A0A5K4FA28_SCHMA Loading...

N-acetyltransferase domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FA28, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 229 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	24.4	Very low	35.5	Very low	132 Å²	132	151.7 Å²	151.7	65%	0.65	75%	0.746	S	S	*	*				0	89.3	0	-179.6	174	165.7	0	0	109	L3 F180	M1-L3 HydrophobicContact CE-CD1 3.19Å; M1-L3 HydrophobicContact CE-CD2 3.95Å; M1-L3 HydrophobicContact CE-CG 3.4Å; M1-L3 HydrophobicContact CG-CD2 4.48Å; M1-L3 HydrophobicContact CG-CG 3.95Å; M1-F180 HydrophobicContact CE-CE1 3.85Å; M1-F180 HydrophobicContact CE-CZ 4.32Å; M1-F180 HydrophobicContact SD-CE1 4.38Å
2	H	23.5	Very low	37.9	Very low	175 Å²	175	146.5 Å²	146.5	81%	0.81	72%	0.724	S	S	*	*			trans	-86.3	103.3	151.5	-82.4	-73.4	0	0	0	104.5	L4	H2-L4 HydrophobicContact CB-CD1 4.26Å; H2-L4 HydrophobicContact CB-CG 4.21Å; H2-L4 PolarHBondContact O-N 3.33Å
3	L	30.7	Very low	41.4	Very low	118 Å²	118	138.2 Å²	138.2	62%	0.618	69%	0.686	S	S	*	*			trans	-71.8	77.3	161.2	-76.1	175.8	0	0	0	106.4	M1	M1-L3 HydrophobicContact CE-CD1 3.19Å; M1-L3 HydrophobicContact CE-CD2 3.95Å; M1-L3 HydrophobicContact CE-CG 3.4Å; M1-L3 HydrophobicContact CG-CD2 4.48Å; M1-L3 HydrophobicContact CG-CG 3.95Å
4	L	28.9	Very low	45	Very low	140 Å²	140	128.9 Å²	128.9	73%	0.733	64%	0.639	S	S	*	*			trans	-101.1	129.2	166	-77.6	172.6	0	0	0	107.5	H2	H2-L4 HydrophobicContact CB-CD1 4.26Å; H2-L4 HydrophobicContact CB-CG 4.21Å; H2-L4 PolarHBondContact O-N 3.33Å
5	R	29.1	Very low	47.8	Very low	223 Å²	223	129.5 Å²	129.5	84%	0.842	63%	0.632	S	S	*	*			trans	90.6	101.4	144.8	-159.5	172.4	172.1	161.7	-0.5	116
6	E	33.7	Very low	50.1	Low	164 Å²	164	123.1 Å²	123.1	77%	0.766	60%	0.602	S	S	*	*	S	Bend		-153.7	121.5	107.4	-105.5	168.1	179.4	0	0	110.3
7	D	32.4	Very low	52	Low	146 Å²	146	120 Å²	120	78%	0.781	59%	0.588	S	S	*	*	S	Bend	trans	68.9	73.6	153.2	-52.3	-17.5	0	0	0	121.2
8	D	37.3	Very low	53.3	Low	138 Å²	138	118.3 Å²	118.3	74%	0.738	58%	0.579	S	S	*	*				-170.1	146.3	115.1	-148.7	-11.1	0	0	0	108.3	D10	D8-D10 PolarHBondContact O-N 2.67Å
9	E	41	Very low	54.4	Low	175 Å²	175	112.5 Å²	112.5	82%	0.818	55%	0.55	S	S	*	*	S	Bend	trans	-61	108.1	173.7	-74.6	-178.5	154	0	0	110.2	T11	E9-T11 PolarHBondContact O-N 2.99Å
10	D	53	Low	55.4	Low	167 Å²	167	110.3 Å²	110.3	89%	0.893	54%	0.539	S	S	*	.	S	Bend	trans	37.2	47.6	153.7	-81.4	-25.5	0	0	0	119.8	D8	D8-D10 PolarHBondContact O-N 2.67Å
11	T	56.4	Low	56.2	Low	91 Å²	91	108.1 Å²	108.1	56%	0.558	53%	0.532	S	S	*	.			trans	-133.9	-28.8	167.4	63.9	0	0	0	0	116.1	E9 T13	E9-T11 PolarHBondContact O-N 2.99Å; T11-T13 PolarHBondContact O-N 3.16Å; T11-T13 VanDerWaalsContact O-N 3.11Å
12	N	64.9	Low	58.9	Low	89 Å²	89	106.5 Å²	106.5	48%	0.476	53%	0.53	S	S	.	.			trans	-81.7	99.9	180	-163.8	1.8	0	0	0	111.2	F14 H93	N12-F14 PolarHBondContact OD1-N 3.44Å; N12-H93 PolarHBondContact ND2-O 2.76Å
13	T	83.1	Confident	61.8	Low	39 Å²	39	98.4 Å²	98.4	24%	0.239	49%	0.493	C	S	.	.			trans	-89.8	-7.6	-178.6	59.5	0	0	0	0	113.2	T11 R15 W28 R29	T11-T13 PolarHBondContact O-N 3.16Å; T11-T13 VanDerWaalsContact O-N 3.11Å; T13-R15 PolarHBondContact O-N 3.45Å; T13-W28 WeakPolarHBondContact O-CA 3.3Å; T13-R29 VanDerWaalsContact CB-N 3.29Å; T13-R29 HydrophobicContact CG2-CB 3.51Å; T13-R29 HydrophobicContact CG2-CG 4.47Å; T13-R29 WeakPolarHBondContact OG1-CB 3.49Å; T13-R29 PolarHBondContact OG1-N 3.21Å
14	F	90.9	Very high	64.4	Low	7 Å²	7	92.8 Å²	92.8	3%	0.031	46%	0.463	C	S	.	.			trans	-81.7	109.8	-178.3	-177.8	-137.3	0	0	0	110.5	N12 F26 E27 W28 L41 A77 Y92 M94	N12-F14 PolarHBondContact OD1-N 3.44Å; F14-F26 HydrophobicContact CD2-CB 4.24Å; F14-F26 HydrophobicContact CD2-CD1 4.25Å; F14-F26 HydrophobicContact CE1-CD1 4.4Å; F14-F26 HydrophobicContact CE2-CB 3.52Å; F14-F26 AromaticContact CE2-CD1 3.39Å; F14-F26 HydrophobicContact CE2-CD1 3.39Å; F14-F26 HydrophobicContact CE2-CE1 4.28Å; F14-F26 AromaticContact CE2-CG 3.67Å; F14-F26 HydrophobicContact CE2-CG 3.67Å; F14-F26 HydrophobicContact CZ-CB 4.35Å; F14-F26 AromaticContact CZ-CD1 3.47Å; F14-F26 HydrophobicContact CZ-CD1 3.47Å; F14-F26 VanDerWaalsContact CZ-CD1 3.47Å; F14-F26 AromaticContact CZ-CE1 3.89Å; F14-F26 HydrophobicContact CZ-CE1 3.89Å; F14-F26 HydrophobicContact CZ-CG 4.01Å; F14-E27 CarbonylContact C-O 3.56Å; F14-E27 VanDerWaalsContact CA-O 3.29Å; F14-E27 WeakPolarHBondContact CA-O 3.44Å; F14-W28 HydrophobicContact CB-CB 4.32Å; F14-W28 HydrophobicContact CD2-CB 4.16Å; F14-W28 HydrophobicContact CD2-CE3 4.23Å; F14-W28 HydrophobicContact CE2-CE3 4.26Å; F14-L41 HydrophobicContact CE2-CD2 3.66Å; F14-L41 HydrophobicContact CZ-CD2 3.99Å; F14-A77 HydrophobicContact CD1-CB 4.4Å; F14-A77 HydrophobicContact CD2-CB 3.9Å; F14-A77 HydrophobicContact CE1-CB 4.38Å; F14-A77 HydrophobicContact CE2-CB 3.83Å; F14-A77 HydrophobicContact CG-CB 4.19Å; F14-A77 HydrophobicContact CZ-CB 4.1Å; F14-Y92 HydrophobicContact CB-CD2 4.43Å; F14-Y92 HydrophobicContact CB-CG 4.17Å; F14-M94 HydrophobicContact CD1-CB 3.44Å; F14-M94 VanDerWaalsContact CD1-CB 3.44Å; F14-M94 HydrophobicContact CE1-CB 3.66Å; F14-M94 HydrophobicContact CG-CB 4.35Å
15	R	88	Confident	67.1	Low	139 Å²	139	86.2 Å²	86.2	53%	0.525	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	152.8	-174.8	65.8	-174	-172.2	-157.4	-5.8	112.2	T13 I17 F26 E27	T13-R15 PolarHBondContact O-N 3.45Å; R15-I17 HydrophobicContact CG-CG2 4.32Å; R15-F26 CarbonylContact O-C 3.55Å; R15-F26 VanDerWaalsContact O-CA 3.25Å; R15-F26 WeakPolarHBondContact O-CA 3.14Å; R15-E27 HydrophobicContact CG-CG 3.37Å; R15-E27 IonicContact CZ-OE1 3.02Å; R15-E27 IonicContact CZ-OE2 2.85Å; R15-E27 VanDerWaalsContact CZ-OE2 3.26Å; R15-E27 PolarHBondContact N-O 2.79Å; R15-E27 IonicContact NE-OE1 3.97Å; R15-E27 PolarHBondContact NE-OE1 3.25Å; R15-E27 IonicContact NE-OE2 2.67Å; R15-E27 PolarHBondContact NE-OE2 3.25Å; R15-E27 IonicContact NH2-OE1 2.72Å; R15-E27 PolarHBondContact NH2-OE1 3.37Å; R15-E27 IonicContact NH2-OE2 3.05Å; R15-E27 PolarHBondContact NH2-OE2 3.1Å; R15-E27 PolarHBondContact O-N 3.11Å
16	V	84.3	Confident	70	Confident	26 Å²	26	75.7 Å²	75.7	16%	0.158	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	126.9	167.2	174.4	0	0	0	0	108.2	E19 A25 F26 M94 Y96	V16-E19 HydrophobicContact CG1-CG 4.42Å; V16-A25 WeakPolarHBondContact CA-O 2.98Å; V16-F26 HydrophobicContact CG2-CD1 3.78Å; V16-F26 HydrophobicContact CG2-CE1 3.43Å; V16-F26 VanDerWaalsContact CG2-CE1 3.43Å; V16-F26 HydrophobicContact CG2-CZ 4.06Å; V16-M94 HydrophobicContact CB-CE 4.22Å; V16-M94 HydrophobicContact CG2-CE 3.78Å; V16-M94 HydrophobicContact CG2-SD 3.93Å; V16-Y96 HydrophobicContact CB-CD2 4.39Å; V16-Y96 HydrophobicContact CB-CE2 4.18Å; V16-Y96 HydrophobicContact CG2-CD1 4.39Å; V16-Y96 HydrophobicContact CG2-CD2 3.94Å; V16-Y96 HydrophobicContact CG2-CE2 4.16Å; V16-Y96 HydrophobicContact CG2-CG 4.06Å
17	I	82.1	Confident	72.8	Confident	71 Å²	71	70.4 Å²	70.4	36%	0.364	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-27.2	177.1	64.6	177.7	0	0	0	112.1	R15 A25 E27 I60	R15-I17 HydrophobicContact CG-CG2 4.32Å; I17-A25 HydrophobicContact CD1-CB 4.03Å; I17-A25 HydrophobicContact CG1-CB 3.55Å; I17-A25 PolarHBondContact N-O 2.79Å; I17-E27 HydrophobicContact CG2-CB 3.68Å; I17-E27 HydrophobicContact CG2-CG 3.36Å; I17-E27 WeakPolarHBondContact CG2-OE2 3.19Å; I17-I60 HydrophobicContact CD1-CD1 4.24Å; I17-I60 HydrophobicContact CD1-CG1 4.42Å; I17-I60 HydrophobicContact CD1-CG2 3.9Å
18	Q	75.1	Confident	75.6	Confident	89 Å²	89	63.6 Å²	63.6	42%	0.416	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	137.1	-177.4	-169.5	-177.7	15.6	0	0	109.5	A25 L182	Q18-A25 HydrophobicContact CB-CB 3.92Å; Q18-A25 PolarHBondContact N-O 3.35Å; Q18-A25 PolarHBondContact O-N 2.84Å; Q18-L182 HydrophobicContact CG-CD1 4.32Å
19	E	75.3	Confident	78.1	Confident	8 Å²	8	64 Å²	64	4%	0.037	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	140	160.7	-36.4	-179.4	172.1	0	0	110.2	V16 M24 Y96 R98 R101 L182	V16-E19 HydrophobicContact CG1-CG 4.42Å; E19-M24 HydrophobicContact CB-CG 4.37Å; E19-M24 HydrophobicContact CG-SD 4.46Å; E19-Y96 WeakPolarHBondContact OE1-CE1 3.4Å; E19-Y96 PolarHBondContact OE1-OH 3.27Å; E19-R98 WeakPolarHBondContact OE2-CD 3.47Å; E19-R101 IonicContact OE2-CZ 3.3Å; E19-R101 IonicContact OE2-NE 2.84Å; E19-R101 IonicContact OE2-NH2 2.86Å; E19-R101 PolarHBondContact OE2-NH2 3.09Å; E19-L182 HydrophobicContact CB-CD1 3.72Å; E19-L182 HydrophobicContact CG-CD1 4.15Å; E19-L182 WeakPolarHBondContact O-CD1 3.5Å
20	Q	73.8	Confident	80.3	Confident	68 Å²	68	64 Å²	64	32%	0.318	31%	0.312	S	S	.	.			trans	-113.7	171.7	173.7	-57.7	-178.1	6.5	0	0	109.8	T22 A23 I66 R101	Q20-T22 PolarHBondContact O-N 3.43Å; Q20-A23 CarbonylContact C-O 3.53Å; Q20-A23 WeakPolarHBondContact CA-O 3.49Å; Q20-A23 HydrophobicContact CB-CB 4.39Å; Q20-A23 WeakPolarHBondContact CB-O 3.22Å; Q20-A23 PolarHBondContact N-O 2.93Å; Q20-I66 WeakPolarHBondContact O-CD1 3.08Å; Q20-R101 VanDerWaalsContact O-CZ 3.3Å; Q20-R101 PolarHBondContact O-NH1 3.05Å; Q20-R101 VanDerWaalsContact O-NH1 3.09Å; Q20-R101 PolarHBondContact O-NH2 3.21Å
21	T	72.2	Confident	82	Confident	66 Å²	66	56.5 Å²	56.5	41%	0.405	27%	0.272	S	S	.	.	S	Bend	trans	-54.1	-40.5	178.9	-54.2	0	0	0	0	112.3	I66 R101 T184	T21-I66 VanDerWaalsContact C-CD1 3.48Å; T21-I66 WeakPolarHBondContact O-CD1 3.42Å; T21-R101 PolarHBondContact O-NH1 3.47Å; T21-T184 HydrophobicContact CG2-CG2 4.24Å
22	T	81.7	Confident	83.5	Confident	97 Å²	97	57.7 Å²	57.7	60%	0.595	28%	0.279	S	S	*	.	S	Bend	trans	-128.2	8.5	-176.5	62.1	0	0	0	0	114.6	Q20	Q20-T22 PolarHBondContact O-N 3.43Å
23	A	84.9	Confident	84.7	Confident	5 Å²	5	56.7 Å²	56.7	4%	0.041	27%	0.272	C	S	.	.			trans	-148.5	165	179.4	0	0	0	0	0	111.7	Q20 L63 K64	Q20-A23 CarbonylContact C-O 3.53Å; Q20-A23 WeakPolarHBondContact CA-O 3.49Å; Q20-A23 HydrophobicContact CB-CB 4.39Å; Q20-A23 WeakPolarHBondContact CB-O 3.22Å; Q20-A23 PolarHBondContact N-O 2.93Å; A23-L63 CarbonylContact C-O 3.47Å; A23-L63 VanDerWaalsContact CA-O 3.27Å; A23-L63 WeakPolarHBondContact CA-O 3.32Å; A23-L63 WeakPolarHBondContact CB-O 3.33Å; A23-K64 HydrophobicContact CB-CG 4.48Å
