A0A060VU61_ONCMY Loading...

P1, F-box associated domain containing

AlphaFold DB , UniProt , Accession A0A060VU61, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene nccrp1, Length 237 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.4	Very low	70.6	Confident	218 Å²	218	86 Å²	86	100%	1.074	43%	0.427	S	S	*	.				0	-46.9	0	-73.9	-162.8	-100.9	0	0	112.5	T3 N4	M1-T3 PolarHBondContact O-N 3.47Å; M1-N4 PolarHBondContact O-N 3.35Å
2	A	55	Low	71.2	Confident	63 Å²	63	88.6 Å²	88.6	52%	0.521	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-35.1	-178.1	0	0	0	0	0	116.1	N4 E5	A2-N4 PolarHBondContact O-N 3.12Å; A2-N4 VanDerWaalsContact O-N 3.12Å; A2-E5 WeakPolarHBondContact O-CB 3.48Å; A2-E5 PolarHBondContact O-N 3.02Å
3	T	56.5	Low	71.9	Confident	78 Å²	78	90.3 Å²	90.3	48%	0.479	46%	0.457	S	S	.	.	H	α-helix	trans	-56.1	-32.8	-178.6	-17.2	0	0	0	0	113.2	M1 E5 K7	M1-T3 PolarHBondContact O-N 3.47Å; T3-E5 VanDerWaalsContact C-N 3.3Å; T3-E5 PolarHBondContact O-N 2.94Å; T3-K7 WeakPolarHBondContact O-CB 3.45Å; T3-K7 PolarHBondContact O-N 3.41Å
4	N	67.5	Low	72.3	Confident	97 Å²	97	87.1 Å²	87.1	52%	0.519	44%	0.436	S	S	.	.	H	α-helix	trans	-82.3	-7.4	-176.8	-142.1	3.4	0	0	0	113.1	M1 A2 K8	M1-N4 PolarHBondContact O-N 3.35Å; A2-N4 PolarHBondContact O-N 3.12Å; A2-N4 VanDerWaalsContact O-N 3.12Å; N4-K8 WeakPolarHBondContact O-CG 3.4Å
5	E	81.8	Confident	72.2	Confident	100 Å²	100	88.7 Å²	88.7	47%	0.467	45%	0.447	S	S	.	.	H	α-helix	trans	-88.2	-49.2	174	-169	-174.5	158.8	0	0	110.9	A2 T3 K7 K8 R9	A2-E5 WeakPolarHBondContact O-CB 3.48Å; A2-E5 PolarHBondContact O-N 3.02Å; T3-E5 VanDerWaalsContact C-N 3.3Å; T3-E5 PolarHBondContact O-N 2.94Å; E5-K7 VanDerWaalsContact C-N 3.33Å; E5-K7 PolarHBondContact O-N 3.37Å; E5-K8 PolarHBondContact O-N 2.67Å; E5-R9 PolarHBondContact O-N 2.85Å; E5-R9 IonicContact OE1-CZ 3.53Å; E5-R9 IonicContact OE1-NE 2.81Å; E5-R9 PolarHBondContact OE1-NE 2.79Å; E5-R9 IonicContact OE1-NH2 3.45Å; E5-R9 PolarHBondContact OE1-NH2 3.16Å
6	W	78.2	Confident	72.1	Confident	53 Å²	53	84.6 Å²	84.6	20%	0.201	43%	0.426	C	S	.	.	H	α-helix	trans	-60.2	-42.7	177	-63.7	106.1	0	0	0	111.9	K8 R9 C10 W27 K28 Y31	W6-K8 VanDerWaalsContact C-N 3.33Å; W6-K8 PolarHBondContact O-N 2.67Å; W6-R9 PolarHBondContact O-N 2.68Å; W6-R9 VanDerWaalsContact O-N 3.1Å; W6-C10 PolarHBondContact O-N 3.47Å; W6-C10 PolarHBondContact O-SG 2.82Å; W6-C10 VanDerWaalsContact O-SG 3.33Å; W6-W27 HydrophobicContact CB-CB 3.84Å; W6-K28 HydrophobicContact CD2-CB 4.37Å; W6-K28 HydrophobicContact CD2-CG 4.26Å; W6-K28 HydrophobicContact CG-CB 4.07Å; W6-K28 HydrophobicContact CG-CG 4.45Å; W6-K28 HydrophobicContact CZ2-CG 4.3Å; W6-Y31 AromaticContact CE3-CD1 3.72Å; W6-Y31 HydrophobicContact CE3-CD1 3.72Å; W6-Y31 HydrophobicContact CE3-CD2 4.44Å; W6-Y31 HydrophobicContact CE3-CE1 4.25Å; W6-Y31 AromaticContact CE3-CG 3.82Å; W6-Y31 HydrophobicContact CE3-CG 3.82Å; W6-Y31 AromaticContact CZ3-CD1 3.44Å; W6-Y31 HydrophobicContact CZ3-CD1 3.44Å; W6-Y31 VanDerWaalsContact CZ3-CD1 3.44Å; W6-Y31 AromaticContact CZ3-CE1 3.66Å; W6-Y31 HydrophobicContact CZ3-CE1 3.66Å; W6-Y31 HydrophobicContact CZ3-CG 4.04Å
7	K	77.5	Confident	71.7	Confident	25 Å²	25	89.4 Å²	89.4	11%	0.109	44%	0.444	C	S	.	.	H	α-helix	trans	-48.7	-51.7	172	-166.5	179.2	-171.6	177.4	0	112.1	T3 E5 R9 C10 E11 M21 D23 W27	T3-K7 WeakPolarHBondContact O-CB 3.45Å; T3-K7 PolarHBondContact O-N 3.41Å; E5-K7 VanDerWaalsContact C-N 3.33Å; E5-K7 PolarHBondContact O-N 3.37Å; K7-R9 PolarHBondContact O-N 3.37Å; K7-C10 PolarHBondContact O-N 2.94Å; K7-E11 WeakPolarHBondContact O-CB 3.45Å; K7-E11 PolarHBondContact O-N 3.07Å; K7-M21 HydrophobicContact CD-CB 4.26Å; K7-M21 WeakPolarHBondContact CE-O 2.83Å; K7-M21 HydrophobicContact CG-CB 3.93Å; K7-M21 HydrophobicContact CG-CG 4.47Å; K7-M21 HydrophobicContact CG-SD 3.71Å; K7-M21 PolarHBondContact NZ-O 3.23Å; K7-D23 IonicContact NZ-OD1 2.67Å; K7-D23 PolarHBondContact NZ-OD1 3.34Å; K7-W27 HydrophobicContact CB-CB 4.45Å; K7-W27 HydrophobicContact CB-CD2 4.5Å; K7-W27 HydrophobicContact CB-CG 4.01Å; K7-W27 HydrophobicContact CG-CD2 4.42Å; K7-W27 HydrophobicContact CG-CG 4.32Å
8	K	78	Confident	71.2	Confident	125 Å²	125	89.3 Å²	89.3	54%	0.543	47%	0.469	S	S	.	.	H	α-helix	trans	-65.6	-34.4	178.3	-72.5	179.9	178.8	-173.3	0	114.1	N4 E5 W6 T12	N4-K8 WeakPolarHBondContact O-CG 3.4Å; E5-K8 PolarHBondContact O-N 2.67Å; W6-K8 VanDerWaalsContact C-N 3.33Å; W6-K8 PolarHBondContact O-N 2.67Å; K8-T12 WeakPolarHBondContact O-CB 3.22Å; K8-T12 PolarHBondContact O-N 3.43Å; K8-T12 PolarHBondContact O-OG1 3.22Å
9	R	80.4	Confident	71.1	Confident	97 Å²	97	86.7 Å²	86.7	37%	0.366	46%	0.456	S	S	.	.	H	α-helix	trans	-65.4	-49.4	174.8	-67.1	-177.9	-173.5	-161.4	3.3	110.6	E5 W6 K7 E11 T12 E13 Y31	E5-R9 PolarHBondContact O-N 2.85Å; E5-R9 IonicContact OE1-CZ 3.53Å; E5-R9 IonicContact OE1-NE 2.81Å; E5-R9 PolarHBondContact OE1-NE 2.79Å; E5-R9 IonicContact OE1-NH2 3.45Å; E5-R9 PolarHBondContact OE1-NH2 3.16Å; W6-R9 PolarHBondContact O-N 2.68Å; W6-R9 VanDerWaalsContact O-N 3.1Å; K7-R9 PolarHBondContact O-N 3.37Å; R9-E11 VanDerWaalsContact C-N 3.32Å; R9-E11 PolarHBondContact O-N 3.18Å; R9-T12 PolarHBondContact O-N 2.99Å; R9-T12 VanDerWaalsContact O-N 3.14Å; R9-E13 PolarHBondContact O-N 3.16Å; R9-Y31 HydrophobicContact CB-CD2 4.44Å; R9-Y31 HydrophobicContact CB-CE2 4.14Å
10	C	78.8	Confident	71	Confident	0 Å²	0	87.7 Å²	87.7	0%	0	47%	0.469	C	S	.	.	H	α-helix	trans	-57.2	-43.4	174.3	-61.5	0	0	0	0	112.1	W6 K7 T12 W14 M21 W27	W6-C10 PolarHBondContact O-N 3.47Å; W6-C10 PolarHBondContact O-SG 2.82Å; W6-C10 VanDerWaalsContact O-SG 3.33Å; K7-C10 PolarHBondContact O-N 2.94Å; C10-T12 VanDerWaalsContact C-N 3.32Å; C10-T12 PolarHBondContact O-N 3.29Å; C10-W14 HydrophobicContact CB-CD2 4.47Å; C10-W14 HydrophobicContact CB-CE3 3.73Å; C10-W14 HydrophobicContact CB-CH2 4.36Å; C10-W14 HydrophobicContact CB-CZ3 3.67Å; C10-W14 WeakPolarHBondContact O-CB 3.47Å; C10-W14 PolarHBondContact O-N 3.47Å; C10-M21 HydrophobicContact CB-CE 3.56Å; C10-M21 HydrophobicContact CB-SD 4.14Å; C10-W27 HydrophobicContact CB-CE3 4.36Å
11	E	76.6	Confident	71.3	Confident	90 Å²	90	84.1 Å²	84.1	42%	0.421	45%	0.45	S	S	.	.	H	α-helix	trans	-57.3	-44.1	175.8	-102.8	156.7	-152.3	0	0	111.8	K7 R9 N15 M21	K7-E11 WeakPolarHBondContact O-CB 3.45Å; K7-E11 PolarHBondContact O-N 3.07Å; R9-E11 VanDerWaalsContact C-N 3.32Å; R9-E11 PolarHBondContact O-N 3.18Å; E11-N15 WeakPolarHBondContact O-CA 3.28Å; E11-N15 PolarHBondContact O-N 3.11Å; E11-M21 HydrophobicContact CB-CE 4.27Å; E11-M21 HydrophobicContact CG-CE 3.84Å; E11-M21 HydrophobicContact CG-SD 4.03Å
12	T	77.3	Confident	72.9	Confident	117 Å²	117	74.9 Å²	74.9	72%	0.718	41%	0.407	S	S	*	.	H	α-helix	trans	-75.4	-41.6	-176.9	-53	0	0	0	0	112.4	K8 R9 C10	K8-T12 WeakPolarHBondContact O-CB 3.22Å; K8-T12 PolarHBondContact O-N 3.43Å; K8-T12 PolarHBondContact O-OG1 3.22Å; R9-T12 PolarHBondContact O-N 2.99Å; R9-T12 VanDerWaalsContact O-N 3.14Å; C10-T12 VanDerWaalsContact C-N 3.32Å; C10-T12 PolarHBondContact O-N 3.29Å
13	E	80.3	Confident	73.8	Confident	111 Å²	111	78.5 Å²	78.5	52%	0.519	42%	0.417	S	S	.	.	H	α-helix	trans	-77.4	-41	-176.1	-74.4	-179.6	-153.3	0	0	113.3	R9 Y31	R9-E13 PolarHBondContact O-N 3.16Å; E13-Y31 WeakPolarHBondContact OE1-CE2 3.3Å; E13-Y31 PolarHBondContact OE1-OH 2.62Å; E13-Y31 VanDerWaalsContact OE1-OH 3.05Å
14	W	78.3	Confident	74.8	Confident	46 Å²	46	78.7 Å²	78.7	17%	0.174	44%	0.435	C	S	.	.	H	α-helix	trans	-98.4	-20.6	-173.8	-54.6	-28.6	0	0	0	113.4	C10 I16 V30 P35 F36 W123	C10-W14 HydrophobicContact CB-CD2 4.47Å; C10-W14 HydrophobicContact CB-CE3 3.73Å; C10-W14 HydrophobicContact CB-CH2 4.36Å; C10-W14 HydrophobicContact CB-CZ3 3.67Å; C10-W14 WeakPolarHBondContact O-CB 3.47Å; C10-W14 PolarHBondContact O-N 3.47Å; W14-I16 HydrophobicContact CB-CD1 4.06Å; W14-I16 HydrophobicContact CB-CG1 3.81Å; W14-I16 PolarHBondContact O-N 3.33Å; W14-V30 HydrophobicContact CH2-CG1 3.9Å; W14-V30 HydrophobicContact CZ3-CG1 3.86Å; W14-P35 HydrophobicContact CH2-CG 4.23Å; W14-F36 AromaticContact CD2-CD2 3.68Å; W14-F36 HydrophobicContact CD2-CD2 3.68Å; W14-F36 AromaticContact CD2-CE2 3.7Å; W14-F36 HydrophobicContact CD2-CE2 3.7Å; W14-F36 AromaticContact CE2-CD2 3.79Å; W14-F36 AromaticContact CE3-CD2 3.97Å; W14-F36 HydrophobicContact CE3-CD2 3.97Å; W14-F36 AromaticContact CE3-CE2 3.51Å; W14-F36 HydrophobicContact CE3-CE2 3.51Å; W14-F36 HydrophobicContact CG-CD2 4.05Å; W14-F36 HydrophobicContact CG-CE2 4.24Å; W14-F36 HydrophobicContact CH2-CD2 4.37Å; W14-F36 HydrophobicContact CH2-CE2 4.29Å; W14-F36 HydrophobicContact CZ2-CD2 4.15Å; W14-F36 HydrophobicContact CZ2-CE2 4.49Å; W14-F36 HydrophobicContact CZ3-CD2 4.29Å; W14-F36 AromaticContact CZ3-CE2 3.82Å; W14-F36 HydrophobicContact CZ3-CE2 3.82Å; W14-W123 HydrophobicContact CZ3-CZ3 4.2Å
15	N	70.8	Confident	75.5	Confident	111 Å²	111	75.3 Å²	75.3	59%	0.594	42%	0.418	S	S	*	.			trans	46.8	40.8	172.3	-166.2	11.4	0	0	0	113.8	E11 K17	E11-N15 WeakPolarHBondContact O-CA 3.28Å; E11-N15 PolarHBondContact O-N 3.11Å; N15-K17 PolarHBondContact O-N 2.99Å
16	I	69.8	Low	75.7	Confident	23 Å²	23	75.1 Å²	75.1	12%	0.118	42%	0.42	C	S	.	.			trans	-75.1	96.3	-173.9	-49.1	177.8	0	0	0	109.1	W14 G18 I19 F36 W123 L126 F130 P228	W14-I16 HydrophobicContact CB-CD1 4.06Å; W14-I16 HydrophobicContact CB-CG1 3.81Å; W14-I16 PolarHBondContact O-N 3.33Å; I16-G18 PolarHBondContact O-N 2.99Å; I16-I19 HydrophobicContact CB-CD1 4.3Å; I16-I19 HydrophobicContact CG2-CD1 3.44Å; I16-I19 VanDerWaalsContact CG2-CD1 3.44Å; I16-I19 HydrophobicContact CG2-CG1 4.03Å; I16-F36 HydrophobicContact CD1-CE2 3.96Å; I16-F36 HydrophobicContact CD1-CZ 3.73Å; I16-W123 HydrophobicContact CD1-CH2 4.28Å; I16-L126 HydrophobicContact CD1-CD1 4.27Å; I16-F130 HydrophobicContact CG2-CD1 4.1Å; I16-F130 HydrophobicContact CG2-CD2 3.88Å; I16-F130 HydrophobicContact CG2-CE1 3.94Å; I16-F130 HydrophobicContact CG2-CE2 3.7Å; I16-F130 HydrophobicContact CG2-CG 4.09Å; I16-F130 HydrophobicContact CG2-CZ 3.73Å; I16-P228 HydrophobicContact CD1-CB 4.18Å; I16-P228 HydrophobicContact CG1-CB 4.07Å
17	K	65.6	Low	76	Confident	166 Å²	166	72.7 Å²	72.7	72%	0.722	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	129.1	-175.7	-66.2	-178.6	-179.4	177.2	0	111.4	N15	N15-K17 PolarHBondContact O-N 2.99Å
18	G	63.6	Low	76.4	Confident	88 Å²	88	76 Å²	76	91%	0.907	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.7	0.8	171	0	0	0	0	0	115.9	I16	I16-G18 PolarHBondContact O-N 2.99Å
19	I	68.6	Low	76.9	Confident	40 Å²	40	74.6 Å²	74.6	21%	0.205	42%	0.419	C	S	.	.			trans	-106.2	133.2	174.3	-50.4	177.8	0	0	0	109.8	I16 L126 F130	I16-I19 HydrophobicContact CB-CD1 4.3Å; I16-I19 HydrophobicContact CG2-CD1 3.44Å; I16-I19 VanDerWaalsContact CG2-CD1 3.44Å; I16-I19 HydrophobicContact CG2-CG1 4.03Å; I19-L126 HydrophobicContact CD1-CB 4.23Å; I19-L126 HydrophobicContact CD1-CD1 3.4Å; I19-L126 HydrophobicContact CD1-CG 4.42Å; I19-F130 HydrophobicContact CD1-CB 3.34Å; I19-F130 HydrophobicContact CD1-CD1 4.35Å; I19-F130 HydrophobicContact CD1-CD2 4.14Å; I19-F130 HydrophobicContact CD1-CG 3.72Å; I19-F130 HydrophobicContact CG1-CB 3.68Å; I19-F130 HydrophobicContact CG1-CD2 4.14Å; I19-F130 HydrophobicContact CG1-CG 4.14Å
20	S	69.7	Low	77.1	Confident	105 Å²	105	70.2 Å²	70.2	73%	0.734	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-87.9	124.7	160.9	-174.5	0	0	0	0	108.9	P22	S20-P22 VanDerWaalsContact O-CD 3.3Å; S20-P22 WeakPolarHBondContact O-CD 3.47Å
21	M	77.5	Confident	77.3	Confident	13 Å²	13	72.5 Å²	72.5	6%	0.064	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-68.4	118.8	177	-77.8	-166.1	-173.8	0	0	110.7	K7 C10 E11 W27	K7-M21 HydrophobicContact CD-CB 4.26Å; K7-M21 WeakPolarHBondContact CE-O 2.83Å; K7-M21 HydrophobicContact CG-CB 3.93Å; K7-M21 HydrophobicContact CG-CG 4.47Å; K7-M21 HydrophobicContact CG-SD 3.71Å; K7-M21 PolarHBondContact NZ-O 3.23Å; C10-M21 HydrophobicContact CB-CE 3.56Å; C10-M21 HydrophobicContact CB-SD 4.14Å; E11-M21 HydrophobicContact CB-CE 4.27Å; E11-M21 HydrophobicContact CG-CE 3.84Å; E11-M21 HydrophobicContact CG-SD 4.03Å; M21-W27 HydrophobicContact CB-CH2 3.85Å; M21-W27 HydrophobicContact CB-CZ2 3.43Å; M21-W27 VanDerWaalsContact CB-CZ2 3.43Å; M21-W27 HydrophobicContact CE-CH2 4.41Å; M21-W27 HydrophobicContact CE-CZ3 4.11Å; M21-W27 HydrophobicContact CG-CH2 3.53Å; M21-W27 HydrophobicContact CG-CZ2 3.68Å; M21-W27 HydrophobicContact CG-CZ3 4.09Å; M21-W27 HydrophobicContact SD-CD2 4.09Å; M21-W27 HydrophobicContact SD-CE3 3.83Å; M21-W27 HydrophobicContact SD-CH2 3.67Å; M21-W27 HydrophobicContact SD-CZ2 3.94Å; M21-W27 HydrophobicContact SD-CZ3 3.6Å
22	P	79.1	Confident	77.8	Confident	25 Å²	25	73.7 Å²	73.7	16%	0.162	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-64.4	148	178.5	25.9	-38.1	0	0	0	113.2	S20 G24 V25 W27 E125	S20-P22 VanDerWaalsContact O-CD 3.3Å; S20-P22 WeakPolarHBondContact O-CD 3.47Å; P22-G24 VanDerWaalsContact C-N 3.34Å; P22-V25 HydrophobicContact CB-CG2 4.41Å; P22-V25 HydrophobicContact CG-CB 4.24Å; P22-V25 HydrophobicContact CG-CG2 3.59Å; P22-W27 HydrophobicContact CG-CZ2 4.11Å; P22-W27 PolarHBondContact O-NE1 3.1Å; P22-E125 HydrophobicContact CG-CG 4.36Å
23	D	74.1	Confident	78.2	Confident	139 Å²	139	69 Å²	69	74%	0.743	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-10.9	179	-66.5	-39.2	0	0	0	113.8	K7	K7-D23 IonicContact NZ-OD1 2.67Å; K7-D23 PolarHBondContact NZ-OD1 3.34Å
24	G	77.2	Confident	78.5	Confident	82 Å²	82	70.1 Å²	70.1	85%	0.845	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-3	177.6	0	0	0	0	0	115.2	P22	P22-G24 VanDerWaalsContact C-N 3.34Å
25	V	83.3	Confident	78.9	Confident	26 Å²	26	67.9 Å²	67.9	16%	0.158	39%	0.385	C	S	.	.	S	Bend	trans	-94.3	137.2	-179.4	169.2	0	0	0	0	110.5	P22 W27 V30 W123	P22-V25 HydrophobicContact CB-CG2 4.41Å; P22-V25 HydrophobicContact CG-CB 4.24Å; P22-V25 HydrophobicContact CG-CG2 3.59Å; V25-W27 HydrophobicContact CB-CZ2 3.97Å; V25-W27 HydrophobicContact CG1-CD2 4.21Å; V25-W27 HydrophobicContact CG1-CE3 4.47Å; V25-W27 HydrophobicContact CG1-CH2 4.28Å; V25-W27 HydrophobicContact CG1-CZ2 3.99Å; V25-W27 PolarHBondContact O-N 3.28Å; V25-V30 HydrophobicContact CG1-CG2 3.65Å; V25-W123 HydrophobicContact CG1-CB 4.48Å; V25-W123 HydrophobicContact CG2-CB 4.12Å; V25-W123 HydrophobicContact CG2-CG 4.46Å
26	D	85.9	Confident	79.8	Confident	96 Å²	96	63.9 Å²	63.9	51%	0.513	36%	0.363	S	S	.	.			trans	-74.9	89.9	170	-171.2	-15.5	0	0	0	110.3	K28 F29 V30	D26-K28 PolarHBondContact O-N 2.97Å; D26-K28 WeakPolarHBondContact OD1-CA 3.4Å; D26-K28 VanDerWaalsContact OD1-CB 3.28Å; D26-K28 WeakPolarHBondContact OD1-CB 3.5Å; D26-K28 PolarHBondContact OD1-N 2.92Å; D26-F29 HydrophobicContact CB-CB 4Å; D26-F29 WeakPolarHBondContact O-CB 3.5Å; D26-F29 PolarHBondContact O-N 3.38Å; D26-F29 VanDerWaalsContact O-N 3.16Å; D26-F29 PolarHBondContact OD1-N 2.91Å; D26-F29 VanDerWaalsContact OD1-N 3.16Å; D26-V30 PolarHBondContact O-N 3.34Å
27	W	84.4	Confident	80.5	Confident	1 Å²	1	65.6 Å²	65.6	0%	0.004	39%	0.386	C	S	.	.	H	α-helix	trans	-61.7	-21.5	177.5	-68.2	104.4	0	0	0	114.2	W6 K7 C10 M21 P22 V25 V30 Y31 W123	W6-W27 HydrophobicContact CB-CB 3.84Å; K7-W27 HydrophobicContact CB-CB 4.45Å; K7-W27 HydrophobicContact CB-CD2 4.5Å; K7-W27 HydrophobicContact CB-CG 4.01Å; K7-W27 HydrophobicContact CG-CD2 4.42Å; K7-W27 HydrophobicContact CG-CG 4.32Å; C10-W27 HydrophobicContact CB-CE3 4.36Å; M21-W27 HydrophobicContact CB-CH2 3.85Å; M21-W27 HydrophobicContact CB-CZ2 3.43Å; M21-W27 VanDerWaalsContact CB-CZ2 3.43Å; M21-W27 HydrophobicContact CE-CH2 4.41Å; M21-W27 HydrophobicContact CE-CZ3 4.11Å; M21-W27 HydrophobicContact CG-CH2 3.53Å; M21-W27 HydrophobicContact CG-CZ2 3.68Å; M21-W27 HydrophobicContact CG-CZ3 4.09Å; M21-W27 HydrophobicContact SD-CD2 4.09Å; M21-W27 HydrophobicContact SD-CE3 3.83Å; M21-W27 HydrophobicContact SD-CH2 3.67Å; M21-W27 HydrophobicContact SD-CZ2 3.94Å; M21-W27 HydrophobicContact SD-CZ3 3.6Å; P22-W27 HydrophobicContact CG-CZ2 4.11Å; P22-W27 PolarHBondContact O-NE1 3.1Å; V25-W27 HydrophobicContact CB-CZ2 3.97Å; V25-W27 HydrophobicContact CG1-CD2 4.21Å; V25-W27 HydrophobicContact CG1-CE3 4.47Å; V25-W27 HydrophobicContact CG1-CH2 4.28Å; V25-W27 HydrophobicContact CG1-CZ2 3.99Å; V25-W27 PolarHBondContact O-N 3.28Å; W27-V30 HydrophobicContact CE3-CB 4.3Å; W27-V30 HydrophobicContact CE3-CG1 4.14Å; W27-V30 HydrophobicContact CZ3-CG1 4.04Å; W27-Y31 VanDerWaalsContact O-CB 3.29Å; W27-Y31 WeakPolarHBondContact O-CB 3.03Å; W27-Y31 PolarHBondContact O-N 2.96Å; W27-Y31 VanDerWaalsContact O-N 3.11Å; W27-W123 AromaticContact CH2-CD2 3.82Å; W27-W123 HydrophobicContact CH2-CD2 3.82Å; W27-W123 AromaticContact CH2-CE2 3.59Å; W27-W123 HydrophobicContact CH2-CE3 4.06Å; W27-W123 HydrophobicContact CH2-CG 4.48Å; W27-W123 AromaticContact CH2-CH2 3.93Å; W27-W123 HydrophobicContact CH2-CH2 3.93Å; W27-W123 AromaticContact CH2-CZ2 3.67Å; W27-W123 HydrophobicContact CH2-CZ2 3.67Å; W27-W123 HydrophobicContact CH2-CZ3 4.11Å; W27-W123 HydrophobicContact CZ3-CD2 4.25Å; W27-W123 AromaticContact CZ3-CE3 3.99Å; W27-W123 HydrophobicContact CZ3-CE3 3.99Å; W27-W123 AromaticContact CZ3-CH2 3.83Å; W27-W123 HydrophobicContact CZ3-CH2 3.83Å; W27-W123 HydrophobicContact CZ3-CZ2 4.07Å; W27-W123 AromaticContact CZ3-CZ3 3.78Å; W27-W123 HydrophobicContact CZ3-CZ3 3.78Å
28	K	86.1	Confident	81.9	Confident	94 Å²	94	61.6 Å²	61.6	41%	0.409	37%	0.366	S	S	.	.	H	α-helix	trans	-71.7	-49.6	173.6	-174.4	-168	163.9	-164.3	0	109.4	W6 D26 V30 Y31 E32	W6-K28 HydrophobicContact CD2-CB 4.37Å; W6-K28 HydrophobicContact CD2-CG 4.26Å; W6-K28 HydrophobicContact CG-CB 4.07Å; W6-K28 HydrophobicContact CG-CG 4.45Å; W6-K28 HydrophobicContact CZ2-CG 4.3Å; D26-K28 PolarHBondContact O-N 2.97Å; D26-K28 WeakPolarHBondContact OD1-CA 3.4Å; D26-K28 VanDerWaalsContact OD1-CB 3.28Å; D26-K28 WeakPolarHBondContact OD1-CB 3.5Å; D26-K28 PolarHBondContact OD1-N 2.92Å; K28-V30 PolarHBondContact O-N 3.35Å; K28-Y31 PolarHBondContact O-N 2.91Å; K28-E32 VanDerWaalsContact CE-CD 3.41Å; K28-E32 WeakPolarHBondContact CE-OE1 3.35Å; K28-E32 WeakPolarHBondContact CE-OE2 3.28Å; K28-E32 IonicContact NZ-OE1 3.54Å; K28-E32 WeakPolarHBondContact O-CB 3.39Å; K28-E32 WeakPolarHBondContact O-CG 3.45Å; K28-E32 PolarHBondContact O-N 3.42Å
