185 HydrophobicContact CG1-CB 4.36Å; V175-F186 WeakPolarHBondContact CA-O 3.08Å; V175-V187 HydrophobicContact CG1-CG2 4.29Å; V175-V187 HydrophobicContact CG2-CG2 4.13Å
176	R	90	Very high	87.3	Confident	141 Å²	141	68 Å²	68	53%	0.532	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	99.6	178.4	-175.2	172.7	163.6	-138.9	-13.8	111.4	F186	R176-F186 PolarHBondContact N-O 3.14Å; R176-F186 PolarHBondContact O-N 3.21Å
177	L	86.2	Confident	87.5	Confident	50 Å²	50	68 Å²	68	26%	0.262	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	150.5	168.9	-68.3	170.6	0	0	0	111.4	E159 L162 A185	E159-L177 HydrophobicContact CB-CD1 4.11Å; L162-L177 HydrophobicContact CD1-CD2 4.1Å; L177-A185 HydrophobicContact CD2-CB 3.98Å
178	V	84.3	Confident	87.5	Confident	41 Å²	41	65.5 Å²	65.5	25%	0.248	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	121.2	177.6	179.6	0	0	0	0	110.5	G180 K181 I184 F186	V178-G180 PolarHBondContact O-N 3.38Å; V178-G180 VanDerWaalsContact O-N 3.07Å; V178-K181 HydrophobicContact CB-CB 4.18Å; V178-K181 HydrophobicContact CG1-CB 4.11Å; V178-K181 CarbonylContact O-C 3.44Å; V178-K181 PolarHBondContact O-N 2.91Å; V178-I184 HydrophobicContact CB-CD1 3.95Å; V178-I184 HydrophobicContact CB-CG1 3.89Å; V178-I184 HydrophobicContact CG1-CD1 4.22Å; V178-I184 HydrophobicContact CG2-CD1 3.7Å; V178-I184 HydrophobicContact CG2-CG1 3.76Å; V178-F186 HydrophobicContact CG2-CD2 4.04Å; V178-F186 HydrophobicContact CG2-CE2 3.73Å
179	P	78.5	Confident	87.7	Confident	113 Å²	113	59.6 Å²	59.6	73%	0.734	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	116.3	178.6	-24.7	35	0	0	0	112
180	G	81.6	Confident	87.5	Confident	69 Å²	69	64.7 Å²	64.7	71%	0.711	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	89	6.3	-178.5	0	0	0	0	0	115.2	V178	V178-G180 PolarHBondContact O-N 3.38Å; V178-G180 VanDerWaalsContact O-N 3.07Å
181	K	83.9	Confident	87.5	Confident	118 Å²	118	62 Å²	62	51%	0.513	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	102	169.7	-69.8	-163.7	172.7	-163.1	0	109.9	V178 D183 I184	V178-K181 HydrophobicContact CB-CB 4.18Å; V178-K181 HydrophobicContact CG1-CB 4.11Å; V178-K181 CarbonylContact O-C 3.44Å; V178-K181 PolarHBondContact O-N 2.91Å; K181-D183 WeakPolarHBondContact CB-OD1 3.42Å; K181-I184 HydrophobicContact CB-CD1 3.84Å; K181-I184 HydrophobicContact CB-CG1 3.73Å; K181-I184 HydrophobicContact CD-CD1 3.65Å; K181-I184 HydrophobicContact CD-CG1 4.39Å; K181-I184 HydrophobicContact CG-CD1 4.4Å
182	H	82	Confident	87.5	Confident	102 Å²	102	65.2 Å²	65.2	47%	0.472	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-16.9	-175.4	-69.2	-114.1	0	0	0	112.6	E155 I184	E155-H182 HydrophobicContact CG-CB 4.16Å; H182-I184 VanDerWaalsContact C-N 3.27Å; H182-I184 PolarHBondContact O-N 2.86Å
183	D	85.8	Confident	87.1	Confident	77 Å²	77	68.3 Å²	68.3	41%	0.412	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	-9.5	179.3	60.6	-54.3	0	0	0	114.2	N151 N152 L153 K181	N151-D183 CarbonylContact C-O 3.6Å; N151-D183 WeakPolarHBondContact CA-O 3.06Å; N152-D183 PolarHBondContact N-O 3.32Å; L153-D183 PolarHBondContact N-O 3.21Å; L153-D183 VanDerWaalsContact N-O 3.07Å; K181-D183 WeakPolarHBondContact CB-OD1 3.42Å