24	M	84.1	Confident	85.1	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	138.2	164.1	-67.7	-165.9	-64.1	0	0	109.9	E19 F26 L62 L63 A65 I66 Y75 Y96	E19-M24 HydrophobicContact CB-CG 4.37Å; E19-M24 HydrophobicContact CG-SD 4.46Å; M24-F26 HydrophobicContact CB-CD2 4.33Å; M24-F26 HydrophobicContact CB-CE2 3.6Å; M24-F26 HydrophobicContact CB-CZ 4.03Å; M24-F26 HydrophobicContact CE-CE2 4.17Å; M24-F26 HydrophobicContact CE-CZ 3.62Å; M24-L62 WeakPolarHBondContact O-CA 3.41Å; M24-L63 PolarHBondContact N-O 2.87Å; M24-L63 PolarHBondContact O-N 3.17Å; M24-A65 WeakPolarHBondContact CE-O 3.29Å; M24-I66 HydrophobicContact CG-CG1 4.36Å; M24-Y75 HydrophobicContact CE-CD1 4.27Å; M24-Y75 HydrophobicContact CE-CE1 3.33Å; M24-Y75 HydrophobicContact CE-CE2 3.91Å; M24-Y75 WeakPolarHBondContact CE-OH 3.4Å; M24-Y96 HydrophobicContact SD-CD1 4.03Å; M24-Y96 HydrophobicContact SD-CE1 4.08Å
25	A	86.6	Confident	85.2	Confident	3 Å²	3	66.3 Å²	66.3	3%	0.025	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	129.3	172.2	0	0	0	0	0	109.3	V16 I17 Q18 G61 L62	V16-A25 WeakPolarHBondContact CA-O 2.98Å; I17-A25 HydrophobicContact CD1-CB 4.03Å; I17-A25 HydrophobicContact CG1-CB 3.55Å; I17-A25 PolarHBondContact N-O 2.79Å; Q18-A25 HydrophobicContact CB-CB 3.92Å; Q18-A25 PolarHBondContact N-O 3.35Å; Q18-A25 PolarHBondContact O-N 2.84Å; A25-G61 WeakPolarHBondContact CA-O 2.94Å; A25-L62 HydrophobicContact CB-CD2 3.48Å; A25-L62 VanDerWaalsContact CB-CD2 3.48Å
26	F	89.9	Confident	85.5	Confident	1 Å²	1	62.9 Å²	62.9	0%	0.004	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	149.8	175.7	-62.3	-96.7	0	0	0	109.8	F14 R15 V16 M24 W28 L41 I60 G61 L63 Y75 M94	F14-F26 HydrophobicContact CD2-CB 4.24Å; F14-F26 HydrophobicContact CD2-CD1 4.25Å; F14-F26 HydrophobicContact CE1-CD1 4.4Å; F14-F26 HydrophobicContact CE2-CB 3.52Å; F14-F26 AromaticContact CE2-CD1 3.39Å; F14-F26 HydrophobicContact CE2-CD1 3.39Å; F14-F26 HydrophobicContact CE2-CE1 4.28Å; F14-F26 AromaticContact CE2-CG 3.67Å; F14-F26 HydrophobicContact CE2-CG 3.67Å; F14-F26 HydrophobicContact CZ-CB 4.35Å; F14-F26 AromaticContact CZ-CD1 3.47Å; F14-F26 HydrophobicContact CZ-CD1 3.47Å; F14-F26 VanDerWaalsContact CZ-CD1 3.47Å; F14-F26 AromaticContact CZ-CE1 3.89Å; F14-F26 HydrophobicContact CZ-CE1 3.89Å; F14-F26 HydrophobicContact CZ-CG 4.01Å; R15-F26 CarbonylContact O-C 3.55Å; R15-F26 VanDerWaalsContact O-CA 3.25Å; R15-F26 WeakPolarHBondContact O-CA 3.14Å; V16-F26 HydrophobicContact CG2-CD1 3.78Å; V16-F26 HydrophobicContact CG2-CE1 3.43Å; V16-F26 VanDerWaalsContact CG2-CE1 3.43Å; V16-F26 HydrophobicContact CG2-CZ 4.06Å; M24-F26 HydrophobicContact CB-CD2 4.33Å; M24-F26 HydrophobicContact CB-CE2 3.6Å; M24-F26 HydrophobicContact CB-CZ 4.03Å; M24-F26 HydrophobicContact CE-CE2 4.17Å; M24-F26 HydrophobicContact CE-CZ 3.62Å; F26-W28 HydrophobicContact CB-CE3 4.36Å; F26-W28 HydrophobicContact CB-CZ3 4.22Å; F26-L41 HydrophobicContact CB-CD1 4.4Å; F26-L41 HydrophobicContact CB-CD2 4.48Å; F26-L41 HydrophobicContact CD2-CD1 4.36Å; F26-I60 CarbonylContact O-C 3.59Å; F26-I60 VanDerWaalsContact O-CA 3.23Å; F26-I60 WeakPolarHBondContact O-CA 3.35Å; F26-I60 WeakPolarHBondContact O-CG2 3.17Å; F26-G61 PolarHBondContact N-O 2.96Å; F26-G61 PolarHBondContact O-N 3.33Å; F26-L63 HydrophobicContact CD2-CB 4.33Å; F26-L63 HydrophobicContact CE2-CB 3.92Å; F26-L63 HydrophobicContact CE2-CD2 4.33Å; F26-Y75 HydrophobicContact CE1-CD1 4.07Å; F26-Y75 HydrophobicContact CE1-CD2 4.37Å; F26-Y75 AromaticContact CE1-CG 3.89Å; F26-Y75 HydrophobicContact CE1-CG 3.89Å; F26-Y75 HydrophobicContact CE2-CD1 4.32Å; F26-Y75 AromaticContact CZ-CD1 3.46Å; F26-Y75 HydrophobicContact CZ-CD1 3.46Å; F26-Y75 VanDerWaalsContact CZ-CD1 3.46Å; F26-Y75 HydrophobicContact CZ-CD2 4.37Å; F26-Y75 AromaticContact CZ-CE1 3.83Å; F26-Y75 HydrophobicContact CZ-CE1 3.83Å; F26-Y75 AromaticContact CZ-CG 3.77Å; F26-Y75 HydrophobicContact CZ-CG 3.77Å; F26-M94 HydrophobicContact CD1-SD 4.33Å; F26-M94 HydrophobicContact CE1-SD 4.17Å
27	E	90.9	Very high	85.9	Confident	53 Å²	53	62.2 Å²	62.2	25%	0.248	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	157	161.5	75.7	174.8	-102.7	0	0	110.8	F14 R15 I17 D59 I60	F14-E27 CarbonylContact C-O 3.56Å; F14-E27 VanDerWaalsContact CA-O 3.29Å; F14-E27 WeakPolarHBondContact CA-O 3.44Å; R15-E27 HydrophobicContact CG-CG 3.37Å; R15-E27 IonicContact CZ-OE1 3.02Å; R15-E27 IonicContact CZ-OE2 2.85Å; R15-E27 VanDerWaalsContact CZ-OE2 3.26Å; R15-E27 PolarHBondContact N-O 2.79Å; R15-E27 IonicContact NE-OE1 3.97Å; R15-E27 PolarHBondContact NE-OE1 3.25Å; R15-E27 IonicContact NE-OE2 2.67Å; R15-E27 PolarHBondContact NE-OE2 3.25Å; R15-E27 IonicContact NH2-OE1 2.72Å; R15-E27 PolarHBondContact NH2-OE1 3.37Å; R15-E27 IonicContact NH2-OE2 3.05Å; R15-E27 PolarHBondContact NH2-OE2 3.1Å; R15-E27 PolarHBondContact O-N 3.11Å; I17-E27 HydrophobicContact CG2-CB 3.68Å; I17-E27 HydrophobicContact CG2-CG 3.36Å; I17-E27 WeakPolarHBondContact CG2-OE2 3.19Å; E27-D59 CarbonylContact C-O 3.6Å; E27-D59 WeakPolarHBondContact CA-O 3.39Å; E27-I60 HydrophobicContact CB-CG1 3.96Å
28	W	91.2	Very high	86.5	Confident	4 Å²	4	60.1 Å²	60.1	2%	0.015	29%	0.289	C	S	.	.			trans	-149.1	157.5	173.1	55.2	94	0	0	0	110.1	T13 F14 F26 R30 V39 L41 V55 D59 A77 Y92	T13-W28 WeakPolarHBondContact O-CA 3.3Å; F14-W28 HydrophobicContact CB-CB 4.32Å; F14-W28 HydrophobicContact CD2-CB 4.16Å; F14-W28 HydrophobicContact CD2-CE3 4.23Å; F14-W28 HydrophobicContact CE2-CE3 4.26Å; F26-W28 HydrophobicContact CB-CE3 4.36Å; F26-W28 HydrophobicContact CB-CZ3 4.22Å; W28-R30 PolarHBondContact O-N 2.88Å; W28-V39 HydrophobicContact CZ2-CB 4.09Å; W28-V39 HydrophobicContact CZ2-CG1 3.93Å; W28-V39 HydrophobicContact CZ2-CG2 4.28Å; W28-L41 HydrophobicContact CE3-CD2 3.89Å; W28-L41 HydrophobicContact CH2-CD1 3.87Å; W28-L41 HydrophobicContact CH2-CD2 3.97Å; W28-L41 HydrophobicContact CH2-CG 4.01Å; W28-L41 HydrophobicContact CZ3-CD1 3.68Å; W28-L41 HydrophobicContact CZ3-CD2 3.53Å; W28-L41 HydrophobicContact CZ3-CG 3.94Å; W28-V55 HydrophobicContact CH2-CB 4.32Å; W28-V55 HydrophobicContact CH2-CG1 4.15Å; W28-V55 HydrophobicContact CH2-CG2 4.12Å; W28-V55 HydrophobicContact CZ2-CB 4.35Å; W28-V55 HydrophobicContact CZ2-CG1 4.11Å; W28-D59 PolarHBondContact N-O 3.35Å; W28-D59 WeakPolarHBondContact O-CB 3.35Å; W28-A77 HydrophobicContact CD2-CB 4.39Å; W28-A77 HydrophobicContact CG-CB 4.46Å; W28-Y92 HydrophobicContact CB-CD2 3.99Å; W28-Y92 HydrophobicContact CB-CE2 4.24Å
29	R	89.8	Confident	87.4	Confident	146 Å²	146	56 Å²	56	55%	0.551	27%	0.269	S	S	*	.			trans	-61.9	129.8	169.6	-176.7	177.4	74.1	-172.8	5.6	108.7	T13 L31	T13-R29 VanDerWaalsContact CB-N 3.29Å; T13-R29 HydrophobicContact CG2-CB 3.51Å; T13-R29 HydrophobicContact CG2-CG 4.47Å; T13-R29 WeakPolarHBondContact OG1-CB 3.49Å; T13-R29 PolarHBondContact OG1-N 3.21Å; R29-L31 PolarHBondContact O-N 3.49Å
30	R	88.3	Confident	88.3	Confident	175 Å²	175	58.1 Å²	58.1	66%	0.66	28%	0.277	S	S	*	.			trans	-43.8	117.9	178.5	-174.8	172.1	-176.2	158.4	-0.7	111.7	W28	W28-R30 PolarHBondContact O-N 2.88Å
31	L	87.7	Confident	89.2	Confident	9 Å²	9	54.9 Å²	54.9	5%	0.047	26%	0.263	C	S	.	.			trans	-73.5	127.2	175.5	-66.8	179.3	0	0	0	109.3	R29 F36 V39 F89 M90 Y92	R29-L31 PolarHBondContact O-N 3.49Å; L31-F36 HydrophobicContact CB-CE2 4.4Å; L31-V39 HydrophobicContact CD1-CG1 4.23Å; L31-V39 HydrophobicContact CD1-CG2 3.86Å; L31-F89 HydrophobicContact CB-CE2 4.08Å; L31-F89 HydrophobicContact CB-CZ 4.11Å; L31-M90 HydrophobicContact CD2-CB 3.96Å; L31-M90 HydrophobicContact CD2-CG 3.55Å; L31-Y92 HydrophobicContact CD2-CD2 3.97Å; L31-Y92 HydrophobicContact CD2-CE2 3.28Å; L31-Y92 HydrophobicContact CG-CE2 4.08Å
32	T	87.8	Confident	90.3	Very high	116 Å²	116	52.4 Å²	52.4	71%	0.712	25%	0.247	S	C	*	.			trans	-117.4	130	-178.4	55	0	0	0	0	110.6
33	H	90.5	Very high	90.8	Very high	69 Å²	69	48.7 Å²	48.7	32%	0.319	22%	0.223	S	C	.	.			trans	-153.6	147.8	173.4	-171.8	-95.7	0	0	0	108.8	N35 F36 T81 F89	H33-N35 PolarHBondContact ND1-N 2.87Å; H33-N35 PolarHBondContact O-N 3.43Å; H33-F36 HydrophobicContact CB-CB 4.47Å; H33-F36 WeakPolarHBondContact O-CB 3.4Å; H33-F36 PolarHBondContact O-N 2.89Å; H33-F36 VanDerWaalsContact O-N 3.11Å; H33-T81 WeakPolarHBondContact CE1-CG2 2.91Å; H33-T81 WeakPolarHBondContact ND1-CG2 3.4Å; H33-F89 HydrophobicContact CB-CD1 3.91Å; H33-F89 HydrophobicContact CB-CD2 3.86Å; H33-F89 HydrophobicContact CB-CE1 3.78Å; H33-F89 HydrophobicContact CB-CE2 3.79Å; H33-F89 HydrophobicContact CB-CG 3.96Å; H33-F89 HydrophobicContact CB-CZ 3.76Å; H33-F89 AromaticContact CD2-CG 3.89Å; H33-F89 AromaticContact CG-CD1 3.96Å; H33-F89 AromaticContact CG-CG 3.92Å
34	K	92.7	Very high	91	Very high	183 Å²	183	51.7 Å²	51.7	80%	0.796	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-37.4	-177.8	61	176.8	-178	-179.7	0	113.3
35	N	92.6	Very high	91.1	Very high	64 Å²	64	53.5 Å²	53.5	34%	0.342	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	39.4	179.9	-62.4	-10.5	0	0	0	110.5	H33 G37 T81 N82 D83	H33-N35 PolarHBondContact ND1-N 2.87Å; H33-N35 PolarHBondContact O-N 3.43Å; N35-G37 PolarHBondContact O-N 2.83Å; N35-T81 CarbonylContact O-C 3.44Å; N35-T81 WeakPolarHBondContact O-CA 3.43Å; N35-T81 WeakPolarHBondContact O-CB 3.47Å; N35-N82 PolarHBondContact O-N 2.66Å; N35-D83 PolarHBondContact ND2-OD1 3.16Å
36	F	92.9	Very high	90.8	Very high	67 Å²	67	57.8 Å²	57.8	29%	0.294	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.3	129.6	179.2	174.9	-87.5	0	0	0	111.2	L31 H33 V39 Y56 F89	L31-F36 HydrophobicContact CB-CE2 4.4Å; H33-F36 HydrophobicContact CB-CB 4.47Å; H33-F36 WeakPolarHBondContact O-CB 3.4Å; H33-F36 PolarHBondContact O-N 2.89Å; H33-F36 VanDerWaalsContact O-N 3.11Å; F36-V39 HydrophobicContact CE2-CG2 3.88Å; F36-V39 HydrophobicContact CZ-CG2 3.97Å; F36-Y56 WeakPolarHBondContact CE1-O 3.44Å; F36-F89 HydrophobicContact CD2-CE1 4.17Å; F36-F89 AromaticContact CD2-CZ 3.81Å; F36-F89 HydrophobicContact CD2-CZ 3.81Å; F36-F89 HydrophobicContact CE2-CZ 4.31Å
37	G	92.9	Very high	90.4	Very high	13 Å²	13	66.7 Å²	66.7	13%	0.134	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	-64.7	174.4	0	0	0	0	0	112.4	N35 Y80	N35-G37 PolarHBondContact O-N 2.83Å; G37-Y80 WeakPolarHBondContact CA-O 3.35Å; G37-Y80 PolarHBondContact N-O 2.78Å
38	Y	94.5	Very high	90	Very high	27 Å²	27	73.8 Å²	73.8	11%	0.106	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	169	-175	54.8	-89.1	0	0	0	111	Y40 K54 Y80	Y38-Y40 HydrophobicContact CD2-CD2 4.33Å; Y38-Y40 HydrophobicContact CD2-CE2 4.46Å; Y38-Y40 AromaticContact CE2-CD2 3.65Å; Y38-Y40 HydrophobicContact CE2-CD2 3.65Å; Y38-Y40 HydrophobicContact CE2-CE1 4.46Å; Y38-Y40 AromaticContact CE2-CE2 3.47Å; Y38-Y40 HydrophobicContact CE2-CE2 3.47Å; Y38-Y40 VanDerWaalsContact CE2-CE2 3.47Å; Y38-Y40 HydrophobicContact CE2-CG 4.22Å; Y38-Y40 AromaticContact CE2-CZ 3.91Å; Y38-K54 HydrophobicContact CD2-CD 4.41Å; Y38-K54 HydrophobicContact CD2-CG 4.25Å; Y38-K54 HydrophobicContact CE2-CD 4.44Å; Y38-K54 HydrophobicContact CE2-CG 4.5Å; Y38-Y80 HydrophobicContact CE2-CD2 4.03Å; Y38-Y80 AromaticContact CE2-CG 3.94Å; Y38-Y80 HydrophobicContact CE2-CG 3.94Å; Y38-Y80 PolarHBondContact N-O 3.16Å; Y38-Y80 PolarHBondContact O-N 2.82Å