29	F	87	Confident	83.5	Confident	96 Å²	96	59.5 Å²	59.5	42%	0.421	33%	0.334	S	S	.	.	H	α-helix	trans	-56.9	-48.3	174.9	172.6	-99.6	0	0	0	111.8	D26 Y31 E32 A33 A119	D26-F29 HydrophobicContact CB-CB 4Å; D26-F29 WeakPolarHBondContact O-CB 3.5Å; D26-F29 PolarHBondContact O-N 3.38Å; D26-F29 VanDerWaalsContact O-N 3.16Å; D26-F29 PolarHBondContact OD1-N 2.91Å; D26-F29 VanDerWaalsContact OD1-N 3.16Å; F29-Y31 VanDerWaalsContact C-N 3.33Å; F29-Y31 PolarHBondContact O-N 2.83Å; F29-E32 PolarHBondContact O-N 3.15Å; F29-A33 HydrophobicContact CZ-CB 4.47Å; F29-A33 WeakPolarHBondContact O-CB 3.4Å; F29-A33 PolarHBondContact O-N 2.74Å; F29-A119 WeakPolarHBondContact CZ-O 3.48Å
30	V	85.1	Confident	84.8	Confident	5 Å²	5	57.8 Å²	57.8	3%	0.03	33%	0.326	C	S	.	.	H	α-helix	trans	-60	-40.9	179.2	169.4	0	0	0	0	112.1	W14 V25 D26 W27 K28 K34 P35 W123	W14-V30 HydrophobicContact CH2-CG1 3.9Å; W14-V30 HydrophobicContact CZ3-CG1 3.86Å; V25-V30 HydrophobicContact CG1-CG2 3.65Å; D26-V30 PolarHBondContact O-N 3.34Å; W27-V30 HydrophobicContact CE3-CB 4.3Å; W27-V30 HydrophobicContact CE3-CG1 4.14Å; W27-V30 HydrophobicContact CZ3-CG1 4.04Å; K28-V30 PolarHBondContact O-N 3.35Å; V30-K34 PolarHBondContact O-N 3.38Å; V30-P35 HydrophobicContact CG1-CG 4.42Å; V30-P35 WeakPolarHBondContact O-CD 3.29Å; V30-W123 HydrophobicContact CG1-CE3 3.89Å; V30-W123 HydrophobicContact CG1-CZ3 3.81Å
31	Y	84.3	Confident	86.1	Confident	49 Å²	49	53.2 Å²	53.2	19%	0.192	29%	0.293	C	S	.	.	H	α-helix	trans	-68.1	-42.3	176.4	-174.6	-88.2	0	0	0	112.4	W6 R9 E13 W27 K28 F29 K34	W6-Y31 AromaticContact CE3-CD1 3.72Å; W6-Y31 HydrophobicContact CE3-CD1 3.72Å; W6-Y31 HydrophobicContact CE3-CD2 4.44Å; W6-Y31 HydrophobicContact CE3-CE1 4.25Å; W6-Y31 AromaticContact CE3-CG 3.82Å; W6-Y31 HydrophobicContact CE3-CG 3.82Å; W6-Y31 AromaticContact CZ3-CD1 3.44Å; W6-Y31 HydrophobicContact CZ3-CD1 3.44Å; W6-Y31 VanDerWaalsContact CZ3-CD1 3.44Å; W6-Y31 AromaticContact CZ3-CE1 3.66Å; W6-Y31 HydrophobicContact CZ3-CE1 3.66Å; W6-Y31 HydrophobicContact CZ3-CG 4.04Å; R9-Y31 HydrophobicContact CB-CD2 4.44Å; R9-Y31 HydrophobicContact CB-CE2 4.14Å; E13-Y31 WeakPolarHBondContact OE1-CE2 3.3Å; E13-Y31 PolarHBondContact OE1-OH 2.62Å; E13-Y31 VanDerWaalsContact OE1-OH 3.05Å; W27-Y31 VanDerWaalsContact O-CB 3.29Å; W27-Y31 WeakPolarHBondContact O-CB 3.03Å; W27-Y31 PolarHBondContact O-N 2.96Å; W27-Y31 VanDerWaalsContact O-N 3.11Å; K28-Y31 PolarHBondContact O-N 2.91Å; F29-Y31 VanDerWaalsContact C-N 3.33Å; F29-Y31 PolarHBondContact O-N 2.83Å; Y31-K34 VanDerWaalsContact O-CG 3.28Å; Y31-K34 WeakPolarHBondContact O-CG 3.32Å; Y31-K34 PolarHBondContact O-N 3.4Å
32	E	86.9	Confident	87	Confident	114 Å²	114	60.5 Å²	60.5	53%	0.533	32%	0.32	S	S	.	.	H	α-helix	trans	-67.2	-36.6	177.6	-72.7	177.2	164.2	0	0	112.1	K28 F29 K34	K28-E32 VanDerWaalsContact CE-CD 3.41Å; K28-E32 WeakPolarHBondContact CE-OE1 3.35Å; K28-E32 WeakPolarHBondContact CE-OE2 3.28Å; K28-E32 IonicContact NZ-OE1 3.54Å; K28-E32 WeakPolarHBondContact O-CB 3.39Å; K28-E32 WeakPolarHBondContact O-CG 3.45Å; K28-E32 PolarHBondContact O-N 3.42Å; F29-E32 PolarHBondContact O-N 3.15Å; E32-K34 VanDerWaalsContact C-N 3.27Å; E32-K34 PolarHBondContact O-N 2.83Å
33	A	85.8	Confident	87.9	Confident	19 Å²	19	61.2 Å²	61.2	16%	0.157	32%	0.322	C	S	.	.	H	α-helix	trans	-70	-18.3	178.3	0	0	0	0	0	114	F29 R38	F29-A33 HydrophobicContact CZ-CB 4.47Å; F29-A33 WeakPolarHBondContact O-CB 3.4Å; F29-A33 PolarHBondContact O-N 2.74Å; A33-R38 VanDerWaalsContact O-CZ 3.31Å; A33-R38 PolarHBondContact O-NE 3.18Å; A33-R38 PolarHBondContact O-NH2 3.37Å
34	K	86.5	Confident	88.9	Confident	134 Å²	134	56.9 Å²	56.9	58%	0.583	30%	0.302	S	S	*	.			trans	40.9	62.9	179.8	-63.5	-177.1	178.9	179.9	0	112.5	V30 Y31 E32 F36 R38	V30-K34 PolarHBondContact O-N 3.38Å; Y31-K34 VanDerWaalsContact O-CG 3.28Å; Y31-K34 WeakPolarHBondContact O-CG 3.32Å; Y31-K34 PolarHBondContact O-N 3.4Å; E32-K34 VanDerWaalsContact C-N 3.27Å; E32-K34 PolarHBondContact O-N 2.83Å; K34-F36 PolarHBondContact O-N 2.99Å; K34-F36 VanDerWaalsContact O-N 3.11Å; K34-R38 WeakPolarHBondContact O-CD 3.18Å; K34-R38 WeakPolarHBondContact O-CG 3.38Å; K34-R38 PolarHBondContact O-NE 3.04Å; K34-R38 VanDerWaalsContact O-NE 3.16Å
35	P	86.3	Confident	89.8	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.274	C	S	.	.			trans	-61.7	-22.5	-170.8	21.6	-34.1	0	0	0	114.6	W14 V30 V122	W14-P35 HydrophobicContact CH2-CG 4.23Å; V30-P35 HydrophobicContact CG1-CG 4.42Å; V30-P35 WeakPolarHBondContact O-CD 3.29Å; P35-V122 HydrophobicContact CB-CG2 3.73Å
36	F	90	Very high	90.3	Very high	27 Å²	27	53.3 Å²	53.3	12%	0.118	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-96.5	136.3	-173.5	-58.1	-64.2	0	0	0	112.8	W14 I16 K34 R38 W123 L126 V226 P228	W14-F36 AromaticContact CD2-CD2 3.68Å; W14-F36 HydrophobicContact CD2-CD2 3.68Å; W14-F36 AromaticContact CD2-CE2 3.7Å; W14-F36 HydrophobicContact CD2-CE2 3.7Å; W14-F36 AromaticContact CE2-CD2 3.79Å; W14-F36 AromaticContact CE3-CD2 3.97Å; W14-F36 HydrophobicContact CE3-CD2 3.97Å; W14-F36 AromaticContact CE3-CE2 3.51Å; W14-F36 HydrophobicContact CE3-CE2 3.51Å; W14-F36 HydrophobicContact CG-CD2 4.05Å; W14-F36 HydrophobicContact CG-CE2 4.24Å; W14-F36 HydrophobicContact CH2-CD2 4.37Å; W14-F36 HydrophobicContact CH2-CE2 4.29Å; W14-F36 HydrophobicContact CZ2-CD2 4.15Å; W14-F36 HydrophobicContact CZ2-CE2 4.49Å; W14-F36 HydrophobicContact CZ3-CD2 4.29Å; W14-F36 AromaticContact CZ3-CE2 3.82Å; W14-F36 HydrophobicContact CZ3-CE2 3.82Å; I16-F36 HydrophobicContact CD1-CE2 3.96Å; I16-F36 HydrophobicContact CD1-CZ 3.73Å; K34-F36 PolarHBondContact O-N 2.99Å; K34-F36 VanDerWaalsContact O-N 3.11Å; F36-R38 VanDerWaalsContact C-N 3.26Å; F36-R38 PolarHBondContact O-N 3.38Å; F36-W123 HydrophobicContact CE2-CZ3 4.42Å; F36-W123 HydrophobicContact CZ-CH2 4.48Å; F36-W123 HydrophobicContact CZ-CZ3 4.35Å; F36-L126 HydrophobicContact CE1-CD2 4.05Å; F36-L126 HydrophobicContact CZ-CD2 3.61Å; F36-V226 WeakPolarHBondContact CA-O 3.47Å; F36-V226 HydrophobicContact CD1-CB 4.42Å; F36-V226 HydrophobicContact CD1-CG1 3.93Å; F36-V226 HydrophobicContact CE1-CG1 3.88Å; F36-P228 HydrophobicContact CD1-CB 4.22Å; F36-P228 HydrophobicContact CE1-CB 4.35Å; F36-P228 HydrophobicContact CG-CB 4.42Å
37	G	84.7	Confident	90.7	Very high	59 Å²	59	49.8 Å²	49.8	61%	0.608	25%	0.247	S	C	*	.	S	Bend	trans	74.2	2.6	169.8	0	0	0	0	0	116.5	V226	G37-V226 PolarHBondContact N-O 3.05Å
38	R	93.8	Very high	91.1	Very high	81 Å²	81	53.2 Å²	53.2	31%	0.306	28%	0.283	S	S	.	.	S	Bend	trans	-102.5	156.3	167.5	71.4	174.3	174.5	90	-4	111.3	A33 K34 F36 L40 E120 L225	A33-R38 VanDerWaalsContact O-CZ 3.31Å; A33-R38 PolarHBondContact O-NE 3.18Å; A33-R38 PolarHBondContact O-NH2 3.37Å; K34-R38 WeakPolarHBondContact O-CD 3.18Å; K34-R38 WeakPolarHBondContact O-CG 3.38Å; K34-R38 PolarHBondContact O-NE 3.04Å; K34-R38 VanDerWaalsContact O-NE 3.16Å; F36-R38 VanDerWaalsContact C-N 3.26Å; F36-R38 PolarHBondContact O-N 3.38Å; R38-L40 HydrophobicContact CG-CD2 4.12Å; R38-E120 IonicContact CZ-OE2 2.7Å; R38-E120 IonicContact NH1-OE2 3.65Å; R38-E120 PolarHBondContact NH1-OE2 2.74Å; R38-E120 PolarHBondContact NH2-O 2.72Å; R38-E120 VanDerWaalsContact NH2-O 3.16Å; R38-E120 IonicContact NH2-OE2 3.12Å; R38-E120 PolarHBondContact NH2-OE2 2.89Å; R38-L225 VanDerWaalsContact O-CD2 3.23Å; R38-L225 WeakPolarHBondContact O-CD2 3.31Å
39	N	96.6	Very high	91.5	Very high	44 Å²	44	50.2 Å²	50.2	24%	0.235	27%	0.272	C	S	.	.			trans	-67.5	132.7	169.8	-163.7	-1.2	0	0	0	110	L41 S222 T223 V224	N39-L41 WeakPolarHBondContact OD1-CB 3.43Å; N39-L41 PolarHBondContact OD1-N 3.16Å; N39-S222 PolarHBondContact ND2-O 3.42Å; N39-T223 HydrophobicContact CB-CG2 4.08Å; N39-T223 WeakPolarHBondContact OD1-CA 3.49Å; N39-V224 PolarHBondContact OD1-N 3.28Å; N39-V224 PolarHBondContact OD1-O 3.11Å
40	L	96.9	Very high	91.9	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.021	26%	0.264	C	S	.	.			trans	-94.9	-13.5	173.4	-54.5	-170.3	0	0	0	112.6	R38 V115 L117 E120 V224 V226	R38-L40 HydrophobicContact CG-CD2 4.12Å; L40-V115 HydrophobicContact CB-CG1 3.74Å; L40-V115 HydrophobicContact CB-CG2 4.24Å; L40-V115 HydrophobicContact CD1-CG1 3.97Å; L40-V115 HydrophobicContact CG-CG1 4.5Å; L40-L117 HydrophobicContact CD1-CD2 3.84Å; L40-E120 HydrophobicContact CD1-CB 4.3Å; L40-E120 HydrophobicContact CD1-CG 4.48Å; L40-E120 HydrophobicContact CD2-CB 3.99Å; L40-E120 HydrophobicContact CD2-CG 4.2Å; L40-V224 HydrophobicContact CB-CB 4.41Å; L40-V224 HydrophobicContact CB-CG1 4.42Å; L40-V224 PolarHBondContact N-O 2.65Å; L40-V226 HydrophobicContact CD1-CG2 3.85Å
41	L	97.1	Very high	92.3	Very high	10 Å²	10	49.6 Å²	49.6	5%	0.052	27%	0.274	C	S	.	.	S	Bend	trans	-77.5	135.2	169.5	-65.9	178	0	0	0	110.9	N39 W80 Q113 V115 F202 V224	N39-L41 WeakPolarHBondContact OD1-CB 3.43Å; N39-L41 PolarHBondContact OD1-N 3.16Å; L41-W80 HydrophobicContact CD1-CH2 4.14Å; L41-Q113 HydrophobicContact CD2-CB 4.01Å; L41-Q113 HydrophobicContact CD2-CG 4.27Å; L41-V115 HydrophobicContact CD2-CG2 3.9Å; L41-F202 HydrophobicContact CD1-CD1 4.13Å; L41-F202 HydrophobicContact CD1-CD2 3.85Å; L41-F202 HydrophobicContact CD1-CE1 4.27Å; L41-F202 HydrophobicContact CD1-CE2 3.98Å; L41-F202 HydrophobicContact CD1-CG 3.93Å; L41-F202 HydrophobicContact CD1-CZ 4.19Å; L41-F202 HydrophobicContact CD2-CB 4.06Å; L41-F202 HydrophobicContact CD2-CG 4.31Å; L41-V224 HydrophobicContact CD1-CG2 3.88Å; L41-V224 HydrophobicContact CD2-CG2 4.07Å; L41-V224 HydrophobicContact CG-CB 4.13Å; L41-V224 HydrophobicContact CG-CG2 3.73Å
42	R	96.6	Very high	92.8	Very high	165 Å²	165	53.9 Å²	53.9	62%	0.623	30%	0.301	S	S	*	.	S	Bend	trans	-80.9	140.6	169.1	-58.1	-179	-178.3	-159.2	-1.7	109	W80 Q113	R42-W80 PolarHBondContact O-NE1 2.74Å; R42-Q113 PolarHBondContact O-NE2 3.48Å
43	N	96.4	Very high	93.2	Very high	41 Å²	41	51 Å²	51	22%	0.219	29%	0.293	C	S	.	.			trans	51.6	68.9	175	-174	9.4	0	0	0	113.3	A45 D76 T78 W80	N43-A45 PolarHBondContact O-N 3.03Å; N43-D76 PolarHBondContact ND2-O 2.95Å; N43-T78 VanDerWaalsContact CB-O 3.23Å; N43-T78 WeakPolarHBondContact CB-O 3.45Å; N43-T78 PolarHBondContact ND2-O 3.14Å; N43-W80 PolarHBondContact O-NE1 3.44Å
44	P	96.3	Very high	93.6	Very high	48 Å²	48	55.3 Å²	55.3	31%	0.312	32%	0.319	S	S	.	.	S	Bend	trans	-73.5	-3.6	-174.2	33.2	-39.4	0	0	0	114.7	T220 G221 S222	P44-T220 CarbonylContact O-C 3.6Å; P44-G221 PolarHBondContact O-N 3.37Å; P44-S222 WeakPolarHBondContact CB-O 3.49Å; P44-S222 PolarHBondContact O-N 2.74Å; P44-S222 VanDerWaalsContact O-N 3.12Å
45	A	96.2	Very high	94	Very high	31 Å²	31	49.1 Å²	49.1	26%	0.256	29%	0.293	S	S	.	.			trans	-135	62.7	-175.7	0	0	0	0	0	109.9	N43 H47 G48 T220	N43-A45 PolarHBondContact O-N 3.03Å; A45-H47 PolarHBondContact O-N 3.14Å; A45-H47 VanDerWaalsContact O-N 3.12Å; A45-G48 PolarHBondContact O-N 2.96Å; A45-T220 VanDerWaalsContact CB-OG1 3.32Å; A45-T220 WeakPolarHBondContact CB-OG1 3.33Å
46	P	94.2	Very high	94.3	Very high	2 Å²	2	52 Å²	52	1%	0.013	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-24.8	-168.1	25.2	-34.4	0	0	0	113.5	G48 G75 D76 Y77 L111 V219	P46-G48 VanDerWaalsContact C-N 3.35Å; P46-G75 CarbonylContact O-C 3.44Å; P46-G75 WeakPolarHBondContact O-CA 3.36Å; P46-D76 VanDerWaalsContact CA-O 3.28Å; P46-D76 WeakPolarHBondContact CA-O 3.44Å; P46-D76 VanDerWaalsContact CB-O 3.31Å; P46-D76 WeakPolarHBondContact CB-O 3.35Å; P46-D76 PolarHBondContact O-N 2.98Å; P46-Y77 HydrophobicContact CB-CD1 3.75Å; P46-Y77 HydrophobicContact CB-CE1 3.85Å; P46-Y77 HydrophobicContact CG-CE1 4.48Å; P46-L111 HydrophobicContact CB-CD2 4.21Å; P46-L111 HydrophobicContact CG-CD2 3.8Å; P46-V219 HydrophobicContact CG-CG2 4.26Å
47	H	93.4	Very high	94.2	Very high	22 Å²	22	57.9 Å²	57.9	10%	0.102	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	5.1	175.9	-55.6	-78.9	0	0	0	114	A45 V49 E74 Y77 L218 V219	A45-H47 PolarHBondContact O-N 3.14Å; A45-H47 VanDerWaalsContact O-N 3.12Å; H47-V49 HydrophobicContact CB-CG2 4.18Å; H47-V49 PolarHBondContact O-N 3.04Å; H47-E74 PolarHBondContact ND1-O 2.73Å; H47-Y77 AromaticContact CE1-CE1 3.94Å; H47-Y77 AromaticContact CE1-CZ 3.95Å; H47-Y77 PolarHBondContact CE1-OH 3.18Å; H47-Y77 PolarHBondContact ND1-OH 2.92Å; H47-L218 HydrophobicContact CB-CD2 4.12Å; H47-V219 PolarHBondContact CD2-O 3.38Å
48	G	93.8	Very high	94	Very high	73 Å²	73	58.7 Å²	58.7	75%	0.753	32%	0.324	S	S	*	.	S	Bend	trans	72.5	5.3	180	0	0	0	0	0	115.8	A45 P46	A45-G48 PolarHBondContact O-N 2.96Å; P46-G48 VanDerWaalsContact C-N 3.35Å
49	V	94.3	Very high	92.9	Very high	30 Å²	30	63.3 Å²	63.3	18%	0.182	35%	0.349	C	S	.	.			trans	-96.2	157.3	179.3	-60.1	0	0	0	0	111.6	H47 P56 W183 L218 T220	H47-V49 HydrophobicContact CB-CG2 4.18Å; H47-V49 PolarHBondContact O-N 3.04Å; V49-P56 HydrophobicContact CG1-CG 4.1Å; V49-W183 HydrophobicContact CB-CH2 4.4Å; V49-W183 HydrophobicContact CB-CZ2 4.09Å; V49-W183 HydrophobicContact CG2-CH2 3.53Å; V49-W183 HydrophobicContact CG2-CZ2 3.69Å; V49-L218 HydrophobicContact CG1-CD1 4.5Å; V49-T220 HydrophobicContact CG2-CG2 4.3Å; V49-T220 WeakPolarHBondContact O-CB 3.3Å; V49-T220 PolarHBondContact O-OG1 2.75Å
50	S	94.8	Very high	91.7	Very high	37 Å²	37	67.9 Å²	67.9	26%	0.259	37%	0.373	S	S	.	.			trans	-122.8	145.5	175.4	-179.1	0	0	0	0	111.6	D52 S53 W183	S50-D52 PolarHBondContact O-N 2.9Å; S50-D52 PolarHBondContact OG-N 3.46Å; S50-D52 VanDerWaalsContact OG-N 3.16Å; S50-D52 PolarHBondContact OG-OD2 3.01Å; S50-S53 PolarHBondContact O-N 3.27Å; S50-S53 PolarHBondContact O-OG 3Å; S50-W183 PolarHBondContact O-NE1 3.18Å
51	Q	93.7	Very high	90.4	Very high	51 Å²	51	70.8 Å²	70.8	24%	0.238	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-18.1	170.9	73.8	-65.1	-38.1	0	0	113.4	S53 W139 W183 T220	Q51-S53 PolarHBondContact O-N 2.83Å; Q51-W139 HydrophobicContact CB-CB 4.18Å; Q51-W139 HydrophobicContact CB-CD2 3.78Å; Q51-W139 HydrophobicContact CB-CE3 4.21Å; Q51-W139 HydrophobicContact CB-CG 3.78Å; Q51-W139 HydrophobicContact CG-CD2 4.08Å; Q51-W139 HydrophobicContact CG-CG 4.17Å; Q51-W139 HydrophobicContact CG-CZ2 4.3Å; Q51-W183 HydrophobicContact CB-CG 4.28Å; Q51-T220 HydrophobicContact CB-CG2 4.04Å; Q51-T220 VanDerWaalsContact N-CG2 3.32Å
52	D	94.8	Very high	89.2	Confident	140 Å²	140	79 Å²	79	75%	0.749	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-8.9	178.9	-48.3	-44.5	0	0	0	112.9	S50	S50-D52 PolarHBondContact O-N 2.9Å; S50-D52 PolarHBondContact OG-N 3.46Å; S50-D52 VanDerWaalsContact OG-N 3.16Å; S50-D52 PolarHBondContact OG-OD2 3.01Å
53	S	94.8	Very high	88.1	Confident	54 Å²	54	78.6 Å²	78.6	38%	0.378	43%	0.432	S	S	.	.	S	Bend	trans	-120.9	150.9	174.2	46.8	0	0	0	0	109.6	S50 Q51 W183	S50-S53 PolarHBondContact O-N 3.27Å; S50-S53 PolarHBondContact O-OG 3Å; Q51-S53 PolarHBondContact O-N 2.83Å; S53-W183 PolarHBondContact O-NE1 3.29Å
54	P	94.4	Very high	86.7	Confident	108 Å²	108	80.9 Å²	80.9	70%	0.701	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-53.9	153.3	171.9	-24.5	34.6	0	0	0	112.3
55	P	94.6	Very high	85.4	Confident	5 Å²	5	82 Å²	82	3%	0.032	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-52.8	146.2	169.4	-24.4	34.5	0	0	0	111.5	E57 E141 H181 W183	P55-E57 PolarHBondContact O-N 3.19Å; P55-E141 HydrophobicContact CB-CG 4.16Å; P55-E141 HydrophobicContact CG-CG 4.43Å; P55-H181 VanDerWaalsContact CD-O 3.3Å; P55-H181 WeakPolarHBondContact CD-O 3.35Å; P55-H181 WeakPolarHBondContact CG-O 3.15Å; P55-W183 HydrophobicContact CB-CZ2 4.27Å; P55-W183 HydrophobicContact CG-CD2 4.07Å; P55-W183 HydrophobicContact CG-CG 4.17Å; P55-W183 HydrophobicContact CG-CZ2 4.31Å
56	P	92.3	Very high	84.1	Confident	59 Å²	59	90.3 Å²	90.3	38%	0.383	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-65.5	132.9	179.4	28.3	-34.8	0	0	0	110.6	V49 L218	V49-P56 HydrophobicContact CG1-CG 4.1Å; P56-L218 HydrophobicContact CG-CD1 3.51Å
57	E	89.4	Confident	83.1	Confident	151 Å²	151	93 Å²	93	71%	0.706	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-59.4	143.3	173	-70.4	-63.8	166.1	0	0	111.2	P55 E59 H181	P55-E57 PolarHBondContact O-N 3.19Å; E57-E59 PolarHBondContact O-N 3.41Å; E57-H181 IonicContact OE1-CE1 3.21Å; E57-H181 IonicContact OE1-ND1 2.89Å; E57-H181 PolarHBondContact OE1-ND1 2.89Å; E57-H181 IonicContact OE2-CE1 3.74Å; E57-H181 PolarHBondContact OE2-CE1 2.83Å; E57-H181 IonicContact OE2-ND1 3.47Å
58	R	80.1	Confident	82.2	Confident	76 Å²	76	97.6 Å²	97.6	29%	0.287	55%	0.55	S	S	.	.	P	Polyproline II helix	trans	-74.8	116.3	-179.9	-67	179.5	-179.6	157.2	4.5	110	L60 E141 S143	R58-L60 PolarHBondContact O-N 2.84Å; R58-E141 IonicContact CZ-OE1 2.65Å; R58-E141 IonicContact NE-OE1 3.68Å; R58-E141 IonicContact NH2-OE1 2.59Å; R58-E141 PolarHBondContact NH2-OE1 3.22Å; R58-S143 VanDerWaalsContact CZ-O 3.3Å; R58-S143 PolarHBondContact NH1-O 2.83Å; R58-S143 VanDerWaalsContact NH2-CB 3.25Å; R58-S143 PolarHBondContact NH2-O 2.77Å
59	E	70.5	Confident	81.4	Confident	179 Å²	179	98.7 Å²	98.7	84%	0.836	54%	0.543	S	S	*	.			trans	-65.5	102	168	-65.4	-170.2	176.3	0	0	109.3	E57 T61	E57-E59 PolarHBondContact O-N 3.41Å; E59-T61 PolarHBondContact O-N 3.14Å
60	L	70.5	Confident	80.8	Confident	140 Å²	140	103.7 Å²	103.7	73%	0.733	56%	0.559	S	S	*	*			trans	-81.1	107.5	169.6	-65.6	176.7	0	0	0	108.3	R58	R58-L60 PolarHBondContact O-N 2.84Å
61	T	69.9	Low	80.2	Confident	65 Å²	65	104.8 Å²	104.8	40%	0.399	57%	0.567	S	S	.	*			trans	-77.8	132.7	178.7	35.4	0	0	0	0	111.7	E59 F63 E213	E59-T61 PolarHBondContact O-N 3.14Å; T61-F63 VanDerWaalsContact CB-O 3.27Å; T61-F63 WeakPolarHBondContact CB-O 3.38Å; T61-F63 PolarHBondContact O-N 3.17Å; T61-F63 PolarHBondContact OG1-O 2.87Å; T61-E213 VanDerWaalsContact OG1-CD 3.27Å; T61-E213 PolarHBondContact OG1-OE1 3.17Å
62	E	73.1	Confident	79.9	Confident	181 Å²	181	106.4 Å²	106.4	85%	0.846	57%	0.574	S	S	*	*	S	Bend	trans	-64.7	-23.7	176.4	-68.6	-170.3	161.6	0	0	112.7
63	F	72.2	Confident	79.7	Confident	157 Å²	157	100.3 Å²	100.3	69%	0.689	54%	0.542	S	S	*	.	S	Bend	trans	-132.2	145.4	179.1	-58.5	-82.6	0	0	0	109.1	T61	T61-F63 VanDerWaalsContact CB-O 3.27Å; T61-F63 WeakPolarHBondContact CB-O 3.38Å; T61-F63 PolarHBondContact O-N 3.17Å; T61-F63 PolarHBondContact OG1-O 2.87Å
64	P	67.6	Low	79.5	Confident	90 Å²	90	104.1 Å²	104.1	58%	0.584	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-54.2	139	175.4	-24.2	33.6	0	0	0	111.1	E66	P64-E66 PolarHBondContact O-N 3.1Å
65	P	68.4	Low	79.3	Confident	71 Å²	71	100.6 Å²	100.6	46%	0.461	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-59.2	136.1	-175.9	21.6	-33	0	0	0	112	G67	P65-G67 PolarHBondContact O-N 3.34Å