184	I	90.3	Very high	87	Confident	19 Å²	19	66.1 Å²	66.1	10%	0.097	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	148.2	-173.9	62.1	176.5	0	0	0	114.1	F149 L150 N151 V178 K181 H182	F149-I184 HydrophobicContact CE2-CB 3.88Å; F149-I184 HydrophobicContact CE2-CD1 4.29Å; F149-I184 HydrophobicContact CE2-CG2 3.91Å; F149-I184 HydrophobicContact CZ-CB 4.19Å; F149-I184 HydrophobicContact CZ-CG2 3.69Å; L150-I184 WeakPolarHBondContact O-CA 3.42Å; L150-I184 WeakPolarHBondContact O-CB 3.47Å; N151-I184 HydrophobicContact CB-CG2 3.93Å; V178-I184 HydrophobicContact CB-CD1 3.95Å; V178-I184 HydrophobicContact CB-CG1 3.89Å; V178-I184 HydrophobicContact CG1-CD1 4.22Å; V178-I184 HydrophobicContact CG2-CD1 3.7Å; V178-I184 HydrophobicContact CG2-CG1 3.76Å; K181-I184 HydrophobicContact CB-CD1 3.84Å; K181-I184 HydrophobicContact CB-CG1 3.73Å; K181-I184 HydrophobicContact CD-CD1 3.65Å; K181-I184 HydrophobicContact CD-CG1 4.39Å; K181-I184 HydrophobicContact CG-CD1 4.4Å; H182-I184 VanDerWaalsContact C-N 3.27Å; H182-I184 PolarHBondContact O-N 2.86Å
185	A	91.3	Very high	86.9	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	165.4	172.3	0	0	0	0	0	111.2	L150 L153 L162 V175 L177	L150-A185 HydrophobicContact CB-CB 4.18Å; L150-A185 HydrophobicContact CD2-CB 4.28Å; L150-A185 PolarHBondContact N-O 2.98Å; L150-A185 PolarHBondContact O-N 2.9Å; L153-A185 HydrophobicContact CD1-CB 3.69Å; L162-A185 HydrophobicContact CD1-CB 3.81Å; V175-A185 HydrophobicContact CG1-CB 4.36Å; L177-A185 HydrophobicContact CD2-CB 3.98Å
186	F	93.7	Very high	86.6	Confident	67 Å²	67	61.2 Å²	61.2	29%	0.294	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	146.7	163	-64.4	-89.1	0	0	0	109.4	I147 L148 F149 V175 R176 V178 A218	I147-F186 HydrophobicContact CG2-CB 4.1Å; I147-F186 HydrophobicContact CG2-CD1 3.91Å; I147-F186 HydrophobicContact CG2-CG 4.47Å; L148-F186 CarbonylContact O-C 3.59Å; L148-F186 VanDerWaalsContact O-CA 3.26Å; L148-F186 WeakPolarHBondContact O-CA 3.11Å; F149-F186 HydrophobicContact CB-CD1 4.31Å; F149-F186 HydrophobicContact CB-CE1 4.16Å; F149-F186 HydrophobicContact CD2-CD1 4.13Å; F149-F186 AromaticContact CD2-CE1 3.6Å; F149-F186 HydrophobicContact CD2-CE1 3.6Å; F149-F186 HydrophobicContact CD2-CE2 4.33Å; F149-F186 AromaticContact CD2-CZ 3.71Å; F149-F186 HydrophobicContact CD2-CZ 3.71Å; F149-F186 HydrophobicContact CE2-CE1 4.48Å; F149-F186 HydrophobicContact CE2-CZ 4.16Å; F149-F186 HydrophobicContact CG-CE1 4.29Å; V175-F186 WeakPolarHBondContact CA-O 3.08Å; R176-F186 PolarHBondContact N-O 3.14Å; R176-F186 PolarHBondContact O-N 3.21Å; V178-F186 HydrophobicContact CG2-CD2 4.04Å; V178-F186 HydrophobicContact CG2-CE2 3.73Å; F186-A218 HydrophobicContact CD1-CB 4.04Å; F186-A218 HydrophobicContact CE1-CB 4.06Å
187	V	93.4	Very high	86.5	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	124	172.3	-177.6	0	0	0	0	108.4	I147 L148 L150 F166 F172 E174 V175 F189	I147-V187 CarbonylContact C-O 3.4Å; I147-V187 WeakPolarHBondContact CA-O 3.48Å; L148-V187 HydrophobicContact CB-CB 4.42Å; L148-V187 PolarHBondContact N-O 3.05Å; L148-V187 PolarHBondContact O-N 2.98Å; L150-V187 HydrophobicContact CD1-CB 4.31Å; L150-V187 HydrophobicContact CD1-CG2 3.67Å; L150-V187 HydrophobicContact CD2-CG2 3.88Å; L150-V187 HydrophobicContact CG-CG2 4.46Å; F166-V187 HydrophobicContact CB-CG1 4.1Å; F166-V187 HydrophobicContact CD1-CB 4.39Å; F166-V187 HydrophobicContact CD1-CG1 3.89Å; F166-V187 HydrophobicContact CD1-CG2 4.28Å; F166-V187 HydrophobicContact CD2-CG2 4.25Å; F166-V187 HydrophobicContact CE1-CG2 4.35Å; F166-V187 HydrophobicContact CE2-CG2 4.34Å; F166-V187 HydrophobicContact CG-CG1 4.02Å; F166-V187 HydrophobicContact CG-CG2 4.22Å; F166-V187 HydrophobicContact CZ-CG2 4.38Å; F172-V187 HydrophobicContact CD2-CG1 3.85Å; F172-V187 HydrophobicContact CE2-CG1 3.87Å; E174-V187 WeakPolarHBondContact O-CA 3.4Å; V175-V187 HydrophobicContact CG1-CG2 4.29Å; V175-V187 HydrophobicContact CG2-CG2 4.13Å; V187-F189 HydrophobicContact CG1-CD2 4.12Å; V187-F189 HydrophobicContact CG1-CE2 3.65Å; V187-F189 HydrophobicContact CG1-CZ 4.46Å