39	V	94.4	Very high	89.8	Confident	1 Å²	1	81 Å²	81	1%	0.006	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	132.1	168.7	-177	0	0	0	0	108.8	W28 L31 F36 V55 A77 E78	W28-V39 HydrophobicContact CZ2-CB 4.09Å; W28-V39 HydrophobicContact CZ2-CG1 3.93Å; W28-V39 HydrophobicContact CZ2-CG2 4.28Å; L31-V39 HydrophobicContact CD1-CG1 4.23Å; L31-V39 HydrophobicContact CD1-CG2 3.86Å; F36-V39 HydrophobicContact CE2-CG2 3.88Å; F36-V39 HydrophobicContact CZ-CG2 3.97Å; V39-V55 HydrophobicContact CB-CB 4.41Å; V39-V55 PolarHBondContact N-O 2.79Å; V39-V55 PolarHBondContact O-N 2.97Å; V39-A77 HydrophobicContact CG1-CB 4.17Å; V39-E78 CarbonylContact C-O 3.57Å; V39-E78 WeakPolarHBondContact CA-O 3.39Å
40	Y	94.5	Very high	89.7	Confident	53 Å²	53	75.6 Å²	75.6	21%	0.208	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	131.3	160.2	-82.9	-61.9	0	0	0	109.2	Y38 L42 V53 K54 A77 E78 Y80	Y38-Y40 HydrophobicContact CD2-CD2 4.33Å; Y38-Y40 HydrophobicContact CD2-CE2 4.46Å; Y38-Y40 AromaticContact CE2-CD2 3.65Å; Y38-Y40 HydrophobicContact CE2-CD2 3.65Å; Y38-Y40 HydrophobicContact CE2-CE1 4.46Å; Y38-Y40 AromaticContact CE2-CE2 3.47Å; Y38-Y40 HydrophobicContact CE2-CE2 3.47Å; Y38-Y40 VanDerWaalsContact CE2-CE2 3.47Å; Y38-Y40 HydrophobicContact CE2-CG 4.22Å; Y38-Y40 AromaticContact CE2-CZ 3.91Å; Y40-L42 WeakPolarHBondContact O-CD1 3.24Å; Y40-V53 WeakPolarHBondContact CA-O 3.13Å; Y40-K54 HydrophobicContact CD1-CG 3.57Å; Y40-K54 HydrophobicContact CE1-CB 4.49Å; Y40-K54 HydrophobicContact CE1-CD 3.89Å; Y40-K54 HydrophobicContact CE1-CG 3.18Å; Y40-K54 WeakPolarHBondContact OH-CE 3.35Å; Y40-K54 PolarHBondContact OH-NZ 2.85Å; Y40-A77 CarbonylContact O-C 3.58Å; Y40-A77 WeakPolarHBondContact O-CA 3.4Å; Y40-E78 PolarHBondContact N-O 3.33Å; Y40-E78 PolarHBondContact O-N 2.87Å; Y40-Y80 AromaticContact CD2-CD2 3.73Å; Y40-Y80 HydrophobicContact CD2-CD2 3.73Å; Y40-Y80 AromaticContact CD2-CE2 3.5Å; Y40-Y80 HydrophobicContact CD2-CE2 3.5Å; Y40-Y80 VanDerWaalsContact CD2-CE2 3.5Å; Y40-Y80 HydrophobicContact CE2-CD2 4.4Å; Y40-Y80 HydrophobicContact CE2-CE2 4.23Å; Y40-Y80 HydrophobicContact CG-CE2 4.48Å
41	L	93.8	Very high	89.8	Confident	1 Å²	1	72 Å²	72	1%	0.005	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	131.7	157.2	-66.4	175.3	0	0	0	108.2	F14 F26 W28 T52 V53 V55 R76 A77	F14-L41 HydrophobicContact CE2-CD2 3.66Å; F14-L41 HydrophobicContact CZ-CD2 3.99Å; F26-L41 HydrophobicContact CB-CD1 4.4Å; F26-L41 HydrophobicContact CB-CD2 4.48Å; F26-L41 HydrophobicContact CD2-CD1 4.36Å; W28-L41 HydrophobicContact CE3-CD2 3.89Å; W28-L41 HydrophobicContact CH2-CD1 3.87Å; W28-L41 HydrophobicContact CH2-CD2 3.97Å; W28-L41 HydrophobicContact CH2-CG 4.01Å; W28-L41 HydrophobicContact CZ3-CD1 3.68Å; W28-L41 HydrophobicContact CZ3-CD2 3.53Å; W28-L41 HydrophobicContact CZ3-CG 3.94Å; L41-T52 CarbonylContact O-C 3.46Å; L41-T52 VanDerWaalsContact O-CA 3.27Å; L41-T52 WeakPolarHBondContact O-CA 3.37Å; L41-V53 HydrophobicContact CB-CG1 3.67Å; L41-V53 HydrophobicContact CD1-CG1 4.14Å; L41-V53 HydrophobicContact CG-CG1 4.35Å; L41-V53 PolarHBondContact N-O 2.61Å; L41-V53 PolarHBondContact O-N 2.84Å; L41-V55 HydrophobicContact CD1-CG2 4.18Å; L41-V55 HydrophobicContact CG-CG2 4.36Å; L41-R76 WeakPolarHBondContact CA-O 3Å; L41-A77 HydrophobicContact CD2-CB 3.72Å
42	L	94.3	Very high	90	Very high	13 Å²	13	75 Å²	75	7%	0.068	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	144	-177.1	-49	92.4	0	0	0	110.5	Y40 D50 E51 T52 Y75 R76 E78	Y40-L42 WeakPolarHBondContact O-CD1 3.24Å; L42-D50 HydrophobicContact CD2-CB 4.43Å; L42-E51 CarbonylContact C-O 3.56Å; L42-E51 VanDerWaalsContact CA-O 3.24Å; L42-E51 WeakPolarHBondContact CA-O 3.35Å; L42-T52 HydrophobicContact CB-CG2 4.12Å; L42-T52 HydrophobicContact CD2-CG2 3.52Å; L42-T52 HydrophobicContact CG-CG2 3.66Å; L42-Y75 CarbonylContact O-C 3.53Å; L42-Y75 WeakPolarHBondContact O-CA 3.45Å; L42-R76 HydrophobicContact CB-CB 4.41Å; L42-R76 HydrophobicContact CD1-CB 4.04Å; L42-R76 PolarHBondContact N-O 3.43Å; L42-R76 PolarHBondContact O-N 3.33Å; L42-E78 HydrophobicContact CD1-CB 4.08Å; L42-E78 HydrophobicContact CD1-CG 3.73Å
43	Q	92.4	Very high	90.3	Very high	20 Å²	20	71.6 Å²	71.6	9%	0.093	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	126.3	157.1	-177.7	-178	-11.2	0	0	108	V45 D50 E51 L63 A65 Y75	Q43-V45 PolarHBondContact O-N 2.89Å; Q43-D50 WeakPolarHBondContact O-CA 3.45Å; Q43-D50 WeakPolarHBondContact O-CB 3.36Å; Q43-E51 HydrophobicContact CB-CB 4.34Å; Q43-E51 PolarHBondContact N-O 3.14Å; Q43-E51 PolarHBondContact O-N 2.84Å; Q43-L63 HydrophobicContact CB-CD2 3.86Å; Q43-A65 HydrophobicContact CB-CB 4Å; Q43-A65 PolarHBondContact OE1-O 3.37Å; Q43-Y75 HydrophobicContact CB-CD1 3.7Å; Q43-Y75 HydrophobicContact CB-CE1 3.51Å; Q43-Y75 HydrophobicContact CG-CD1 3.95Å; Q43-Y75 HydrophobicContact CG-CE1 3.44Å; Q43-Y75 VanDerWaalsContact CG-CE1 3.44Å
44	N	89.8	Confident	90.4	Very high	68 Å²	68	72.4 Å²	72.4	36%	0.364	36%	0.355	S	S	.	.			trans	-70	118.4	171.5	-176.2	-7.7	0	0	0	109.1	D50 N74	N44-D50 WeakPolarHBondContact CA-OD1 3.26Å; N44-N74 HydrophobicContact CB-CB 4.08Å; N44-N74 PolarHBondContact N-O 2.98Å
45	V	85.6	Confident	90.3	Very high	37 Å²	37	64.6 Å²	64.6	22%	0.224	32%	0.323	C	S	.	.			trans	-108	107.9	176.4	-170.3	0	0	0	0	108.4	Q43 M47 W48 D50 E51	Q43-V45 PolarHBondContact O-N 2.89Å; V45-M47 PolarHBondContact O-N 2.96Å; V45-W48 HydrophobicContact CB-CB 4.07Å; V45-W48 HydrophobicContact CG1-CB 3.71Å; V45-W48 HydrophobicContact CG1-CG 4.22Å; V45-W48 PolarHBondContact O-N 2.94Å; V45-W48 VanDerWaalsContact O-O 3.13Å; V45-D50 PolarHBondContact N-OD1 2.79Å; V45-E51 HydrophobicContact CG2-CG 4.1Å
46	P	80.6	Confident	90	Very high	94 Å²	94	68.5 Å²	68.5	61%	0.61	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	130.1	-178.8	-25.7	34.1	0	0	0	111.8	W48	P46-W48 PolarHBondContact O-N 2.93Å
47	M	82.1	Confident	89.4	Confident	187 Å²	187	74.2 Å²	74.2	92%	0.921	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	9.2	-179.8	-50	175.7	-74	0	0	115.6	V45	V45-M47 PolarHBondContact O-N 2.96Å
48	W	82.5	Confident	88.9	Confident	203 Å²	203	75.1 Å²	75.1	77%	0.769	37%	0.368	S	S	*	.	S	Bend	trans	-132.7	174.4	177.9	-67.7	90.9	0	0	0	111.2	V45 P46	V45-W48 HydrophobicContact CB-CB 4.07Å; V45-W48 HydrophobicContact CG1-CB 3.71Å; V45-W48 HydrophobicContact CG1-CG 4.22Å; V45-W48 PolarHBondContact O-N 2.94Å; V45-W48 VanDerWaalsContact O-O 3.13Å; P46-W48 PolarHBondContact O-N 2.93Å
49	I	86.2	Confident	88.4	Confident	155 Å²	155	77.7 Å²	77.7	80%	0.795	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-69.6	133.9	170.8	-60.1	172.8	0	0	0	107.8	E51	I49-E51 PolarHBondContact O-N 3.41Å
50	D	88.3	Confident	88.1	Confident	33 Å²	33	81.9 Å²	81.9	18%	0.176	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-53.6	136.1	173.4	-76.3	7	0	0	0	110.6	L42 Q43 N44 V45 T52 R76	L42-D50 HydrophobicContact CD2-CB 4.43Å; Q43-D50 WeakPolarHBondContact O-CA 3.45Å; Q43-D50 WeakPolarHBondContact O-CB 3.36Å; N44-D50 WeakPolarHBondContact CA-OD1 3.26Å; V45-D50 PolarHBondContact N-OD1 2.79Å; D50-T52 HydrophobicContact CB-CG2 4.06Å; D50-T52 PolarHBondContact O-N 2.86Å; D50-R76 IonicContact OD2-CZ 3.86Å; D50-R76 IonicContact OD2-NH2 3.23Å; D50-R76 PolarHBondContact OD2-NH2 3.21Å
51	E	90.2	Very high	87.9	Confident	100 Å²	100	79.7 Å²	79.7	47%	0.467	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	127.4	168.2	-74	-67.7	169.6	0	0	108.4	L42 Q43 V45 I49 A65	L42-E51 CarbonylContact C-O 3.56Å; L42-E51 VanDerWaalsContact CA-O 3.24Å; L42-E51 WeakPolarHBondContact CA-O 3.35Å; Q43-E51 HydrophobicContact CB-CB 4.34Å; Q43-E51 PolarHBondContact N-O 3.14Å; Q43-E51 PolarHBondContact O-N 2.84Å; V45-E51 HydrophobicContact CG2-CG 4.1Å; I49-E51 PolarHBondContact O-N 3.41Å; E51-A65 HydrophobicContact CB-CB 3.47Å; E51-A65 VanDerWaalsContact CB-CB 3.47Å; E51-A65 HydrophobicContact CG-CB 3.8Å
52	T	92.4	Very high	87.6	Confident	70 Å²	70	83.7 Å²	83.7	43%	0.429	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	149.4	-172.3	63.2	0	0	0	0	113.7	L41 L42 D50	L41-T52 CarbonylContact O-C 3.46Å; L41-T52 VanDerWaalsContact O-CA 3.27Å; L41-T52 WeakPolarHBondContact O-CA 3.37Å; L42-T52 HydrophobicContact CB-CG2 4.12Å; L42-T52 HydrophobicContact CD2-CG2 3.52Å; L42-T52 HydrophobicContact CG-CG2 3.66Å; D50-T52 HydrophobicContact CB-CG2 4.06Å; D50-T52 PolarHBondContact O-N 2.86Å
53	V	93.3	Very high	87.4	Confident	45 Å²	45	83.2 Å²	83.2	27%	0.273	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	139.9	168.4	64.1	0	0	0	0	110.4	Y40 L41 L62 L63	Y40-V53 WeakPolarHBondContact CA-O 3.13Å; L41-V53 HydrophobicContact CB-CG1 3.67Å; L41-V53 HydrophobicContact CD1-CG1 4.14Å; L41-V53 HydrophobicContact CG-CG1 4.35Å; L41-V53 PolarHBondContact N-O 2.61Å; L41-V53 PolarHBondContact O-N 2.84Å; V53-L62 WeakPolarHBondContact CG1-O 3.28Å; V53-L63 HydrophobicContact CB-CD1 4.29Å; V53-L63 HydrophobicContact CG1-CB 4.29Å; V53-L63 HydrophobicContact CG1-CD1 3.86Å
54	K	92.4	Very high	87.1	Confident	87 Å²	87	90.7 Å²	90.7	38%	0.378	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	127.6	173.2	-71.2	-175.9	177.5	-180	0	110.8	Y38 Y40 Y56	Y38-K54 HydrophobicContact CD2-CD 4.41Å; Y38-K54 HydrophobicContact CD2-CG 4.25Å; Y38-K54 HydrophobicContact CE2-CD 4.44Å; Y38-K54 HydrophobicContact CE2-CG 4.5Å; Y40-K54 HydrophobicContact CD1-CG 3.57Å; Y40-K54 HydrophobicContact CE1-CB 4.49Å; Y40-K54 HydrophobicContact CE1-CD 3.89Å; Y40-K54 HydrophobicContact CE1-CG 3.18Å; Y40-K54 WeakPolarHBondContact OH-CE 3.35Å; Y40-K54 PolarHBondContact OH-NZ 2.85Å; K54-Y56 HydrophobicContact CB-CE2 4.22Å
55	V	91.5	Very high	86.6	Confident	18 Å²	18	87.8 Å²	87.8	11%	0.109	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	106.1	173.6	-176.2	0	0	0	0	108.1	W28 V39 L41	W28-V55 HydrophobicContact CH2-CB 4.32Å; W28-V55 HydrophobicContact CH2-CG1 4.15Å; W28-V55 HydrophobicContact CH2-CG2 4.12Å; W28-V55 HydrophobicContact CZ2-CB 4.35Å; W28-V55 HydrophobicContact CZ2-CG1 4.11Å; V39-V55 HydrophobicContact CB-CB 4.41Å; V39-V55 PolarHBondContact N-O 2.79Å; V39-V55 PolarHBondContact O-N 2.97Å; L41-V55 HydrophobicContact CD1-CG2 4.18Å; L41-V55 HydrophobicContact CG-CG2 4.36Å