66	E	69.3	Low	79.3	Confident	206 Å²	206	104.7 Å²	104.7	96%	0.963	56%	0.559	S	S	*	*	S	Bend	trans	-65.8	119.1	176.7	-69.1	-167.2	166.8	0	0	111	P64	P64-E66 PolarHBondContact O-N 3.1Å
67	G	72.3	Confident	79.5	Confident	58 Å²	58	104 Å²	104	60%	0.598	55%	0.549	S	S	*	.	S	Bend	trans	135.8	-171	177.1	0	0	0	0	0	113.1	P65	P65-G67 PolarHBondContact O-N 3.34Å
68	P	75.4	Confident	79.8	Confident	118 Å²	118	101.5 Å²	101.5	77%	0.766	55%	0.545	S	S	*	.	S	Bend	trans	-67	144.9	169	29.8	-33.7	0	0	0	110.3	R70	P68-R70 PolarHBondContact O-N 3.2Å
69	P	77.3	Confident	80.5	Confident	96 Å²	96	99.8 Å²	99.8	62%	0.623	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-59.7	132.8	176.9	23.4	-32.6	0	0	0	111.1	F210	P69-F210 HydrophobicContact CB-CE2 3.66Å; P69-F210 HydrophobicContact CB-CZ 3.63Å
70	R	82.4	Confident	81.8	Confident	136 Å²	136	92.2 Å²	92.2	51%	0.513	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-65.4	135.6	175.8	-62.8	-178.7	179.7	-143.9	-2.3	110.1	P68 E74 F210 F214	P68-R70 PolarHBondContact O-N 3.2Å; R70-E74 IonicContact CZ-OE2 2.7Å; R70-E74 IonicContact NH1-OE2 3.55Å; R70-E74 PolarHBondContact NH1-OE2 2.74Å; R70-E74 IonicContact NH2-OE2 3.87Å; R70-E74 PolarHBondContact NH2-OE2 2.85Å; R70-F210 WeakPolarHBondContact O-CD2 3.25Å; R70-F214 HydrophobicContact CB-CB 3.86Å; R70-F214 HydrophobicContact CB-CD1 4.39Å; R70-F214 HydrophobicContact CB-CG 4.14Å; R70-F214 WeakPolarHBondContact O-CB 3.44Å; R70-F214 WeakPolarHBondContact O-CD2 3.42Å
71	S	81.6	Confident	83.1	Confident	60 Å²	60	89.6 Å²	89.6	42%	0.42	50%	0.504	S	S	.	.			trans	-112.9	-15.8	175.8	56	0	0	0	0	113.5	R84 F214	S71-R84 WeakPolarHBondContact O-CD 3.39Å; S71-R84 PolarHBondContact O-NE 2.85Å; S71-F214 VanDerWaalsContact C-CE2 3.43Å; S71-F214 WeakPolarHBondContact O-CE2 3.38Å
72	E	87.6	Confident	84.4	Confident	85 Å²	85	89 Å²	89	40%	0.397	50%	0.501	S	S	.	.	S	Bend	trans	-134.2	152.3	-173.4	-73.9	-178.4	179.5	0	0	110.4	F109 F214	E72-F109 HydrophobicContact CB-CE2 4.36Å; E72-F109 HydrophobicContact CG-CD2 4.27Å; E72-F109 HydrophobicContact CG-CE2 4.12Å; E72-F214 VanDerWaalsContact C-CE1 3.48Å; E72-F214 VanDerWaalsContact C-CZ 3.49Å; E72-F214 WeakPolarHBondContact O-CE1 3.29Å
73	P	89.9	Confident	85.5	Confident	11 Å²	11	83.4 Å²	83.4	7%	0.071	48%	0.482	C	S	.	.			trans	-66.6	156.6	175.7	27.7	-32	0	0	0	111.8	Y77 F109 F214 P216	P73-Y77 WeakPolarHBondContact CG-OH 3.47Å; P73-Y77 PolarHBondContact O-OH 3.16Å; P73-F109 HydrophobicContact CG-CD1 3.5Å; P73-F109 HydrophobicContact CG-CD2 4.27Å; P73-F109 HydrophobicContact CG-CE1 3.52Å; P73-F109 HydrophobicContact CG-CE2 4.29Å; P73-F109 HydrophobicContact CG-CG 3.88Å; P73-F109 HydrophobicContact CG-CZ 3.92Å; P73-F214 HydrophobicContact CB-CE1 4.33Å; P73-P216 HydrophobicContact CB-CB 3.96Å
74	E	90.3	Very high	86.6	Confident	134 Å²	134	79.4 Å²	79.4	63%	0.626	46%	0.462	S	S	*	.			trans	-86.9	142.2	173.9	-166.5	165	175.1	0	0	110	H47 R70 Y77	H47-E74 PolarHBondContact ND1-O 2.73Å; R70-E74 IonicContact CZ-OE2 2.7Å; R70-E74 IonicContact NH1-OE2 3.55Å; R70-E74 PolarHBondContact NH1-OE2 2.74Å; R70-E74 IonicContact NH2-OE2 3.87Å; R70-E74 PolarHBondContact NH2-OE2 2.85Å; E74-Y77 VanDerWaalsContact C-OH 3.31Å; E74-Y77 PolarHBondContact O-OH 2.96Å
75	G	91.3	Very high	87.9	Confident	35 Å²	35	79.4 Å²	79.4	36%	0.361	45%	0.454	S	S	.	.	S	Bend	trans	167.7	164.9	-178.3	0	0	0	0	0	113.2	P46	P46-G75 CarbonylContact O-C 3.44Å; P46-G75 WeakPolarHBondContact O-CA 3.36Å
76	D	94.9	Very high	89.1	Confident	91 Å²	91	80.1 Å²	80.1	49%	0.487	45%	0.454	S	S	.	.			trans	-88	112	161.6	178.6	9.3	0	0	0	108	N43 P46 T78	N43-D76 PolarHBondContact ND2-O 2.95Å; P46-D76 VanDerWaalsContact CA-O 3.28Å; P46-D76 WeakPolarHBondContact CA-O 3.44Å; P46-D76 VanDerWaalsContact CB-O 3.31Å; P46-D76 WeakPolarHBondContact CB-O 3.35Å; P46-D76 PolarHBondContact O-N 2.98Å; D76-T78 WeakPolarHBondContact OD1-CB 3.3Å; D76-T78 PolarHBondContact OD1-N 2.6Å; D76-T78 PolarHBondContact OD1-OG1 2.95Å
77	Y	95.7	Very high	90.2	Very high	43 Å²	43	73.9 Å²	73.9	17%	0.169	43%	0.427	C	S	.	.			trans	-97.1	17	176.5	-56.8	-61.2	0	0	0	112.9	P46 H47 P73 E74 G79 W80 T82 F109 L111	P46-Y77 HydrophobicContact CB-CD1 3.75Å; P46-Y77 HydrophobicContact CB-CE1 3.85Å; P46-Y77 HydrophobicContact CG-CE1 4.48Å; H47-Y77 AromaticContact CE1-CE1 3.94Å; H47-Y77 AromaticContact CE1-CZ 3.95Å; H47-Y77 PolarHBondContact CE1-OH 3.18Å; H47-Y77 PolarHBondContact ND1-OH 2.92Å; P73-Y77 WeakPolarHBondContact CG-OH 3.47Å; P73-Y77 PolarHBondContact O-OH 3.16Å; E74-Y77 VanDerWaalsContact C-OH 3.31Å; E74-Y77 PolarHBondContact O-OH 2.96Å; Y77-G79 PolarHBondContact O-N 2.7Å; Y77-G79 VanDerWaalsContact O-N 3.14Å; Y77-W80 WeakPolarHBondContact O-CB 3.37Å; Y77-W80 PolarHBondContact O-N 3.14Å; Y77-T82 HydrophobicContact CD1-CG2 4.06Å; Y77-T82 HydrophobicContact CD2-CG2 4.26Å; Y77-T82 HydrophobicContact CG-CG2 3.75Å; Y77-F109 HydrophobicContact CD2-CZ 4.43Å; Y77-F109 AromaticContact CE1-CE1 3.93Å; Y77-F109 HydrophobicContact CE1-CE1 3.93Å; Y77-F109 HydrophobicContact CE1-CZ 4.26Å; Y77-F109 HydrophobicContact CE2-CE1 4.45Å; Y77-F109 HydrophobicContact CE2-CZ 4.02Å; Y77-F109 AromaticContact CZ-CE1 3.93Å; Y77-F109 AromaticContact CZ-CZ 3.97Å; Y77-L111 HydrophobicContact CD1-CD2 3.67Å; Y77-L111 HydrophobicContact CE1-CD2 3.86Å
78	T	95.9	Very high	90.8	Very high	99 Å²	99	72.5 Å²	72.5	61%	0.607	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	120.9	178	-62.6	0	0	0	0	110.9	N43 D76	N43-T78 VanDerWaalsContact CB-O 3.23Å; N43-T78 WeakPolarHBondContact CB-O 3.45Å; N43-T78 PolarHBondContact ND2-O 3.14Å; D76-T78 WeakPolarHBondContact OD1-CB 3.3Å; D76-T78 PolarHBondContact OD1-N 2.6Å; D76-T78 PolarHBondContact OD1-OG1 2.95Å
79	G	94.3	Very high	91.2	Very high	41 Å²	41	74.3 Å²	74.3	42%	0.423	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.9	-8.2	-177	0	0	0	0	0	115.1	Y77 Q113	Y77-G79 PolarHBondContact O-N 2.7Å; Y77-G79 VanDerWaalsContact O-N 3.14Å; G79-Q113 WeakPolarHBondContact O-CG 3.28Å; G79-Q113 PolarHBondContact O-NE2 3.02Å; G79-Q113 VanDerWaalsContact O-NE2 3.14Å
80	W	97.3	Very high	91.3	Very high	20 Å²	20	74.6 Å²	74.6	8%	0.076	40%	0.402	C	S	.	.			trans	-105	144.1	175.2	-64.9	94.7	0	0	0	111.2	L41 R42 N43 Y77 L111 Q113 F202	L41-W80 HydrophobicContact CD1-CH2 4.14Å; R42-W80 PolarHBondContact O-NE1 2.74Å; N43-W80 PolarHBondContact O-NE1 3.44Å; Y77-W80 WeakPolarHBondContact O-CB 3.37Å; Y77-W80 PolarHBondContact O-N 3.14Å; W80-L111 HydrophobicContact CB-CB 4.45Å; W80-L111 HydrophobicContact CD2-CB 4.09Å; W80-L111 HydrophobicContact CD2-CD2 4.29Å; W80-L111 HydrophobicContact CE3-CB 3.64Å; W80-L111 HydrophobicContact CG-CB 4.45Å; W80-L111 HydrophobicContact CG-CD2 4.24Å; W80-L111 HydrophobicContact CZ3-CB 4.21Å; W80-Q113 HydrophobicContact CD2-CB 4.42Å; W80-Q113 HydrophobicContact CE3-CB 3.78Å; W80-Q113 HydrophobicContact CH2-CB 4.37Å; W80-Q113 HydrophobicContact CZ3-CB 3.76Å; W80-F202 AromaticContact CH2-CD1 3.79Å; W80-F202 HydrophobicContact CH2-CD1 3.79Å; W80-F202 AromaticContact CH2-CE1 3.84Å; W80-F202 HydrophobicContact CH2-CE1 3.84Å; W80-F202 AromaticContact CZ3-CD1 3.84Å; W80-F202 HydrophobicContact CZ3-CD1 3.84Å; W80-F202 HydrophobicContact CZ3-CE1 4.18Å
81	T	97.9	Very high	91.2	Very high	84 Å²	84	70.5 Å²	70.5	52%	0.515	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	125.5	159.2	-56.1	0	0	0	0	107.2	L111 E112	T81-L111 WeakPolarHBondContact O-CA 3.11Å; T81-E112 HydrophobicContact CG2-CG 4.25Å; T81-E112 PolarHBondContact N-O 3.11Å; T81-E112 PolarHBondContact O-N 2.96Å
82	T	97.3	Very high	91.2	Very high	54 Å²	54	72.7 Å²	72.7	33%	0.331	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	149.6	178.3	58.8	0	0	0	0	111.4	Y77 F109 T110 L111	Y77-T82 HydrophobicContact CD1-CG2 4.06Å; Y77-T82 HydrophobicContact CD2-CG2 4.26Å; Y77-T82 HydrophobicContact CG-CG2 3.75Å; T82-F109 HydrophobicContact CG2-CE1 4.27Å; T82-F109 HydrophobicContact CG2-CE2 4.47Å; T82-F109 HydrophobicContact CG2-CZ 3.73Å; T82-T110 CarbonylContact C-O 3.55Å; T82-T110 VanDerWaalsContact CA-O 3.28Å; T82-T110 WeakPolarHBondContact CA-O 3.43Å; T82-L111 HydrophobicContact CG2-CG 4.26Å
83	S	96.9	Very high	90.8	Very high	62 Å²	62	72 Å²	72	43%	0.434	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	156.6	170.7	59.7	0	0	0	0	112	T110	S83-T110 PolarHBondContact N-O 2.94Å; S83-T110 PolarHBondContact O-N 2.93Å
84	R	95.1	Very high	90.5	Very high	73 Å²	73	73.6 Å²	73.6	28%	0.275	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	134.5	-176.4	-175.5	170.6	-179.8	-80	-17.4	111	S71 D86 S107 W108	S71-R84 WeakPolarHBondContact O-CD 3.39Å; S71-R84 PolarHBondContact O-NE 2.85Å; R84-D86 IonicContact CZ-OD1 3.66Å; R84-D86 VanDerWaalsContact CZ-OD1 3.24Å; R84-D86 IonicContact CZ-OD2 3.88Å; R84-D86 IonicContact NH1-OD1 3.26Å; R84-D86 PolarHBondContact NH1-OD1 3.06Å; R84-D86 VanDerWaalsContact NH1-OD1 3.12Å; R84-D86 IonicContact NH1-OD2 2.69Å; R84-D86 PolarHBondContact NH1-OD2 2.89Å; R84-D86 IonicContact NH2-OD1 3.41Å; R84-D86 PolarHBondContact NH2-OD1 3Å; R84-D86 IonicContact NH2-OD2 3.62Å; R84-S107 PolarHBondContact NH2-OG 2.86Å; R84-W108 CarbonylContact C-O 3.58Å; R84-W108 WeakPolarHBondContact CA-O 3.04Å
85	E	95.8	Very high	90.3	Very high	91 Å²	91	71 Å²	71	43%	0.425	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	111.8	173.1	177.4	-175.5	-147.1	0	0	108.7	L87 S107 W108 R205	E85-L87 HydrophobicContact CG-CD2 4.42Å; E85-S107 CarbonylContact O-C 3.58Å; E85-S107 WeakPolarHBondContact O-CA 3.45Å; E85-S107 VanDerWaalsContact O-CB 3.28Å; E85-S107 WeakPolarHBondContact O-CB 3.37Å; E85-W108 HydrophobicContact CB-CB 4.34Å; E85-W108 PolarHBondContact N-O 2.93Å; E85-W108 PolarHBondContact O-N 3.37Å; E85-R205 IonicContact OE2-CZ 2.68Å; E85-R205 IonicContact OE2-NH1 3.68Å; E85-R205 IonicContact OE2-NH2 2.59Å; E85-R205 PolarHBondContact OE2-NH2 2.85Å
86	D	93.5	Very high	90.1	Very high	85 Å²	85	75.8 Å²	75.8	46%	0.455	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	126.8	169	-77.2	-70.1	0	0	0	110.2	R84 N105	R84-D86 IonicContact CZ-OD1 3.66Å; R84-D86 VanDerWaalsContact CZ-OD1 3.24Å; R84-D86 IonicContact CZ-OD2 3.88Å; R84-D86 IonicContact NH1-OD1 3.26Å; R84-D86 PolarHBondContact NH1-OD1 3.06Å; R84-D86 VanDerWaalsContact NH1-OD1 3.12Å; R84-D86 IonicContact NH1-OD2 2.69Å; R84-D86 PolarHBondContact NH1-OD2 2.89Å; R84-D86 IonicContact NH2-OD1 3.41Å; R84-D86 PolarHBondContact NH2-OD1 3Å; R84-D86 IonicContact NH2-OD2 3.62Å; D86-N105 PolarHBondContact OD1-ND2 3.18Å
87	L	91.9	Very high	89.6	Confident	75 Å²	75	75.5 Å²	75.5	39%	0.393	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-12.2	176.8	-60.9	175	0	0	0	112.6	E85 Y106	E85-L87 HydrophobicContact CG-CD2 4.42Å; L87-Y106 WeakPolarHBondContact CB-O 3.4Å; L87-Y106 PolarHBondContact N-O 2.81Å
88	G	84.6	Confident	89.2	Confident	30 Å²	30	77.4 Å²	77.4	31%	0.309	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	77	-174.3	-178.7	0	0	0	0	0	113.4	N105	G88-N105 VanDerWaalsContact C-OD1 3.32Å; G88-N105 WeakPolarHBondContact CA-OD1 3.45Å; G88-N105 PolarHBondContact N-OD1 2.72Å; G88-N105 PolarHBondContact O-OD1 3.19Å
89	Y	82.9	Confident	88.5	Confident	155 Å²	155	78.6 Å²	78.6	61%	0.608	50%	0.499	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	122	179.7	-62.5	-72.3	0	0	0	111.2	A91 L103 N105	Y89-A91 PolarHBondContact O-N 3.45Å; Y89-L103 HydrophobicContact CD1-CB 3.7Å; Y89-L103 HydrophobicContact CE1-CB 4.26Å; Y89-N105 HydrophobicContact CD1-CB 4.16Å; Y89-N105 HydrophobicContact CE1-CB 3.79Å
90	D	80.7	Confident	87.6	Confident	103 Å²	103	80.7 Å²	80.7	55%	0.551	50%	0.499	S	S	*	.			trans	-81.6	112.6	163.3	-176.3	11.2	0	0	0	109.8	S92	D90-S92 WeakPolarHBondContact OD1-CB 3.23Å; D90-S92 PolarHBondContact OD1-N 2.87Å; D90-S92 PolarHBondContact OD1-OG 2.8Å; D90-S92 PolarHBondContact OD2-OG 3.43Å
91	A	80	Confident	86.5	Confident	50 Å²	50	84.8 Å²	84.8	41%	0.413	53%	0.53	S	S	.	.			trans	-108.1	8.1	174.7	0	0	0	0	0	112.7	Y89 G93 V94 L103	Y89-A91 PolarHBondContact O-N 3.45Å; A91-G93 PolarHBondContact O-N 2.87Å; A91-V94 HydrophobicContact CB-CG2 4.32Å; A91-V94 WeakPolarHBondContact O-CB 3.37Å; A91-V94 PolarHBondContact O-N 2.86Å; A91-L103 HydrophobicContact CB-CD1 4.34Å
92	S	80.9	Confident	85.3	Confident	105 Å²	105	88.4 Å²	88.4	73%	0.734	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-30.6	-174.5	64	0	0	0	0	113.7	D90	D90-S92 WeakPolarHBondContact OD1-CB 3.23Å; D90-S92 PolarHBondContact OD1-N 2.87Å; D90-S92 PolarHBondContact OD1-OG 2.8Å; D90-S92 PolarHBondContact OD2-OG 3.43Å
93	G	80.6	Confident	84.7	Confident	70 Å²	70	87.6 Å²	87.6	72%	0.722	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	0.7	175	0	0	0	0	0	115.8	A91 P95	A91-G93 PolarHBondContact O-N 2.87Å; G93-P95 WeakPolarHBondContact O-CD 3.46Å
94	V	83.8	Confident	84.2	Confident	46 Å²	46	86.1 Å²	86.1	28%	0.279	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-90.7	121.2	-174.7	-175.8	0	0	0	0	111.2	A91 V98 I100 L103	A91-V94 HydrophobicContact CB-CG2 4.32Å; A91-V94 WeakPolarHBondContact O-CB 3.37Å; A91-V94 PolarHBondContact O-N 2.86Å; V94-V98 HydrophobicContact CG1-CB 4.11Å; V94-V98 HydrophobicContact CG1-CG1 4.37Å; V94-I100 HydrophobicContact CG1-CD1 4.06Å; V94-I100 HydrophobicContact CG1-CG1 4.01Å; V94-I100 HydrophobicContact CG2-CD1 4.33Å; V94-L103 HydrophobicContact CG2-CD1 4.48Å; V94-L103 HydrophobicContact CG2-CD2 4.29Å
95	P	85.6	Confident	84	Confident	80 Å²	80	83.7 Å²	83.7	52%	0.519	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-65.2	148.2	178.5	-22.1	33.5	0	0	0	113.6	G93 G97 V98	G93-P95 WeakPolarHBondContact O-CD 3.46Å; P95-G97 PolarHBondContact O-N 2.68Å; P95-V98 HydrophobicContact CB-CG2 4.01Å; P95-V98 HydrophobicContact CG-CG2 4.32Å; P95-V98 WeakPolarHBondContact O-CG2 3.44Å; P95-V98 PolarHBondContact O-N 3.15Å
96	P	85.6	Confident	83.9	Confident	135 Å²	135	81.2 Å²	81.2	88%	0.877	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	136.3	174.9	-24.7	34.2	0	0	0	112.8
97	G	86	Confident	84	Confident	84 Å²	84	77.2 Å²	77.2	87%	0.866	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.3	-1.9	177.7	0	0	0	0	0	115.5	P95	P95-G97 PolarHBondContact O-N 2.68Å
98	V	85.8	Confident	84.3	Confident	83 Å²	83	74.3 Å²	74.3	50%	0.503	46%	0.459	S	S	.	.			trans	-76.5	132	172.4	177.6	0	0	0	0	110.3	V94 P95	V94-V98 HydrophobicContact CG1-CB 4.11Å; V94-V98 HydrophobicContact CG1-CG1 4.37Å; P95-V98 HydrophobicContact CB-CG2 4.01Å; P95-V98 HydrophobicContact CG-CG2 4.32Å; P95-V98 WeakPolarHBondContact O-CG2 3.44Å; P95-V98 PolarHBondContact O-N 3.15Å
99	T	81.1	Confident	84.9	Confident	125 Å²	125	73 Å²	73	77%	0.767	45%	0.445	S	S	*	.			trans	-82.4	122.6	169.2	-61.1	0	0	0	0	109.3
100	I	75.7	Confident	85.6	Confident	84 Å²	84	65.9 Å²	65.9	43%	0.431	42%	0.418	S	S	.	.			trans	-89.2	114.4	-179.2	-60.6	166.3	0	0	0	108.8	V94 L103	V94-I100 HydrophobicContact CG1-CD1 4.06Å; V94-I100 HydrophobicContact CG1-CG1 4.01Å; V94-I100 HydrophobicContact CG2-CD1 4.33Å; I100-L103 HydrophobicContact CD1-CD1 3.97Å; I100-L103 HydrophobicContact CG2-CB 4.4Å; I100-L103 HydrophobicContact CG2-CD1 3.96Å; I100-L103 HydrophobicContact CG2-CG 3.65Å
101	C	74.7	Confident	86.5	Confident	106 Å²	106	61 Å²	61	72%	0.716	39%	0.392	S	S	*	.	S	Bend	trans	-82	-45.8	173	-60.3	0	0	0	0	111.7
102	Y	73.7	Confident	87.3	Confident	160 Å²	160	61.5 Å²	61.5	63%	0.627	39%	0.386	S	S	*	.			trans	-147.4	137.9	177.2	-62.9	-81	0	0	0	109.6
103	L	84	Confident	88.1	Confident	38 Å²	38	57.3 Å²	57.3	20%	0.199	36%	0.355	C	S	.	.			trans	-121.6	149.1	164.7	-86.2	172.5	0	0	0	108.8	Y89 A91 V94 I100 N105	Y89-L103 HydrophobicContact CD1-CB 3.7Å; Y89-L103 HydrophobicContact CE1-CB 4.26Å; A91-L103 HydrophobicContact CB-CD1 4.34Å; V94-L103 HydrophobicContact CG2-CD1 4.48Å; V94-L103 HydrophobicContact CG2-CD2 4.29Å; I100-L103 HydrophobicContact CD1-CD1 3.97Å; I100-L103 HydrophobicContact CG2-CB 4.4Å; I100-L103 HydrophobicContact CG2-CD1 3.96Å; I100-L103 HydrophobicContact CG2-CG 3.65Å; L103-N105 PolarHBondContact O-N 2.85Å
104	P	86.9	Confident	89	Confident	30 Å²	30	61.1 Å²	61.1	20%	0.195	35%	0.347	C	S	.	.			trans	-65.7	128.4	167.5	30.1	-33.7	0	0	0	109.7	Y106 K209 F210	P104-Y106 HydrophobicContact CB-CE2 4.08Å; P104-Y106 HydrophobicContact CG-CE2 4.1Å; P104-K209 HydrophobicContact CB-CD 4.4Å; P104-K209 HydrophobicContact CB-CG 4.07Å; P104-F210 WeakPolarHBondContact CA-O 3.45Å
105	N	90.6	Very high	89.6	Confident	23 Å²	23	59.1 Å²	59.1	12%	0.123	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	132.2	164.3	-178.5	23.2	0	0	0	107.8	D86 G88 Y89 L103 F210	D86-N105 PolarHBondContact OD1-ND2 3.18Å; G88-N105 VanDerWaalsContact C-OD1 3.32Å; G88-N105 WeakPolarHBondContact CA-OD1 3.45Å; G88-N105 PolarHBondContact N-OD1 2.72Å; G88-N105 PolarHBondContact O-OD1 3.19Å; Y89-N105 HydrophobicContact CD1-CB 4.16Å; Y89-N105 HydrophobicContact CE1-CB 3.79Å; L103-N105 PolarHBondContact O-N 2.85Å; N105-F210 PolarHBondContact N-O 3.46Å; N105-F210 PolarHBondContact O-N 3.28Å
106	Y	93.7	Very high	90.2	Very high	39 Å²	39	58 Å²	58	15%	0.153	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	148.6	176.4	-63.7	-77.8	0	0	0	110.6	L87 P104 L145 K207 N208 K209	L87-Y106 WeakPolarHBondContact CB-O 3.4Å; L87-Y106 PolarHBondContact N-O 2.81Å; P104-Y106 HydrophobicContact CB-CE2 4.08Å; P104-Y106 HydrophobicContact CG-CE2 4.1Å; Y106-L145 VanDerWaalsContact CE1-O 3.3Å; Y106-L145 WeakPolarHBondContact CE1-O 3.41Å; Y106-L145 PolarHBondContact OH-O 2.91Å; Y106-K207 HydrophobicContact CD1-CG 4.36Å; Y106-N208 WeakPolarHBondContact CA-O 3.38Å; Y106-K209 HydrophobicContact CD1-CB 3.94Å; Y106-K209 HydrophobicContact CD1-CG 4.15Å; Y106-K209 HydrophobicContact CE1-CB 3.8Å; Y106-K209 HydrophobicContact CE1-CD 3.95Å; Y106-K209 HydrophobicContact CE1-CG 3.68Å
107	S	95.5	Very high	90.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	143.3	171.9	54.1	0	0	0	0	110.8	R84 E85 N208	R84-S107 PolarHBondContact NH2-OG 2.86Å; E85-S107 CarbonylContact O-C 3.58Å; E85-S107 WeakPolarHBondContact O-CA 3.45Å; E85-S107 VanDerWaalsContact O-CB 3.28Å; E85-S107 WeakPolarHBondContact O-CB 3.37Å; S107-N208 PolarHBondContact N-O 2.67Å; S107-N208 PolarHBondContact O-N 3.23Å