188	E	92.2	Very high	86.6	Confident	59 Å²	59	56.4 Å²	56.4	28%	0.276	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	132.1	176.9	-164.2	-173.4	135.8	0	0	110.9	I147 K173 E174	I147-E188 HydrophobicContact CG1-CG 4.09Å; K173-E188 HydrophobicContact CB-CB 4.39Å; K173-E188 WeakPolarHBondContact CB-O 3.2Å; K173-E188 HydrophobicContact CD-CB 4.43Å; K173-E188 HydrophobicContact CD-CG 3.86Å; K173-E188 WeakPolarHBondContact CD-OE1 3.22Å; K173-E188 WeakPolarHBondContact CE-OE1 3.45Å; K173-E188 PolarHBondContact N-O 2.81Å; K173-E188 IonicContact NZ-OE1 3.68Å; K173-E188 PolarHBondContact NZ-OE1 2.73Å; E174-E188 HydrophobicContact CG-CB 4.23Å; E174-E188 PolarHBondContact O-N 2.87Å
189	F	91.4	Very high	86.8	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	167.7	168.8	-79.6	-93.5	0	0	0	111.3	H146 L148 F166 F169 G171 F172 K173 V187 Q194 A198	H146-F189 PolarHBondContact O-N 2.72Å; L148-F189 HydrophobicContact CD1-CD2 4.25Å; L148-F189 HydrophobicContact CD1-CE2 3.89Å; L148-F189 HydrophobicContact CG-CD2 4.46Å; F166-F189 HydrophobicContact CB-CZ 4.48Å; F166-F189 AromaticContact CD1-CE2 3.91Å; F166-F189 HydrophobicContact CD1-CE2 3.91Å; F166-F189 AromaticContact CD1-CZ 3.99Å; F166-F189 HydrophobicContact CD1-CZ 3.99Å; F169-F189 HydrophobicContact CB-CE1 3.78Å; F169-F189 HydrophobicContact CB-CZ 4.03Å; G171-F189 CarbonylContact O-C 3.54Å; G171-F189 VanDerWaalsContact O-CA 3.24Å; G171-F189 WeakPolarHBondContact O-CA 3.43Å; F172-F189 HydrophobicContact CB-CD1 4.39Å; F172-F189 HydrophobicContact CB-CE1 3.88Å; F172-F189 HydrophobicContact CB-CZ 4.27Å; K173-F189 WeakPolarHBondContact CE-O 3.45Å; K173-F189 PolarHBondContact NZ-O 3.21Å; V187-F189 HydrophobicContact CG1-CD2 4.12Å; V187-F189 HydrophobicContact CG1-CE2 3.65Å; V187-F189 HydrophobicContact CG1-CZ 4.46Å; F189-Q194 HydrophobicContact CB-CB 4.46Å; F189-Q194 HydrophobicContact CD1-CB 3.88Å; F189-Q194 HydrophobicContact CG-CB 4.47Å; F189-A198 HydrophobicContact CE1-CB 4.08Å; F189-A198 HydrophobicContact CE2-CB 3.8Å; F189-A198 HydrophobicContact CZ-CB 3.39Å
190	E	84.6	Confident	87.2	Confident	137 Å²	137	55 Å²	55	64%	0.64	30%	0.298	S	S	*	.	S	Bend	trans	-71.7	-42.6	172.8	179.9	172.2	-137.2	0	0	112.5	G171	G171-E190 PolarHBondContact O-N 3.26Å
191	S	83.9	Confident	87.4	Confident	42 Å²	42	54.8 Å²	54.8	29%	0.294	29%	0.29	S	S	.	.			trans	-125.8	150.9	176.3	178	0	0	0	0	112.8	T193 Q194 G195	S191-T193 PolarHBondContact O-N 2.81Å; S191-T193 PolarHBondContact OG-N 3.02Å; S191-T193 PolarHBondContact OG-OG1 3.07Å; S191-Q194 PolarHBondContact O-N 3.05Å; S191-G195 PolarHBondContact O-N 2.9Å
192	E	84.3	Confident	87.6	Confident	88 Å²	88	49.5 Å²	49.5	41%	0.411	27%	0.267	S	S	.	.	H	α-helix	trans	-62.4	-27.8	169.8	61.8	-177.2	-157.1	0	0	112.7	P144 N145 G195 G196	P144-E192 HydrophobicContact CB-CB 4.41Å; P144-E192 HydrophobicContact CB-CG 4.5Å; N145-E192 VanDerWaalsContact C-CB 3.49Å; E192-G195 PolarHBondContact O-N 2.85Å; E192-G196 PolarHBondContact O-N 3.41Å