56	Y	86.4	Confident	86.1	Confident	147 Å²	147	88 Å²	88	58%	0.576	43%	0.434	S	S	*	.			trans	-76.6	-27.1	-174.6	-71.6	-80.3	0	0	0	113.7	F36 K54	F36-Y56 WeakPolarHBondContact CE1-O 3.44Å; K54-Y56 HydrophobicContact CB-CE2 4.22Å
57	K	79.6	Confident	86.2	Confident	186 Å²	186	83.7 Å²	83.7	81%	0.809	41%	0.406	S	S	*	.	S	Bend	trans	-151.6	145.7	179.5	-66.5	-174.4	-179.4	175.9	0	109.7
58	G	81.3	Confident	86.4	Confident	33 Å²	33	80.4 Å²	80.4	34%	0.34	39%	0.389	S	S	.	.	S	Bend	trans	109.1	-179.8	175.9	0	0	0	0	0	113.4
59	D	85.6	Confident	86.8	Confident	81 Å²	81	70.9 Å²	70.9	43%	0.433	35%	0.353	S	S	.	.	S	Bend	trans	-118.5	7	-178.6	42.6	4.6	0	0	0	111.6	E27 W28	E27-D59 CarbonylContact C-O 3.6Å; E27-D59 WeakPolarHBondContact CA-O 3.39Å; W28-D59 PolarHBondContact N-O 3.35Å; W28-D59 WeakPolarHBondContact O-CB 3.35Å
60	I	88.6	Confident	87	Confident	88 Å²	88	64.9 Å²	64.9	45%	0.451	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	143.7	178.8	-61.6	174.9	0	0	0	109.1	I17 F26 E27	I17-I60 HydrophobicContact CD1-CD1 4.24Å; I17-I60 HydrophobicContact CD1-CG1 4.42Å; I17-I60 HydrophobicContact CD1-CG2 3.9Å; F26-I60 CarbonylContact O-C 3.59Å; F26-I60 VanDerWaalsContact O-CA 3.23Å; F26-I60 WeakPolarHBondContact O-CA 3.35Å; F26-I60 WeakPolarHBondContact O-CG2 3.17Å; E27-I60 HydrophobicContact CB-CG1 3.96Å
61	G	88.2	Confident	87.1	Confident	8 Å²	8	66.1 Å²	66.1	8%	0.082	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	156.1	173.5	0	0	0	0	0	113.5	A25 F26	A25-G61 WeakPolarHBondContact CA-O 2.94Å; F26-G61 PolarHBondContact N-O 2.96Å; F26-G61 PolarHBondContact O-N 3.33Å
62	L	89.5	Confident	87.2	Confident	85 Å²	85	65.3 Å²	65.3	45%	0.445	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	116.3	179.6	-64.6	176.1	0	0	0	109.9	M24 A25 V53	M24-L62 WeakPolarHBondContact O-CA 3.41Å; A25-L62 HydrophobicContact CB-CD2 3.48Å; A25-L62 VanDerWaalsContact CB-CD2 3.48Å; V53-L62 WeakPolarHBondContact CG1-O 3.28Å
63	L	88.3	Confident	87.1	Confident	2 Å²	2	62.5 Å²	62.5	1%	0.01	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	123.6	172.6	-178.1	65.8	0	0	0	109	A23 M24 F26 Q43 V53 A65 Y75	A23-L63 CarbonylContact C-O 3.47Å; A23-L63 VanDerWaalsContact CA-O 3.27Å; A23-L63 WeakPolarHBondContact CA-O 3.32Å; A23-L63 WeakPolarHBondContact CB-O 3.33Å; M24-L63 PolarHBondContact N-O 2.87Å; M24-L63 PolarHBondContact O-N 3.17Å; F26-L63 HydrophobicContact CD2-CB 4.33Å; F26-L63 HydrophobicContact CE2-CB 3.92Å; F26-L63 HydrophobicContact CE2-CD2 4.33Å; Q43-L63 HydrophobicContact CB-CD2 3.86Å; V53-L63 HydrophobicContact CB-CD1 4.29Å; V53-L63 HydrophobicContact CG1-CB 4.29Å; V53-L63 HydrophobicContact CG1-CD1 3.86Å; L63-A65 HydrophobicContact CD1-CB 4.31Å; L63-A65 HydrophobicContact CD2-CB 3.88Å; L63-A65 HydrophobicContact CG-CB 3.69Å; L63-A65 PolarHBondContact O-N 2.96Å; L63-Y75 HydrophobicContact CD2-CD1 3.93Å; L63-Y75 HydrophobicContact CD2-CE1 4.14Å
64	K	87.1	Confident	87.1	Confident	178 Å²	178	64.1 Å²	64.1	77%	0.774	33%	0.326	S	S	*	.	S	Bend	trans	-76.2	41	175.8	-67	-173.6	179.3	-178.8	0	112.5	A23	A23-K64 HydrophobicContact CB-CG 4.48Å
65	A	79.4	Confident	87.2	Confident	6 Å²	6	60.1 Å²	60.1	5%	0.05	31%	0.308	C	S	.	.			trans	-134.1	104.6	-178.9	0	0	0	0	0	107.2	M24 Q43 E51 L63	M24-A65 WeakPolarHBondContact CE-O 3.29Å; Q43-A65 HydrophobicContact CB-CB 4Å; Q43-A65 PolarHBondContact OE1-O 3.37Å; E51-A65 HydrophobicContact CB-CB 3.47Å; E51-A65 VanDerWaalsContact CB-CB 3.47Å; E51-A65 HydrophobicContact CG-CB 3.8Å; L63-A65 HydrophobicContact CD1-CB 4.31Å; L63-A65 HydrophobicContact CD2-CB 3.88Å; L63-A65 HydrophobicContact CG-CB 3.69Å; L63-A65 PolarHBondContact O-N 2.96Å
66	I	75	Confident	87.3	Confident	43 Å²	43	62.5 Å²	62.5	22%	0.221	32%	0.315	C	S	.	.			trans	-100.2	110.9	176.7	-55.6	171	0	0	0	105.4	Q20 T21 M24 R98	Q20-I66 WeakPolarHBondContact O-CD1 3.08Å; T21-I66 VanDerWaalsContact C-CD1 3.48Å; T21-I66 WeakPolarHBondContact O-CD1 3.42Å; M24-I66 HydrophobicContact CG-CG1 4.36Å; I66-R98 VanDerWaalsContact CG2-CD 3.41Å; I66-R98 VanDerWaalsContact CG2-NE 3.31Å
67	G	81.8	Confident	87.6	Confident	2 Å²	2	55.5 Å²	55.5	2%	0.021	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-50.7	160.9	174.8	0	0	0	0	0	113.5	S73 Y75 R98	G67-S73 VanDerWaalsContact CA-OG 3.32Å; G67-S73 WeakPolarHBondContact CA-OG 3.4Å; G67-Y75 VanDerWaalsContact CA-OH 3.26Å; G67-Y75 WeakPolarHBondContact CA-OH 3.09Å; G67-Y75 PolarHBondContact N-OH 2.84Å; G67-R98 PolarHBondContact O-NE 3.36Å; G67-R98 PolarHBondContact O-NH2 2.87Å; G67-R98 VanDerWaalsContact O-NH2 3.13Å
68	Q	87.8	Confident	88.3	Confident	118 Å²	118	47.1 Å²	47.1	55%	0.551	25%	0.251	S	S	*	.	P	Polyproline II helix	trans	-67.5	142.5	178.7	-69.6	-174.2	15.7	0	0	111.5	C70 V71	Q68-C70 PolarHBondContact O-N 2.91Å; Q68-V71 HydrophobicContact CB-CB 3.98Å; Q68-V71 HydrophobicContact CB-CG2 4.05Å; Q68-V71 PolarHBondContact O-N 3.44Å
69	A	89.4	Confident	88.9	Confident	3 Å²	3	45.6 Å²	45.6	3%	0.025	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-59.9	136.5	174.4	0	0	0	0	0	111	V71 R98 P100 R123	A69-V71 PolarHBondContact O-N 2.72Å; A69-V71 VanDerWaalsContact O-N 3.14Å; A69-R98 VanDerWaalsContact N-NH2 3.19Å; A69-P100 HydrophobicContact CB-CB 4.29Å; A69-P100 HydrophobicContact CB-CG 4.09Å; A69-R123 HydrophobicContact CB-CB 4.46Å; A69-R123 PolarHBondContact O-NH1 3.44Å
70	C	90.8	Very high	89.4	Confident	29 Å²	29	43.9 Å²	43.9	20%	0.196	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	5.7	-178.4	-52.2	0	0	0	0	116.1	Q68 K97 R98 P100 C126	Q68-C70 PolarHBondContact O-N 2.91Å; C70-K97 VanDerWaalsContact O-CE 3.29Å; C70-K97 WeakPolarHBondContact O-CE 3.43Å; C70-R98 PolarHBondContact N-O 3.11Å; C70-P100 VanDerWaalsContact SG-CD 3.55Å; C70-P100 WeakPolarHBondContact SG-CG 3.4Å; C70-C126 WeakPolarHBondContact CA-SG 3.45Å; C70-C126 HydrophobicContact CB-CB 3.72Å; C70-C126 WeakPolarHBondContact CB-SG 3.3Å; C70-C126 WeakPolarHBondContact SG-CA 3.21Å; C70-C126 WeakPolarHBondContact SG-CB 3.47Å; C70-C126 PolarHBondContact SG-N 3.02Å; C70-C126 CovalentContact SG-SG 2.04Å; C70-C126 PolarHBondContact SG-SG 2.84Å
71	V	91.3	Very high	89.7	Confident	60 Å²	60	39.7 Å²	39.7	36%	0.364	20%	0.202	S	C	.	.	S	Bend	trans	-111.4	130.9	177.1	-178.5	0	0	0	0	108.7	Q68 A69 S73	Q68-V71 HydrophobicContact CB-CB 3.98Å; Q68-V71 HydrophobicContact CB-CG2 4.05Å; Q68-V71 PolarHBondContact O-N 3.44Å; A69-V71 PolarHBondContact O-N 2.72Å; A69-V71 VanDerWaalsContact O-N 3.14Å; V71-S73 PolarHBondContact O-N 3.22Å
72	V	90.9	Very high	89.8	Confident	83 Å²	83	45.4 Å²	45.4	50%	0.503	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	121.2	174.5	-179.6	0	0	0	0	108.7	T95 K97	V72-T95 HydrophobicContact CG1-CG2 4.02Å; V72-K97 HydrophobicContact CG2-CB 4.21Å; V72-K97 HydrophobicContact CG2-CD 4.46Å; V72-K97 HydrophobicContact CG2-CG 4.5Å
73	S	91.4	Very high	89.8	Confident	10 Å²	10	44.5 Å²	44.5	7%	0.07	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	141.6	174.2	-60.9	0	0	0	0	109.7	G67 V71 Y75 T95 Y96	G67-S73 VanDerWaalsContact CA-OG 3.32Å; G67-S73 WeakPolarHBondContact CA-OG 3.4Å; V71-S73 PolarHBondContact O-N 3.22Å; S73-Y75 VanDerWaalsContact CB-CE2 3.45Å; S73-Y75 WeakPolarHBondContact CB-OH 3.2Å; S73-Y75 WeakPolarHBondContact O-CE2 3.39Å; S73-T95 WeakPolarHBondContact O-CA 3.49Å; S73-Y96 PolarHBondContact N-O 3.15Å; S73-Y96 PolarHBondContact O-N 2.64Å
74	N	93.2	Very high	89.8	Confident	80 Å²	80	54.1 Å²	54.1	43%	0.428	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	130.5	-179.8	-63.2	-63.3	0	0	0	110	N44 T95	N44-N74 HydrophobicContact CB-CB 4.08Å; N44-N74 PolarHBondContact N-O 2.98Å; N74-T95 VanDerWaalsContact OD1-CG2 3.31Å; N74-T95 WeakPolarHBondContact OD1-CG2 3.43Å
75	Y	93.8	Very high	89.8	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.008	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	153.9	178.2	-59.1	-89.8	0	0	0	110.5	M24 F26 L42 Q43 L63 G67 S73 M94	M24-Y75 HydrophobicContact CE-CD1 4.27Å; M24-Y75 HydrophobicContact CE-CE1 3.33Å; M24-Y75 HydrophobicContact CE-CE2 3.91Å; M24-Y75 WeakPolarHBondContact CE-OH 3.4Å; F26-Y75 HydrophobicContact CE1-CD1 4.07Å; F26-Y75 HydrophobicContact CE1-CD2 4.37Å; F26-Y75 AromaticContact CE1-CG 3.89Å; F26-Y75 HydrophobicContact CE1-CG 3.89Å; F26-Y75 HydrophobicContact CE2-CD1 4.32Å; F26-Y75 AromaticContact CZ-CD1 3.46Å; F26-Y75 HydrophobicContact CZ-CD1 3.46Å; F26-Y75 VanDerWaalsContact CZ-CD1 3.46Å; F26-Y75 HydrophobicContact CZ-CD2 4.37Å; F26-Y75 AromaticContact CZ-CE1 3.83Å; F26-Y75 HydrophobicContact CZ-CE1 3.83Å; F26-Y75 AromaticContact CZ-CG 3.77Å; F26-Y75 HydrophobicContact CZ-CG 3.77Å; L42-Y75 CarbonylContact O-C 3.53Å; L42-Y75 WeakPolarHBondContact O-CA 3.45Å; Q43-Y75 HydrophobicContact CB-CD1 3.7Å; Q43-Y75 HydrophobicContact CB-CE1 3.51Å; Q43-Y75 HydrophobicContact CG-CD1 3.95Å; Q43-Y75 HydrophobicContact CG-CE1 3.44Å; Q43-Y75 VanDerWaalsContact CG-CE1 3.44Å; L63-Y75 HydrophobicContact CD2-CD1 3.93Å; L63-Y75 HydrophobicContact CD2-CE1 4.14Å; G67-Y75 VanDerWaalsContact CA-OH 3.26Å; G67-Y75 WeakPolarHBondContact CA-OH 3.09Å; G67-Y75 PolarHBondContact N-OH 2.84Å; S73-Y75 VanDerWaalsContact CB-CE2 3.45Å; S73-Y75 WeakPolarHBondContact CB-OH 3.2Å; S73-Y75 WeakPolarHBondContact O-CE2 3.39Å; Y75-M94 PolarHBondContact N-O 2.86Å; Y75-M94 PolarHBondContact O-N 2.9Å
76	R	93.1	Very high	90.3	Very high	68 Å²	68	54.3 Å²	54.3	26%	0.257	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	144.9	176	-63.6	-178	-73	171.3	-7.4	111.3	L41 L42 D50 E78 T91 Y92	L41-R76 WeakPolarHBondContact CA-O 3Å; L42-R76 HydrophobicContact CB-CB 4.41Å; L42-R76 HydrophobicContact CD1-CB 4.04Å; L42-R76 PolarHBondContact N-O 3.43Å; L42-R76 PolarHBondContact O-N 3.33Å; D50-R76 IonicContact OD2-CZ 3.86Å; D50-R76 IonicContact OD2-NH2 3.23Å; D50-R76 PolarHBondContact OD2-NH2 3.21Å; R76-E78 HydrophobicContact CB-CG 4.26Å; R76-E78 IonicContact CZ-OE1 3.16Å; R76-E78 IonicContact NE-OE1 3.47Å; R76-E78 PolarHBondContact NE-OE1 2.85Å; R76-E78 IonicContact NH1-OE1 2.7Å; R76-E78 PolarHBondContact NH1-OE1 2.99Å; R76-E78 IonicContact NH2-OE1 2.67Å; R76-T91 HydrophobicContact CB-CG2 4.38Å; R76-T91 HydrophobicContact CG-CG2 4.44Å; R76-Y92 CarbonylContact C-O 3.44Å; R76-Y92 VanDerWaalsContact CA-O 3.23Å; R76-Y92 WeakPolarHBondContact CA-O 3.38Å