108	W	97.4	Very high	91	Very high	15 Å²	15	52.8 Å²	52.8	6%	0.057	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	128.5	164.8	-69.8	112.3	0	0	0	109.1	R84 E85 S148 Q151 R205 L206 K207	R84-W108 CarbonylContact C-O 3.58Å; R84-W108 WeakPolarHBondContact CA-O 3.04Å; E85-W108 HydrophobicContact CB-CB 4.34Å; E85-W108 PolarHBondContact N-O 2.93Å; E85-W108 PolarHBondContact O-N 3.37Å; W108-S148 WeakPolarHBondContact CH2-O 3.16Å; W108-Q151 HydrophobicContact CH2-CG 3.76Å; W108-Q151 HydrophobicContact CZ2-CG 4.26Å; W108-Q151 HydrophobicContact CZ3-CG 4.07Å; W108-R205 HydrophobicContact CD2-CB 4.35Å; W108-R205 HydrophobicContact CE3-CB 3.71Å; W108-R205 HydrophobicContact CZ3-CB 4.23Å; W108-L206 CarbonylContact C-O 3.51Å; W108-L206 WeakPolarHBondContact CA-O 3.27Å; W108-L206 VanDerWaalsContact CE3-C 3.47Å; W108-K207 HydrophobicContact CE3-CB 4Å; W108-K207 HydrophobicContact CH2-CB 4.01Å; W108-K207 HydrophobicContact CH2-CD 4.17Å; W108-K207 HydrophobicContact CH2-CG 4.46Å; W108-K207 HydrophobicContact CZ2-CD 4.12Å; W108-K207 HydrophobicContact CZ3-CB 3.7Å; W108-K207 HydrophobicContact CZ3-CG 4.45Å
109	F	97.8	Very high	91.4	Very high	1 Å²	1	51.5 Å²	51.5	0%	0.004	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	124.4	161.3	-173.6	-107.4	0	0	0	108.1	E72 P73 Y77 T82 L111 R205 L206 N208	E72-F109 HydrophobicContact CB-CE2 4.36Å; E72-F109 HydrophobicContact CG-CD2 4.27Å; E72-F109 HydrophobicContact CG-CE2 4.12Å; P73-F109 HydrophobicContact CG-CD1 3.5Å; P73-F109 HydrophobicContact CG-CD2 4.27Å; P73-F109 HydrophobicContact CG-CE1 3.52Å; P73-F109 HydrophobicContact CG-CE2 4.29Å; P73-F109 HydrophobicContact CG-CG 3.88Å; P73-F109 HydrophobicContact CG-CZ 3.92Å; Y77-F109 HydrophobicContact CD2-CZ 4.43Å; Y77-F109 AromaticContact CE1-CE1 3.93Å; Y77-F109 HydrophobicContact CE1-CE1 3.93Å; Y77-F109 HydrophobicContact CE1-CZ 4.26Å; Y77-F109 HydrophobicContact CE2-CE1 4.45Å; Y77-F109 HydrophobicContact CE2-CZ 4.02Å; Y77-F109 AromaticContact CZ-CE1 3.93Å; Y77-F109 AromaticContact CZ-CZ 3.97Å; T82-F109 HydrophobicContact CG2-CE1 4.27Å; T82-F109 HydrophobicContact CG2-CE2 4.47Å; T82-F109 HydrophobicContact CG2-CZ 3.73Å; F109-L111 HydrophobicContact CD1-CD1 3.58Å; F109-L111 HydrophobicContact CD1-CG 4.3Å; F109-L111 HydrophobicContact CE1-CD1 3.64Å; F109-L111 HydrophobicContact CE1-CD2 4.41Å; F109-L111 HydrophobicContact CE1-CG 3.88Å; F109-R205 CarbonylContact O-C 3.58Å; F109-R205 WeakPolarHBondContact O-CA 2.94Å; F109-L206 PolarHBondContact N-O 2.98Å; F109-L206 PolarHBondContact O-N 3.36Å; F109-N208 VanDerWaalsContact CB-ND2 3.26Å; F109-N208 WeakPolarHBondContact CB-ND2 3.44Å
110	T	98.2	Very high	92.1	Very high	7 Å²	7	47 Å²	47	4%	0.043	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	132.6	-175.2	-57	0	0	0	0	108.5	T82 S83 L203 H204 R205	T82-T110 CarbonylContact C-O 3.55Å; T82-T110 VanDerWaalsContact CA-O 3.28Å; T82-T110 WeakPolarHBondContact CA-O 3.43Å; S83-T110 PolarHBondContact N-O 2.94Å; S83-T110 PolarHBondContact O-N 2.93Å; T110-L203 HydrophobicContact CG2-CD1 3.89Å; T110-L203 HydrophobicContact CG2-CD2 3.8Å; T110-L203 HydrophobicContact CG2-CG 3.66Å; T110-H204 WeakPolarHBondContact CA-O 3.3Å; T110-R205 HydrophobicContact CG2-CG 4.11Å; T110-R205 PolarHBondContact OG1-NE 3.14Å; T110-R205 VanDerWaalsContact OG1-NE 3.09Å
111	L	98.3	Very high	92.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	131.1	166.3	-48.5	76.6	0	0	0	108.1	P46 Y77 W80 T81 T82 F109 L203 H204 L206	P46-L111 HydrophobicContact CB-CD2 4.21Å; P46-L111 HydrophobicContact CG-CD2 3.8Å; Y77-L111 HydrophobicContact CD1-CD2 3.67Å; Y77-L111 HydrophobicContact CE1-CD2 3.86Å; W80-L111 HydrophobicContact CB-CB 4.45Å; W80-L111 HydrophobicContact CD2-CB 4.09Å; W80-L111 HydrophobicContact CD2-CD2 4.29Å; W80-L111 HydrophobicContact CE3-CB 3.64Å; W80-L111 HydrophobicContact CG-CB 4.45Å; W80-L111 HydrophobicContact CG-CD2 4.24Å; W80-L111 HydrophobicContact CZ3-CB 4.21Å; T81-L111 WeakPolarHBondContact O-CA 3.11Å; T82-L111 HydrophobicContact CG2-CG 4.26Å; F109-L111 HydrophobicContact CD1-CD1 3.58Å; F109-L111 HydrophobicContact CD1-CG 4.3Å; F109-L111 HydrophobicContact CE1-CD1 3.64Å; F109-L111 HydrophobicContact CE1-CD2 4.41Å; F109-L111 HydrophobicContact CE1-CG 3.88Å; L111-L203 WeakPolarHBondContact O-CA 3.31Å; L111-H204 PolarHBondContact N-O 2.88Å; L111-H204 PolarHBondContact O-CD2 3.03Å; L111-H204 PolarHBondContact O-N 3.25Å; L111-L206 HydrophobicContact CD1-CD1 3.98Å
112	E	98.1	Very high	93.6	Very high	61 Å²	61	38.1 Å²	38.1	29%	0.285	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	148.7	176.3	67.4	176.4	-150.3	0	0	112.1	T81 H201 F202 L203	T81-E112 HydrophobicContact CG2-CG 4.25Å; T81-E112 PolarHBondContact N-O 3.11Å; T81-E112 PolarHBondContact O-N 2.96Å; E112-H201 IonicContact OE2-NE2 3.5Å; E112-F202 CarbonylContact C-O 3.56Å; E112-F202 VanDerWaalsContact CA-O 3.3Å; E112-F202 WeakPolarHBondContact CA-O 3.28Å; E112-L203 HydrophobicContact CB-CB 4.01Å; E112-L203 HydrophobicContact CB-CD1 4.09Å; E112-L203 HydrophobicContact CB-CG 4.04Å
113	Q	98.2	Very high	94.5	Very high	17 Å²	17	30.9 Å²	30.9	8%	0.079	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	138.3	174.4	-161.5	177.4	123.1	0	0	110.1	L41 R42 G79 W80 F202	L41-Q113 HydrophobicContact CD2-CB 4.01Å; L41-Q113 HydrophobicContact CD2-CG 4.27Å; R42-Q113 PolarHBondContact O-NE2 3.48Å; G79-Q113 WeakPolarHBondContact O-CG 3.28Å; G79-Q113 PolarHBondContact O-NE2 3.02Å; G79-Q113 VanDerWaalsContact O-NE2 3.14Å; W80-Q113 HydrophobicContact CD2-CB 4.42Å; W80-Q113 HydrophobicContact CE3-CB 3.78Å; W80-Q113 HydrophobicContact CH2-CB 4.37Å; W80-Q113 HydrophobicContact CZ3-CB 3.76Å; Q113-F202 PolarHBondContact N-O 2.8Å; Q113-F202 PolarHBondContact O-N 2.94Å
114	R	97.8	Very high	94.9	Very high	149 Å²	149	30.7 Å²	30.7	56%	0.562	15%	0.15	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-111.4	118.4	175.6	-171.5	-178.9	66.5	-174.4	0.6	110.4	Y199 V200	R114-Y199 HydrophobicContact CG-CD1 4.32Å; R114-Y199 HydrophobicContact CG-CG 4.45Å; R114-V200 CarbonylContact C-O 3.48Å; R114-V200 WeakPolarHBondContact CA-O 3.49Å
115	V	97.6	Very high	95	Very high	5 Å²	5	33.6 Å²	33.6	3%	0.03	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	128	174.7	-179.1	0	0	0	0	109.1	L40 L41 L117 E120 Y199 V200	L40-V115 HydrophobicContact CB-CG1 3.74Å; L40-V115 HydrophobicContact CB-CG2 4.24Å; L40-V115 HydrophobicContact CD1-CG1 3.97Å; L40-V115 HydrophobicContact CG-CG1 4.5Å; L41-V115 HydrophobicContact CD2-CG2 3.9Å; V115-L117 HydrophobicContact CG1-CD2 4.28Å; V115-E120 HydrophobicContact CG1-CG 3.86Å; V115-Y199 CarbonylContact O-C 3.58Å; V115-Y199 WeakPolarHBondContact O-CA 3.37Å; V115-Y199 WeakPolarHBondContact O-CB 3.23Å; V115-V200 HydrophobicContact CB-CB 4.27Å; V115-V200 PolarHBondContact N-O 3Å; V115-V200 PolarHBondContact O-N 2.87Å
116	D	97.3	Very high	95	Very high	57 Å²	57	32.5 Å²	32.5	31%	0.305	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	107	166.8	178.1	-27.1	0	0	0	108.4	K118 A119 E120 Y199	D116-K118 PolarHBondContact O-N 2.93Å; D116-K118 WeakPolarHBondContact OD1-CA 3.33Å; D116-K118 WeakPolarHBondContact OD1-CB 3.49Å; D116-K118 PolarHBondContact OD1-N 2.94Å; D116-A119 HydrophobicContact CB-CB 3.82Å; D116-A119 PolarHBondContact O-N 2.91Å; D116-A119 PolarHBondContact OD1-N 3.22Å; D116-E120 WeakPolarHBondContact O-CG 3.49Å; D116-E120 PolarHBondContact O-N 3.04Å; D116-Y199 HydrophobicContact CB-CD1 3.89Å; D116-Y199 HydrophobicContact CB-CE1 3.91Å
117	L	96.3	Very high	95	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-31.7	-173.7	-67.1	171.5	0	0	0	111.8	L40 V115 E120 G121 V122 L127 I134 V197 R198 V200 V226	L40-L117 HydrophobicContact CD1-CD2 3.84Å; V115-L117 HydrophobicContact CG1-CD2 4.28Å; L117-E120 PolarHBondContact O-N 3.01Å; L117-G121 PolarHBondContact O-N 2.86Å; L117-V122 CarbonylContact C-O 3.39Å; L117-V122 HydrophobicContact CB-CB 4.13Å; L117-V122 HydrophobicContact CB-CG2 4.36Å; L117-V122 HydrophobicContact CD2-CG2 4.44Å; L117-V122 WeakPolarHBondContact O-CA 3.44Å; L117-V122 VanDerWaalsContact O-CB 3.25Å; L117-V122 WeakPolarHBondContact O-CB 3.47Å; L117-V122 WeakPolarHBondContact O-CG2 3.47Å; L117-V122 PolarHBondContact O-N 3.01Å; L117-L127 HydrophobicContact CB-CD1 3.91Å; L117-L127 HydrophobicContact CD1-CD1 4.11Å; L117-L127 HydrophobicContact CD1-CD2 3.9Å; L117-I134 HydrophobicContact CD1-CD1 4.16Å; L117-V197 HydrophobicContact CD1-CG1 3.81Å; L117-R198 WeakPolarHBondContact CB-O 3.3Å; L117-R198 PolarHBondContact N-O 2.82Å; L117-V200 HydrophobicContact CD1-CG2 4.08Å; L117-V200 HydrophobicContact CD2-CG2 3.91Å; L117-V200 HydrophobicContact CG-CG2 4.17Å; L117-V226 HydrophobicContact CD2-CG2 4.1Å
118	K	92.9	Very high	94.9	Very high	108 Å²	108	32.9 Å²	32.9	47%	0.47	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-40.8	179.6	-169.6	174.4	-169.3	160.6	0	111.5	D116 E120 G121 V122 D124	D116-K118 PolarHBondContact O-N 2.93Å; D116-K118 WeakPolarHBondContact OD1-CA 3.33Å; D116-K118 WeakPolarHBondContact OD1-CB 3.49Å; D116-K118 PolarHBondContact OD1-N 2.94Å; K118-E120 PolarHBondContact O-N 2.97Å; K118-G121 PolarHBondContact O-N 2.67Å; K118-G121 VanDerWaalsContact O-N 3.11Å; K118-V122 WeakPolarHBondContact CA-O 3.48Å; K118-D124 WeakPolarHBondContact CD-OD1 3.34Å; K118-D124 IonicContact NZ-OD1 2.67Å; K118-D124 IonicContact NZ-OD2 2.67Å; K118-D124 PolarHBondContact NZ-OD2 2.9Å
119	A	93.8	Very high	94.5	Very high	56 Å²	56	35.2 Å²	35.2	46%	0.463	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-28.5	172.2	0	0	0	0	0	112.6	F29 D116 G121	F29-A119 WeakPolarHBondContact CZ-O 3.48Å; D116-A119 HydrophobicContact CB-CB 3.82Å; D116-A119 PolarHBondContact O-N 2.91Å; D116-A119 PolarHBondContact OD1-N 3.22Å; A119-G121 VanDerWaalsContact C-N 3.29Å
120	E	94.9	Very high	94.1	Very high	32 Å²	32	36.5 Å²	36.5	15%	0.15	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-0.1	173.5	-62.6	-59.2	143.9	0	0	113.9	R38 L40 V115 D116 L117 K118	R38-E120 IonicContact CZ-OE2 2.7Å; R38-E120 IonicContact NH1-OE2 3.65Å; R38-E120 PolarHBondContact NH1-OE2 2.74Å; R38-E120 PolarHBondContact NH2-O 2.72Å; R38-E120 VanDerWaalsContact NH2-O 3.16Å; R38-E120 IonicContact NH2-OE2 3.12Å; R38-E120 PolarHBondContact NH2-OE2 2.89Å; L40-E120 HydrophobicContact CD1-CB 4.3Å; L40-E120 HydrophobicContact CD1-CG 4.48Å; L40-E120 HydrophobicContact CD2-CB 3.99Å; L40-E120 HydrophobicContact CD2-CG 4.2Å; V115-E120 HydrophobicContact CG1-CG 3.86Å; D116-E120 WeakPolarHBondContact O-CG 3.49Å; D116-E120 PolarHBondContact O-N 3.04Å; L117-E120 PolarHBondContact O-N 3.01Å; K118-E120 PolarHBondContact O-N 2.97Å
121	G	91.2	Very high	93.8	Very high	2 Å²	2	37.4 Å²	37.4	2%	0.021	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.7	4.1	174	0	0	0	0	0	115.9	L117 K118 A119	L117-G121 PolarHBondContact O-N 2.86Å; K118-G121 PolarHBondContact O-N 2.67Å; K118-G121 VanDerWaalsContact O-N 3.11Å; A119-G121 VanDerWaalsContact C-N 3.29Å
122	V	91.8	Very high	93.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.198	C	C	.	.			trans	-89.5	106.9	178.2	-160.9	0	0	0	0	109	P35 L117 K118 L126 L127 V226	P35-V122 HydrophobicContact CB-CG2 3.73Å; L117-V122 CarbonylContact C-O 3.39Å; L117-V122 HydrophobicContact CB-CB 4.13Å; L117-V122 HydrophobicContact CB-CG2 4.36Å; L117-V122 HydrophobicContact CD2-CG2 4.44Å; L117-V122 WeakPolarHBondContact O-CA 3.44Å; L117-V122 VanDerWaalsContact O-CB 3.25Å; L117-V122 WeakPolarHBondContact O-CB 3.47Å; L117-V122 WeakPolarHBondContact O-CG2 3.47Å; L117-V122 PolarHBondContact O-N 3.01Å; K118-V122 WeakPolarHBondContact CA-O 3.48Å; V122-L126 HydrophobicContact CG1-CD2 3.54Å; V122-L126 HydrophobicContact CG1-CG 4.33Å; V122-L127 HydrophobicContact CB-CD1 4.41Å; V122-L127 HydrophobicContact CG1-CD1 4.17Å; V122-L127 HydrophobicContact CG1-CD2 3.66Å; V122-L127 HydrophobicContact CG1-CG 3.81Å; V122-V226 HydrophobicContact CG1-CG1 4.34Å; V122-V226 HydrophobicContact CG2-CG2 4.15Å
123	W	91.4	Very high	93.4	Very high	8 Å²	8	34.6 Å²	34.6	3%	0.03	19%	0.185	C	C	.	.			trans	-81.2	157	-171.5	65.9	96.4	0	0	0	113.9	W14 I16 V25 W27 V30 F36 E125 L126 L127	W14-W123 HydrophobicContact CZ3-CZ3 4.2Å; I16-W123 HydrophobicContact CD1-CH2 4.28Å; V25-W123 HydrophobicContact CG1-CB 4.48Å; V25-W123 HydrophobicContact CG2-CB 4.12Å; V25-W123 HydrophobicContact CG2-CG 4.46Å; W27-W123 AromaticContact CH2-CD2 3.82Å; W27-W123 HydrophobicContact CH2-CD2 3.82Å; W27-W123 AromaticContact CH2-CE2 3.59Å; W27-W123 HydrophobicContact CH2-CE3 4.06Å; W27-W123 HydrophobicContact CH2-CG 4.48Å; W27-W123 AromaticContact CH2-CH2 3.93Å; W27-W123 HydrophobicContact CH2-CH2 3.93Å; W27-W123 AromaticContact CH2-CZ2 3.67Å; W27-W123 HydrophobicContact CH2-CZ2 3.67Å; W27-W123 HydrophobicContact CH2-CZ3 4.11Å; W27-W123 HydrophobicContact CZ3-CD2 4.25Å; W27-W123 AromaticContact CZ3-CE3 3.99Å; W27-W123 HydrophobicContact CZ3-CE3 3.99Å; W27-W123 AromaticContact CZ3-CH2 3.83Å; W27-W123 HydrophobicContact CZ3-CH2 3.83Å; W27-W123 HydrophobicContact CZ3-CZ2 4.07Å; W27-W123 AromaticContact CZ3-CZ3 3.78Å; W27-W123 HydrophobicContact CZ3-CZ3 3.78Å; V30-W123 HydrophobicContact CG1-CE3 3.89Å; V30-W123 HydrophobicContact CG1-CZ3 3.81Å; F36-W123 HydrophobicContact CE2-CZ3 4.42Å; F36-W123 HydrophobicContact CZ-CH2 4.48Å; F36-W123 HydrophobicContact CZ-CZ3 4.35Å; W123-E125 PolarHBondContact O-N 3.38Å; W123-L126 HydrophobicContact CD2-CB 3.8Å; W123-L126 HydrophobicContact CD2-CD2 4.04Å; W123-L126 HydrophobicContact CE3-CB 4.46Å; W123-L126 HydrophobicContact CE3-CD2 3.85Å; W123-L126 HydrophobicContact CG-CB 4.1Å; W123-L126 HydrophobicContact CH2-CB 4.39Å; W123-L126 HydrophobicContact CH2-CD2 3.81Å; W123-L126 HydrophobicContact CZ2-CB 3.71Å; W123-L126 HydrophobicContact CZ2-CD1 4.43Å; W123-L126 HydrophobicContact CZ2-CD2 4Å; W123-L126 HydrophobicContact CZ2-CG 4.27Å; W123-L126 HydrophobicContact CZ3-CD2 3.73Å; W123-L126 WeakPolarHBondContact O-CB 3.25Å; W123-L126 PolarHBondContact O-N 2.81Å; W123-L127 PolarHBondContact O-N 3.17Å; W123-L127 VanDerWaalsContact O-N 3.14Å
124	D	92.4	Very high	93.4	Very high	35 Å²	35	33.8 Å²	33.8	19%	0.187	18%	0.181	C	C	.	.	H	α-helix	trans	-57	-46.1	-171	-65.4	-15.1	0	0	0	112.9	K118 L126 L127 D128 R198	K118-D124 WeakPolarHBondContact CD-OD1 3.34Å; K118-D124 IonicContact NZ-OD1 2.67Å; K118-D124 IonicContact NZ-OD2 2.67Å; K118-D124 PolarHBondContact NZ-OD2 2.9Å; D124-L126 VanDerWaalsContact C-N 3.28Å; D124-L126 PolarHBondContact O-N 2.81Å; D124-L127 PolarHBondContact O-N 3.05Å; D124-D128 WeakPolarHBondContact O-CB 3.4Å; D124-D128 VanDerWaalsContact O-CG 3.27Å; D124-D128 PolarHBondContact O-N 3.22Å; D124-R198 VanDerWaalsContact OD1-CD 3.32Å; D124-R198 WeakPolarHBondContact OD1-CD 3.37Å; D124-R198 IonicContact OD1-CZ 3.82Å; D124-R198 IonicContact OD1-NE 2.7Å; D124-R198 PolarHBondContact OD1-NE 3.1Å; D124-R198 IonicContact OD2-NE 3.57Å
125	E	90.5	Very high	93.4	Very high	90 Å²	90	26.9 Å²	26.9	42%	0.421	16%	0.156	S	C	.	.	H	α-helix	trans	-68	-26.8	-177.3	-61.2	85.5	164.5	0	0	113.1	P22 W123 G129	P22-E125 HydrophobicContact CG-CG 4.36Å; W123-E125 PolarHBondContact O-N 3.38Å; E125-G129 PolarHBondContact O-N 3.12Å
126	L	90.3	Very high	93.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.154	C	C	.	.	I	π-helix	trans	-72.7	-45.1	171.5	160.2	76.4	0	0	0	110.7	I16 I19 F36 V122 W123 D124 D128 F130 Q131 P132	I16-L126 HydrophobicContact CD1-CD1 4.27Å; I19-L126 HydrophobicContact CD1-CB 4.23Å; I19-L126 HydrophobicContact CD1-CD1 3.4Å; I19-L126 HydrophobicContact CD1-CG 4.42Å; F36-L126 HydrophobicContact CE1-CD2 4.05Å; F36-L126 HydrophobicContact CZ-CD2 3.61Å; V122-L126 HydrophobicContact CG1-CD2 3.54Å; V122-L126 HydrophobicContact CG1-CG 4.33Å; W123-L126 HydrophobicContact CD2-CB 3.8Å; W123-L126 HydrophobicContact CD2-CD2 4.04Å; W123-L126 HydrophobicContact CE3-CB 4.46Å; W123-L126 HydrophobicContact CE3-CD2 3.85Å; W123-L126 HydrophobicContact CG-CB 4.1Å; W123-L126 HydrophobicContact CH2-CB 4.39Å; W123-L126 HydrophobicContact CH2-CD2 3.81Å; W123-L126 HydrophobicContact CZ2-CB 3.71Å; W123-L126 HydrophobicContact CZ2-CD1 4.43Å; W123-L126 HydrophobicContact CZ2-CD2 4Å; W123-L126 HydrophobicContact CZ2-CG 4.27Å; W123-L126 HydrophobicContact CZ3-CD2 3.73Å; W123-L126 WeakPolarHBondContact O-CB 3.25Å; W123-L126 PolarHBondContact O-N 2.81Å; D124-L126 VanDerWaalsContact C-N 3.28Å; D124-L126 PolarHBondContact O-N 2.81Å; L126-D128 VanDerWaalsContact C-N 3.33Å; L126-F130 HydrophobicContact CD1-CB 4.16Å; L126-F130 HydrophobicContact CD1-CD1 3.88Å; L126-F130 HydrophobicContact CD1-CG 4.32Å; L126-F130 CarbonylContact O-C 3.59Å; L126-F130 PolarHBondContact O-N 2.92Å; L126-F130 VanDerWaalsContact O-N 3.1Å; L126-Q131 PolarHBondContact O-N 3.17Å; L126-P132 HydrophobicContact CD1-CB 4.38Å; L126-P132 HydrophobicContact CD1-CG 4Å; L126-P132 HydrophobicContact CD2-CG 4.37Å; L126-P132 HydrophobicContact CG-CG 3.95Å; L126-P132 WeakPolarHBondContact O-CD 3.48Å
127	L	92.9	Very high	93.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.155	C	C	.	.	I	π-helix	trans	-64.3	-37.5	177.4	-68.7	168.2	0	0	0	112	L117 V122 W123 D124 Q131 P132 V197	L117-L127 HydrophobicContact CB-CD1 3.91Å; L117-L127 HydrophobicContact CD1-CD1 4.11Å; L117-L127 HydrophobicContact CD1-CD2 3.9Å; V122-L127 HydrophobicContact CB-CD1 4.41Å; V122-L127 HydrophobicContact CG1-CD1 4.17Å; V122-L127 HydrophobicContact CG1-CD2 3.66Å; V122-L127 HydrophobicContact CG1-CG 3.81Å; W123-L127 PolarHBondContact O-N 3.17Å; W123-L127 VanDerWaalsContact O-N 3.14Å; D124-L127 PolarHBondContact O-N 3.05Å; L127-Q131 WeakPolarHBondContact O-CG 3.3Å; L127-P132 HydrophobicContact CD2-CG 4.37Å; L127-V197 WeakPolarHBondContact CD1-O 3.45Å
128	D	92.9	Very high	93.5	Very high	48 Å²	48	27.3 Å²	27.3	26%	0.257	16%	0.155	S	C	.	.	I	π-helix	trans	-84.3	-47.8	-176.7	-65.5	-15.4	0	0	0	112.8	D124 L126 Q131 P195 G196 R198	D124-D128 WeakPolarHBondContact O-CB 3.4Å; D124-D128 VanDerWaalsContact O-CG 3.27Å; D124-D128 PolarHBondContact O-N 3.22Å; L126-D128 VanDerWaalsContact C-N 3.33Å; D128-Q131 PolarHBondContact O-NE2 2.89Å; D128-P195 HydrophobicContact CB-CB 3.88Å; D128-G196 WeakPolarHBondContact OD1-CA 3.5Å; D128-G196 PolarHBondContact OD1-N 3.27Å; D128-R198 IonicContact OD1-CZ 2.68Å; D128-R198 IonicContact OD1-NH1 2.97Å; D128-R198 PolarHBondContact OD1-NH1 2.87Å; D128-R198 IonicContact OD1-NH2 3.66Å; D128-R198 PolarHBondContact OD1-NH2 2.7Å; D128-R198 IonicContact OD2-CZ 3.47Å; D128-R198 IonicContact OD2-NH1 3.24Å; D128-R198 IonicContact OD2-NH2 3.96Å; D128-R198 PolarHBondContact OD2-NH2 2.85Å
129	G	89.1	Confident	93.8	Very high	64 Å²	64	25 Å²	25	66%	0.66	14%	0.143	S	C	*	.	I	π-helix	trans	-85	-42.6	-173.1	0	0	0	0	0	114.1	E125	E125-G129 PolarHBondContact O-N 3.12Å