193	T	83.1	Confident	87.8	Confident	106 Å²	106	49 Å²	49	65%	0.65	27%	0.265	S	S	*	.	H	α-helix	trans	-65.3	-42.7	174.3	-39.5	0	0	0	0	111.6	S191 G196 V197	S191-T193 PolarHBondContact O-N 2.81Å; S191-T193 PolarHBondContact OG-N 3.02Å; S191-T193 PolarHBondContact OG-OG1 3.07Å; T193-G196 PolarHBondContact O-N 3.04Å; T193-V197 WeakPolarHBondContact O-CG2 3.37Å; T193-V197 PolarHBondContact O-N 2.92Å; T193-V197 VanDerWaalsContact O-N 3.14Å
194	Q	86.1	Confident	87.6	Confident	51 Å²	51	47.1 Å²	47.1	24%	0.238	26%	0.264	C	S	.	.	H	α-helix	trans	-69.4	-42.6	177.3	-70.3	159	-30.6	0	0	111.1	P170 F189 S191 G196 V197 A198	P170-Q194 WeakPolarHBondContact O-CB 3.27Å; P170-Q194 WeakPolarHBondContact O-CG 3.25Å; F189-Q194 HydrophobicContact CB-CB 4.46Å; F189-Q194 HydrophobicContact CD1-CB 3.88Å; F189-Q194 HydrophobicContact CG-CB 4.47Å; S191-Q194 PolarHBondContact O-N 3.05Å; Q194-G196 VanDerWaalsContact C-N 3.3Å; Q194-G196 PolarHBondContact O-N 3.36Å; Q194-V197 PolarHBondContact O-N 3.16Å; Q194-A198 PolarHBondContact O-N 2.93Å
195	G	87	Confident	87.4	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-57.8	-40.9	171.9	0	0	0	0	0	112.3	L148 S191 E192 A198 K199	L148-G195 WeakPolarHBondContact CD1-O 3.24Å; S191-G195 PolarHBondContact O-N 2.9Å; E192-G195 PolarHBondContact O-N 2.85Å; G195-A198 PolarHBondContact O-N 2.71Å; G195-K199 VanDerWaalsContact O-CB 3.25Å; G195-K199 WeakPolarHBondContact O-CB 3.28Å; G195-K199 PolarHBondContact O-N 3.13Å
196	G	85.4	Confident	87	Confident	6 Å²	6	58 Å²	58	6%	0.062	31%	0.306	C	S	.	.	H	α-helix	trans	-60	-49.7	174.5	0	0	0	0	0	113.1	E192 T193 Q194 A198 K199 D200 Y217	E192-G196 PolarHBondContact O-N 3.41Å; T193-G196 PolarHBondContact O-N 3.04Å; Q194-G196 VanDerWaalsContact C-N 3.3Å; Q194-G196 PolarHBondContact O-N 3.36Å; G196-A198 VanDerWaalsContact C-N 3.32Å; G196-A198 PolarHBondContact O-N 3.1Å; G196-K199 WeakPolarHBondContact O-CB 3.2Å; G196-K199 PolarHBondContact O-N 3.36Å; G196-D200 PolarHBondContact O-N 3.39Å; G196-Y217 WeakPolarHBondContact CA-OH 3.21Å
197	V	87	Confident	86.3	Confident	89 Å²	89	56.2 Å²	56.2	54%	0.539	30%	0.3	S	S	.	.	H	α-helix	trans	-58.9	-43.2	176.4	175	0	0	0	0	111.5	F169 T193 Q194 A201	F169-V197 HydrophobicContact CD1-CG1 4.17Å; F169-V197 HydrophobicContact CE1-CG1 4.34Å; T193-V197 WeakPolarHBondContact O-CG2 3.37Å; T193-V197 PolarHBondContact O-N 2.92Å; T193-V197 VanDerWaalsContact O-N 3.14Å; Q194-V197 PolarHBondContact O-N 3.16Å; V197-A201 WeakPolarHBondContact O-CB 3.42Å; V197-A201 PolarHBondContact O-N 2.86Å; V197-A201 VanDerWaalsContact O-N 3.08Å
198	A	88.6	Confident	85.5	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-67.7	-39	177.4	0	0	0	0	0	112.9	L148 F166 F169 F189 Q194 G195 G196 L202	L148-A198 HydrophobicContact CD1-CB 4.29Å; F166-A198 HydrophobicContact CD1-CB 4.29Å; F166-A198 HydrophobicContact CE1-CB 4.46Å; F169-A198 HydrophobicContact CB-CB 3.93Å; F169-A198 HydrophobicContact CD1-CB 3.95Å; F169-A198 HydrophobicContact CD2-CB 3.89Å; F169-A198 HydrophobicContact CE1-CB 4.49Å; F169-A198 HydrophobicContact CE2-CB 4.46Å; F169-A198 HydrophobicContact CG-CB 3.63Å; F189-A198 HydrophobicContact CE1-CB 4.08Å; F189-A198 HydrophobicContact CE2-CB 3.8Å; F189-A198 HydrophobicContact CZ-CB 3.39Å; Q194-A198 PolarHBondContact O-N 2.93Å; G195-A198 PolarHBondContact O-N 2.71Å; G196-A198 VanDerWaalsContact C-N 3.32Å; G196-A198 PolarHBondContact O-N 3.1Å; A198-L202 VanDerWaalsContact O-CB 3.28Å; A198-L202 WeakPolarHBondContact O-CB 3.38Å; A198-L202 WeakPolarHBondContact O-CG 3.48Å; A198-L202 PolarHBondContact O-N 3.16Å; A198-L202 VanDerWaalsContact O-N 3.16Å