77	A	93.8	Very high	91.2	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	114.2	161.5	0	0	0	0	0	108.3	F14 W28 V39 Y40 L41 T91 Y92	F14-A77 HydrophobicContact CD1-CB 4.4Å; F14-A77 HydrophobicContact CD2-CB 3.9Å; F14-A77 HydrophobicContact CE1-CB 4.38Å; F14-A77 HydrophobicContact CE2-CB 3.83Å; F14-A77 HydrophobicContact CG-CB 4.19Å; F14-A77 HydrophobicContact CZ-CB 4.1Å; W28-A77 HydrophobicContact CD2-CB 4.39Å; W28-A77 HydrophobicContact CG-CB 4.46Å; V39-A77 HydrophobicContact CG1-CB 4.17Å; Y40-A77 CarbonylContact O-C 3.58Å; Y40-A77 WeakPolarHBondContact O-CA 3.4Å; L41-A77 HydrophobicContact CD2-CB 3.72Å; A77-T91 CarbonylContact O-C 3.48Å; A77-T91 WeakPolarHBondContact O-CA 3.33Å; A77-Y92 PolarHBondContact N-O 3.41Å; A77-Y92 PolarHBondContact O-N 3.11Å
78	E	94	Very high	91.8	Very high	11 Å²	11	58.1 Å²	58.1	5%	0.051	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	120.3	-173.6	-69.4	-173.1	-178.1	0	0	111	V39 Y40 L42 R76 Y80 N88 M90 T91	V39-E78 CarbonylContact C-O 3.57Å; V39-E78 WeakPolarHBondContact CA-O 3.39Å; Y40-E78 PolarHBondContact N-O 3.33Å; Y40-E78 PolarHBondContact O-N 2.87Å; L42-E78 HydrophobicContact CD1-CB 4.08Å; L42-E78 HydrophobicContact CD1-CG 3.73Å; R76-E78 HydrophobicContact CB-CG 4.26Å; R76-E78 IonicContact CZ-OE1 3.16Å; R76-E78 IonicContact NE-OE1 3.47Å; R76-E78 PolarHBondContact NE-OE1 2.85Å; R76-E78 IonicContact NH1-OE1 2.7Å; R76-E78 PolarHBondContact NH1-OE1 2.99Å; R76-E78 IonicContact NH2-OE1 2.67Å; E78-Y80 HydrophobicContact CB-CD2 4.14Å; E78-Y80 HydrophobicContact CB-CE2 3.5Å; E78-Y80 VanDerWaalsContact CB-CE2 3.5Å; E78-Y80 HydrophobicContact CG-CE2 4.48Å; E78-Y80 WeakPolarHBondContact O-CD2 3.18Å; E78-Y80 VanDerWaalsContact OE2-CE2 3.26Å; E78-Y80 WeakPolarHBondContact OE2-CE2 3.32Å; E78-Y80 PolarHBondContact OE2-OH 3.09Å; E78-N88 WeakPolarHBondContact CB-ND2 3.1Å; E78-M90 CarbonylContact C-O 3.59Å; E78-M90 WeakPolarHBondContact CA-O 3.29Å; E78-T91 HydrophobicContact CG-CG2 3.75Å
79	G	94.4	Very high	92.1	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	128.9	174.7	0	0	0	0	0	111.7	N88 F89 M90	G79-N88 CarbonylContact O-C 3.59Å; G79-N88 WeakPolarHBondContact O-CA 3.39Å; G79-F89 VanDerWaalsContact C-CD1 3.46Å; G79-F89 WeakPolarHBondContact O-CD1 3.31Å; G79-F89 WeakPolarHBondContact O-CE1 3.41Å; G79-F89 PolarHBondContact O-N 3.33Å; G79-M90 PolarHBondContact N-O 2.82Å
80	Y	95.9	Very high	92.3	Very high	45 Å²	45	58.2 Å²	58.2	18%	0.176	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	144.7	178.6	-77.4	-96.9	0	0	0	112.8	G37 Y38 Y40 E78 A86 S87 N88 F89	G37-Y80 WeakPolarHBondContact CA-O 3.35Å; G37-Y80 PolarHBondContact N-O 2.78Å; Y38-Y80 HydrophobicContact CE2-CD2 4.03Å; Y38-Y80 AromaticContact CE2-CG 3.94Å; Y38-Y80 HydrophobicContact CE2-CG 3.94Å; Y38-Y80 PolarHBondContact N-O 3.16Å; Y38-Y80 PolarHBondContact O-N 2.82Å; Y40-Y80 AromaticContact CD2-CD2 3.73Å; Y40-Y80 HydrophobicContact CD2-CD2 3.73Å; Y40-Y80 AromaticContact CD2-CE2 3.5Å; Y40-Y80 HydrophobicContact CD2-CE2 3.5Å; Y40-Y80 VanDerWaalsContact CD2-CE2 3.5Å; Y40-Y80 HydrophobicContact CE2-CD2 4.4Å; Y40-Y80 HydrophobicContact CE2-CE2 4.23Å; Y40-Y80 HydrophobicContact CG-CE2 4.48Å; E78-Y80 HydrophobicContact CB-CD2 4.14Å; E78-Y80 HydrophobicContact CB-CE2 3.5Å; E78-Y80 VanDerWaalsContact CB-CE2 3.5Å; E78-Y80 HydrophobicContact CG-CE2 4.48Å; E78-Y80 WeakPolarHBondContact O-CD2 3.18Å; E78-Y80 VanDerWaalsContact OE2-CE2 3.26Å; E78-Y80 WeakPolarHBondContact OE2-CE2 3.32Å; E78-Y80 PolarHBondContact OE2-OH 3.09Å; Y80-A86 HydrophobicContact CD1-CB 4.42Å; Y80-S87 WeakPolarHBondContact CA-O 3.07Å; Y80-N88 HydrophobicContact CD1-CB 4.33Å; Y80-N88 HydrophobicContact CE1-CB 3.81Å; Y80-N88 HydrophobicContact CE2-CB 4.4Å; Y80-F89 VanDerWaalsContact C-CE1 3.46Å; Y80-F89 VanDerWaalsContact N-CE1 3.29Å; Y80-F89 WeakPolarHBondContact O-CE1 3.11Å
81	T	94.8	Very high	92.4	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.006	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	156.5	173.2	68.8	0	0	0	0	112.1	H33 N35 D83 A86 S87 F89	H33-T81 WeakPolarHBondContact CE1-CG2 2.91Å; H33-T81 WeakPolarHBondContact ND1-CG2 3.4Å; N35-T81 CarbonylContact O-C 3.44Å; N35-T81 WeakPolarHBondContact O-CA 3.43Å; N35-T81 WeakPolarHBondContact O-CB 3.47Å; T81-D83 VanDerWaalsContact C-N 3.3Å; T81-D83 WeakPolarHBondContact CB-OD2 3.13Å; T81-D83 PolarHBondContact OG1-OD2 3.08Å; T81-A86 WeakPolarHBondContact O-CA 3.3Å; T81-A86 WeakPolarHBondContact O-CB 3.16Å; T81-S87 PolarHBondContact N-O 3.07Å; T81-S87 PolarHBondContact OG1-N 3.27Å; T81-S87 VanDerWaalsContact OG1-N 3.14Å; T81-S87 PolarHBondContact OG1-OG 2.77Å; T81-F89 HydrophobicContact CG2-CB 4.48Å; T81-F89 HydrophobicContact CG2-CD1 3.8Å
82	N	91	Very high	92.5	Very high	127 Å²	127	56.8 Å²	56.8	68%	0.679	30%	0.297	S	S	*	.			trans	-94	21.1	172.8	-159	44.7	0	0	0	112.8	N35	N35-N82 PolarHBondContact O-N 2.66Å
83	D	89.9	Confident	92.6	Very high	66 Å²	66	58.3 Å²	58.3	35%	0.353	30%	0.298	S	S	.	.	S	Bend	trans	-68.4	163.8	176.3	-61	-49.3	0	0	0	110.3	N35 T81 L85 A86	N35-D83 PolarHBondContact ND2-OD1 3.16Å; T81-D83 VanDerWaalsContact C-N 3.3Å; T81-D83 WeakPolarHBondContact CB-OD2 3.13Å; T81-D83 PolarHBondContact OG1-OD2 3.08Å; D83-L85 CarbonylContact O-C 3.39Å; D83-L85 PolarHBondContact O-N 3.25Å; D83-A86 PolarHBondContact O-N 2.93Å
84	F	87.1	Confident	92.5	Very high	205 Å²	205	59.4 Å²	59.4	90%	0.899	30%	0.303	S	S	*	.	S	Bend	trans	-51	-35.6	178.3	177.3	-99.6	0	0	0	112.6
85	L	88	Confident	92.4	Very high	137 Å²	137	59.5 Å²	59.5	72%	0.717	31%	0.306	S	S	*	.	S	Bend	trans	-108.6	105.3	163	-64.3	176.3	0	0	0	108.3	D83 S87	D83-L85 CarbonylContact O-C 3.39Å; D83-L85 PolarHBondContact O-N 3.25Å; L85-S87 PolarHBondContact O-N 3.03Å
86	A	90	Very high	92.2	Very high	50 Å²	50	60.9 Å²	60.9	41%	0.413	31%	0.312	S	S	.	.			trans	-60.9	122.3	175.1	0	0	0	0	0	109.8	Y80 T81 D83	Y80-A86 HydrophobicContact CD1-CB 4.42Å; T81-A86 WeakPolarHBondContact O-CA 3.3Å; T81-A86 WeakPolarHBondContact O-CB 3.16Å; D83-A86 PolarHBondContact O-N 2.93Å
87	S	93.6	Very high	91.9	Very high	60 Å²	60	59.4 Å²	59.4	42%	0.42	31%	0.307	S	S	.	.			trans	-114.7	139.3	177.2	65.4	0	0	0	0	110.9	Y80 T81 L85 F89	Y80-S87 WeakPolarHBondContact CA-O 3.07Å; T81-S87 PolarHBondContact N-O 3.07Å; T81-S87 PolarHBondContact OG1-N 3.27Å; T81-S87 VanDerWaalsContact OG1-N 3.14Å; T81-S87 PolarHBondContact OG1-OG 2.77Å; L85-S87 PolarHBondContact O-N 3.03Å; S87-F89 PolarHBondContact O-N 3.05Å
88	N	94.5	Very high	91.7	Very high	66 Å²	66	59.8 Å²	59.8	35%	0.353	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	130.4	168.2	-179.9	-77.4	0	0	0	108.8	E78 G79 Y80 M90 T91	E78-N88 WeakPolarHBondContact CB-ND2 3.1Å; G79-N88 CarbonylContact O-C 3.59Å; G79-N88 WeakPolarHBondContact O-CA 3.39Å; Y80-N88 HydrophobicContact CD1-CB 4.33Å; Y80-N88 HydrophobicContact CE1-CB 3.81Å; Y80-N88 HydrophobicContact CE2-CB 4.4Å; N88-M90 PolarHBondContact OD1-N 3.23Å; N88-T91 PolarHBondContact ND2-OG1 2.92Å; N88-T91 PolarHBondContact OD1-OG1 2.67Å
89	F	94.1	Very high	91.4	Very high	47 Å²	47	59.3 Å²	59.3	21%	0.206	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	-16.1	178	66.2	-102.3	0	0	0	113.4	L31 H33 F36 G79 Y80 T81 S87	L31-F89 HydrophobicContact CB-CE2 4.08Å; L31-F89 HydrophobicContact CB-CZ 4.11Å; H33-F89 HydrophobicContact CB-CD1 3.91Å; H33-F89 HydrophobicContact CB-CD2 3.86Å; H33-F89 HydrophobicContact CB-CE1 3.78Å; H33-F89 HydrophobicContact CB-CE2 3.79Å; H33-F89 HydrophobicContact CB-CG 3.96Å; H33-F89 HydrophobicContact CB-CZ 3.76Å; H33-F89 AromaticContact CD2-CG 3.89Å; H33-F89 AromaticContact CG-CD1 3.96Å; H33-F89 AromaticContact CG-CG 3.92Å; F36-F89 HydrophobicContact CD2-CE1 4.17Å; F36-F89 AromaticContact CD2-CZ 3.81Å; F36-F89 HydrophobicContact CD2-CZ 3.81Å; F36-F89 HydrophobicContact CE2-CZ 4.31Å; G79-F89 VanDerWaalsContact C-CD1 3.46Å; G79-F89 WeakPolarHBondContact O-CD1 3.31Å; G79-F89 WeakPolarHBondContact O-CE1 3.41Å; G79-F89 PolarHBondContact O-N 3.33Å; Y80-F89 VanDerWaalsContact C-CE1 3.46Å; Y80-F89 VanDerWaalsContact N-CE1 3.29Å; Y80-F89 WeakPolarHBondContact O-CE1 3.11Å; T81-F89 HydrophobicContact CG2-CB 4.48Å; T81-F89 HydrophobicContact CG2-CD1 3.8Å; S87-F89 PolarHBondContact O-N 3.05Å
90	M	92.5	Very high	91.2	Very high	76 Å²	76	59.3 Å²	59.3	37%	0.374	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	141.8	-179.9	-170.6	67.7	159.2	0	0	109.5	L31 E78 G79 N88 Y92	L31-M90 HydrophobicContact CD2-CB 3.96Å; L31-M90 HydrophobicContact CD2-CG 3.55Å; E78-M90 CarbonylContact C-O 3.59Å; E78-M90 WeakPolarHBondContact CA-O 3.29Å; G79-M90 PolarHBondContact N-O 2.82Å; N88-M90 PolarHBondContact OD1-N 3.23Å; M90-Y92 HydrophobicContact CE-CE1 3.81Å
91	T	93.4	Very high	90.8	Very high	40 Å²	40	58 Å²	58	25%	0.245	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	129.5	175.5	-58.5	0	0	0	0	109.9	R76 A77 E78 N88 H93	R76-T91 HydrophobicContact CB-CG2 4.38Å; R76-T91 HydrophobicContact CG-CG2 4.44Å; A77-T91 CarbonylContact O-C 3.48Å; A77-T91 WeakPolarHBondContact O-CA 3.33Å; E78-T91 HydrophobicContact CG-CG2 3.75Å; N88-T91 PolarHBondContact ND2-OG1 2.92Å; N88-T91 PolarHBondContact OD1-OG1 2.67Å; T91-H93 WeakPolarHBondContact CG2-NE2 2.94Å
92	Y	93.4	Very high	90.4	Very high	18 Å²	18	58.3 Å²	58.3	7%	0.071	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	140.2	164.5	-64.5	-53.4	0	0	0	109.9	F14 W28 L31 R76 A77 M90	F14-Y92 HydrophobicContact CB-CD2 4.43Å; F14-Y92 HydrophobicContact CB-CG 4.17Å; W28-Y92 HydrophobicContact CB-CD2 3.99Å; W28-Y92 HydrophobicContact CB-CE2 4.24Å; L31-Y92 HydrophobicContact CD2-CD2 3.97Å; L31-Y92 HydrophobicContact CD2-CE2 3.28Å; L31-Y92 HydrophobicContact CG-CE2 4.08Å; R76-Y92 CarbonylContact C-O 3.44Å; R76-Y92 VanDerWaalsContact CA-O 3.23Å; R76-Y92 WeakPolarHBondContact CA-O 3.38Å; A77-Y92 PolarHBondContact N-O 3.41Å; A77-Y92 PolarHBondContact O-N 3.11Å; M90-Y92 HydrophobicContact CE-CE1 3.81Å
93	H	92.6	Very high	90	Very high	116 Å²	116	54.9 Å²	54.9	54%	0.537	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	144.3	178.5	-67.4	-88.7	0	0	0	110.1	N12 T91	N12-H93 PolarHBondContact ND2-O 2.76Å; T91-H93 WeakPolarHBondContact CG2-NE2 2.94Å
94	M	90.5	Very high	89.7	Confident	33 Å²	33	54.1 Å²	54.1	16%	0.163	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	140.6	173.6	-178.1	-171.9	-175.3	0	0	110.2	F14 V16 F26 Y75 Y96	F14-M94 HydrophobicContact CD1-CB 3.44Å; F14-M94 VanDerWaalsContact CD1-CB 3.44Å; F14-M94 HydrophobicContact CE1-CB 3.66Å; F14-M94 HydrophobicContact CG-CB 4.35Å; V16-M94 HydrophobicContact CB-CE 4.22Å; V16-M94 HydrophobicContact CG2-CE 3.78Å; V16-M94 HydrophobicContact CG2-SD 3.93Å; F26-M94 HydrophobicContact CD1-SD 4.33Å; F26-M94 HydrophobicContact CE1-SD 4.17Å; Y75-M94 PolarHBondContact N-O 2.86Å; Y75-M94 PolarHBondContact O-N 2.9Å; M94-Y96 HydrophobicContact CE-CD2 3.61Å; M94-Y96 HydrophobicContact CE-CE2 4.46Å; M94-Y96 HydrophobicContact CE-CG 4.27Å