130	F	89.3	Confident	93.9	Very high	27 Å²	27	23 Å²	23	12%	0.118	12%	0.123	C	C	.	.	I	π-helix	trans	-101.6	-28.8	-177.7	-178.8	-93.6	0	0	0	113.3	I16 I19 L126 P132 P228 K230	I16-F130 HydrophobicContact CG2-CD1 4.1Å; I16-F130 HydrophobicContact CG2-CD2 3.88Å; I16-F130 HydrophobicContact CG2-CE1 3.94Å; I16-F130 HydrophobicContact CG2-CE2 3.7Å; I16-F130 HydrophobicContact CG2-CG 4.09Å; I16-F130 HydrophobicContact CG2-CZ 3.73Å; I19-F130 HydrophobicContact CD1-CB 3.34Å; I19-F130 HydrophobicContact CD1-CD1 4.35Å; I19-F130 HydrophobicContact CD1-CD2 4.14Å; I19-F130 HydrophobicContact CD1-CG 3.72Å; I19-F130 HydrophobicContact CG1-CB 3.68Å; I19-F130 HydrophobicContact CG1-CD2 4.14Å; I19-F130 HydrophobicContact CG1-CG 4.14Å; L126-F130 HydrophobicContact CD1-CB 4.16Å; L126-F130 HydrophobicContact CD1-CD1 3.88Å; L126-F130 HydrophobicContact CD1-CG 4.32Å; L126-F130 CarbonylContact O-C 3.59Å; L126-F130 PolarHBondContact O-N 2.92Å; L126-F130 VanDerWaalsContact O-N 3.1Å; F130-P132 HydrophobicContact CD1-CB 4.04Å; F130-P132 HydrophobicContact CE1-CB 4.16Å; F130-P228 WeakPolarHBondContact CZ-O 3.45Å; F130-K230 HydrophobicContact CE1-CG 4.39Å; F130-K230 HydrophobicContact CZ-CG 4.27Å; F130-K230 WeakPolarHBondContact O-CE 3.47Å; F130-K230 PolarHBondContact O-NZ 2.97Å
131	Q	92.8	Very high	94	Very high	27 Å²	27	21.7 Å²	21.7	13%	0.126	12%	0.117	C	C	.	.			trans	51.2	66.1	178.9	-62.2	158.5	37	0	0	111.1	L126 L127 D128 D192 Y193	L126-Q131 PolarHBondContact O-N 3.17Å; L127-Q131 WeakPolarHBondContact O-CG 3.3Å; D128-Q131 PolarHBondContact O-NE2 2.89Å; Q131-D192 VanDerWaalsContact OE1-C 3.3Å; Q131-Y193 VanDerWaalsContact C-OH 3.28Å; Q131-Y193 WeakPolarHBondContact CA-OH 3.25Å; Q131-Y193 HydrophobicContact CB-CD2 4.28Å; Q131-Y193 HydrophobicContact CB-CE1 4.21Å; Q131-Y193 HydrophobicContact CB-CE2 3.8Å; Q131-Y193 HydrophobicContact CG-CD2 4.16Å; Q131-Y193 HydrophobicContact CG-CE2 3.84Å
132	P	92.6	Very high	94.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.118	C	C	.	.			trans	-59	145.1	179.3	26.2	-35.5	0	0	0	111.4	L126 L127 F130 I134 Y193 V226 K227	L126-P132 HydrophobicContact CD1-CB 4.38Å; L126-P132 HydrophobicContact CD1-CG 4Å; L126-P132 HydrophobicContact CD2-CG 4.37Å; L126-P132 HydrophobicContact CG-CG 3.95Å; L126-P132 WeakPolarHBondContact O-CD 3.48Å; L127-P132 HydrophobicContact CD2-CG 4.37Å; F130-P132 HydrophobicContact CD1-CB 4.04Å; F130-P132 HydrophobicContact CE1-CB 4.16Å; P132-I134 PolarHBondContact O-N 2.58Å; P132-Y193 VanDerWaalsContact CD-OH 3.27Å; P132-Y193 WeakPolarHBondContact CD-OH 3.35Å; P132-Y193 VanDerWaalsContact O-CE1 3.25Å; P132-Y193 WeakPolarHBondContact O-CE1 3.5Å; P132-Y193 PolarHBondContact O-OH 2.77Å; P132-V226 HydrophobicContact CB-CG1 3.85Å; P132-V226 HydrophobicContact CG-CG1 3.78Å; P132-K227 WeakPolarHBondContact CB-O 3.48Å
133	D	95.4	Very high	94.3	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	12%	0.118	C	C	.	.			trans	-54	122.8	178	-70.7	-23.9	0	0	0	110.9	V189 F190 S191 K227 S229 K230 S231	D133-V189 HydrophobicContact CB-CG1 3.9Å; D133-F190 WeakPolarHBondContact CA-O 3.44Å; D133-S191 WeakPolarHBondContact OD1-CB 3.12Å; D133-K227 HydrophobicContact CB-CB 4.3Å; D133-K227 PolarHBondContact O-N 2.87Å; D133-S229 PolarHBondContact N-O 3.12Å; D133-S229 PolarHBondContact OD2-OG 3.2Å; D133-S229 VanDerWaalsContact OD2-OG 3.09Å; D133-K230 WeakPolarHBondContact OD1-CA 3.32Å; D133-S231 PolarHBondContact OD1-N 2.76Å; D133-S231 PolarHBondContact OD2-N 3.43Å; D133-S231 PolarHBondContact OD2-OG 2.83Å
134	I	97.3	Very high	94.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	107.4	170.3	-55	177.7	0	0	0	107.4	L117 P132 I136 L156 F190 Y193 V197 V200 V224 L225 V226	L117-I134 HydrophobicContact CD1-CD1 4.16Å; P132-I134 PolarHBondContact O-N 2.58Å; I134-I136 HydrophobicContact CG2-CD1 4.14Å; I134-L156 HydrophobicContact CD1-CD1 4.1Å; I134-L156 HydrophobicContact CD1-CD2 3.72Å; I134-L156 HydrophobicContact CG2-CD2 4.46Å; I134-F190 HydrophobicContact CB-CB 4.31Å; I134-F190 HydrophobicContact CB-CD2 4.46Å; I134-F190 PolarHBondContact N-O 2.71Å; I134-F190 PolarHBondContact O-N 3.13Å; I134-Y193 HydrophobicContact CD1-CE1 4.05Å; I134-Y193 HydrophobicContact CG1-CE1 4.02Å; I134-V197 HydrophobicContact CD1-CG1 4.43Å; I134-V200 HydrophobicContact CD1-CG2 4.34Å; I134-V200 HydrophobicContact CG2-CG2 4.18Å; I134-V224 HydrophobicContact CG2-CG1 4.08Å; I134-L225 WeakPolarHBondContact CA-O 3.48Å; I134-V226 HydrophobicContact CG1-CG2 4.44Å
135	V	97.8	Very high	94.3	Very high	5 Å²	5	24.4 Å²	24.4	3%	0.03	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	125.3	-177.9	-175.9	0	0	0	0	109.6	H188 V189 V224 L225 K227	V135-H188 WeakPolarHBondContact CA-O 3.34Å; V135-V189 HydrophobicContact CG1-CG2 4.25Å; V135-V189 HydrophobicContact CG2-CG1 4.2Å; V135-V189 HydrophobicContact CG2-CG2 4.05Å; V135-V224 WeakPolarHBondContact O-CA 3.31Å; V135-L225 HydrophobicContact CB-CB 4.31Å; V135-L225 PolarHBondContact N-O 3.24Å; V135-L225 PolarHBondContact O-N 2.59Å; V135-K227 HydrophobicContact CG2-CD 3.77Å; V135-K227 HydrophobicContact CG2-CG 4.21Å
136	I	98.1	Very high	94.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	132.5	173.8	-49	-54.1	0	0	0	107.7	I134 L152 V154 S187 H188 F190 V200 F202 T223 V224	I134-I136 HydrophobicContact CG2-CD1 4.14Å; I136-L152 HydrophobicContact CG2-CD2 4.2Å; I136-V154 HydrophobicContact CD1-CG1 3.8Å; I136-V154 HydrophobicContact CG1-CB 4.47Å; I136-V154 HydrophobicContact CG1-CG1 4.16Å; I136-V154 HydrophobicContact CG1-CG2 4.36Å; I136-V154 HydrophobicContact CG2-CG2 3.85Å; I136-S187 WeakPolarHBondContact O-CA 3.1Å; I136-H188 HydrophobicContact CB-CB 4.27Å; I136-H188 PolarHBondContact N-O 3.39Å; I136-H188 PolarHBondContact O-N 2.79Å; I136-F190 HydrophobicContact CD1-CD2 4.42Å; I136-F190 HydrophobicContact CD1-CE2 4.18Å; I136-F190 HydrophobicContact CG1-CD2 4.09Å; I136-F190 HydrophobicContact CG1-CE2 3.79Å; I136-V200 HydrophobicContact CD1-CG1 4.48Å; I136-F202 HydrophobicContact CG2-CD2 4.19Å; I136-F202 HydrophobicContact CG2-CE2 3.81Å; I136-T223 WeakPolarHBondContact CA-O 3.44Å; I136-V224 HydrophobicContact CD1-CG1 4.37Å; I136-V224 HydrophobicContact CD1-CG2 3.91Å
137	K	97.9	Very high	94.6	Very high	71 Å²	71	27.5 Å²	27.5	31%	0.309	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	148.3	165.1	-75.6	170.8	166	-88.6	0	109.5	E185 V186 T223	K137-E185 IonicContact NZ-OE1 3.4Å; K137-E185 PolarHBondContact NZ-OE1 2.94Å; K137-V186 CarbonylContact C-O 3.44Å; K137-V186 VanDerWaalsContact CA-O 3.29Å; K137-V186 WeakPolarHBondContact CA-O 3.29Å; K137-T223 PolarHBondContact N-O 3.44Å; K137-T223 PolarHBondContact O-N 3.17Å
138	D	98.3	Very high	94.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	157.6	170.5	-153.7	10.3	0	0	0	110.2	Y150 V186 F202 H204 S222	D138-Y150 WeakPolarHBondContact CB-OH 3.46Å; D138-Y150 PolarHBondContact OD2-OH 2.7Å; D138-V186 PolarHBondContact N-O 2.89Å; D138-V186 PolarHBondContact O-N 3.17Å; D138-F202 HydrophobicContact CB-CZ 4.17Å; D138-F202 WeakPolarHBondContact OD2-CZ 3.46Å; D138-H204 IonicContact OD1-ND1 3.69Å; D138-H204 IonicContact OD2-CE1 3.55Å; D138-H204 IonicContact OD2-CG 3.76Å; D138-H204 IonicContact OD2-ND1 3.58Å; D138-H204 PolarHBondContact OD2-ND1 3.23Å; D138-S222 VanDerWaalsContact OD1-CA 3.28Å; D138-S222 WeakPolarHBondContact OD1-CA 3.41Å; D138-S222 VanDerWaalsContact OD1-CB 3.27Å; D138-S222 WeakPolarHBondContact OD1-CB 3.38Å; D138-S222 PolarHBondContact OD1-OG 2.97Å
139	W	98.1	Very high	94.8	Very high	60 Å²	60	26.2 Å²	26.2	23%	0.227	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	132.5	174.7	-61.8	78.4	0	0	0	110.4	Q51 W183 K184 E185 V219 T220	Q51-W139 HydrophobicContact CB-CB 4.18Å; Q51-W139 HydrophobicContact CB-CD2 3.78Å; Q51-W139 HydrophobicContact CB-CE3 4.21Å; Q51-W139 HydrophobicContact CB-CG 3.78Å; Q51-W139 HydrophobicContact CG-CD2 4.08Å; Q51-W139 HydrophobicContact CG-CG 4.17Å; Q51-W139 HydrophobicContact CG-CZ2 4.3Å; W139-W183 HydrophobicContact CB-CE3 4.32Å; W139-W183 HydrophobicContact CE3-CB 3.65Å; W139-W183 HydrophobicContact CZ3-CB 4.21Å; W139-K184 WeakPolarHBondContact CA-O 3.19Å; W139-E185 HydrophobicContact CD2-CB 3.94Å; W139-E185 HydrophobicContact CD2-CG 4.21Å; W139-E185 HydrophobicContact CE3-CB 3.79Å; W139-E185 HydrophobicContact CH2-CB 3.69Å; W139-E185 HydrophobicContact CH2-CG 4.21Å; W139-E185 HydrophobicContact CZ2-CB 3.77Å; W139-E185 HydrophobicContact CZ2-CG 3.77Å; W139-E185 HydrophobicContact CZ3-CB 3.69Å; W139-V219 CarbonylContact O-C 3.59Å; W139-V219 VanDerWaalsContact O-CA 3.23Å; W139-V219 WeakPolarHBondContact O-CA 3.42Å; W139-T220 HydrophobicContact CB-CG2 4.41Å; W139-T220 WeakPolarHBondContact CB-O 3.44Å; W139-T220 PolarHBondContact N-O 2.99Å; W139-T220 PolarHBondContact O-N 3.4Å
140	Y	97.4	Very high	95.3	Very high	13 Å²	13	23.2 Å²	23.2	5%	0.051	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	152.8	174.2	67.5	-80.6	0	0	0	111	I149 Y150 P172 E174 W183 K184 V186 L218	Y140-I149 HydrophobicContact CD2-CD1 4.37Å; Y140-I149 HydrophobicContact CE2-CD1 4.35Å; Y140-I149 HydrophobicContact CE2-CG1 4.44Å; Y140-Y150 AromaticContact CD1-CD1 3.6Å; Y140-Y150 HydrophobicContact CD1-CD1 3.6Å; Y140-Y150 AromaticContact CD1-CD2 3.98Å; Y140-Y150 HydrophobicContact CD1-CD2 3.98Å; Y140-Y150 AromaticContact CD1-CE1 3.8Å; Y140-Y150 HydrophobicContact CD1-CE1 3.8Å; Y140-Y150 HydrophobicContact CD1-CE2 4.14Å; Y140-Y150 AromaticContact CD1-CG 3.66Å; Y140-Y150 HydrophobicContact CD1-CG 3.66Å; Y140-Y150 HydrophobicContact CD2-CD2 4.4Å; Y140-Y150 AromaticContact CD2-CG 3.95Å; Y140-Y150 HydrophobicContact CD2-CG 3.95Å; Y140-Y150 AromaticContact CE1-CD1 3.75Å; Y140-Y150 HydrophobicContact CE1-CD1 3.75Å; Y140-Y150 HydrophobicContact CE1-CE1 4.1Å; Y140-Y150 HydrophobicContact CE1-CG 4.14Å; Y140-Y150 HydrophobicContact CE2-CG 4.38Å; Y140-Y150 HydrophobicContact CG-CD1 4.02Å; Y140-Y150 AromaticContact CG-CD2 3.73Å; Y140-Y150 HydrophobicContact CG-CD2 3.73Å; Y140-Y150 HydrophobicContact CG-CE2 4.22Å; Y140-Y150 AromaticContact CG-CG 3.57Å; Y140-Y150 HydrophobicContact CG-CG 3.57Å; Y140-P172 HydrophobicContact CE1-CG 4.4Å; Y140-P172 HydrophobicContact CE2-CG 4.44Å; Y140-P172 WeakPolarHBondContact OH-CG 3.43Å; Y140-E174 WeakPolarHBondContact CE2-OE1 3.49Å; Y140-E174 PolarHBondContact OH-OE1 3.12Å; Y140-W183 WeakPolarHBondContact O-CA 3.37Å; Y140-K184 HydrophobicContact CD1-CB 4.12Å; Y140-K184 WeakPolarHBondContact CD1-O 3.45Å; Y140-K184 HydrophobicContact CD2-CB 4.46Å; Y140-K184 HydrophobicContact CE1-CB 3.57Å; Y140-K184 HydrophobicContact CE2-CB 3.97Å; Y140-K184 HydrophobicContact CE2-CD 3.77Å; Y140-K184 HydrophobicContact CE2-CG 4.42Å; Y140-K184 VanDerWaalsContact CZ-CB 3.48Å; Y140-K184 PolarHBondContact N-O 2.79Å; Y140-K184 PolarHBondContact O-N 2.7Å; Y140-K184 VanDerWaalsContact OH-CD 3.31Å; Y140-K184 WeakPolarHBondContact OH-CD 3.44Å; Y140-V186 HydrophobicContact CD1-CG2 4.02Å; Y140-V186 HydrophobicContact CE1-CG2 3.61Å; Y140-L218 WeakPolarHBondContact CA-O 3.27Å
141	E	96.7	Very high	95.7	Very high	5 Å²	5	24.3 Å²	24.3	2%	0.023	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	130.6	174.8	178.2	-158.7	154.8	0	0	110.4	P55 R58 S143 I149 W183 T217 L218	P55-E141 HydrophobicContact CB-CG 4.16Å; P55-E141 HydrophobicContact CG-CG 4.43Å; R58-E141 IonicContact CZ-OE1 2.65Å; R58-E141 IonicContact NE-OE1 3.68Å; R58-E141 IonicContact NH2-OE1 2.59Å; R58-E141 PolarHBondContact NH2-OE1 3.22Å; E141-S143 PolarHBondContact O-N 3.44Å; E141-S143 VanDerWaalsContact O-N 3.07Å; E141-S143 WeakPolarHBondContact OE1-CA 3.27Å; E141-S143 WeakPolarHBondContact OE1-CB 3.35Å; E141-I149 VanDerWaalsContact O-CD1 3.3Å; E141-I149 WeakPolarHBondContact O-CD1 3.36Å; E141-W183 HydrophobicContact CB-CE3 4.46Å; E141-W183 HydrophobicContact CB-CZ3 4.07Å; E141-T217 HydrophobicContact CB-CG2 4.29Å; E141-T217 WeakPolarHBondContact O-CG2 3.13Å; E141-L218 HydrophobicContact CB-CB 4.24Å; E141-L218 PolarHBondContact N-O 3.44Å; E141-L218 WeakPolarHBondContact OE2-CB 3.39Å; E141-L218 WeakPolarHBondContact OE2-CG 3.3Å; E141-L218 PolarHBondContact OE2-N 3.29Å
142	E	95	Very high	96	Very high	5 Å²	5	23.1 Å²	23.1	2%	0.023	11%	0.107	C	C	.	.			trans	-69.4	98.7	157.5	173.6	44.3	-112.8	0	0	109.2	Q144 E174 Y179 S180 N182 K184	E142-Q144 WeakPolarHBondContact OE1-CA 3.43Å; E142-Q144 PolarHBondContact OE1-N 2.89Å; E142-E174 VanDerWaalsContact OE2-CD 3.31Å; E142-E174 WeakPolarHBondContact OE2-CG 3.38Å; E142-Y179 HydrophobicContact CG-CD2 4.19Å; E142-Y179 VanDerWaalsContact O-CE2 3.3Å; E142-Y179 WeakPolarHBondContact O-CE2 3.28Å; E142-S180 WeakPolarHBondContact CG-OG 3.4Å; E142-N182 PolarHBondContact N-O 2.89Å; E142-K184 HydrophobicContact CB-CD 4.25Å; E142-K184 IonicContact OE2-NZ 3.81Å; E142-K184 PolarHBondContact OE2-NZ 2.81Å
143	S	93.1	Very high	96.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	12%	0.123	C	C	.	.			trans	-98.3	-8.6	-168.4	73.9	0	0	0	0	114.6	R58 E141 L145 I149 T217	R58-S143 VanDerWaalsContact CZ-O 3.3Å; R58-S143 PolarHBondContact NH1-O 2.83Å; R58-S143 VanDerWaalsContact NH2-CB 3.25Å; R58-S143 PolarHBondContact NH2-O 2.77Å; E141-S143 PolarHBondContact O-N 3.44Å; E141-S143 VanDerWaalsContact O-N 3.07Å; E141-S143 WeakPolarHBondContact OE1-CA 3.27Å; E141-S143 WeakPolarHBondContact OE1-CB 3.35Å; S143-L145 PolarHBondContact O-N 2.69Å; S143-L145 WeakPolarHBondContact OG-CG 3.42Å; S143-I149 WeakPolarHBondContact OG-CD1 3.42Å; S143-I149 WeakPolarHBondContact OG-CG2 3.33Å; S143-T217 WeakPolarHBondContact CB-OG1 3.21Å; S143-T217 PolarHBondContact OG-OG1 3.43Å
144	Q	92.4	Very high	96.4	Very high	86 Å²	86	27.4 Å²	27.4	40%	0.402	12%	0.123	S	C	.	.			trans	54.7	10.4	-173.1	-143.7	-171.8	13.9	0	0	115.2	E142 H146 L176 Y179	E142-Q144 WeakPolarHBondContact OE1-CA 3.43Å; E142-Q144 PolarHBondContact OE1-N 2.89Å; Q144-H146 VanDerWaalsContact C-N 3.32Å; Q144-H146 PolarHBondContact O-N 2.95Å; Q144-L176 HydrophobicContact CG-CD2 4Å; Q144-L176 PolarHBondContact NE2-O 2.94Å; Q144-L176 WeakPolarHBondContact O-CD2 3.37Å; Q144-Y179 HydrophobicContact CB-CD2 3.55Å; Q144-Y179 HydrophobicContact CB-CE2 3.81Å; Q144-Y179 HydrophobicContact CB-CG 4.24Å; Q144-Y179 HydrophobicContact CG-CD2 3.97Å; Q144-Y179 HydrophobicContact CG-CG 4.24Å
145	L	92	Very high	96.5	Very high	11 Å²	11	30.8 Å²	30.8	6%	0.058	14%	0.136	C	C	.	.	S	Bend	trans	-72.7	-27.9	-173.2	-64.1	-176.1	0	0	0	112.5	Y106 S143 I149 K209 F215	Y106-L145 VanDerWaalsContact CE1-O 3.3Å; Y106-L145 WeakPolarHBondContact CE1-O 3.41Å; Y106-L145 PolarHBondContact OH-O 2.91Å; S143-L145 PolarHBondContact O-N 2.69Å; S143-L145 WeakPolarHBondContact OG-CG 3.42Å; L145-I149 HydrophobicContact CB-CG2 4.16Å; L145-K209 HydrophobicContact CB-CB 4.48Å; L145-K209 HydrophobicContact CD1-CB 4.22Å; L145-K209 HydrophobicContact CD2-CB 4.23Å; L145-K209 HydrophobicContact CD2-CD 4.08Å; L145-F215 HydrophobicContact CD1-CB 4.04Å; L145-F215 VanDerWaalsContact CD1-O 3.3Å; L145-F215 WeakPolarHBondContact CD1-O 3.4Å; L145-F215 HydrophobicContact CD2-CB 3.78Å; L145-F215 HydrophobicContact CD2-CG 4.49Å
146	H	93.1	Very high	96.5	Very high	44 Å²	44	30.6 Å²	30.6	20%	0.204	14%	0.135	C	C	.	.			trans	-161.5	163	-179	-163	-87.2	0	0	0	109.8	Q144 S148 I149 K207	Q144-H146 VanDerWaalsContact C-N 3.32Å; Q144-H146 PolarHBondContact O-N 2.95Å; H146-S148 PolarHBondContact ND1-N 2.69Å; H146-S148 VanDerWaalsContact ND1-N 3.13Å; H146-S148 PolarHBondContact O-N 2.86Å; H146-I149 HydrophobicContact CB-CG2 3.97Å; H146-I149 WeakPolarHBondContact O-CG2 3.36Å; H146-K207 HydrophobicContact CB-CD 3.84Å; H146-K207 PolarHBondContact CD2-NZ 3.13Å; H146-K207 PolarHBondContact CE1-NZ 3.17Å; H146-K207 VanDerWaalsContact CG-NZ 3.3Å; H146-K207 PolarHBondContact ND1-NZ 3.06Å; H146-K207 PolarHBondContact NE2-NZ 3.47Å
147	E	93.8	Very high	96.5	Very high	110 Å²	110	30.9 Å²	30.9	51%	0.514	14%	0.136	S	C	.	.	S	Bend	trans	-64.9	-1.7	167.7	58.5	165.9	-150.7	0	0	113.9	T173 E174	E147-T173 HydrophobicContact CB-CG2 4.23Å; E147-T173 CarbonylContact O-C 3.56Å; E147-T173 WeakPolarHBondContact O-CA 3.49Å; E147-T173 VanDerWaalsContact O-CG2 3.31Å; E147-T173 WeakPolarHBondContact O-CG2 3.38Å; E147-E174 PolarHBondContact O-N 2.9Å
148	S	94.9	Very high	96.5	Very high	22 Å²	22	27.7 Å²	27.7	15%	0.154	12%	0.124	C	C	.	.			trans	-155.3	91.2	-178.3	-174.7	0	0	0	0	107.8	W108 H146 K207	W108-S148 WeakPolarHBondContact CH2-O 3.16Å; H146-S148 PolarHBondContact ND1-N 2.69Å; H146-S148 VanDerWaalsContact ND1-N 3.13Å; H146-S148 PolarHBondContact O-N 2.86Å; S148-K207 WeakPolarHBondContact O-CD 3.45Å
149	I	96.5	Very high	96.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.153	C	C	.	.			trans	-103.7	-14.8	-171.8	52.5	175.4	0	0	0	113.4	Y140 E141 S143 L145 H146 E174 L206 K207 T217	Y140-I149 HydrophobicContact CD2-CD1 4.37Å; Y140-I149 HydrophobicContact CE2-CD1 4.35Å; Y140-I149 HydrophobicContact CE2-CG1 4.44Å; E141-I149 VanDerWaalsContact O-CD1 3.3Å; E141-I149 WeakPolarHBondContact O-CD1 3.36Å; S143-I149 WeakPolarHBondContact OG-CD1 3.42Å; S143-I149 WeakPolarHBondContact OG-CG2 3.33Å; L145-I149 HydrophobicContact CB-CG2 4.16Å; H146-I149 HydrophobicContact CB-CG2 3.97Å; H146-I149 WeakPolarHBondContact O-CG2 3.36Å; I149-E174 HydrophobicContact CD1-CG 3.99Å; I149-E174 HydrophobicContact CG1-CG 3.88Å; I149-L206 CarbonylContact O-C 3.55Å; I149-L206 WeakPolarHBondContact O-CA 3.34Å; I149-K207 PolarHBondContact O-N 3.29Å; I149-T217 HydrophobicContact CB-CG2 4.26Å; I149-T217 HydrophobicContact CD1-CG2 4.31Å
150	Y	97.9	Very high	96.1	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	141.8	-172.2	178	-102.6	0	0	0	111.7	D138 Y140 L152 P172 V186 H204 R205 L206 V219	D138-Y150 WeakPolarHBondContact CB-OH 3.46Å; D138-Y150 PolarHBondContact OD2-OH 2.7Å; Y140-Y150 AromaticContact CD1-CD1 3.6Å; Y140-Y150 HydrophobicContact CD1-CD1 3.6Å; Y140-Y150 AromaticContact CD1-CD2 3.98Å; Y140-Y150 HydrophobicContact CD1-CD2 3.98Å; Y140-Y150 AromaticContact CD1-CE1 3.8Å; Y140-Y150 HydrophobicContact CD1-CE1 3.8Å; Y140-Y150 HydrophobicContact CD1-CE2 4.14Å; Y140-Y150 AromaticContact CD1-CG 3.66Å; Y140-Y150 HydrophobicContact CD1-CG 3.66Å; Y140-Y150 HydrophobicContact CD2-CD2 4.4Å; Y140-Y150 AromaticContact CD2-CG 3.95Å; Y140-Y150 HydrophobicContact CD2-CG 3.95Å; Y140-Y150 AromaticContact CE1-CD1 3.75Å; Y140-Y150 HydrophobicContact CE1-CD1 3.75Å; Y140-Y150 HydrophobicContact CE1-CE1 4.1Å; Y140-Y150 HydrophobicContact CE1-CG 4.14Å; Y140-Y150 HydrophobicContact CE2-CG 4.38Å; Y140-Y150 HydrophobicContact CG-CD1 4.02Å; Y140-Y150 AromaticContact CG-CD2 3.73Å; Y140-Y150 HydrophobicContact CG-CD2 3.73Å; Y140-Y150 HydrophobicContact CG-CE2 4.22Å; Y140-Y150 AromaticContact CG-CG 3.57Å; Y140-Y150 HydrophobicContact CG-CG 3.57Å; Y150-L152 HydrophobicContact CE1-CB 3.74Å; Y150-L152 WeakPolarHBondContact OH-CB 3.44Å; Y150-P172 HydrophobicContact CD1-CG 4.13Å; Y150-V186 HydrophobicContact CD1-CG2 4.49Å; Y150-V186 HydrophobicContact CE1-CG2 3.77Å; Y150-H204 HydrophobicContact CE2-CB 3.97Å; Y150-R205 CarbonylContact C-O 3.56Å; Y150-R205 WeakPolarHBondContact CA-O 3.43Å; Y150-L206 HydrophobicContact CD2-CD2 3.98Å; Y150-V219 HydrophobicContact CE2-CG1 4.21Å