199	K	89.4	Confident	84.5	Confident	15 Å²	15	59.7 Å²	59.7	7%	0.065	33%	0.334	C	S	.	.	H	α-helix	trans	-59.5	-54.5	174.2	170.4	-156.9	171.3	-168.4	0	110.6	D141 L148 G195 G196 L202 Q203 I215 Y217	D141-K199 VanDerWaalsContact CG-NZ 3.29Å; D141-K199 IonicContact OD1-NZ 2.66Å; D141-K199 PolarHBondContact OD1-NZ 3.12Å; D141-K199 VanDerWaalsContact OD1-NZ 3.1Å; D141-K199 WeakPolarHBondContact OD2-CE 3.44Å; D141-K199 IonicContact OD2-NZ 2.87Å; D141-K199 PolarHBondContact OD2-NZ 2.68Å; L148-K199 HydrophobicContact CD1-CB 4.18Å; L148-K199 HydrophobicContact CD2-CB 3.95Å; G195-K199 VanDerWaalsContact O-CB 3.25Å; G195-K199 WeakPolarHBondContact O-CB 3.28Å; G195-K199 PolarHBondContact O-N 3.13Å; G196-K199 WeakPolarHBondContact O-CB 3.2Å; G196-K199 PolarHBondContact O-N 3.36Å; K199-L202 PolarHBondContact O-N 2.9Å; K199-Q203 WeakPolarHBondContact O-CB 3.39Å; K199-Q203 PolarHBondContact O-N 2.88Å; K199-I215 HydrophobicContact CB-CG2 4.04Å; K199-I215 HydrophobicContact CG-CB 4.2Å; K199-I215 HydrophobicContact CG-CG2 3.92Å; K199-Y217 HydrophobicContact CD-CD2 4.29Å; K199-Y217 HydrophobicContact CD-CE1 4.41Å; K199-Y217 HydrophobicContact CD-CE2 3.92Å
200	D	86.7	Confident	83.7	Confident	109 Å²	109	65.9 Å²	65.9	58%	0.583	37%	0.372	S	S	*	.	H	α-helix	trans	-72.5	-33.1	-170.6	-62.8	-21.9	0	0	0	111.5	G196	G196-D200 PolarHBondContact O-N 3.39Å
201	A	84.4	Confident	83.3	Confident	65 Å²	65	60.2 Å²	60.2	54%	0.537	35%	0.347	S	S	.	.	H	α-helix	trans	-74.8	-25.1	175.1	0	0	0	0	0	114.5	F169 V197	F169-A201 HydrophobicContact CE1-CB 3.65Å; F169-A201 HydrophobicContact CZ-CB 3.63Å; V197-A201 WeakPolarHBondContact O-CB 3.42Å; V197-A201 PolarHBondContact O-N 2.86Å; V197-A201 VanDerWaalsContact O-N 3.08Å
202	L	88.2	Confident	83.3	Confident	7 Å²	7	59.4 Å²	59.4	4%	0.037	34%	0.343	C	S	.	.	H	α-helix	trans	-109	2.4	-179	-65.5	178.1	0	0	0	114	L165 F166 F169 A198 K199 G204 F205 M213 I215	L165-L202 HydrophobicContact CD1-CD2 3.97Å; L165-L202 HydrophobicContact CD2-CD1 4.47Å; L165-L202 HydrophobicContact CG-CD1 4.05Å; L165-L202 HydrophobicContact CG-CD2 4.15Å; F166-L202 HydrophobicContact CD1-CD1 3.87Å; F166-L202 HydrophobicContact CD2-CD1 4.07Å; F166-L202 HydrophobicContact CE1-CD1 3.58Å; F166-L202 HydrophobicContact CE2-CD1 3.77Å; F166-L202 HydrophobicContact CG-CD1 4.13Å; F166-L202 HydrophobicContact CZ-CD1 3.52Å; F169-L202 HydrophobicContact CD2-CD1 4.25Å; F169-L202 HydrophobicContact CE2-CD1 3.59Å; F169-L202 HydrophobicContact CE2-CD2 4.13Å; F169-L202 HydrophobicContact CE2-CG 3.7Å; F169-L202 HydrophobicContact CZ-CD1 4.35Å; F169-L202 HydrophobicContact CZ-CD2 4.38Å; F169-L202 HydrophobicContact CZ-CG 3.97Å; A198-L202 VanDerWaalsContact O-CB 3.28Å; A198-L202 WeakPolarHBondContact O-CB 3.38Å; A198-L202 WeakPolarHBondContact O-CG 3.48Å; A198-L202 PolarHBondContact O-N 3.16Å; A198-L202 VanDerWaalsContact O-N 3.16Å; K199-L202 PolarHBondContact O-N 2.9Å; L202-G204 PolarHBondContact O-N 3.46Å; L202-F205 HydrophobicContact CB-CB 4.47Å; L202-F205 HydrophobicContact CD2-CB 4.42Å; L202-F205 HydrophobicContact CD2-CD2 4.22Å; L202-F205 HydrophobicContact CD2-CG 4.28Å; L202-F205 WeakPolarHBondContact O-CB 3.29Å; L202-F205 PolarHBondContact O-N 3.43Å; L202-M213 HydrophobicContact CB-CE 3.78Å; L202-M213 HydrophobicContact CD1-CE 4.23Å; L202-M213 HydrophobicContact CG-CE 4.45Å; L202-I215 HydrophobicContact CB-CD1 3.53Å