95	T	90.8	Very high	89.4	Confident	82 Å²	82	47.7 Å²	47.7	50%	0.503	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	134.8	164.5	50.8	0	0	0	0	109.3	V72 S73 N74	V72-T95 HydrophobicContact CG1-CG2 4.02Å; S73-T95 WeakPolarHBondContact O-CA 3.49Å; N74-T95 VanDerWaalsContact OD1-CG2 3.31Å; N74-T95 WeakPolarHBondContact OD1-CG2 3.43Å
96	Y	88.3	Confident	89.1	Confident	30 Å²	30	45.3 Å²	45.3	12%	0.118	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	120.8	177	-167.4	-101.9	0	0	0	111.2	V16 E19 M24 S73 M94 R98	V16-Y96 HydrophobicContact CB-CD2 4.39Å; V16-Y96 HydrophobicContact CB-CE2 4.18Å; V16-Y96 HydrophobicContact CG2-CD1 4.39Å; V16-Y96 HydrophobicContact CG2-CD2 3.94Å; V16-Y96 HydrophobicContact CG2-CE2 4.16Å; V16-Y96 HydrophobicContact CG2-CG 4.06Å; E19-Y96 WeakPolarHBondContact OE1-CE1 3.4Å; E19-Y96 PolarHBondContact OE1-OH 3.27Å; M24-Y96 HydrophobicContact SD-CD1 4.03Å; M24-Y96 HydrophobicContact SD-CE1 4.08Å; S73-Y96 PolarHBondContact N-O 3.15Å; S73-Y96 PolarHBondContact O-N 2.64Å; M94-Y96 HydrophobicContact CE-CD2 3.61Å; M94-Y96 HydrophobicContact CE-CE2 4.46Å; M94-Y96 HydrophobicContact CE-CG 4.27Å; Y96-R98 HydrophobicContact CE1-CB 4.2Å
97	K	88.5	Confident	88.3	Confident	38 Å²	38	45.8 Å²	45.8	17%	0.165	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	118.5	171.3	-173	-176.9	-177.8	-167.5	0	108	C70 V72 H176 R179	C70-K97 VanDerWaalsContact O-CE 3.29Å; C70-K97 WeakPolarHBondContact O-CE 3.43Å; V72-K97 HydrophobicContact CG2-CB 4.21Å; V72-K97 HydrophobicContact CG2-CD 4.46Å; V72-K97 HydrophobicContact CG2-CG 4.5Å; K97-H176 PolarHBondContact NZ-NE2 2.72Å; K97-R179 WeakPolarHBondContact O-CD 3.36Å; K97-R179 PolarHBondContact O-NH1 2.7Å
98	R	87.9	Confident	87.2	Confident	7 Å²	7	47 Å²	47	3%	0.026	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-87.1	144.9	-178.6	-179.5	173.6	63.7	85.2	-11.7	111.5	E19 I66 G67 A69 C70 Y96 E122	E19-R98 WeakPolarHBondContact OE2-CD 3.47Å; I66-R98 VanDerWaalsContact CG2-CD 3.41Å; I66-R98 VanDerWaalsContact CG2-NE 3.31Å; G67-R98 PolarHBondContact O-NE 3.36Å; G67-R98 PolarHBondContact O-NH2 2.87Å; G67-R98 VanDerWaalsContact O-NH2 3.13Å; A69-R98 VanDerWaalsContact N-NH2 3.19Å; C70-R98 PolarHBondContact N-O 3.11Å; Y96-R98 HydrophobicContact CE1-CB 4.2Å; R98-E122 IonicContact CZ-OE1 3.67Å; R98-E122 IonicContact CZ-OE2 3.66Å; R98-E122 IonicContact NH1-OE1 2.66Å; R98-E122 IonicContact NH1-OE2 3.74Å; R98-E122 PolarHBondContact NH1-OE2 2.91Å; R98-E122 IonicContact NH2-OE1 3.76Å; R98-E122 PolarHBondContact NH2-OE1 2.77Å; R98-E122 IonicContact NH2-OE2 2.74Å; R98-E122 PolarHBondContact NH2-OE2 2.93Å
99	V	89.3	Confident	85.9	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.006	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-82.8	137.9	173.5	-170	0	0	0	0	110.4	R101 N174 H176 R179	V99-R101 PolarHBondContact O-N 2.77Å; V99-N174 HydrophobicContact CG1-CB 3.64Å; V99-H176 HydrophobicContact CG1-CB 4.14Å; V99-H176 HydrophobicContact CG2-CB 3.89Å; V99-R179 HydrophobicContact CG2-CB 3.54Å
100	P	89.7	Confident	84.4	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.006	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-54.3	130.5	176.7	-25.2	32.1	0	0	0	111.5	A69 C70 S124 C126 N174 S181	A69-P100 HydrophobicContact CB-CB 4.29Å; A69-P100 HydrophobicContact CB-CG 4.09Å; C70-P100 VanDerWaalsContact SG-CD 3.55Å; C70-P100 WeakPolarHBondContact SG-CG 3.4Å; P100-S124 VanDerWaalsContact CG-O 3.3Å; P100-S124 WeakPolarHBondContact CG-O 3.32Å; P100-C126 VanDerWaalsContact CD-SG 3.51Å; P100-N174 PolarHBondContact O-ND2 3.21Å; P100-S181 WeakPolarHBondContact O-CB 3.37Å
101	R	86.4	Confident	82.6	Confident	18 Å²	18	50.4 Å²	50.4	7%	0.068	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-79.5	146.2	-179.6	-68.2	176.8	-179.3	177.9	-2.9	111.1	E19 Q20 T21 V99 R121 E122	E19-R101 IonicContact OE2-CZ 3.3Å; E19-R101 IonicContact OE2-NE 2.84Å; E19-R101 IonicContact OE2-NH2 2.86Å; E19-R101 PolarHBondContact OE2-NH2 3.09Å; Q20-R101 VanDerWaalsContact O-CZ 3.3Å; Q20-R101 PolarHBondContact O-NH1 3.05Å; Q20-R101 VanDerWaalsContact O-NH1 3.09Å; Q20-R101 PolarHBondContact O-NH2 3.21Å; T21-R101 PolarHBondContact O-NH1 3.47Å; V99-R101 PolarHBondContact O-N 2.77Å; R101-R121 VanDerWaalsContact O-CA 3.29Å; R101-R121 WeakPolarHBondContact O-CA 3.36Å; R101-E122 PolarHBondContact O-N 2.72Å
102	I	86.3	Confident	81.1	Confident	6 Å²	6	54.3 Å²	54.3	3%	0.031	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	135.6	165.7	-62.9	-179.9	0	0	0	108.1	V105 W119 E120 R121 T132 L172 N174 T184	I102-V105 HydrophobicContact CG2-CG2 3.65Å; I102-W119 HydrophobicContact CG2-CB 3.63Å; I102-W119 HydrophobicContact CG2-CG 3.74Å; I102-E120 WeakPolarHBondContact CA-O 3Å; I102-R121 HydrophobicContact CG1-CG 4.36Å; I102-T132 HydrophobicContact CD1-CG2 3.82Å; I102-L172 HydrophobicContact CD1-CB 3.84Å; I102-N174 WeakPolarHBondContact CG1-ND2 3.49Å; I102-T184 WeakPolarHBondContact O-CB 3.39Å; I102-T184 PolarHBondContact O-OG1 2.96Å
103	N	83.5	Confident	79.6	Confident	55 Å²	55	59.3 Å²	59.3	29%	0.294	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	173	175	62.3	-1.2	0	0	0	109.9	V105 E120 R121	N103-V105 VanDerWaalsContact C-N 3.29Å; N103-V105 PolarHBondContact O-N 2.79Å; N103-V105 VanDerWaalsContact O-N 3.17Å; N103-E120 PolarHBondContact N-O 2.66Å; N103-E120 CarbonylContact O-C 3.53Å; N103-E120 PolarHBondContact O-N 3.24Å; N103-E120 VanDerWaalsContact O-O 3.12Å; N103-E120 WeakPolarHBondContact OD1-CB 3.01Å; N103-E120 PolarHBondContact OD1-O 3.19Å; N103-R121 PolarHBondContact OD1-N 2.92Å
104	N	82.8	Confident	78.5	Confident	50 Å²	50	57.7 Å²	57.7	27%	0.267	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	47	47.8	178.7	-162.9	23	0	0	0	113.7	Q106 E120	N104-Q106 PolarHBondContact ND2-NE2 2.78Å; N104-Q106 PolarHBondContact O-N 2.82Å; N104-Q106 PolarHBondContact OD1-NE2 3.33Å; N104-Q106 VanDerWaalsContact OD1-NE2 3.16Å; N104-E120 HydrophobicContact CB-CB 4.07Å; N104-E120 HydrophobicContact CB-CG 4.16Å; N104-E120 VanDerWaalsContact ND2-CD 3.27Å; N104-E120 PolarHBondContact ND2-OE1 2.88Å
105	V	82	Confident	77.6	Confident	71 Å²	71	56.5 Å²	56.5	43%	0.43	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	122.6	176.1	-175.9	0	0	0	0	108.6	I102 N103 M117 R118 W119 L172	I102-V105 HydrophobicContact CG2-CG2 3.65Å; N103-V105 VanDerWaalsContact C-N 3.29Å; N103-V105 PolarHBondContact O-N 2.79Å; N103-V105 VanDerWaalsContact O-N 3.17Å; V105-M117 HydrophobicContact CG1-CE 4.43Å; V105-M117 HydrophobicContact CG1-CG 4.13Å; V105-M117 HydrophobicContact CG1-SD 4.05Å; V105-R118 CarbonylContact C-O 3.57Å; V105-R118 WeakPolarHBondContact CA-O 3.48Å; V105-W119 HydrophobicContact CG2-CB 3.99Å; V105-L172 HydrophobicContact CG1-CD1 4.36Å
106	Q	80.6	Confident	77	Confident	86 Å²	86	52.9 Å²	52.9	40%	0.402	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	134.8	179	-65	178.4	11	0	0	109.4	N104 M117 R118	N104-Q106 PolarHBondContact ND2-NE2 2.78Å; N104-Q106 PolarHBondContact O-N 2.82Å; N104-Q106 PolarHBondContact OD1-NE2 3.33Å; N104-Q106 VanDerWaalsContact OD1-NE2 3.16Å; Q106-M117 CarbonylContact O-C 3.59Å; Q106-M117 WeakPolarHBondContact O-CA 3.27Å; Q106-R118 PolarHBondContact N-O 2.85Å; Q106-R118 PolarHBondContact O-N 3.22Å
107	T	73.6	Confident	76.8	Confident	61 Å²	61	51.6 Å²	51.6	37%	0.374	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	122.9	173.6	51	0	0	0	0	108.8	M117 F170	T107-M117 HydrophobicContact CG2-CB 4.46Å; T107-M117 HydrophobicContact CG2-CE 3.64Å; T107-M117 HydrophobicContact CG2-CG 4.22Å; T107-F170 HydrophobicContact CG2-CD2 4.49Å; T107-F170 HydrophobicContact CG2-CE2 4.35Å
108	E	70.8	Confident	76.6	Confident	86 Å²	86	55.4 Å²	55.4	40%	0.402	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	128.6	174.5	-67.9	-178.8	179.2	0	0	108.4	K110 H116	E108-K110 HydrophobicContact CB-CG 4.4Å; E108-K110 PolarHBondContact O-N 3.03Å; E108-K110 WeakPolarHBondContact OE2-CE 3.29Å; E108-K110 IonicContact OE2-NZ 3.43Å; E108-K110 PolarHBondContact OE2-NZ 2.74Å; E108-H116 PolarHBondContact N-O 2.77Å; E108-H116 PolarHBondContact O-N 2.04Å
109	L	67.3	Low	76.6	Confident	112 Å²	112	55.5 Å²	55.5	59%	0.586	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	106.7	166	-170.3	71.5	0	0	0	107.8
110	K	63.3	Low	76.6	Confident	74 Å²	74	60.4 Å²	60.4	32%	0.322	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	106.3	177.8	-76.7	-172.4	179	167.6	0	108.9	E108 Y114 H116	E108-K110 HydrophobicContact CB-CG 4.4Å; E108-K110 PolarHBondContact O-N 3.03Å; E108-K110 WeakPolarHBondContact OE2-CE 3.29Å; E108-K110 IonicContact OE2-NZ 3.43Å; E108-K110 PolarHBondContact OE2-NZ 2.74Å; K110-Y114 HydrophobicContact CB-CD2 4.04Å; K110-Y114 HydrophobicContact CB-CE2 3.41Å; K110-Y114 VanDerWaalsContact CB-CE2 3.41Å; K110-Y114 HydrophobicContact CD-CE2 4.17Å; K110-Y114 HydrophobicContact CG-CE2 4.36Å; K110-Y114 PolarHBondContact N-O 3.12Å; K110-Y114 VanDerWaalsContact N-O 3.11Å; K110-Y114 WeakPolarHBondContact O-CD1 3.36Å; K110-Y114 WeakPolarHBondContact O-CE1 3.19Å; K110-H116 HydrophobicContact CD-CB 4.09Å; K110-H116 HydrophobicContact CG-CB 4.36Å; K110-H116 PolarHBondContact NZ-ND1 3.29Å
111	S	54.9	Low	76.3	Confident	73 Å²	73	63 Å²	63	51%	0.51	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	171.8	-172.5	79.2	0	0	0	0	113	L113	S111-L113 PolarHBondContact O-N 2.83Å
112	T	60	Low	76.3	Confident	122 Å²	122	66.8 Å²	66.8	75%	0.748	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	1.4	-177.1	48.4	0	0	0	0	114.7
113	L	62.7	Low	76.3	Confident	124 Å²	124	71.8 Å²	71.8	65%	0.649	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	-22.6	-167	-66.2	176	0	0	0	115.9	S111	S111-L113 PolarHBondContact O-N 2.83Å
114	Y	68.5	Low	76.5	Confident	81 Å²	81	73.2 Å²	73.2	32%	0.318	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	141.7	-178.4	61.8	-86.1	0	0	0	114.6	K110 V157	K110-Y114 HydrophobicContact CB-CD2 4.04Å; K110-Y114 HydrophobicContact CB-CE2 3.41Å; K110-Y114 VanDerWaalsContact CB-CE2 3.41Å; K110-Y114 HydrophobicContact CD-CE2 4.17Å; K110-Y114 HydrophobicContact CG-CE2 4.36Å; K110-Y114 PolarHBondContact N-O 3.12Å; K110-Y114 VanDerWaalsContact N-O 3.11Å; K110-Y114 WeakPolarHBondContact O-CD1 3.36Å; K110-Y114 WeakPolarHBondContact O-CE1 3.19Å; Y114-V157 WeakPolarHBondContact CA-O 3.46Å; Y114-V157 WeakPolarHBondContact CB-O 3.43Å