151	Q	98.3	Very high	95.8	Very high	51 Å²	51	33.9 Å²	33.9	24%	0.238	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	130.5	168.3	-56.1	-176.8	-21.4	0	0	109.1	W108 M170 H204 R205	W108-Q151 HydrophobicContact CH2-CG 3.76Å; W108-Q151 HydrophobicContact CZ2-CG 4.26Å; W108-Q151 HydrophobicContact CZ3-CG 4.07Å; Q151-M170 CarbonylContact C-O 3.47Å; Q151-M170 WeakPolarHBondContact CA-O 3.46Å; Q151-H204 CarbonylContact O-C 3.57Å; Q151-H204 WeakPolarHBondContact O-CA 3.3Å; Q151-R205 HydrophobicContact CB-CB 4.15Å; Q151-R205 HydrophobicContact CB-CG 4.34Å; Q151-R205 PolarHBondContact N-O 3.09Å; Q151-R205 PolarHBondContact O-N 2.92Å
152	L	98.6	Very high	95.7	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	134.8	170.9	-177.9	63.5	0	0	0	109.7	I136 Y150 V154 Y168 I169 M170 V186 F202 H204	I136-L152 HydrophobicContact CG2-CD2 4.2Å; Y150-L152 HydrophobicContact CE1-CB 3.74Å; Y150-L152 WeakPolarHBondContact OH-CB 3.44Å; L152-V154 HydrophobicContact CD1-CG2 3.93Å; L152-V154 HydrophobicContact CD2-CG2 4.42Å; L152-V154 HydrophobicContact CG-CG2 4.08Å; L152-Y168 HydrophobicContact CD2-CD1 4.47Å; L152-Y168 HydrophobicContact CD2-CE1 4.12Å; L152-I169 WeakPolarHBondContact O-CA 3.28Å; L152-M170 HydrophobicContact CB-CB 4.32Å; L152-M170 PolarHBondContact N-O 3.09Å; L152-M170 PolarHBondContact O-N 2.79Å; L152-V186 HydrophobicContact CD2-CB 4.43Å; L152-V186 HydrophobicContact CD2-CG1 3.74Å; L152-F202 HydrophobicContact CD1-CD2 4.43Å; L152-F202 HydrophobicContact CD1-CE1 4.04Å; L152-F202 HydrophobicContact CD1-CE2 3.87Å; L152-F202 HydrophobicContact CD1-CZ 3.65Å; L152-H204 HydrophobicContact CD1-CB 4Å
153	R	98.6	Very high	95.8	Very high	91 Å²	91	44.7 Å²	44.7	34%	0.343	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	111.4	172.9	-175.3	170.6	-162.1	163.5	13.5	109.4	R155 E167 Y168 I169 L203	R153-R155 VanDerWaalsContact CZ-NH2 3.27Å; R153-R155 VanDerWaalsContact NH2-NH2 3.12Å; R153-E167 IonicContact CZ-OE1 3.65Å; R153-E167 IonicContact CZ-OE2 3.34Å; R153-E167 IonicContact NE-OE1 3.17Å; R153-E167 PolarHBondContact NE-OE1 2.8Å; R153-E167 IonicContact NE-OE2 2.73Å; R153-E167 IonicContact NH2-OE1 2.69Å; R153-E167 PolarHBondContact NH2-OE1 3.02Å; R153-E167 IonicContact NH2-OE2 2.74Å; R153-E167 PolarHBondContact NH2-OE2 2.73Å; R153-Y168 WeakPolarHBondContact CA-O 3.42Å; R153-I169 HydrophobicContact CB-CG1 4.48Å; R153-I169 HydrophobicContact CG-CG1 4Å; R153-L203 HydrophobicContact CB-CD2 4.43Å; R153-L203 PolarHBondContact N-O 3.07Å; R153-L203 PolarHBondContact O-N 2.76Å
154	V	98.7	Very high	96	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	132.4	174.1	-173.6	0	0	0	0	110	I136 L152 E167 Y168 F190 V200 H201 F202	I136-V154 HydrophobicContact CD1-CG1 3.8Å; I136-V154 HydrophobicContact CG1-CB 4.47Å; I136-V154 HydrophobicContact CG1-CG1 4.16Å; I136-V154 HydrophobicContact CG1-CG2 4.36Å; I136-V154 HydrophobicContact CG2-CG2 3.85Å; L152-V154 HydrophobicContact CD1-CG2 3.93Å; L152-V154 HydrophobicContact CD2-CG2 4.42Å; L152-V154 HydrophobicContact CG-CG2 4.08Å; V154-E167 WeakPolarHBondContact O-CA 3.46Å; V154-Y168 PolarHBondContact N-O 3.09Å; V154-Y168 PolarHBondContact O-N 2.9Å; V154-F190 HydrophobicContact CB-CE2 4.16Å; V154-F190 HydrophobicContact CB-CZ 4.23Å; V154-F190 HydrophobicContact CG1-CE2 3.76Å; V154-F190 HydrophobicContact CG1-CZ 4.16Å; V154-V200 HydrophobicContact CG1-CG1 3.66Å; V154-H201 WeakPolarHBondContact CA-O 3.46Å; V154-F202 HydrophobicContact CG2-CD2 3.73Å; V154-F202 HydrophobicContact CG2-CE2 4.24Å; V154-F202 HydrophobicContact CG2-CG 4.32Å
155	R	98.6	Very high	96.3	Very high	71 Å²	71	46.1 Å²	46.1	27%	0.268	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	142.1	174.5	-64.1	170.5	169.1	173.9	-8.1	111	R153 L157 V164 S166 E167 V200 H201	R153-R155 VanDerWaalsContact CZ-NH2 3.27Å; R153-R155 VanDerWaalsContact NH2-NH2 3.12Å; R155-L157 HydrophobicContact CB-CD2 3.72Å; R155-L157 HydrophobicContact CB-CG 4.14Å; R155-L157 HydrophobicContact CG-CD2 4.48Å; R155-V164 HydrophobicContact CB-CG1 4.39Å; R155-V164 HydrophobicContact CG-CG1 4.19Å; R155-V164 HydrophobicContact CG-CG2 4.49Å; R155-S166 WeakPolarHBondContact CA-O 3.39Å; R155-E167 HydrophobicContact CG-CB 4.4Å; R155-E167 HydrophobicContact CG-CG 4.26Å; R155-E167 VanDerWaalsContact CG-OE1 3.3Å; R155-E167 WeakPolarHBondContact CG-OE1 3.37Å; R155-E167 IonicContact CZ-OE1 2.74Å; R155-E167 IonicContact NE-OE1 3.6Å; R155-E167 PolarHBondContact NE-OE1 2.96Å; R155-E167 IonicContact NH2-OE1 3.65Å; R155-V200 WeakPolarHBondContact O-CA 3.47Å; R155-H201 HydrophobicContact CB-CB 4.32Å; R155-H201 PolarHBondContact N-O 2.74Å; R155-H201 PolarHBondContact O-N 2.83Å
156	L	98.5	Very high	96.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	121.4	159.6	-56.5	-170.7	0	0	0	107.9	I134 I165 S166 F190 Y193 V197 V200	I134-L156 HydrophobicContact CD1-CD1 4.1Å; I134-L156 HydrophobicContact CD1-CD2 3.72Å; I134-L156 HydrophobicContact CG2-CD2 4.46Å; L156-I165 PolarHBondContact O-N 2.9Å; L156-S166 PolarHBondContact N-O 2.81Å; L156-S166 PolarHBondContact O-N 3.38Å; L156-F190 HydrophobicContact CD1-CB 3.71Å; L156-F190 HydrophobicContact CD1-CD1 3.87Å; L156-F190 HydrophobicContact CD1-CD2 4.2Å; L156-F190 HydrophobicContact CD1-CG 3.69Å; L156-F190 HydrophobicContact CD2-CD2 4.04Å; L156-F190 HydrophobicContact CD2-CE2 4.2Å; L156-F190 HydrophobicContact CD2-CG 4.37Å; L156-F190 HydrophobicContact CG-CD1 4.08Å; L156-F190 HydrophobicContact CG-CD2 4.14Å; L156-F190 HydrophobicContact CG-CE1 4.24Å; L156-F190 HydrophobicContact CG-CE2 4.3Å; L156-F190 HydrophobicContact CG-CG 4.03Å; L156-F190 HydrophobicContact CG-CZ 4.34Å; L156-Y193 HydrophobicContact CD1-CD1 3.77Å; L156-Y193 HydrophobicContact CD1-CD2 4.06Å; L156-Y193 HydrophobicContact CD1-CE1 4.36Å; L156-Y193 HydrophobicContact CD1-CG 3.57Å; L156-V197 HydrophobicContact CB-CG1 3.9Å; L156-V197 HydrophobicContact CB-CG2 3.84Å; L156-V197 HydrophobicContact CD1-CG1 4.4Å; L156-V197 HydrophobicContact CD1-CG2 4.16Å; L156-V197 HydrophobicContact CD2-CG1 4.36Å; L156-V197 HydrophobicContact CG-CG1 4.46Å; L156-V200 HydrophobicContact CD2-CG1 4.4Å; L156-V200 HydrophobicContact CD2-CG2 3.87Å
157	L	98.4	Very high	96.8	Very high	6 Å²	6	48.8 Å²	48.8	3%	0.031	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	147	-172.8	-56.8	178.7	0	0	0	112	R155 T163 V164 R198 Y199 H201	R155-L157 HydrophobicContact CB-CD2 3.72Å; R155-L157 HydrophobicContact CB-CG 4.14Å; R155-L157 HydrophobicContact CG-CD2 4.48Å; L157-T163 CarbonylContact C-O 3.55Å; L157-T163 VanDerWaalsContact CA-O 3.3Å; L157-T163 WeakPolarHBondContact CA-O 3.23Å; L157-V164 HydrophobicContact CD2-CB 4.45Å; L157-V164 HydrophobicContact CD2-CG2 3.91Å; L157-R198 PolarHBondContact O-N 2.97Å; L157-Y199 HydrophobicContact CB-CD2 4.46Å; L157-Y199 PolarHBondContact N-O 2.87Å; L157-Y199 PolarHBondContact O-N 3.41Å; L157-H201 HydrophobicContact CD1-CB 3.67Å; L157-H201 HydrophobicContact CG-CB 4.25Å
158	G	97.1	Very high	97	Very high	5 Å²	5	45.2 Å²	45.2	5%	0.052	24%	0.235	C	C	.	.			trans	-71.4	-179.4	176	0	0	0	0	0	114.5	D160 G161 T163 G196 Y199	G158-D160 PolarHBondContact O-N 3.08Å; G158-D160 VanDerWaalsContact O-N 3.15Å; G158-G161 PolarHBondContact O-N 3.47Å; G158-T163 PolarHBondContact N-O 2.99Å; G158-G196 WeakPolarHBondContact CA-O 3.34Å; G158-Y199 VanDerWaalsContact O-CD2 3.29Å; G158-Y199 WeakPolarHBondContact O-CD2 3.33Å; G158-Y199 WeakPolarHBondContact O-CE2 3.42Å
159	T	94.5	Very high	97.1	Very high	101 Å²	101	48.4 Å²	48.4	62%	0.62	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-28	-178.6	-51.2	0	0	0	0	114.4	G161	T159-G161 PolarHBondContact O-N 2.62Å
160	D	93.7	Very high	97.1	Very high	90 Å²	90	51.6 Å²	51.6	48%	0.481	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-11.6	175.4	65.1	-5.7	0	0	0	113.8	G158 Q162 T163	G158-D160 PolarHBondContact O-N 3.08Å; G158-D160 VanDerWaalsContact O-N 3.15Å; D160-Q162 PolarHBondContact O-N 3.45Å; D160-Q162 PolarHBondContact OD1-N 3.25Å; D160-T163 WeakPolarHBondContact OD1-CB 3.26Å; D160-T163 PolarHBondContact OD1-N 3.26Å; D160-T163 WeakPolarHBondContact OD2-CB 3.27Å; D160-T163 PolarHBondContact OD2-N 2.68Å; D160-T163 PolarHBondContact OD2-OG1 3.24Å
161	G	92.4	Very high	97	Very high	11 Å²	11	54.2 Å²	54.2	11%	0.113	28%	0.283	C	S	.	.	S	Bend	trans	67.4	18.9	-174.4	0	0	0	0	0	114.1	G158 T159	G158-G161 PolarHBondContact O-N 3.47Å; T159-G161 PolarHBondContact O-N 2.62Å
162	Q	93.9	Very high	96.9	Very high	158 Å²	158	52.9 Å²	52.9	74%	0.738	28%	0.279	S	S	*	.			trans	-136.3	-39.4	-179	-62.7	-169.5	22.7	0	0	113.4	D160 V164	D160-Q162 PolarHBondContact O-N 3.45Å; D160-Q162 PolarHBondContact OD1-N 3.25Å; Q162-V164 PolarHBondContact O-N 3.16Å
163	T	97.1	Very high	96.7	Very high	79 Å²	79	57.9 Å²	57.9	49%	0.485	31%	0.309	S	S	.	.			trans	-63.4	117.9	178.6	-69.8	0	0	0	0	109.8	L157 G158 D160	L157-T163 CarbonylContact C-O 3.55Å; L157-T163 VanDerWaalsContact CA-O 3.3Å; L157-T163 WeakPolarHBondContact CA-O 3.23Å; G158-T163 PolarHBondContact N-O 2.99Å; D160-T163 WeakPolarHBondContact OD1-CB 3.26Å; D160-T163 PolarHBondContact OD1-N 3.26Å; D160-T163 WeakPolarHBondContact OD2-CB 3.27Å; D160-T163 PolarHBondContact OD2-N 2.68Å; D160-T163 PolarHBondContact OD2-OG1 3.24Å
164	V	97.9	Very high	96.4	Very high	63 Å²	63	54.3 Å²	54.3	38%	0.382	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	119.1	178.3	-173.9	0	0	0	0	109.4	R155 L157 Q162 E167	R155-V164 HydrophobicContact CB-CG1 4.39Å; R155-V164 HydrophobicContact CG-CG1 4.19Å; R155-V164 HydrophobicContact CG-CG2 4.49Å; L157-V164 HydrophobicContact CD2-CB 4.45Å; L157-V164 HydrophobicContact CD2-CG2 3.91Å; Q162-V164 PolarHBondContact O-N 3.16Å; V164-E167 HydrophobicContact CG1-CB 3.97Å
165	I	97.4	Very high	96	Very high	54 Å²	54	60.7 Å²	60.7	28%	0.277	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-41.2	177.9	-60.8	-177.1	0	0	0	110.3	L156 Y193 G196 V197	L156-I165 PolarHBondContact O-N 2.9Å; I165-Y193 VanDerWaalsContact CG2-O 3.3Å; I165-Y193 WeakPolarHBondContact CG2-O 3.41Å; I165-G196 WeakPolarHBondContact CD1-O 3.3Å; I165-V197 HydrophobicContact CB-CG2 4.09Å; I165-V197 HydrophobicContact CD1-CG2 3.87Å; I165-V197 HydrophobicContact CG2-CG2 3.89Å
166	S	97.6	Very high	95.6	Very high	36 Å²	36	61 Å²	61	25%	0.252	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	149.7	172.5	-163.8	0	0	0	0	110	R155 L156 F190	R155-S166 WeakPolarHBondContact CA-O 3.39Å; L156-S166 PolarHBondContact N-O 2.81Å; L156-S166 PolarHBondContact O-N 3.38Å; S166-F190 WeakPolarHBondContact OG-CD1 3.47Å
167	E	98.1	Very high	95.2	Very high	74 Å²	74	66.1 Å²	66.1	35%	0.346	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	135.9	-179.1	175.7	159.1	-96.3	0	0	110.2	R153 V154 R155 V164 I169	R153-E167 IonicContact CZ-OE1 3.65Å; R153-E167 IonicContact CZ-OE2 3.34Å; R153-E167 IonicContact NE-OE1 3.17Å; R153-E167 PolarHBondContact NE-OE1 2.8Å; R153-E167 IonicContact NE-OE2 2.73Å; R153-E167 IonicContact NH2-OE1 2.69Å; R153-E167 PolarHBondContact NH2-OE1 3.02Å; R153-E167 IonicContact NH2-OE2 2.74Å; R153-E167 PolarHBondContact NH2-OE2 2.73Å; V154-E167 WeakPolarHBondContact O-CA 3.46Å; R155-E167 HydrophobicContact CG-CB 4.4Å; R155-E167 HydrophobicContact CG-CG 4.26Å; R155-E167 VanDerWaalsContact CG-OE1 3.3Å; R155-E167 WeakPolarHBondContact CG-OE1 3.37Å; R155-E167 IonicContact CZ-OE1 2.74Å; R155-E167 IonicContact NE-OE1 3.6Å; R155-E167 PolarHBondContact NE-OE1 2.96Å; R155-E167 IonicContact NH2-OE1 3.65Å; V164-E167 HydrophobicContact CG1-CB 3.97Å; E167-I169 HydrophobicContact CG-CD1 4.16Å; E167-I169 HydrophobicContact CG-CG1 3.99Å; E167-I169 WeakPolarHBondContact OE2-CD1 3.39Å
168	Y	98.2	Very high	94.7	Very high	36 Å²	36	72.8 Å²	72.8	14%	0.141	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129.5	168.9	175.5	-110.4	0	0	0	108.6	L152 R153 V154 M170 V186 H188	L152-Y168 HydrophobicContact CD2-CD1 4.47Å; L152-Y168 HydrophobicContact CD2-CE1 4.12Å; R153-Y168 WeakPolarHBondContact CA-O 3.42Å; V154-Y168 PolarHBondContact N-O 3.09Å; V154-Y168 PolarHBondContact O-N 2.9Å; Y168-M170 HydrophobicContact CE1-CB 3.86Å; Y168-M170 VanDerWaalsContact OH-CE 3.25Å; Y168-M170 WeakPolarHBondContact OH-CE 3.12Å; Y168-V186 HydrophobicContact CE1-CG1 4.27Å; Y168-H188 HydrophobicContact CD1-CB 3.78Å; Y168-H188 AromaticContact CD1-CG 3.82Å; Y168-H188 HydrophobicContact CD2-CB 4.24Å; Y168-H188 AromaticContact CD2-CD2 3.9Å; Y168-H188 AromaticContact CD2-CE1 3.59Å; Y168-H188 AromaticContact CD2-CG 3.57Å; Y168-H188 AromaticContact CD2-ND1 3.36Å; Y168-H188 WeakPolarHBondContact CD2-ND1 3.36Å; Y168-H188 AromaticContact CD2-NE2 3.92Å; Y168-H188 HydrophobicContact CE1-CB 3.61Å; Y168-H188 HydrophobicContact CE2-CB 4.1Å; Y168-H188 AromaticContact CE2-CG 3.78Å; Y168-H188 AromaticContact CE2-ND1 3.46Å; Y168-H188 WeakPolarHBondContact CE2-ND1 3.33Å; Y168-H188 HydrophobicContact CG-CB 4.07Å; Y168-H188 AromaticContact CG-CD2 3.62Å; Y168-H188 AromaticContact CG-CG 3.57Å; Y168-H188 AromaticContact CG-ND1 3.88Å; Y168-H188 AromaticContact CG-NE2 3.97Å; Y168-H188 AromaticContact CZ-CG 3.98Å
169	I	97.8	Very high	94.3	Very high	89 Å²	89	76.7 Å²	76.7	46%	0.456	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	134	173.8	-65.5	166.8	0	0	0	107.7	L152 R153 E167	L152-I169 WeakPolarHBondContact O-CA 3.28Å; R153-I169 HydrophobicContact CB-CG1 4.48Å; R153-I169 HydrophobicContact CG-CG1 4Å; E167-I169 HydrophobicContact CG-CD1 4.16Å; E167-I169 HydrophobicContact CG-CG1 3.99Å; E167-I169 WeakPolarHBondContact OE2-CD1 3.39Å
170	M	95.9	Very high	94	Very high	67 Å²	67	74.2 Å²	74.2	33%	0.33	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	126.5	173.1	173.2	55.4	70.6	0	0	108.4	Q151 L152 Y168 V186	Q151-M170 CarbonylContact C-O 3.47Å; Q151-M170 WeakPolarHBondContact CA-O 3.46Å; L152-M170 HydrophobicContact CB-CB 4.32Å; L152-M170 PolarHBondContact N-O 3.09Å; L152-M170 PolarHBondContact O-N 2.79Å; Y168-M170 HydrophobicContact CE1-CB 3.86Å; Y168-M170 VanDerWaalsContact OH-CE 3.25Å; Y168-M170 WeakPolarHBondContact OH-CE 3.12Å; M170-V186 HydrophobicContact CB-CG1 4.24Å; M170-V186 HydrophobicContact CG-CG1 3.88Å; M170-V186 HydrophobicContact CG-CG2 4.38Å
171	S	96.6	Very high	93.9	Very high	54 Å²	54	71.1 Å²	71.1	38%	0.378	38%	0.383	S	S	.	.			trans	-143.5	81	-180	-61.7	0	0	0	0	107.8
172	P	94.8	Very high	94	Very high	23 Å²	23	75 Å²	75	15%	0.149	40%	0.401	C	S	.	.			trans	-65.2	157.1	-178.1	28.1	-34.3	0	0	0	111.5	Y140 Y150	Y140-P172 HydrophobicContact CE1-CG 4.4Å; Y140-P172 HydrophobicContact CE2-CG 4.44Å; Y140-P172 WeakPolarHBondContact OH-CG 3.43Å; Y150-P172 HydrophobicContact CD1-CG 4.13Å
173	T	94.7	Very high	94.2	Very high	107 Å²	107	68.6 Å²	68.6	66%	0.656	37%	0.37	S	S	*	.			trans	-113.1	132.9	171.3	-57.2	0	0	0	0	108.5	E147	E147-T173 HydrophobicContact CB-CG2 4.23Å; E147-T173 CarbonylContact O-C 3.56Å; E147-T173 WeakPolarHBondContact O-CA 3.49Å; E147-T173 VanDerWaalsContact O-CG2 3.31Å; E147-T173 WeakPolarHBondContact O-CG2 3.38Å
174	E	92.9	Very high	94.2	Very high	17 Å²	17	67.4 Å²	67.4	8%	0.079	36%	0.358	C	S	.	.			trans	-104	135.6	-175.2	-49.1	-55.2	172.3	0	0	112.7	Y140 E142 E147 I149 L176 K184	Y140-E174 WeakPolarHBondContact CE2-OE1 3.49Å; Y140-E174 PolarHBondContact OH-OE1 3.12Å; E142-E174 VanDerWaalsContact OE2-CD 3.31Å; E142-E174 WeakPolarHBondContact OE2-CG 3.38Å; E147-E174 PolarHBondContact O-N 2.9Å; I149-E174 HydrophobicContact CD1-CG 3.99Å; I149-E174 HydrophobicContact CG1-CG 3.88Å; E174-L176 PolarHBondContact O-N 3.03Å; E174-K184 VanDerWaalsContact CD-NZ 3.27Å; E174-K184 IonicContact OE1-NZ 2.74Å; E174-K184 IonicContact OE2-NZ 2.72Å; E174-K184 PolarHBondContact OE2-NZ 2.95Å
175	E	91.2	Very high	94.1	Very high	134 Å²	134	68.5 Å²	68.5	63%	0.626	36%	0.359	S	S	*	.			trans	-81.1	98.2	172.2	-65.6	-163.7	-162.1	0	0	109.9	S177 E178	E175-S177 PolarHBondContact O-N 2.84Å; E175-E178 HydrophobicContact CB-CB 4.49Å; E175-E178 PolarHBondContact O-N 2.95Å
176	L	89.6	Confident	94.1	Very high	78 Å²	78	66.4 Å²	66.4	41%	0.408	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-16.8	-176.4	-68.1	177.1	0	0	0	114.8	Q144 E174	Q144-L176 HydrophobicContact CG-CD2 4Å; Q144-L176 PolarHBondContact NE2-O 2.94Å; Q144-L176 WeakPolarHBondContact O-CD2 3.37Å; E174-L176 PolarHBondContact O-N 3.03Å
177	S	90.4	Very high	94.1	Very high	106 Å²	106	67.7 Å²	67.7	74%	0.741	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-22.7	172	40	0	0	0	0	114.2	E175	E175-S177 PolarHBondContact O-N 2.84Å
178	E	87.7	Confident	94	Very high	146 Å²	146	66.5 Å²	66.5	68%	0.682	35%	0.352	S	S	*	.	S	Bend	trans	-110.5	56.7	-174.5	-58.9	-154.8	160.8	0	0	111.5	E175 S180	E175-E178 HydrophobicContact CB-CB 4.49Å; E175-E178 PolarHBondContact O-N 2.95Å; E178-S180 PolarHBondContact O-N 2.93Å; E178-S180 VanDerWaalsContact O-N 3.17Å
179	Y	88.6	Confident	94	Very high	87 Å²	87	67.2 Å²	67.2	34%	0.341	36%	0.36	S	S	.	.			trans	-63.4	117	177.8	-179.6	-127.7	0	0	0	111.8	E142 Q144 H181	E142-Y179 HydrophobicContact CG-CD2 4.19Å; E142-Y179 VanDerWaalsContact O-CE2 3.3Å; E142-Y179 WeakPolarHBondContact O-CE2 3.28Å; Q144-Y179 HydrophobicContact CB-CD2 3.55Å; Q144-Y179 HydrophobicContact CB-CE2 3.81Å; Q144-Y179 HydrophobicContact CB-CG 4.24Å; Q144-Y179 HydrophobicContact CG-CD2 3.97Å; Q144-Y179 HydrophobicContact CG-CG 4.24Å; Y179-H181 HydrophobicContact CE1-CB 3.81Å; Y179-H181 HydrophobicContact CE2-CB 4.03Å; Y179-H181 AromaticContact CZ-CD2 3.81Å; Y179-H181 AromaticContact CZ-CG 3.78Å; Y179-H181 PolarHBondContact OH-CD2 2.82Å; Y179-H181 VanDerWaalsContact OH-CG 3.28Å
180	S	87.3	Confident	94	Very high	49 Å²	49	63.3 Å²	63.3	34%	0.343	34%	0.34	S	S	.	.			trans	-102.2	-20.2	-177.4	69.2	0	0	0	0	114.4	E142 E178 N182	E142-S180 WeakPolarHBondContact CG-OG 3.4Å; E178-S180 PolarHBondContact O-N 2.93Å; E178-S180 VanDerWaalsContact O-N 3.17Å; S180-N182 PolarHBondContact O-N 2.59Å; S180-N182 PolarHBondContact O-ND2 2.87Å