203	Q	86.5	Confident	83.4	Confident	92 Å²	92	55.2 Å²	55.2	43%	0.43	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	122.2	179.8	-177.3	68.6	-70.8	0	0	110.9	K199 F205 I215	K199-Q203 WeakPolarHBondContact O-CB 3.39Å; K199-Q203 PolarHBondContact O-N 2.88Å; Q203-F205 VanDerWaalsContact C-N 3.26Å; Q203-F205 PolarHBondContact O-N 3.03Å; Q203-I215 PolarHBondContact NE2-O 2.76Å
204	G	83.2	Confident	83.7	Confident	38 Å²	38	53.5 Å²	53.5	39%	0.392	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	7.2	-176.8	0	0	0	0	0	114.8	L202 R206 A212 M213	L202-G204 PolarHBondContact O-N 3.46Å; G204-R206 PolarHBondContact O-N 3Å; G204-A212 WeakPolarHBondContact O-CB 3.16Å; G204-M213 WeakPolarHBondContact CA-O 3.35Å; G204-M213 PolarHBondContact N-O 3.04Å
205	F	85.4	Confident	83.9	Confident	89 Å²	89	51.1 Å²	51.1	39%	0.39	30%	0.296	S	S	.	.			trans	-59.1	134.7	178.3	-179	-89	0	0	0	111.6	L165 L202 Q203 I207 A212 M213	L165-F205 HydrophobicContact CD1-CD1 4.35Å; L165-F205 HydrophobicContact CD1-CE1 3.87Å; L165-F205 HydrophobicContact CD1-CE2 4.43Å; L165-F205 HydrophobicContact CD1-CZ 3.91Å; L165-F205 HydrophobicContact CD2-CD1 3.8Å; L165-F205 HydrophobicContact CD2-CE1 3.85Å; L202-F205 HydrophobicContact CB-CB 4.47Å; L202-F205 HydrophobicContact CD2-CB 4.42Å; L202-F205 HydrophobicContact CD2-CD2 4.22Å; L202-F205 HydrophobicContact CD2-CG 4.28Å; L202-F205 WeakPolarHBondContact O-CB 3.29Å; L202-F205 PolarHBondContact O-N 3.43Å; Q203-F205 VanDerWaalsContact C-N 3.26Å; Q203-F205 PolarHBondContact O-N 3.03Å; F205-I207 HydrophobicContact CD1-CG1 4.22Å; F205-I207 PolarHBondContact O-N 2.84Å; F205-A212 WeakPolarHBondContact O-CA 3.44Å; F205-M213 HydrophobicContact CB-CE 3.88Å; F205-M213 HydrophobicContact CD1-CE 4.19Å; F205-M213 HydrophobicContact CG-CE 4.38Å; F205-M213 PolarHBondContact O-N 3.07Å
206	R	82.1	Confident	84	Confident	158 Å²	158	51.7 Å²	51.7	60%	0.596	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	99.1	-177.3	-72.9	-179.4	-177	-101.1	-3.7	111	G204 T208 A209 C211 A212	G204-R206 PolarHBondContact O-N 3Å; R206-T208 VanDerWaalsContact C-N 3.29Å; R206-A209 PolarHBondContact NH1-O 3.35Å; R206-C211 WeakPolarHBondContact CA-O 3.42Å; R206-A212 HydrophobicContact CG-CB 4Å
207	I	79.7	Confident	84.2	Confident	30 Å²	30	52.5 Å²	52.5	15%	0.154	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	-36.2	174.2	-60	179.2	0	0	0	110.3	L153 P154 T157 M161 L162 F205 C211 M213	L153-I207 HydrophobicContact CD2-CD1 3.51Å; P154-I207 HydrophobicContact CG-CB 4.25Å; P154-I207 HydrophobicContact CG-CG2 4.08Å; T157-I207 HydrophobicContact CG2-CD1 4.28Å; M161-I207 HydrophobicContact CE-CG2 3.99Å; L162-I207 HydrophobicContact CD2-CD1 4.07Å; F205-I207 HydrophobicContact CD1-CG1 4.22Å; F205-I207 PolarHBondContact O-N 2.84Å; I207-C211 PolarHBondContact N-O 3.42Å; I207-C211 VanDerWaalsContact N-O 3.16Å; I207-M213 HydrophobicContact CD1-CB 4.05Å; I207-M213 HydrophobicContact CD1-CG 4.16Å; I207-M213 HydrophobicContact CD1-SD 3.84Å; I207-M213 HydrophobicContact CG1-CB 4.47Å; I207-M213 HydrophobicContact CG1-CG 4.33Å; I207-M213 HydrophobicContact CG1-SD 4.34Å