115	S	72.2	Confident	76.8	Confident	9 Å²	9	72.4 Å²	72.4	6%	0.063	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	131.4	166.6	-57.8	0	0	0	0	108.4	V157 E168	S115-V157 PolarHBondContact N-O 3.44Å; S115-V157 VanDerWaalsContact O-CB 3.24Å; S115-V157 WeakPolarHBondContact O-CB 3.45Å; S115-V157 WeakPolarHBondContact O-CG2 3.48Å; S115-V157 PolarHBondContact O-N 3.28Å; S115-E168 PolarHBondContact OG-OE2 2.85Å; S115-E168 VanDerWaalsContact OG-OE2 3.1Å
116	H	79.4	Confident	77.2	Confident	6 Å²	6	70.4 Å²	70.4	3%	0.028	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	120.7	170.9	-179	-156.3	0	0	0	108.2	E108 K110 R118 E154 H156	E108-H116 PolarHBondContact N-O 2.77Å; E108-H116 PolarHBondContact O-N 2.04Å; K110-H116 HydrophobicContact CD-CB 4.09Å; K110-H116 HydrophobicContact CG-CB 4.36Å; K110-H116 PolarHBondContact NZ-ND1 3.29Å; H116-R118 VanDerWaalsContact CE1-CD 3.49Å; H116-R118 WeakPolarHBondContact CE1-CD 3.44Å; H116-E154 IonicContact CE1-OE2 3.33Å; H116-E154 PolarHBondContact CE1-OE2 3.4Å; H116-E154 IonicContact NE2-OE2 2.87Å; H116-E154 PolarHBondContact NE2-OE2 3.41Å; H116-H156 AromaticContact CD2-CE1 3.37Å; H116-H156 PolarHBondContact CD2-CE1 3.15Å; H116-H156 AromaticContact CD2-ND1 3.53Å; H116-H156 AromaticContact CG-CE1 3.97Å; H116-H156 AromaticContact NE2-CE1 3.43Å; H116-H156 PolarHBondContact NE2-CE1 3.13Å; H116-H156 AromaticContact NE2-NE2 3.95Å
117	M	83.1	Confident	77.7	Confident	2 Å²	2	70.3 Å²	70.3	1%	0.01	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	139.3	173.7	-176.9	-179	-71.5	0	0	110.2	V105 Q106 T107 W119 E154 Y155 F170 L172	V105-M117 HydrophobicContact CG1-CE 4.43Å; V105-M117 HydrophobicContact CG1-CG 4.13Å; V105-M117 HydrophobicContact CG1-SD 4.05Å; Q106-M117 CarbonylContact O-C 3.59Å; Q106-M117 WeakPolarHBondContact O-CA 3.27Å; T107-M117 HydrophobicContact CG2-CB 4.46Å; T107-M117 HydrophobicContact CG2-CE 3.64Å; T107-M117 HydrophobicContact CG2-CG 4.22Å; M117-W119 HydrophobicContact CG-CE3 3.99Å; M117-W119 HydrophobicContact CG-CZ3 4.2Å; M117-W119 HydrophobicContact SD-CE3 4.16Å; M117-W119 HydrophobicContact SD-CZ3 4.25Å; M117-E154 CarbonylContact O-C 3.54Å; M117-E154 WeakPolarHBondContact O-CA 3.48Å; M117-E154 WeakPolarHBondContact O-CB 3.39Å; M117-Y155 PolarHBondContact N-O 2.82Å; M117-Y155 PolarHBondContact O-N 3.06Å; M117-F170 HydrophobicContact CE-CB 3.49Å; M117-F170 VanDerWaalsContact CE-CB 3.49Å; M117-F170 HydrophobicContact CE-CD1 3.25Å; M117-F170 HydrophobicContact CE-CD2 3.52Å; M117-F170 HydrophobicContact CE-CE1 3.66Å; M117-F170 HydrophobicContact CE-CE2 3.92Å; M117-F170 HydrophobicContact CE-CG 3.15Å; M117-F170 HydrophobicContact CE-CZ 3.97Å; M117-F170 HydrophobicContact SD-CD1 4.49Å; M117-L172 HydrophobicContact CE-CD1 3.99Å; M117-L172 HydrophobicContact SD-CD1 3.53Å; M117-L172 VanDerWaalsContact SD-CD1 3.53Å; M117-L172 HydrophobicContact SD-CD2 3.35Å; M117-L172 WeakPolarHBondContact SD-CD2 3.48Å; M117-L172 HydrophobicContact SD-CG 4.03Å
118	R	85.5	Confident	78.5	Confident	119 Å²	119	72.7 Å²	72.7	45%	0.449	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	153.3	170.6	-59	-177.3	69.5	163.2	0.6	110	V105 Q106 H116 V153 E154	V105-R118 CarbonylContact C-O 3.57Å; V105-R118 WeakPolarHBondContact CA-O 3.48Å; Q106-R118 PolarHBondContact N-O 2.85Å; Q106-R118 PolarHBondContact O-N 3.22Å; H116-R118 VanDerWaalsContact CE1-CD 3.49Å; H116-R118 WeakPolarHBondContact CE1-CD 3.44Å; R118-V153 WeakPolarHBondContact CA-O 3.29Å; R118-E154 HydrophobicContact CG-CB 3.9Å
119	W	87.8	Confident	79.4	Confident	9 Å²	9	73.4 Å²	73.4	3%	0.034	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	163.4	173.6	59.8	91.6	0	0	0	111.5	I102 V105 M117 T132 I134 I148 Q152 V153 L172	I102-W119 HydrophobicContact CG2-CB 3.63Å; I102-W119 HydrophobicContact CG2-CG 3.74Å; V105-W119 HydrophobicContact CG2-CB 3.99Å; M117-W119 HydrophobicContact CG-CE3 3.99Å; M117-W119 HydrophobicContact CG-CZ3 4.2Å; M117-W119 HydrophobicContact SD-CE3 4.16Å; M117-W119 HydrophobicContact SD-CZ3 4.25Å; W119-T132 HydrophobicContact CZ2-CG2 4.14Å; W119-I134 HydrophobicContact CH2-CD1 4.07Å; W119-I134 HydrophobicContact CZ3-CD1 4.38Å; W119-I148 HydrophobicContact CH2-CD1 3.49Å; W119-I148 VanDerWaalsContact CH2-CD1 3.49Å; W119-I148 HydrophobicContact CZ2-CD1 3.72Å; W119-Q152 WeakPolarHBondContact CZ2-O 3.45Å; W119-V153 PolarHBondContact N-O 2.84Å; W119-L172 HydrophobicContact CD2-CD2 4.18Å; W119-L172 HydrophobicContact CE3-CD2 3.78Å; W119-L172 HydrophobicContact CH2-CD2 4.37Å; W119-L172 HydrophobicContact CZ3-CD2 3.89Å
120	E	87.7	Confident	80.6	Confident	104 Å²	104	68.4 Å²	68.4	49%	0.486	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	170.8	168.5	-70.8	172.7	-160	0	0	110	I102 N103 N104	I102-E120 WeakPolarHBondContact CA-O 3Å; N103-E120 PolarHBondContact N-O 2.66Å; N103-E120 CarbonylContact O-C 3.53Å; N103-E120 PolarHBondContact O-N 3.24Å; N103-E120 VanDerWaalsContact O-O 3.12Å; N103-E120 WeakPolarHBondContact OD1-CB 3.01Å; N103-E120 PolarHBondContact OD1-O 3.19Å; N104-E120 HydrophobicContact CB-CB 4.07Å; N104-E120 HydrophobicContact CB-CG 4.16Å; N104-E120 VanDerWaalsContact ND2-CD 3.27Å; N104-E120 PolarHBondContact ND2-OE1 2.88Å
121	R	85.1	Confident	82	Confident	54 Å²	54	66.1 Å²	66.1	20%	0.204	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	146.5	174.1	-68.6	174.6	-75.7	154.2	-11	109.2	R101 I102 N103 R123 S150	R101-R121 VanDerWaalsContact O-CA 3.29Å; R101-R121 WeakPolarHBondContact O-CA 3.36Å; I102-R121 HydrophobicContact CG1-CG 4.36Å; N103-R121 PolarHBondContact OD1-N 2.92Å; R121-R123 WeakPolarHBondContact CB-O 3.26Å; R121-R123 PolarHBondContact O-N 2.78Å; R121-S150 PolarHBondContact NH1-O 2.89Å; R121-S150 PolarHBondContact NH2-O 2.87Å
122	E	85.7	Confident	83.7	Confident	98 Å²	98	62.7 Å²	62.7	46%	0.458	33%	0.327	S	S	.	.	S	Bend	trans	-57.7	-33.6	175.8	-174.5	-169.5	167.4	0	0	112.6	R98 R101	R98-E122 IonicContact CZ-OE1 3.67Å; R98-E122 IonicContact CZ-OE2 3.66Å; R98-E122 IonicContact NH1-OE1 2.66Å; R98-E122 IonicContact NH1-OE2 3.74Å; R98-E122 PolarHBondContact NH1-OE2 2.91Å; R98-E122 IonicContact NH2-OE1 3.76Å; R98-E122 PolarHBondContact NH2-OE1 2.77Å; R98-E122 IonicContact NH2-OE2 2.74Å; R98-E122 PolarHBondContact NH2-OE2 2.93Å; R101-E122 PolarHBondContact O-N 2.72Å
123	R	86.8	Confident	85.2	Confident	112 Å²	112	57.5 Å²	57.5	42%	0.423	30%	0.295	S	S	.	.	S	Bend	trans	-151.7	165.5	177	-174.2	175.9	-106.8	-179.5	-4.9	110	A69 R121	A69-R123 HydrophobicContact CB-CB 4.46Å; A69-R123 PolarHBondContact O-NH1 3.44Å; R121-R123 WeakPolarHBondContact CB-O 3.26Å; R121-R123 PolarHBondContact O-N 2.78Å
124	S	87.2	Confident	86.4	Confident	84 Å²	84	51.6 Å²	51.6	59%	0.587	26%	0.264	S	S	*	.			trans	-51.8	162.1	162.3	60.5	0	0	0	0	111.9	P100	P100-S124 VanDerWaalsContact CG-O 3.3Å; P100-S124 WeakPolarHBondContact CG-O 3.32Å
125	T	89	Confident	87.2	Confident	34 Å²	34	48.7 Å²	48.7	21%	0.209	25%	0.253	C	S	.	.			trans	-61.9	157.6	175.9	45.7	0	0	0	0	113.1	E127 D130 S150	T125-E127 VanDerWaalsContact CB-O 3.31Å; T125-E127 WeakPolarHBondContact CB-O 3.15Å; T125-E127 PolarHBondContact OG1-O 2.99Å; T125-D130 WeakPolarHBondContact CB-OD2 3.38Å; T125-D130 HydrophobicContact CG2-CB 3.96Å; T125-S150 WeakPolarHBondContact CG2-OG 3.48Å
126	C	90	Very high	87.7	Confident	28 Å²	28	49.5 Å²	49.5	19%	0.189	26%	0.255	C	S	.	.	S	Bend	trans	-73	-41.2	177.1	-56.9	0	0	0	0	109.6	C70 P100 D130	C70-C126 WeakPolarHBondContact CA-SG 3.45Å; C70-C126 HydrophobicContact CB-CB 3.72Å; C70-C126 WeakPolarHBondContact CB-SG 3.3Å; C70-C126 WeakPolarHBondContact SG-CA 3.21Å; C70-C126 WeakPolarHBondContact SG-CB 3.47Å; C70-C126 PolarHBondContact SG-N 3.02Å; C70-C126 CovalentContact SG-SG 2.04Å; C70-C126 PolarHBondContact SG-SG 2.84Å; P100-C126 VanDerWaalsContact CD-SG 3.51Å; C126-D130 WeakPolarHBondContact CA-OD2 3.27Å; C126-D130 WeakPolarHBondContact CB-OD2 3.4Å; C126-D130 PolarHBondContact N-OD2 3.14Å
127	E	92	Very high	87.6	Confident	84 Å²	84	49.7 Å²	49.7	39%	0.393	26%	0.258	S	S	.	.	S	Bend	trans	-136.3	163	176.1	-66.2	-174.5	-174.4	0	0	111.5	T125 T129 D130 H176	T125-E127 VanDerWaalsContact CB-O 3.31Å; T125-E127 WeakPolarHBondContact CB-O 3.15Å; T125-E127 PolarHBondContact OG1-O 2.99Å; E127-T129 WeakPolarHBondContact CB-OG1 3.35Å; E127-T129 PolarHBondContact O-N 3.44Å; E127-T129 PolarHBondContact OE2-OG1 3.47Å; E127-D130 PolarHBondContact N-OD2 3.27Å; E127-D130 WeakPolarHBondContact O-CB 3.38Å; E127-D130 PolarHBondContact O-N 3Å; E127-H176 IonicContact OE1-CE1 3.36Å
128	S	89	Confident	87.4	Confident	111 Å²	111	50.7 Å²	50.7	78%	0.776	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-20.2	175.8	53.4	0	0	0	0	113.2
129	T	91.2	Very high	86.9	Confident	101 Å²	101	48 Å²	48	62%	0.62	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-12.2	178.4	45.9	0	0	0	0	113	E127	E127-T129 WeakPolarHBondContact CB-OG1 3.35Å; E127-T129 PolarHBondContact O-N 3.44Å; E127-T129 PolarHBondContact OE2-OG1 3.47Å
130	D	92.2	Very high	86.4	Confident	7 Å²	7	52.6 Å²	52.6	4%	0.037	29%	0.291	C	S	.	.			trans	-56.2	148	176.2	-69.6	-6.8	0	0	0	110.3	T125 C126 E127 S150 I175 H176	T125-D130 WeakPolarHBondContact CB-OD2 3.38Å; T125-D130 HydrophobicContact CG2-CB 3.96Å; C126-D130 WeakPolarHBondContact CA-OD2 3.27Å; C126-D130 WeakPolarHBondContact CB-OD2 3.4Å; C126-D130 PolarHBondContact N-OD2 3.14Å; E127-D130 PolarHBondContact N-OD2 3.27Å; E127-D130 WeakPolarHBondContact O-CB 3.38Å; E127-D130 PolarHBondContact O-N 3Å; D130-S150 VanDerWaalsContact C-CB 3.41Å; D130-S150 VanDerWaalsContact CB-OG 3.29Å; D130-S150 WeakPolarHBondContact CB-OG 2.8Å; D130-S150 WeakPolarHBondContact O-CB 3.37Å; D130-S150 PolarHBondContact O-N 3.5Å; D130-S150 VanDerWaalsContact O-N 3.11Å; D130-S150 PolarHBondContact O-OG 2.85Å; D130-I175 WeakPolarHBondContact CB-O 3.46Å; D130-H176 IonicContact OD1-CE1 3.79Å; D130-H176 IonicContact OD1-CG 2.85Å; D130-H176 IonicContact OD1-ND1 3.26Å; D130-H176 PolarHBondContact OD1-ND1 3.46Å; D130-H176 IonicContact OD2-ND1 3.42Å
131	S	92.8	Very high	85.9	Confident	27 Å²	27	52.3 Å²	52.3	19%	0.189	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	159.9	-179.6	-61.2	0	0	0	0	111.1	I148 N174 I175	S131-I148 CarbonylContact C-O 3.57Å; S131-I148 WeakPolarHBondContact CA-O 3.24Å; S131-I148 WeakPolarHBondContact CB-O 3.39Å; S131-N174 CarbonylContact O-C 3.54Å; S131-N174 WeakPolarHBondContact O-CA 3.41Å; S131-I175 PolarHBondContact N-O 3.24Å; S131-I175 WeakPolarHBondContact O-CG1 3.45Å; S131-I175 PolarHBondContact O-N 3.25Å