181	H	92	Very high	93.9	Very high	25 Å²	25	61 Å²	61	12%	0.116	33%	0.331	C	S	.	.			trans	46.3	37.9	-172.6	-159.8	-148.7	0	0	0	114.1	P55 E57 Y179	P55-H181 VanDerWaalsContact CD-O 3.3Å; P55-H181 WeakPolarHBondContact CD-O 3.35Å; P55-H181 WeakPolarHBondContact CG-O 3.15Å; E57-H181 IonicContact OE1-CE1 3.21Å; E57-H181 IonicContact OE1-ND1 2.89Å; E57-H181 PolarHBondContact OE1-ND1 2.89Å; E57-H181 IonicContact OE2-CE1 3.74Å; E57-H181 PolarHBondContact OE2-CE1 2.83Å; E57-H181 IonicContact OE2-ND1 3.47Å; Y179-H181 HydrophobicContact CE1-CB 3.81Å; Y179-H181 HydrophobicContact CE2-CB 4.03Å; Y179-H181 AromaticContact CZ-CD2 3.81Å; Y179-H181 AromaticContact CZ-CG 3.78Å; Y179-H181 PolarHBondContact OH-CD2 2.82Å; Y179-H181 VanDerWaalsContact OH-CG 3.28Å
182	N	94.9	Very high	93.7	Very high	93 Å²	93	62.7 Å²	62.7	50%	0.497	34%	0.335	S	S	.	.			trans	-116.6	160.7	-177.9	-75.1	-57.9	0	0	0	111.7	E142 S180	E142-N182 PolarHBondContact N-O 2.89Å; S180-N182 PolarHBondContact O-N 2.59Å; S180-N182 PolarHBondContact O-ND2 2.87Å
183	W	97.2	Very high	93.7	Very high	24 Å²	24	62.5 Å²	62.5	9%	0.091	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	133.7	165.2	-63.7	111.1	0	0	0	110.8	V49 S50 Q51 S53 P55 W139 Y140 E141 L218 T220	V49-W183 HydrophobicContact CB-CH2 4.4Å; V49-W183 HydrophobicContact CB-CZ2 4.09Å; V49-W183 HydrophobicContact CG2-CH2 3.53Å; V49-W183 HydrophobicContact CG2-CZ2 3.69Å; S50-W183 PolarHBondContact O-NE1 3.18Å; Q51-W183 HydrophobicContact CB-CG 4.28Å; S53-W183 PolarHBondContact O-NE1 3.29Å; P55-W183 HydrophobicContact CB-CZ2 4.27Å; P55-W183 HydrophobicContact CG-CD2 4.07Å; P55-W183 HydrophobicContact CG-CG 4.17Å; P55-W183 HydrophobicContact CG-CZ2 4.31Å; W139-W183 HydrophobicContact CB-CE3 4.32Å; W139-W183 HydrophobicContact CE3-CB 3.65Å; W139-W183 HydrophobicContact CZ3-CB 4.21Å; Y140-W183 WeakPolarHBondContact O-CA 3.37Å; E141-W183 HydrophobicContact CB-CE3 4.46Å; E141-W183 HydrophobicContact CB-CZ3 4.07Å; W183-L218 HydrophobicContact CH2-CB 3.91Å; W183-L218 HydrophobicContact CZ3-CB 4.27Å; W183-T220 HydrophobicContact CD2-CG2 4.28Å; W183-T220 HydrophobicContact CE3-CG2 4.11Å; W183-T220 HydrophobicContact CH2-CG2 3.93Å; W183-T220 HydrophobicContact CZ2-CG2 4.05Å; W183-T220 HydrophobicContact CZ3-CG2 3.94Å
184	K	96.7	Very high	93.6	Very high	54 Å²	54	58.3 Å²	58.3	24%	0.235	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	120.4	175.8	-72.7	179.1	170.8	171.8	0	110.2	W139 Y140 E142 E174	W139-K184 WeakPolarHBondContact CA-O 3.19Å; Y140-K184 HydrophobicContact CD1-CB 4.12Å; Y140-K184 WeakPolarHBondContact CD1-O 3.45Å; Y140-K184 HydrophobicContact CD2-CB 4.46Å; Y140-K184 HydrophobicContact CE1-CB 3.57Å; Y140-K184 HydrophobicContact CE2-CB 3.97Å; Y140-K184 HydrophobicContact CE2-CD 3.77Å; Y140-K184 HydrophobicContact CE2-CG 4.42Å; Y140-K184 VanDerWaalsContact CZ-CB 3.48Å; Y140-K184 PolarHBondContact N-O 2.79Å; Y140-K184 PolarHBondContact O-N 2.7Å; Y140-K184 VanDerWaalsContact OH-CD 3.31Å; Y140-K184 WeakPolarHBondContact OH-CD 3.44Å; E142-K184 HydrophobicContact CB-CD 4.25Å; E142-K184 IonicContact OE2-NZ 3.81Å; E142-K184 PolarHBondContact OE2-NZ 2.81Å; E174-K184 VanDerWaalsContact CD-NZ 3.27Å; E174-K184 IonicContact OE1-NZ 2.74Å; E174-K184 IonicContact OE2-NZ 2.72Å; E174-K184 PolarHBondContact OE2-NZ 2.95Å
185	E	97.1	Very high	93.7	Very high	85 Å²	85	61.6 Å²	61.6	40%	0.397	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	133.5	177.1	-168.3	179.2	171	0	0	111.1	K137 W139	K137-E185 IonicContact NZ-OE1 3.4Å; K137-E185 PolarHBondContact NZ-OE1 2.94Å; W139-E185 HydrophobicContact CD2-CB 3.94Å; W139-E185 HydrophobicContact CD2-CG 4.21Å; W139-E185 HydrophobicContact CE3-CB 3.79Å; W139-E185 HydrophobicContact CH2-CB 3.69Å; W139-E185 HydrophobicContact CH2-CG 4.21Å; W139-E185 HydrophobicContact CZ2-CB 3.77Å; W139-E185 HydrophobicContact CZ2-CG 3.77Å; W139-E185 HydrophobicContact CZ3-CB 3.69Å
186	V	96.9	Very high	93.9	Very high	11 Å²	11	56.2 Å²	56.2	7%	0.067	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	128.9	161.2	-177.3	0	0	0	0	108.6	K137 D138 Y140 Y150 L152 Y168 M170	K137-V186 CarbonylContact C-O 3.44Å; K137-V186 VanDerWaalsContact CA-O 3.29Å; K137-V186 WeakPolarHBondContact CA-O 3.29Å; D138-V186 PolarHBondContact N-O 2.89Å; D138-V186 PolarHBondContact O-N 3.17Å; Y140-V186 HydrophobicContact CD1-CG2 4.02Å; Y140-V186 HydrophobicContact CE1-CG2 3.61Å; Y150-V186 HydrophobicContact CD1-CG2 4.49Å; Y150-V186 HydrophobicContact CE1-CG2 3.77Å; L152-V186 HydrophobicContact CD2-CB 4.43Å; L152-V186 HydrophobicContact CD2-CG1 3.74Å; Y168-V186 HydrophobicContact CE1-CG1 4.27Å; M170-V186 HydrophobicContact CB-CG1 4.24Å; M170-V186 HydrophobicContact CG-CG1 3.88Å; M170-V186 HydrophobicContact CG-CG2 4.38Å
187	S	97	Very high	94.3	Very high	62 Å²	62	52.5 Å²	52.5	43%	0.434	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	133.3	-176.8	-179.9	0	0	0	0	110.3	I136	I136-S187 WeakPolarHBondContact O-CA 3.1Å
188	H	97.4	Very high	94.6	Very high	50 Å²	50	48.7 Å²	48.7	23%	0.231	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	152.2	176.9	-175.8	68.2	0	0	0	110.8	V135 I136 Y168 F190	V135-H188 WeakPolarHBondContact CA-O 3.34Å; I136-H188 HydrophobicContact CB-CB 4.27Å; I136-H188 PolarHBondContact N-O 3.39Å; I136-H188 PolarHBondContact O-N 2.79Å; Y168-H188 HydrophobicContact CD1-CB 3.78Å; Y168-H188 AromaticContact CD1-CG 3.82Å; Y168-H188 HydrophobicContact CD2-CB 4.24Å; Y168-H188 AromaticContact CD2-CD2 3.9Å; Y168-H188 AromaticContact CD2-CE1 3.59Å; Y168-H188 AromaticContact CD2-CG 3.57Å; Y168-H188 AromaticContact CD2-ND1 3.36Å; Y168-H188 WeakPolarHBondContact CD2-ND1 3.36Å; Y168-H188 AromaticContact CD2-NE2 3.92Å; Y168-H188 HydrophobicContact CE1-CB 3.61Å; Y168-H188 HydrophobicContact CE2-CB 4.1Å; Y168-H188 AromaticContact CE2-CG 3.78Å; Y168-H188 AromaticContact CE2-ND1 3.46Å; Y168-H188 WeakPolarHBondContact CE2-ND1 3.33Å; Y168-H188 HydrophobicContact CG-CB 4.07Å; Y168-H188 AromaticContact CG-CD2 3.62Å; Y168-H188 AromaticContact CG-CG 3.57Å; Y168-H188 AromaticContact CG-ND1 3.88Å; Y168-H188 AromaticContact CG-NE2 3.97Å; Y168-H188 AromaticContact CZ-CG 3.98Å; H188-F190 AromaticContact CD2-CD2 3.81Å; H188-F190 AromaticContact CD2-CE2 3.73Å; H188-F190 AromaticContact CD2-CZ 3.85Å; H188-F190 AromaticContact NE2-CD1 3.64Å; H188-F190 AromaticContact NE2-CE1 3.7Å; H188-F190 AromaticContact NE2-CG 3.89Å
189	V	97.6	Very high	95.1	Very high	51 Å²	51	44 Å²	44	31%	0.309	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	116.4	175.5	-175.1	0	0	0	0	108.5	D133 V135	D133-V189 HydrophobicContact CB-CG1 3.9Å; V135-V189 HydrophobicContact CG1-CG2 4.25Å; V135-V189 HydrophobicContact CG2-CG1 4.2Å; V135-V189 HydrophobicContact CG2-CG2 4.05Å
190	F	97.1	Very high	95.6	Very high	6 Å²	6	39.9 Å²	39.9	3%	0.026	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	115.9	165.3	-62.2	-84.1	0	0	0	108.7	D133 I134 I136 V154 L156 S166 H188 Y193	D133-F190 WeakPolarHBondContact CA-O 3.44Å; I134-F190 HydrophobicContact CB-CB 4.31Å; I134-F190 HydrophobicContact CB-CD2 4.46Å; I134-F190 PolarHBondContact N-O 2.71Å; I134-F190 PolarHBondContact O-N 3.13Å; I136-F190 HydrophobicContact CD1-CD2 4.42Å; I136-F190 HydrophobicContact CD1-CE2 4.18Å; I136-F190 HydrophobicContact CG1-CD2 4.09Å; I136-F190 HydrophobicContact CG1-CE2 3.79Å; V154-F190 HydrophobicContact CB-CE2 4.16Å; V154-F190 HydrophobicContact CB-CZ 4.23Å; V154-F190 HydrophobicContact CG1-CE2 3.76Å; V154-F190 HydrophobicContact CG1-CZ 4.16Å; L156-F190 HydrophobicContact CD1-CB 3.71Å; L156-F190 HydrophobicContact CD1-CD1 3.87Å; L156-F190 HydrophobicContact CD1-CD2 4.2Å; L156-F190 HydrophobicContact CD1-CG 3.69Å; L156-F190 HydrophobicContact CD2-CD2 4.04Å; L156-F190 HydrophobicContact CD2-CE2 4.2Å; L156-F190 HydrophobicContact CD2-CG 4.37Å; L156-F190 HydrophobicContact CG-CD1 4.08Å; L156-F190 HydrophobicContact CG-CD2 4.14Å; L156-F190 HydrophobicContact CG-CE1 4.24Å; L156-F190 HydrophobicContact CG-CE2 4.3Å; L156-F190 HydrophobicContact CG-CG 4.03Å; L156-F190 HydrophobicContact CG-CZ 4.34Å; S166-F190 WeakPolarHBondContact OG-CD1 3.47Å; H188-F190 AromaticContact CD2-CD2 3.81Å; H188-F190 AromaticContact CD2-CE2 3.73Å; H188-F190 AromaticContact CD2-CZ 3.85Å; H188-F190 AromaticContact NE2-CD1 3.64Å; H188-F190 AromaticContact NE2-CE1 3.7Å; H188-F190 AromaticContact NE2-CG 3.89Å; F190-Y193 HydrophobicContact CB-CD1 3.87Å; F190-Y193 HydrophobicContact CB-CE1 4.5Å
191	S	94.2	Very high	96.1	Very high	19 Å²	19	39 Å²	39	13%	0.133	21%	0.214	C	C	.	.			trans	-125.4	152	169.3	65.2	0	0	0	0	110.1	D133 Y193	D133-S191 WeakPolarHBondContact OD1-CB 3.12Å; S191-Y193 PolarHBondContact O-N 3.27Å; S191-Y193 VanDerWaalsContact O-N 3.1Å
192	D	92.6	Very high	96.4	Very high	89 Å²	89	37.9 Å²	37.9	48%	0.476	21%	0.208	S	C	.	.	S	Bend	trans	48.5	38.7	179.4	-60	-38.8	0	0	0	114.2	Q131 G194 K230	Q131-D192 VanDerWaalsContact OE1-C 3.3Å; D192-G194 PolarHBondContact O-N 3.29Å; D192-G194 VanDerWaalsContact O-N 3.15Å; D192-K230 IonicContact OD1-NZ 2.7Å; D192-K230 PolarHBondContact OD1-NZ 3.47Å
193	Y	94.2	Very high	96.6	Very high	19 Å²	19	34.7 Å²	34.7	8%	0.075	19%	0.191	C	C	.	.			trans	-71.7	-1.5	-174.7	42.2	-101.1	0	0	0	115	Q131 P132 I134 L156 I165 F190 S191 V197	Q131-Y193 VanDerWaalsContact C-OH 3.28Å; Q131-Y193 WeakPolarHBondContact CA-OH 3.25Å; Q131-Y193 HydrophobicContact CB-CD2 4.28Å; Q131-Y193 HydrophobicContact CB-CE1 4.21Å; Q131-Y193 HydrophobicContact CB-CE2 3.8Å; Q131-Y193 HydrophobicContact CG-CD2 4.16Å; Q131-Y193 HydrophobicContact CG-CE2 3.84Å; P132-Y193 VanDerWaalsContact CD-OH 3.27Å; P132-Y193 WeakPolarHBondContact CD-OH 3.35Å; P132-Y193 VanDerWaalsContact O-CE1 3.25Å; P132-Y193 WeakPolarHBondContact O-CE1 3.5Å; P132-Y193 PolarHBondContact O-OH 2.77Å; I134-Y193 HydrophobicContact CD1-CE1 4.05Å; I134-Y193 HydrophobicContact CG1-CE1 4.02Å; L156-Y193 HydrophobicContact CD1-CD1 3.77Å; L156-Y193 HydrophobicContact CD1-CD2 4.06Å; L156-Y193 HydrophobicContact CD1-CE1 4.36Å; L156-Y193 HydrophobicContact CD1-CG 3.57Å; I165-Y193 VanDerWaalsContact CG2-O 3.3Å; I165-Y193 WeakPolarHBondContact CG2-O 3.41Å; F190-Y193 HydrophobicContact CB-CD1 3.87Å; F190-Y193 HydrophobicContact CB-CE1 4.5Å; S191-Y193 PolarHBondContact O-N 3.27Å; S191-Y193 VanDerWaalsContact O-N 3.1Å; Y193-V197 HydrophobicContact CD2-CB 4.22Å; Y193-V197 HydrophobicContact CD2-CG2 3.48Å; Y193-V197 VanDerWaalsContact CD2-CG2 3.48Å; Y193-V197 HydrophobicContact CE2-CB 4.07Å; Y193-V197 HydrophobicContact CE2-CG2 3.85Å; Y193-V197 HydrophobicContact CG-CG2 4.38Å
194	G	93.6	Very high	96.6	Very high	20 Å²	20	33.5 Å²	33.5	21%	0.206	19%	0.187	C	C	.	.			trans	83	165.8	-176.9	0	0	0	0	0	113.7	D192	D192-G194 PolarHBondContact O-N 3.29Å; D192-G194 VanDerWaalsContact O-N 3.15Å
195	P	94.4	Very high	96.7	Very high	86 Å²	86	33.3 Å²	33.3	56%	0.558	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	160.1	-178.1	32.3	-36.4	0	0	0	112.6	D128	D128-P195 HydrophobicContact CB-CB 3.88Å
196	G	95.2	Very high	96.7	Very high	20 Å²	20	29.3 Å²	29.3	21%	0.206	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.1	-6.7	171.5	0	0	0	0	0	115.1	D128 G158 I165 R198	D128-G196 WeakPolarHBondContact OD1-CA 3.5Å; D128-G196 PolarHBondContact OD1-N 3.27Å; G158-G196 WeakPolarHBondContact CA-O 3.34Å; I165-G196 WeakPolarHBondContact CD1-O 3.3Å; G196-R198 PolarHBondContact O-N 2.81Å
197	V	97.6	Very high	96.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.166	C	C	.	.			trans	-65.3	128.2	179.9	176.9	0	0	0	0	110.5	L117 L127 I134 L156 I165 Y193	L117-V197 HydrophobicContact CD1-CG1 3.81Å; L127-V197 WeakPolarHBondContact CD1-O 3.45Å; I134-V197 HydrophobicContact CD1-CG1 4.43Å; L156-V197 HydrophobicContact CB-CG1 3.9Å; L156-V197 HydrophobicContact CB-CG2 3.84Å; L156-V197 HydrophobicContact CD1-CG1 4.4Å; L156-V197 HydrophobicContact CD1-CG2 4.16Å; L156-V197 HydrophobicContact CD2-CG1 4.36Å; L156-V197 HydrophobicContact CG-CG1 4.46Å; I165-V197 HydrophobicContact CB-CG2 4.09Å; I165-V197 HydrophobicContact CD1-CG2 3.87Å; I165-V197 HydrophobicContact CG2-CG2 3.89Å; Y193-V197 HydrophobicContact CD2-CB 4.22Å; Y193-V197 HydrophobicContact CD2-CG2 3.48Å; Y193-V197 VanDerWaalsContact CD2-CG2 3.48Å; Y193-V197 HydrophobicContact CE2-CB 4.07Å; Y193-V197 HydrophobicContact CE2-CG2 3.85Å; Y193-V197 HydrophobicContact CG-CG2 4.38Å
198	R	97.7	Very high	96.6	Very high	27 Å²	27	26.6 Å²	26.6	10%	0.102	15%	0.146	C	C	.	.			trans	-130.7	-27	177.5	-62.3	-59.6	178.3	-89.5	-0.3	113.6	L117 D124 D128 L157 G196	L117-R198 WeakPolarHBondContact CB-O 3.3Å; L117-R198 PolarHBondContact N-O 2.82Å; D124-R198 VanDerWaalsContact OD1-CD 3.32Å; D124-R198 WeakPolarHBondContact OD1-CD 3.37Å; D124-R198 IonicContact OD1-CZ 3.82Å; D124-R198 IonicContact OD1-NE 2.7Å; D124-R198 PolarHBondContact OD1-NE 3.1Å; D124-R198 IonicContact OD2-NE 3.57Å; D128-R198 IonicContact OD1-CZ 2.68Å; D128-R198 IonicContact OD1-NH1 2.97Å; D128-R198 PolarHBondContact OD1-NH1 2.87Å; D128-R198 IonicContact OD1-NH2 3.66Å; D128-R198 PolarHBondContact OD1-NH2 2.7Å; D128-R198 IonicContact OD2-CZ 3.47Å; D128-R198 IonicContact OD2-NH1 3.24Å; D128-R198 IonicContact OD2-NH2 3.96Å; D128-R198 PolarHBondContact OD2-NH2 2.85Å; L157-R198 PolarHBondContact O-N 2.97Å; G196-R198 PolarHBondContact O-N 2.81Å
199	Y	98.3	Very high	96.4	Very high	47 Å²	47	26.8 Å²	26.8	18%	0.184	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	150.1	176.8	-45.4	-92.2	0	0	0	112.1	R114 V115 D116 L157 G158	R114-Y199 HydrophobicContact CG-CD1 4.32Å; R114-Y199 HydrophobicContact CG-CG 4.45Å; V115-Y199 CarbonylContact O-C 3.58Å; V115-Y199 WeakPolarHBondContact O-CA 3.37Å; V115-Y199 WeakPolarHBondContact O-CB 3.23Å; D116-Y199 HydrophobicContact CB-CD1 3.89Å; D116-Y199 HydrophobicContact CB-CE1 3.91Å; L157-Y199 HydrophobicContact CB-CD2 4.46Å; L157-Y199 PolarHBondContact N-O 2.87Å; L157-Y199 PolarHBondContact O-N 3.41Å; G158-Y199 VanDerWaalsContact O-CD2 3.29Å; G158-Y199 WeakPolarHBondContact O-CD2 3.33Å; G158-Y199 WeakPolarHBondContact O-CE2 3.42Å
200	V	98.5	Very high	96	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	123.3	162.2	-174.9	0	0	0	0	107.4	R114 V115 L117 I134 I136 V154 R155 L156 V224	R114-V200 CarbonylContact C-O 3.48Å; R114-V200 WeakPolarHBondContact CA-O 3.49Å; V115-V200 HydrophobicContact CB-CB 4.27Å; V115-V200 PolarHBondContact N-O 3Å; V115-V200 PolarHBondContact O-N 2.87Å; L117-V200 HydrophobicContact CD1-CG2 4.08Å; L117-V200 HydrophobicContact CD2-CG2 3.91Å; L117-V200 HydrophobicContact CG-CG2 4.17Å; I134-V200 HydrophobicContact CD1-CG2 4.34Å; I134-V200 HydrophobicContact CG2-CG2 4.18Å; I136-V200 HydrophobicContact CD1-CG1 4.48Å; V154-V200 HydrophobicContact CG1-CG1 3.66Å; R155-V200 WeakPolarHBondContact O-CA 3.47Å; L156-V200 HydrophobicContact CD2-CG1 4.4Å; L156-V200 HydrophobicContact CD2-CG2 3.87Å; V200-V224 HydrophobicContact CB-CG1 4.5Å; V200-V224 HydrophobicContact CG1-CG1 4.29Å; V200-V224 HydrophobicContact CG1-CG2 4.24Å; V200-V224 HydrophobicContact CG2-CG1 4.28Å
201	H	98.6	Very high	95.3	Very high	32 Å²	32	29.8 Å²	29.8	15%	0.148	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	106.5	171.1	179.5	-84.6	0	0	0	108.5	E112 V154 R155 L157	E112-H201 IonicContact OE2-NE2 3.5Å; V154-H201 WeakPolarHBondContact CA-O 3.46Å; R155-H201 HydrophobicContact CB-CB 4.32Å; R155-H201 PolarHBondContact N-O 2.74Å; R155-H201 PolarHBondContact O-N 2.83Å; L157-H201 HydrophobicContact CD1-CB 3.67Å; L157-H201 HydrophobicContact CG-CB 4.25Å
202	F	98.6	Very high	94.7	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	125.5	178.2	-175.8	-75.9	0	0	0	108.5	L41 W80 E112 Q113 I136 D138 L152 V154 H204 V224	L41-F202 HydrophobicContact CD1-CD1 4.13Å; L41-F202 HydrophobicContact CD1-CD2 3.85Å; L41-F202 HydrophobicContact CD1-CE1 4.27Å; L41-F202 HydrophobicContact CD1-CE2 3.98Å; L41-F202 HydrophobicContact CD1-CG 3.93Å; L41-F202 HydrophobicContact CD1-CZ 4.19Å; L41-F202 HydrophobicContact CD2-CB 4.06Å; L41-F202 HydrophobicContact CD2-CG 4.31Å; W80-F202 AromaticContact CH2-CD1 3.79Å; W80-F202 HydrophobicContact CH2-CD1 3.79Å; W80-F202 AromaticContact CH2-CE1 3.84Å; W80-F202 HydrophobicContact CH2-CE1 3.84Å; W80-F202 AromaticContact CZ3-CD1 3.84Å; W80-F202 HydrophobicContact CZ3-CD1 3.84Å; W80-F202 HydrophobicContact CZ3-CE1 4.18Å; E112-F202 CarbonylContact C-O 3.56Å; E112-F202 VanDerWaalsContact CA-O 3.3Å; E112-F202 WeakPolarHBondContact CA-O 3.28Å; Q113-F202 PolarHBondContact N-O 2.8Å; Q113-F202 PolarHBondContact O-N 2.94Å; I136-F202 HydrophobicContact CG2-CD2 4.19Å; I136-F202 HydrophobicContact CG2-CE2 3.81Å; D138-F202 HydrophobicContact CB-CZ 4.17Å; D138-F202 WeakPolarHBondContact OD2-CZ 3.46Å; L152-F202 HydrophobicContact CD1-CD2 4.43Å; L152-F202 HydrophobicContact CD1-CE1 4.04Å; L152-F202 HydrophobicContact CD1-CE2 3.87Å; L152-F202 HydrophobicContact CD1-CZ 3.65Å; V154-F202 HydrophobicContact CG2-CD2 3.73Å; V154-F202 HydrophobicContact CG2-CE2 4.24Å; V154-F202 HydrophobicContact CG2-CG 4.32Å; F202-H204 HydrophobicContact CE1-CB 4.37Å; F202-H204 AromaticContact CE1-CG 3.98Å; F202-H204 AromaticContact CE1-ND1 3.76Å; F202-V224 HydrophobicContact CD2-CG2 3.95Å
203	L	98.5	Very high	94.4	Very high	26 Å²	26	30.2 Å²	30.2	14%	0.136	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	125.8	176.5	179.2	160.3	0	0	0	108.7	T110 L111 E112 R153 R205	T110-L203 HydrophobicContact CG2-CD1 3.89Å; T110-L203 HydrophobicContact CG2-CD2 3.8Å; T110-L203 HydrophobicContact CG2-CG 3.66Å; L111-L203 WeakPolarHBondContact O-CA 3.31Å; E112-L203 HydrophobicContact CB-CB 4.01Å; E112-L203 HydrophobicContact CB-CD1 4.09Å; E112-L203 HydrophobicContact CB-CG 4.04Å; R153-L203 HydrophobicContact CB-CD2 4.43Å; R153-L203 PolarHBondContact N-O 3.07Å; R153-L203 PolarHBondContact O-N 2.76Å; L203-R205 HydrophobicContact CD2-CG 3.54Å
204	H	98.1	Very high	94.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	156.6	166.8	60.2	-166.5	0	0	0	111.9	T110 L111 D138 Y150 Q151 L152 F202 S222	T110-H204 WeakPolarHBondContact CA-O 3.3Å; L111-H204 PolarHBondContact N-O 2.88Å; L111-H204 PolarHBondContact O-CD2 3.03Å; L111-H204 PolarHBondContact O-N 3.25Å; D138-H204 IonicContact OD1-ND1 3.69Å; D138-H204 IonicContact OD2-CE1 3.55Å; D138-H204 IonicContact OD2-CG 3.76Å; D138-H204 IonicContact OD2-ND1 3.58Å; D138-H204 PolarHBondContact OD2-ND1 3.23Å; Y150-H204 HydrophobicContact CE2-CB 3.97Å; Q151-H204 CarbonylContact O-C 3.57Å; Q151-H204 WeakPolarHBondContact O-CA 3.3Å; L152-H204 HydrophobicContact CD1-CB 4Å; F202-H204 HydrophobicContact CE1-CB 4.37Å; F202-H204 AromaticContact CE1-CG 3.98Å; F202-H204 AromaticContact CE1-ND1 3.76Å; H204-S222 PolarHBondContact CE1-OG 2.97Å