208	T	75.6	Confident	84.1	Confident	42 Å²	42	48.5 Å²	48.5	26%	0.258	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	161.2	167.4	62.9	0	0	0	0	109.2	P154 R206 T210 C211	P154-T208 HydrophobicContact CB-CG2 4.35Å; P154-T208 HydrophobicContact CG-CG2 3.85Å; R206-T208 VanDerWaalsContact C-N 3.29Å; T208-T210 PolarHBondContact O-N 2.9Å; T208-C211 PolarHBondContact O-N 3.01Å; T208-C211 VanDerWaalsContact OG1-CB 3.24Å; T208-C211 WeakPolarHBondContact OG1-CB 3.15Å; T208-C211 PolarHBondContact OG1-N 3.25Å
209	A	72.1	Confident	83.8	Confident	89 Å²	89	56.8 Å²	56.8	74%	0.736	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-35.9	-177.2	0	0	0	0	0	113.4	R206	R206-A209 PolarHBondContact NH1-O 3.35Å
210	T	74.2	Confident	82.4	Confident	131 Å²	131	65.8 Å²	65.8	80%	0.804	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-20.4	-179.8	51.7	0	0	0	0	114.6	T208	T208-T210 PolarHBondContact O-N 2.9Å
211	C	76.8	Confident	82.2	Confident	17 Å²	17	63.6 Å²	63.6	12%	0.115	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	105.5	-166.9	-152.1	0	0	0	0	112.7	N152 P154 R206 I207 T208	N152-C211 PolarHBondContact O-SG 3.43Å; P154-C211 HydrophobicContact CB-CB 4.13Å; P154-C211 HydrophobicContact CG-CB 3.97Å; R206-C211 WeakPolarHBondContact CA-O 3.42Å; I207-C211 PolarHBondContact N-O 3.42Å; I207-C211 VanDerWaalsContact N-O 3.16Å; T208-C211 PolarHBondContact O-N 3.01Å; T208-C211 VanDerWaalsContact OG1-CB 3.24Å; T208-C211 WeakPolarHBondContact OG1-CB 3.15Å; T208-C211 PolarHBondContact OG1-N 3.25Å
212	A	83.1	Confident	82.1	Confident	26 Å²	26	63.5 Å²	63.5	22%	0.215	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	118.7	171.3	0	0	0	0	0	110	N152 G204 F205 R206	N152-A212 PolarHBondContact ND2-O 2.83Å; G204-A212 WeakPolarHBondContact O-CB 3.16Å; F205-A212 WeakPolarHBondContact O-CA 3.44Å; R206-A212 HydrophobicContact CG-CB 4Å
213	M	87.8	Confident	81.8	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	35%	0.347	C	S	.	.			trans	-73.7	150.3	177.2	69.1	166.1	171.2	0	0	111.4	L150 L153 L165 F166 L202 G204 F205 I207 I215	L150-M213 HydrophobicContact CD2-SD 4.15Å; L150-M213 HydrophobicContact CG-SD 4.43Å; L153-M213 HydrophobicContact CD2-CB 3.75Å; L153-M213 HydrophobicContact CD2-SD 4.16Å; L165-M213 HydrophobicContact CD2-CE 3.56Å; F166-M213 HydrophobicContact CE2-CE 4.02Å; F166-M213 HydrophobicContact CE2-SD 4.39Å; F166-M213 HydrophobicContact CZ-CE 4.07Å; F166-M213 HydrophobicContact CZ-SD 4.49Å; L202-M213 HydrophobicContact CB-CE 3.78Å; L202-M213 HydrophobicContact CD1-CE 4.23Å; L202-M213 HydrophobicContact CG-CE 4.45Å; G204-M213 WeakPolarHBondContact CA-O 3.35Å; G204-M213 PolarHBondContact N-O 3.04Å; F205-M213 HydrophobicContact CB-CE 3.88Å; F205-M213 HydrophobicContact CD1-CE 4.19Å; F205-M213 HydrophobicContact CG-CE 4.38Å; F205-M213 PolarHBondContact O-N 3.07Å; I207-M213 HydrophobicContact CD1-CB 4.05Å; I207-M213 HydrophobicContact CD1-CG 4.16Å; I207-M213 HydrophobicContact CD1-SD 3.84Å; I207-M213 HydrophobicContact CG1-CB 4.47Å; I207-M213 HydrophobicContact CG1-CG 4.33Å; I207-M213 HydrophobicContact CG1-SD 4.34Å; M213-I215 HydrophobicContact CE-CD1 4.04Å; M213-I215 HydrophobicContact SD-CD1 4.45Å; M213-I215 HydrophobicContact SD-CG1 4.45Å
214	K	88.5	Confident	81.5	Confident	70 Å²	70	65.2 Å²	65.2	30%	0.304	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	145	171.2	-69	-176.1	-179.5	-176.8	0	109.5	V137 L150 N151	V137-K214 PolarHBondContact O-NZ 2.81Å; L150-K214 WeakPolarHBondContact CA-O 3.34Å; N151-K214 PolarHBondContact N-O 3Å; N151-K214 PolarHBondContact O-N 2.89Å; N151-K214 WeakPolarHBondContact OD1-CB 3.24Å; N151-K214 PolarHBondContact OD1-O 3.3Å
215	I	90.9	Very high	81.4	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	132.4	-179.3	-45.4	179.6	0	0	0	108.8	L148 F149 L150 F166 K199 L202 Q203 M213	L148-I215 HydrophobicContact CB-CG2 4.03Å; L148-I215 HydrophobicContact CD1-CG2 4.05Å; L148-I215 HydrophobicContact CD2-CG2 4.4Å; L148-I215 HydrophobicContact CG-CG2 4.39Å; F149-I215 WeakPolarHBondContact O-CA 3.15Å; L150-I215 HydrophobicContact CD1-CG2 4.22Å; L150-I215 HydrophobicContact CG-CG1 4.48Å; F166-I215 HydrophobicContact CE1-CD1 4.32Å; F166-I215 HydrophobicContact CZ-CD1 3.89Å; K199-I215 HydrophobicContact CB-CG2 4.04Å; K199-I215 HydrophobicContact CG-CB 4.2Å; K199-I215 HydrophobicContact CG-CG2 3.92Å; L202-I215 HydrophobicContact CB-CD1 3.53Å; Q203-I215 PolarHBondContact NE2-O 2.76Å; M213-I215 HydrophobicContact CE-CD1 4.04Å; M213-I215 HydrophobicContact SD-CD1 4.45Å; M213-I215 HydrophobicContact SD-CG1 4.45Å
216	T	88.8	Confident	81.1	Confident	13 Å²	13	65.4 Å²	65.4	8%	0.08	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	167.6	164.8	69.8	0	0	0	0	109.5	V139 L148 F149	V139-T216 HydrophobicContact CB-CG2 4.27Å; V139-T216 HydrophobicContact CG2-CG2 3.42Å; V139-T216 VanDerWaalsContact CG2-CG2 3.42Å; L148-T216 WeakPolarHBondContact CA-O 3.42Å; F149-T216 PolarHBondContact N-O 3.31Å; F149-T216 PolarHBondContact O-N 2.8Å
217	Y	89.1	Confident	81	Confident	23 Å²	23	58.8 Å²	58.8	9%	0.09	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	144.3	159.7	-64.8	-68.3	0	0	0	109.9	N142 P144 N145 L148 G196 K199	N142-Y217 WeakPolarHBondContact CB-O 3.24Å; N142-Y217 WeakPolarHBondContact O-CB 3.34Å; N142-Y217 WeakPolarHBondContact O-CD2 3.41Å; P144-Y217 HydrophobicContact CB-CE2 4.48Å; P144-Y217 HydrophobicContact CG-CE2 4.35Å; N145-Y217 HydrophobicContact CB-CD1 4.26Å; N145-Y217 VanDerWaalsContact O-CD1 3.26Å; N145-Y217 WeakPolarHBondContact O-CD1 3.32Å; L148-Y217 HydrophobicContact CD2-CD1 3.82Å; L148-Y217 HydrophobicContact CD2-CE1 4.08Å; G196-Y217 WeakPolarHBondContact CA-OH 3.21Å; K199-Y217 HydrophobicContact CD-CD2 4.29Å; K199-Y217 HydrophobicContact CD-CE1 4.41Å; K199-Y217 HydrophobicContact CD-CE2 3.92Å
218	A	85.1	Confident	81.1	Confident	4 Å²	4	61 Å²	61	3%	0.033	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-74.1	152.1	174.8	0	0	0	0	0	111.1	N142 N145 I147 F149 F186	N142-A218 PolarHBondContact ND2-O 2.85Å; N145-A218 PolarHBondContact ND2-O 3.42Å; I147-A218 HydrophobicContact CB-CB 3.88Å; I147-A218 HydrophobicContact CG2-CB 3.65Å; I147-A218 VanDerWaalsContact O-CB 3.27Å; I147-A218 WeakPolarHBondContact O-CB 3.16Å; I147-A218 PolarHBondContact O-N 3.23Å; F149-A218 HydrophobicContact CB-CB 4.18Å; F186-A218 HydrophobicContact CD1-CB 4.04Å; F186-A218 HydrophobicContact CE1-CB 4.06Å
219	K	81.3	Confident	81.6	Confident	174 Å²	174	62.6 Å²	62.6	76%	0.757	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-66.2	136	173.8	-66.1	-170.7	172	-173.3	0	110.3	N142	N142-K219 WeakPolarHBondContact OD1-CG 3.4Å
220	K	61.7	Low	82.5	Confident	204 Å²	204	60.2 Å²	60.2	89%	0.887	30%	0.299	S	S	*	.			trans	-75.9	0	169	-65.8	-178.1	-178.7	175.2	0	109.1	P144	P144-K220 WeakPolarHBondContact O-CE 3.45Å; P144-K220 PolarHBondContact O-NZ 3.34Å

Retrieved 220 of 220 residues in 220.1 ms (Link to these results)

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