205	R	97.8	Very high	94.1	Very high	49 Å²	49	32 Å²	32	19%	0.185	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	136	-177.4	-41.9	-175.8	72.3	-148.7	5.3	109.5	E85 W108 F109 T110 Y150 Q151 L203	E85-R205 IonicContact OE2-CZ 2.68Å; E85-R205 IonicContact OE2-NH1 3.68Å; E85-R205 IonicContact OE2-NH2 2.59Å; E85-R205 PolarHBondContact OE2-NH2 2.85Å; W108-R205 HydrophobicContact CD2-CB 4.35Å; W108-R205 HydrophobicContact CE3-CB 3.71Å; W108-R205 HydrophobicContact CZ3-CB 4.23Å; F109-R205 CarbonylContact O-C 3.58Å; F109-R205 WeakPolarHBondContact O-CA 2.94Å; T110-R205 HydrophobicContact CG2-CG 4.11Å; T110-R205 PolarHBondContact OG1-NE 3.14Å; T110-R205 VanDerWaalsContact OG1-NE 3.09Å; Y150-R205 CarbonylContact C-O 3.56Å; Y150-R205 WeakPolarHBondContact CA-O 3.43Å; Q151-R205 HydrophobicContact CB-CB 4.15Å; Q151-R205 HydrophobicContact CB-CG 4.34Å; Q151-R205 PolarHBondContact N-O 3.09Å; Q151-R205 PolarHBondContact O-N 2.92Å; L203-R205 HydrophobicContact CD2-CG 3.54Å
206	L	97.4	Very high	94.1	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	129.4	-174.4	-67.7	159	0	0	0	109.3	W108 F109 L111 I149 Y150 T217 V219	W108-L206 CarbonylContact C-O 3.51Å; W108-L206 WeakPolarHBondContact CA-O 3.27Å; W108-L206 VanDerWaalsContact CE3-C 3.47Å; F109-L206 PolarHBondContact N-O 2.98Å; F109-L206 PolarHBondContact O-N 3.36Å; L111-L206 HydrophobicContact CD1-CD1 3.98Å; I149-L206 CarbonylContact O-C 3.55Å; I149-L206 WeakPolarHBondContact O-CA 3.34Å; Y150-L206 HydrophobicContact CD2-CD2 3.98Å; L206-T217 HydrophobicContact CD2-CG2 3.71Å; L206-V219 HydrophobicContact CD1-CB 4.16Å; L206-V219 HydrophobicContact CD1-CG1 3.58Å; L206-V219 HydrophobicContact CD1-CG2 3.62Å; L206-V219 HydrophobicContact CD2-CG1 3.44Å; L206-V219 VanDerWaalsContact CD2-CG1 3.44Å; L206-V219 HydrophobicContact CG-CG1 3.91Å
207	K	96.1	Very high	94.1	Very high	16 Å²	16	28.5 Å²	28.5	7%	0.07	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	119	178.2	-156	165.6	-178.5	172	0	108.9	Y106 W108 H146 S148 I149 T217	Y106-K207 HydrophobicContact CD1-CG 4.36Å; W108-K207 HydrophobicContact CE3-CB 4Å; W108-K207 HydrophobicContact CH2-CB 4.01Å; W108-K207 HydrophobicContact CH2-CD 4.17Å; W108-K207 HydrophobicContact CH2-CG 4.46Å; W108-K207 HydrophobicContact CZ2-CD 4.12Å; W108-K207 HydrophobicContact CZ3-CB 3.7Å; W108-K207 HydrophobicContact CZ3-CG 4.45Å; H146-K207 HydrophobicContact CB-CD 3.84Å; H146-K207 PolarHBondContact CD2-NZ 3.13Å; H146-K207 PolarHBondContact CE1-NZ 3.17Å; H146-K207 VanDerWaalsContact CG-NZ 3.3Å; H146-K207 PolarHBondContact ND1-NZ 3.06Å; H146-K207 PolarHBondContact NE2-NZ 3.47Å; S148-K207 WeakPolarHBondContact O-CD 3.45Å; I149-K207 PolarHBondContact O-N 3.29Å; K207-T217 PolarHBondContact O-OG1 3Å
208	N	95.3	Very high	94.1	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	152.6	175.7	-57.2	-27	0	0	0	109	Y106 S107 F109 F214 F215 P216 T217	Y106-N208 WeakPolarHBondContact CA-O 3.38Å; S107-N208 PolarHBondContact N-O 2.67Å; S107-N208 PolarHBondContact O-N 3.23Å; F109-N208 VanDerWaalsContact CB-ND2 3.26Å; F109-N208 WeakPolarHBondContact CB-ND2 3.44Å; N208-F214 HydrophobicContact CB-CE2 3.79Å; N208-F214 HydrophobicContact CB-CZ 3.69Å; N208-F215 WeakPolarHBondContact CA-O 3.07Å; N208-P216 VanDerWaalsContact OD1-CA 3.27Å; N208-P216 WeakPolarHBondContact OD1-CA 3.35Å; N208-T217 PolarHBondContact OD1-N 2.85Å
209	K	92.7	Very high	94	Very high	54 Å²	54	28.1 Å²	28.1	24%	0.235	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	125.9	-178.6	-180	-173.6	-177.5	-177.6	0	109.2	P104 Y106 L145 F215	P104-K209 HydrophobicContact CB-CD 4.4Å; P104-K209 HydrophobicContact CB-CG 4.07Å; Y106-K209 HydrophobicContact CD1-CB 3.94Å; Y106-K209 HydrophobicContact CD1-CG 4.15Å; Y106-K209 HydrophobicContact CE1-CB 3.8Å; Y106-K209 HydrophobicContact CE1-CD 3.95Å; Y106-K209 HydrophobicContact CE1-CG 3.68Å; L145-K209 HydrophobicContact CB-CB 4.48Å; L145-K209 HydrophobicContact CD1-CB 4.22Å; L145-K209 HydrophobicContact CD2-CB 4.23Å; L145-K209 HydrophobicContact CD2-CD 4.08Å; K209-F215 HydrophobicContact CB-CB 4.39Å; K209-F215 PolarHBondContact N-O 2.72Å; K209-F215 PolarHBondContact O-N 2.9Å
210	F	89.7	Confident	94	Very high	53 Å²	53	26 Å²	26	23%	0.232	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	134.8	168.7	-173.8	-88.9	0	0	0	109.6	P69 R70 P104 N105 E213 F214	P69-F210 HydrophobicContact CB-CE2 3.66Å; P69-F210 HydrophobicContact CB-CZ 3.63Å; R70-F210 WeakPolarHBondContact O-CD2 3.25Å; P104-F210 WeakPolarHBondContact CA-O 3.45Å; N105-F210 PolarHBondContact N-O 3.46Å; N105-F210 PolarHBondContact O-N 3.28Å; F210-E213 WeakPolarHBondContact CA-O 3.3Å; F210-F214 HydrophobicContact CD2-CB 4.08Å; F210-F214 HydrophobicContact CD2-CD2 4.31Å
211	M	82.9	Confident	93.9	Very high	67 Å²	67	26.5 Å²	26.5	33%	0.33	13%	0.133	S	C	.	.	S	Bend	trans	-144.1	-91.6	172.3	-169.4	176.4	178.9	0	0	111.2	E213	M211-E213 PolarHBondContact N-O 3.28Å
212	V	81.6	Confident	93.9	Very high	86 Å²	86	25 Å²	25	52%	0.521	13%	0.126	S	C	.	.	S	Bend	trans	-85.1	-37.9	165.4	-178.5	0	0	0	0	109.6
213	E	85.7	Confident	93.8	Very high	31 Å²	31	26.2 Å²	26.2	15%	0.145	13%	0.133	C	C	.	.	S	Bend	trans	-128.2	174.9	178.3	-73.1	163.4	-172	0	0	109.8	T61 F210 M211 F215	T61-E213 VanDerWaalsContact OG1-CD 3.27Å; T61-E213 PolarHBondContact OG1-OE1 3.17Å; F210-E213 WeakPolarHBondContact CA-O 3.3Å; M211-E213 PolarHBondContact N-O 3.28Å; E213-F215 HydrophobicContact CB-CE2 4.07Å; E213-F215 HydrophobicContact CB-CZ 3.91Å
214	F	89.4	Confident	93.8	Very high	28 Å²	28	25 Å²	25	12%	0.123	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	123.1	179.3	178.9	-94.6	0	0	0	110.9	R70 S71 E72 P73 N208 F210 P216	R70-F214 HydrophobicContact CB-CB 3.86Å; R70-F214 HydrophobicContact CB-CD1 4.39Å; R70-F214 HydrophobicContact CB-CG 4.14Å; R70-F214 WeakPolarHBondContact O-CB 3.44Å; R70-F214 WeakPolarHBondContact O-CD2 3.42Å; S71-F214 VanDerWaalsContact C-CE2 3.43Å; S71-F214 WeakPolarHBondContact O-CE2 3.38Å; E72-F214 VanDerWaalsContact C-CE1 3.48Å; E72-F214 VanDerWaalsContact C-CZ 3.49Å; E72-F214 WeakPolarHBondContact O-CE1 3.29Å; P73-F214 HydrophobicContact CB-CE1 4.33Å; N208-F214 HydrophobicContact CB-CE2 3.79Å; N208-F214 HydrophobicContact CB-CZ 3.69Å; F210-F214 HydrophobicContact CD2-CB 4.08Å; F210-F214 HydrophobicContact CD2-CD2 4.31Å; F214-P216 HydrophobicContact CE1-CB 3.92Å; F214-P216 HydrophobicContact CE1-CG 4.34Å
215	F	91.7	Very high	93.7	Very high	47 Å²	47	26.6 Å²	26.6	21%	0.206	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	111.9	179.4	-54.6	-82.7	0	0	0	109.4	L145 N208 K209 E213	L145-F215 HydrophobicContact CD1-CB 4.04Å; L145-F215 VanDerWaalsContact CD1-O 3.3Å; L145-F215 WeakPolarHBondContact CD1-O 3.4Å; L145-F215 HydrophobicContact CD2-CB 3.78Å; L145-F215 HydrophobicContact CD2-CG 4.49Å; N208-F215 WeakPolarHBondContact CA-O 3.07Å; K209-F215 HydrophobicContact CB-CB 4.39Å; K209-F215 PolarHBondContact N-O 2.72Å; K209-F215 PolarHBondContact O-N 2.9Å; E213-F215 HydrophobicContact CB-CE2 4.07Å; E213-F215 HydrophobicContact CB-CZ 3.91Å
216	P	94.2	Very high	93.6	Very high	33 Å²	33	24.2 Å²	24.2	21%	0.214	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-82.4	160.6	173.6	33.4	-33.6	0	0	0	112.4	P73 N208 F214 L218	P73-P216 HydrophobicContact CB-CB 3.96Å; N208-P216 VanDerWaalsContact OD1-CA 3.27Å; N208-P216 WeakPolarHBondContact OD1-CA 3.35Å; F214-P216 HydrophobicContact CE1-CB 3.92Å; F214-P216 HydrophobicContact CE1-CG 4.34Å; P216-L218 HydrophobicContact CB-CD2 4.23Å; P216-L218 HydrophobicContact CG-CD2 4.08Å
217	T	95.8	Very high	93.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-100.1	131.7	151.7	-58	0	0	0	0	107.6	E141 S143 I149 L206 K207 N208	E141-T217 HydrophobicContact CB-CG2 4.29Å; E141-T217 WeakPolarHBondContact O-CG2 3.13Å; S143-T217 WeakPolarHBondContact CB-OG1 3.21Å; S143-T217 PolarHBondContact OG-OG1 3.43Å; I149-T217 HydrophobicContact CB-CG2 4.26Å; I149-T217 HydrophobicContact CD1-CG2 4.31Å; L206-T217 HydrophobicContact CD2-CG2 3.71Å; K207-T217 PolarHBondContact O-OG1 3Å; N208-T217 PolarHBondContact OD1-N 2.85Å
218	L	96.6	Very high	92.7	Very high	20 Å²	20	29.9 Å²	29.9	11%	0.105	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-95.3	159.4	-176.7	-58.7	177.8	0	0	0	113.9	H47 V49 P56 Y140 E141 W183 P216	H47-L218 HydrophobicContact CB-CD2 4.12Å; V49-L218 HydrophobicContact CG1-CD1 4.5Å; P56-L218 HydrophobicContact CG-CD1 3.51Å; Y140-L218 WeakPolarHBondContact CA-O 3.27Å; E141-L218 HydrophobicContact CB-CB 4.24Å; E141-L218 PolarHBondContact N-O 3.44Å; E141-L218 WeakPolarHBondContact OE2-CB 3.39Å; E141-L218 WeakPolarHBondContact OE2-CG 3.3Å; E141-L218 PolarHBondContact OE2-N 3.29Å; W183-L218 HydrophobicContact CH2-CB 3.91Å; W183-L218 HydrophobicContact CZ3-CB 4.27Å; P216-L218 HydrophobicContact CB-CD2 4.23Å; P216-L218 HydrophobicContact CG-CD2 4.08Å
219	V	96.9	Very high	92.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	153.5	172.3	-75	0	0	0	0	112.5	P46 H47 W139 Y150 L206	P46-V219 HydrophobicContact CG-CG2 4.26Å; H47-V219 PolarHBondContact CD2-O 3.38Å; W139-V219 CarbonylContact O-C 3.59Å; W139-V219 VanDerWaalsContact O-CA 3.23Å; W139-V219 WeakPolarHBondContact O-CA 3.42Å; Y150-V219 HydrophobicContact CE2-CG1 4.21Å; L206-V219 HydrophobicContact CD1-CB 4.16Å; L206-V219 HydrophobicContact CD1-CG1 3.58Å; L206-V219 HydrophobicContact CD1-CG2 3.62Å; L206-V219 HydrophobicContact CD2-CG1 3.44Å; L206-V219 VanDerWaalsContact CD2-CG1 3.44Å; L206-V219 HydrophobicContact CG-CG1 3.91Å
220	T	97.6	Very high	91.4	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.012	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	174.5	170	-169.5	0	0	0	0	111.9	P44 A45 V49 Q51 W139 W183 S222	P44-T220 CarbonylContact O-C 3.6Å; A45-T220 VanDerWaalsContact CB-OG1 3.32Å; A45-T220 WeakPolarHBondContact CB-OG1 3.33Å; V49-T220 HydrophobicContact CG2-CG2 4.3Å; V49-T220 WeakPolarHBondContact O-CB 3.3Å; V49-T220 PolarHBondContact O-OG1 2.75Å; Q51-T220 HydrophobicContact CB-CG2 4.04Å; Q51-T220 VanDerWaalsContact N-CG2 3.32Å; W139-T220 HydrophobicContact CB-CG2 4.41Å; W139-T220 WeakPolarHBondContact CB-O 3.44Å; W139-T220 PolarHBondContact N-O 2.99Å; W139-T220 PolarHBondContact O-N 3.4Å; W183-T220 HydrophobicContact CD2-CG2 4.28Å; W183-T220 HydrophobicContact CE3-CG2 4.11Å; W183-T220 HydrophobicContact CH2-CG2 3.93Å; W183-T220 HydrophobicContact CZ2-CG2 4.05Å; W183-T220 HydrophobicContact CZ3-CG2 3.94Å; T220-S222 PolarHBondContact O-N 2.93Å; T220-S222 VanDerWaalsContact O-N 3.17Å
221	G	96.8	Very high	90.8	Very high	11 Å²	11	33.7 Å²	33.7	11%	0.113	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	66.4	14.7	177.7	0	0	0	0	0	114.5	P44 T223	P44-G221 PolarHBondContact O-N 3.37Å; G221-T223 PolarHBondContact O-N 3.43Å; G221-T223 VanDerWaalsContact O-N 3.13Å; G221-T223 PolarHBondContact O-OG1 2.79Å
222	S	97.9	Very high	89.5	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	116.1	-176.3	-48	0	0	0	0	110.5	N39 P44 D138 H204 T220	N39-S222 PolarHBondContact ND2-O 3.42Å; P44-S222 WeakPolarHBondContact CB-O 3.49Å; P44-S222 PolarHBondContact O-N 2.74Å; P44-S222 VanDerWaalsContact O-N 3.12Å; D138-S222 VanDerWaalsContact OD1-CA 3.28Å; D138-S222 WeakPolarHBondContact OD1-CA 3.41Å; D138-S222 VanDerWaalsContact OD1-CB 3.27Å; D138-S222 WeakPolarHBondContact OD1-CB 3.38Å; D138-S222 PolarHBondContact OD1-OG 2.97Å; H204-S222 PolarHBondContact CE1-OG 2.97Å; T220-S222 PolarHBondContact O-N 2.93Å; T220-S222 VanDerWaalsContact O-N 3.17Å
223	T	97.7	Very high	87.7	Confident	26 Å²	26	38.5 Å²	38.5	16%	0.16	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	131.1	-167.5	-55.7	0	0	0	0	112.5	N39 I136 K137 G221 L225	N39-T223 HydrophobicContact CB-CG2 4.08Å; N39-T223 WeakPolarHBondContact OD1-CA 3.49Å; I136-T223 WeakPolarHBondContact CA-O 3.44Å; K137-T223 PolarHBondContact N-O 3.44Å; K137-T223 PolarHBondContact O-N 3.17Å; G221-T223 PolarHBondContact O-N 3.43Å; G221-T223 VanDerWaalsContact O-N 3.13Å; G221-T223 PolarHBondContact O-OG1 2.79Å; T223-L225 HydrophobicContact CG2-CD1 4.28Å; T223-L225 HydrophobicContact CG2-CD2 3.43Å; T223-L225 VanDerWaalsContact CG2-CD2 3.43Å; T223-L225 HydrophobicContact CG2-CG 3.56Å
224	V	98.1	Very high	85.2	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	117.7	163.3	175.7	0	0	0	0	107.9	N39 L40 L41 I134 V135 I136 V200 F202	N39-V224 PolarHBondContact OD1-N 3.28Å; N39-V224 PolarHBondContact OD1-O 3.11Å; L40-V224 HydrophobicContact CB-CB 4.41Å; L40-V224 HydrophobicContact CB-CG1 4.42Å; L40-V224 PolarHBondContact N-O 2.65Å; L41-V224 HydrophobicContact CD1-CG2 3.88Å; L41-V224 HydrophobicContact CD2-CG2 4.07Å; L41-V224 HydrophobicContact CG-CB 4.13Å; L41-V224 HydrophobicContact CG-CG2 3.73Å; I134-V224 HydrophobicContact CG2-CG1 4.08Å; V135-V224 WeakPolarHBondContact O-CA 3.31Å; I136-V224 HydrophobicContact CD1-CG1 4.37Å; I136-V224 HydrophobicContact CD1-CG2 3.91Å; V200-V224 HydrophobicContact CB-CG1 4.5Å; V200-V224 HydrophobicContact CG1-CG1 4.29Å; V200-V224 HydrophobicContact CG1-CG2 4.24Å; V200-V224 HydrophobicContact CG2-CG1 4.28Å; F202-V224 HydrophobicContact CD2-CG2 3.95Å
225	L	96.9	Very high	82.4	Confident	33 Å²	33	52.3 Å²	52.3	17%	0.173	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	139.2	174.9	-52	177.3	0	0	0	110.1	R38 I134 V135 T223	R38-L225 VanDerWaalsContact O-CD2 3.23Å; R38-L225 WeakPolarHBondContact O-CD2 3.31Å; I134-L225 WeakPolarHBondContact CA-O 3.48Å; V135-L225 HydrophobicContact CB-CB 4.31Å; V135-L225 PolarHBondContact N-O 3.24Å; V135-L225 PolarHBondContact O-N 2.59Å; T223-L225 HydrophobicContact CG2-CD1 4.28Å; T223-L225 HydrophobicContact CG2-CD2 3.43Å; T223-L225 VanDerWaalsContact CG2-CD2 3.43Å; T223-L225 HydrophobicContact CG2-CG 3.56Å
226	V	95.6	Very high	79.5	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	131.1	161.3	-177	0	0	0	0	108.4	F36 G37 L40 L117 V122 P132 I134	F36-V226 WeakPolarHBondContact CA-O 3.47Å; F36-V226 HydrophobicContact CD1-CB 4.42Å; F36-V226 HydrophobicContact CD1-CG1 3.93Å; F36-V226 HydrophobicContact CE1-CG1 3.88Å; G37-V226 PolarHBondContact N-O 3.05Å; L40-V226 HydrophobicContact CD1-CG2 3.85Å; L117-V226 HydrophobicContact CD2-CG2 4.1Å; V122-V226 HydrophobicContact CG1-CG1 4.34Å; V122-V226 HydrophobicContact CG2-CG2 4.15Å; P132-V226 HydrophobicContact CB-CG1 3.85Å; P132-V226 HydrophobicContact CG-CG1 3.78Å; I134-V226 HydrophobicContact CG1-CG2 4.44Å
227	K	91.4	Very high	76.7	Confident	85 Å²	85	67.5 Å²	67.5	37%	0.37	35%	0.351	S	S	.	.			trans	-112.3	142.9	175.7	-65.9	-178.5	177.7	174.3	0	110.6	P132 D133 V135 S229	P132-K227 WeakPolarHBondContact CB-O 3.48Å; D133-K227 HydrophobicContact CB-CB 4.3Å; D133-K227 PolarHBondContact O-N 2.87Å; V135-K227 HydrophobicContact CG2-CD 3.77Å; V135-K227 HydrophobicContact CG2-CG 4.21Å; K227-S229 WeakPolarHBondContact CB-OG 3.15Å; K227-S229 PolarHBondContact O-N 2.98Å
228	P	83.1	Confident	75.7	Confident	51 Å²	51	70.9 Å²	70.9	33%	0.331	37%	0.369	S	S	.	.	S	Bend	trans	-75	17.4	176.4	34	-36.1	0	0	0	112.9	I16 F36 F130	I16-P228 HydrophobicContact CD1-CB 4.18Å; I16-P228 HydrophobicContact CG1-CB 4.07Å; F36-P228 HydrophobicContact CD1-CB 4.22Å; F36-P228 HydrophobicContact CE1-CB 4.35Å; F36-P228 HydrophobicContact CG-CB 4.42Å; F130-P228 WeakPolarHBondContact CZ-O 3.45Å
229	S	82.5	Confident	74.6	Confident	52 Å²	52	73.6 Å²	73.6	36%	0.364	38%	0.383	S	S	.	.	S	Bend	trans	-108.1	160.6	179.9	58.9	0	0	0	0	111	D133 K227	D133-S229 PolarHBondContact N-O 3.12Å; D133-S229 PolarHBondContact OD2-OG 3.2Å; D133-S229 VanDerWaalsContact OD2-OG 3.09Å; K227-S229 WeakPolarHBondContact CB-OG 3.15Å; K227-S229 PolarHBondContact O-N 2.98Å
230	K	78.1	Confident	73.4	Confident	83 Å²	83	77.7 Å²	77.7	36%	0.361	40%	0.404	S	S	.	.			trans	-109.2	133.5	157.5	-74	-179.8	173.3	-73	0	109.4	F130 D133 D192 S232	F130-K230 HydrophobicContact CE1-CG 4.39Å; F130-K230 HydrophobicContact CZ-CG 4.27Å; F130-K230 WeakPolarHBondContact O-CE 3.47Å; F130-K230 PolarHBondContact O-NZ 2.97Å; D133-K230 WeakPolarHBondContact OD1-CA 3.32Å; D192-K230 IonicContact OD1-NZ 2.7Å; D192-K230 PolarHBondContact OD1-NZ 3.47Å; K230-S232 PolarHBondContact O-N 3.17Å
231	S	75.6	Confident	72	Confident	53 Å²	53	82.1 Å²	82.1	37%	0.371	43%	0.427	S	S	.	.			trans	-84	100.8	169.1	-68	0	0	0	0	108.7	D133 Q233	D133-S231 PolarHBondContact OD1-N 2.76Å; D133-S231 PolarHBondContact OD2-N 3.43Å; D133-S231 PolarHBondContact OD2-OG 2.83Å; S231-Q233 PolarHBondContact O-N 2.91Å; S231-Q233 VanDerWaalsContact O-N 3.08Å
232	S	55.9	Low	70.4	Confident	111 Å²	111	86.6 Å²	86.6	78%	0.776	45%	0.446	S	S	*	.			trans	-56.1	116.3	168.2	-72.6	0	0	0	0	108.9	K230 Q234	K230-S232 PolarHBondContact O-N 3.17Å; S232-Q234 PolarHBondContact O-N 2.96Å
233	Q	44.3	Very low	68.6	Low	142 Å²	142	92.3 Å²	92.3	66%	0.664	48%	0.476	S	S	*	.			trans	-58.8	110.2	172.3	-67	-169.4	5.3	0	0	109	S231 K235	S231-Q233 PolarHBondContact O-N 2.91Å; S231-Q233 VanDerWaalsContact O-N 3.08Å; Q233-K235 VanDerWaalsContact C-N 3.29Å; Q233-K235 PolarHBondContact O-N 2.85Å
234	Q	33.9	Very low	66.5	Low	184 Å²	184	97.1 Å²	97.1	86%	0.86	50%	0.499	S	S	*	.			trans	-65.1	99.9	160	-76.9	-175	-7.2	0	0	106.4	S232 T236	S232-Q234 PolarHBondContact O-N 2.96Å; Q234-T236 VanDerWaalsContact C-N 3.28Å; Q234-T236 PolarHBondContact O-N 3.36Å
235	K	30	Very low	64.1	Low	166 Å²	166	104.5 Å²	104.5	72%	0.722	54%	0.537	S	S	*	.			trans	-63	95.8	165.2	-71.8	-176.5	176.1	-177.3	0	107.3	Q233 F237	Q233-K235 VanDerWaalsContact C-N 3.29Å; Q233-K235 PolarHBondContact O-N 2.85Å; K235-F237 WeakPolarHBondContact O-CD2 3.47Å; K235-F237 PolarHBondContact O-N 3.46Å
236	T	31.6	Very low	61.4	Low	139 Å²	139	110.5 Å²	110.5	85%	0.853	57%	0.568	S	S	*	*			trans	-62.2	119	162.5	-40	0	0	0	0	106.7	Q234	Q234-T236 VanDerWaalsContact C-N 3.28Å; Q234-T236 PolarHBondContact O-N 3.36Å
237	F	34.3	Very low	58.2	Low	260 Å²	260	120.5 Å²	120.5	100%	1.14	62%	0.619	S	S	*	*			trans	-82.2	0	174	-75.7	-93.2	0	0	0	110.5	K235	K235-F237 WeakPolarHBondContact O-CD2 3.47Å; K235-F237 PolarHBondContact O-N 3.46Å

Retrieved 237 of 237 residues in 414.3 ms (Link to these results)

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