132	T	91	Very high	85.7	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	127.9	167.4	-58.6	0	0	0	0	107.6	I102 W119 I134 I148 F173 N174	I102-T132 HydrophobicContact CD1-CG2 3.82Å; W119-T132 HydrophobicContact CZ2-CG2 4.14Å; T132-I134 HydrophobicContact CG2-CG1 4.28Å; T132-I148 HydrophobicContact CG2-CD1 4.47Å; T132-I148 HydrophobicContact CG2-CG1 4.39Å; T132-I148 PolarHBondContact N-O 2.92Å; T132-I148 WeakPolarHBondContact O-CG1 3.36Å; T132-I148 PolarHBondContact O-N 2.9Å; T132-F173 WeakPolarHBondContact CA-O 3.4Å; T132-N174 PolarHBondContact OG1-OD1 3.23Å
133	I	89.9	Confident	85.5	Confident	14 Å²	14	56.1 Å²	56.1	7%	0.072	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	131.5	172	-60.5	-170.3	0	0	0	108.1	F135 M145 F146 I147 L172 F173 I175	I133-F135 HydrophobicContact CG2-CD2 4.13Å; I133-F135 HydrophobicContact CG2-CE2 3.63Å; I133-F135 HydrophobicContact CG2-CZ 4.09Å; I133-M145 HydrophobicContact CG2-CG 3.78Å; I133-M145 HydrophobicContact CG2-SD 4.39Å; I133-F146 WeakPolarHBondContact CA-O 3.23Å; I133-I147 HydrophobicContact CG1-CG1 4.47Å; I133-L172 WeakPolarHBondContact O-CA 3.41Å; I133-F173 HydrophobicContact CB-CD2 4.15Å; I133-F173 HydrophobicContact CB-CE1 4.41Å; I133-F173 HydrophobicContact CB-CE2 3.73Å; I133-F173 HydrophobicContact CB-CZ 3.87Å; I133-F173 HydrophobicContact CD1-CE2 3.8Å; I133-F173 HydrophobicContact CD1-CZ 4.19Å; I133-F173 HydrophobicContact CG1-CE2 4.08Å; I133-F173 HydrophobicContact CG2-CE1 4.29Å; I133-F173 HydrophobicContact CG2-CE2 4.22Å; I133-F173 HydrophobicContact CG2-CZ 3.84Å; I133-F173 PolarHBondContact N-O 3.36Å; I133-F173 PolarHBondContact O-N 2.89Å; I133-F173 VanDerWaalsContact O-N 3.11Å; I133-I175 HydrophobicContact CD1-CD1 4.05Å; I133-I175 HydrophobicContact CD1-CG2 3.65Å; I133-I175 HydrophobicContact CG1-CD1 4.14Å; I133-I175 HydrophobicContact CG1-CG1 4.44Å; I133-I175 HydrophobicContact CG1-CG2 3.82Å
134	I	87.9	Confident	85.5	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	117.5	174.3	-54.2	178.8	0	0	0	107.7	W119 T132 R136 M145 F146 I148 Y155 I171 L172	W119-I134 HydrophobicContact CH2-CD1 4.07Å; W119-I134 HydrophobicContact CZ3-CD1 4.38Å; T132-I134 HydrophobicContact CG2-CG1 4.28Å; I134-R136 HydrophobicContact CG2-CB 4.48Å; I134-M145 CarbonylContact O-C 3.49Å; I134-M145 WeakPolarHBondContact O-CA 3.11Å; I134-F146 HydrophobicContact CB-CB 4.29Å; I134-F146 PolarHBondContact N-O 2.91Å; I134-F146 PolarHBondContact O-N 3.34Å; I134-I148 HydrophobicContact CD1-CD1 3.7Å; I134-I148 HydrophobicContact CD1-CG1 4.36Å; I134-I148 HydrophobicContact CG1-CD1 4.47Å; I134-Y155 HydrophobicContact CD1-CD1 4.13Å; I134-Y155 HydrophobicContact CD1-CD2 4.03Å; I134-Y155 HydrophobicContact CD1-CG 3.74Å; I134-I171 CarbonylContact C-O 3.6Å; I134-I171 WeakPolarHBondContact CA-O 3.21Å; I134-L172 HydrophobicContact CD1-CD2 3.97Å; I134-L172 HydrophobicContact CG1-CD2 3.78Å; I134-L172 HydrophobicContact CG1-CG 4.13Å; I134-L172 HydrophobicContact CG2-CD2 4.44Å; I134-L172 HydrophobicContact CG2-CG 4.28Å
135	F	86.4	Confident	85.5	Confident	20 Å²	20	55.9 Å²	55.9	9%	0.088	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	132.5	159	-65.8	-85.9	0	0	0	109.1	I133 L143 Q144 M145 F170 I171 F173 V224	I133-F135 HydrophobicContact CG2-CD2 4.13Å; I133-F135 HydrophobicContact CG2-CE2 3.63Å; I133-F135 HydrophobicContact CG2-CZ 4.09Å; F135-L143 HydrophobicContact CB-CB 3.91Å; F135-L143 HydrophobicContact CB-CD1 3.79Å; F135-L143 HydrophobicContact CD1-CB 4.21Å; F135-Q144 CarbonylContact C-O 3.57Å; F135-Q144 VanDerWaalsContact CA-O 3.32Å; F135-Q144 WeakPolarHBondContact CA-O 3.25Å; F135-M145 HydrophobicContact CD1-CB 4.17Å; F135-M145 HydrophobicContact CE1-CB 3.84Å; F135-M145 HydrophobicContact CE1-CE 3.66Å; F135-M145 HydrophobicContact CE1-CG 4.02Å; F135-M145 HydrophobicContact CZ-CB 4.46Å; F135-M145 HydrophobicContact CZ-CE 3.45Å; F135-M145 VanDerWaalsContact CZ-CE 3.45Å; F135-M145 HydrophobicContact CZ-CG 4.13Å; F135-F170 CarbonylContact O-C 3.59Å; F135-F170 VanDerWaalsContact O-CA 3.28Å; F135-F170 WeakPolarHBondContact O-CA 3.34Å; F135-I171 HydrophobicContact CB-CB 4.09Å; F135-I171 HydrophobicContact CD2-CB 4.33Å; F135-I171 PolarHBondContact N-O 2.87Å; F135-I171 PolarHBondContact O-N 2.85Å; F135-F173 AromaticContact CD2-CE1 3.94Å; F135-F173 HydrophobicContact CD2-CE1 3.94Å; F135-F173 HydrophobicContact CD2-CZ 4.46Å; F135-F173 AromaticContact CE2-CE1 3.6Å; F135-F173 HydrophobicContact CE2-CE1 3.6Å; F135-F173 AromaticContact CE2-CZ 3.7Å; F135-F173 HydrophobicContact CE2-CZ 3.7Å; F135-V224 HydrophobicContact CE1-CG1 4.1Å; F135-V224 HydrophobicContact CE1-CG2 4.2Å; F135-V224 HydrophobicContact CE2-CG1 4.42Å; F135-V224 HydrophobicContact CE2-CG2 3.59Å; F135-V224 HydrophobicContact CZ-CB 3.98Å; F135-V224 HydrophobicContact CZ-CG1 3.44Å; F135-V224 VanDerWaalsContact CZ-CG1 3.44Å; F135-V224 HydrophobicContact CZ-CG2 3.29Å
136	R	81.5	Confident	85.4	Confident	26 Å²	26	56.8 Å²	56.8	10%	0.098	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	138.5	177.9	175.9	-167.8	173.6	-121.5	-4.4	110.5	I134 L143 Q144 F146 E168 V169 F170	I134-R136 HydrophobicContact CG2-CB 4.48Å; R136-L143 CarbonylContact O-C 3.58Å; R136-L143 WeakPolarHBondContact O-CA 2.93Å; R136-Q144 PolarHBondContact N-O 2.95Å; R136-Q144 PolarHBondContact O-N 2.93Å; R136-F146 HydrophobicContact CB-CD2 4.34Å; R136-F146 HydrophobicContact CB-CE2 4Å; R136-E168 IonicContact CZ-OE1 3.93Å; R136-E168 VanDerWaalsContact CZ-OE1 3.3Å; R136-E168 IonicContact NE-OE1 3.73Å; R136-E168 PolarHBondContact NE-OE1 2.87Å; R136-E168 IonicContact NH2-OE1 3.19Å; R136-E168 PolarHBondContact NH2-OE1 2.8Å; R136-V169 WeakPolarHBondContact CA-O 3.23Å; R136-F170 HydrophobicContact CB-CD1 4Å; R136-F170 HydrophobicContact CB-CE1 4.2Å; R136-F170 HydrophobicContact CG-CD1 3.85Å; R136-F170 HydrophobicContact CG-CE1 3.6Å; R136-F170 HydrophobicContact CG-CZ 4.4Å
137	G	78.6	Confident	85.5	Confident	10 Å²	10	60.6 Å²	60.6	10%	0.103	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-180	-159.2	168.3	0	0	0	0	0	110.3	V169	G137-V169 PolarHBondContact N-O 3.31Å; G137-V169 VanDerWaalsContact N-O 3.14Å; G137-V169 PolarHBondContact O-N 2.82Å
138	Y	79.2	Confident	85.5	Confident	22 Å²	22	57.6 Å²	57.6	9%	0.086	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	150.2	172.1	-59.2	-74.8	0	0	0	109.6	T140 Q141 K161 A162 M166 E167	Y138-T140 PolarHBondContact O-N 2.88Å; Y138-Q141 PolarHBondContact O-N 3.21Å; Y138-Q141 VanDerWaalsContact O-O 3.12Å; Y138-K161 VanDerWaalsContact OH-C 3.24Å; Y138-K161 PolarHBondContact OH-N 3.39Å; Y138-K161 PolarHBondContact OH-O 2.77Å; Y138-A162 HydrophobicContact CE1-CB 3.82Å; Y138-A162 PolarHBondContact OH-N 2.91Å; Y138-M166 HydrophobicContact CD1-CB 3.81Å; Y138-M166 HydrophobicContact CD1-SD 4.33Å; Y138-M166 HydrophobicContact CD2-SD 4.26Å; Y138-M166 HydrophobicContact CG-CB 4.17Å; Y138-M166 HydrophobicContact CG-SD 3.97Å; Y138-E167 CarbonylContact C-O 3.52Å; Y138-E167 VanDerWaalsContact CA-O 3.3Å; Y138-E167 WeakPolarHBondContact CA-O 3.31Å
139	S	74.8	Confident	85.6	Confident	64 Å²	64	54.5 Å²	54.5	45%	0.448	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-22.8	-177.1	55.7	0	0	0	0	114.9	E167	S139-E167 PolarHBondContact N-O 2.89Å; S139-E167 PolarHBondContact OG-N 3.29Å
140	T	77.5	Confident	85.4	Confident	105 Å²	105	49.7 Å²	49.7	64%	0.644	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	2.8	178.3	56.7	0	0	0	0	114	Y138	Y138-T140 PolarHBondContact O-N 2.88Å
141	Q	75.6	Confident	85.1	Confident	98 Å²	98	53.2 Å²	53.2	46%	0.458	29%	0.285	S	S	.	.	S	Bend	trans	-126.4	161.7	-173.2	-61.3	-176.4	22	0	0	111.9	Y138 L143 M166	Y138-Q141 PolarHBondContact O-N 3.21Å; Y138-Q141 VanDerWaalsContact O-O 3.12Å; Q141-L143 PolarHBondContact O-N 2.93Å; Q141-M166 PolarHBondContact NE2-SD 2.89Å; Q141-M166 VanDerWaalsContact NE2-SD 3.43Å
142	Q	80.9	Confident	85	Confident	184 Å²	184	56.4 Å²	56.4	86%	0.86	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-63.3	134	172	-174.9	175.9	3.4	0	0	110.2
143	L	83	Confident	85	Confident	48 Å²	48	58.9 Å²	58.9	25%	0.251	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-77.9	132.5	175.1	-49.8	-178.3	0	0	0	110.1	F135 R136 Q141 V169 I171	F135-L143 HydrophobicContact CB-CB 3.91Å; F135-L143 HydrophobicContact CB-CD1 3.79Å; F135-L143 HydrophobicContact CD1-CB 4.21Å; R136-L143 CarbonylContact O-C 3.58Å; R136-L143 WeakPolarHBondContact O-CA 2.93Å; Q141-L143 PolarHBondContact O-N 2.93Å; L143-V169 HydrophobicContact CD1-CG1 4.35Å; L143-V169 HydrophobicContact CD2-CB 4.19Å; L143-V169 HydrophobicContact CD2-CG1 4.42Å; L143-I171 HydrophobicContact CD1-CD1 3.86Å; L143-I171 HydrophobicContact CD1-CG1 4.46Å
144	Q	85.2	Confident	84.9	Confident	121 Å²	121	61.9 Å²	61.9	57%	0.565	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	137.1	168.4	-67.2	-179	-14.7	0	0	109.8	F135 R136 F146	F135-Q144 CarbonylContact C-O 3.57Å; F135-Q144 VanDerWaalsContact CA-O 3.32Å; F135-Q144 WeakPolarHBondContact CA-O 3.25Å; R136-Q144 PolarHBondContact N-O 2.95Å; R136-Q144 PolarHBondContact O-N 2.93Å; Q144-F146 HydrophobicContact CB-CE2 3.63Å; Q144-F146 HydrophobicContact CB-CZ 3.85Å
145	M	87.2	Confident	84.8	Confident	70 Å²	70	63.9 Å²	63.9	35%	0.345	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	133.6	175.4	-174.8	-163.8	-74.1	0	0	109.7	I133 I134 F135 I147 V224	I133-M145 HydrophobicContact CG2-CG 3.78Å; I133-M145 HydrophobicContact CG2-SD 4.39Å; I134-M145 CarbonylContact O-C 3.49Å; I134-M145 WeakPolarHBondContact O-CA 3.11Å; F135-M145 HydrophobicContact CD1-CB 4.17Å; F135-M145 HydrophobicContact CE1-CB 3.84Å; F135-M145 HydrophobicContact CE1-CE 3.66Å; F135-M145 HydrophobicContact CE1-CG 4.02Å; F135-M145 HydrophobicContact CZ-CB 4.46Å; F135-M145 HydrophobicContact CZ-CE 3.45Å; F135-M145 VanDerWaalsContact CZ-CE 3.45Å; F135-M145 HydrophobicContact CZ-CG 4.13Å; M145-I147 HydrophobicContact SD-CD1 4.27Å; M145-I147 HydrophobicContact SD-CG1 4.24Å; M145-V224 HydrophobicContact CE-CG1 3.35Å
146	F	88.6	Confident	84.7	Confident	53 Å²	53	67.5 Å²	67.5	23%	0.232	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	136.4	170.4	-56.5	-87	0	0	0	108.6	I133 I134 R136 Q144 Y155	I133-F146 WeakPolarHBondContact CA-O 3.23Å; I134-F146 HydrophobicContact CB-CB 4.29Å; I134-F146 PolarHBondContact N-O 2.91Å; I134-F146 PolarHBondContact O-N 3.34Å; R136-F146 HydrophobicContact CB-CD2 4.34Å; R136-F146 HydrophobicContact CB-CE2 4Å; Q144-F146 HydrophobicContact CB-CE2 3.63Å; Q144-F146 HydrophobicContact CB-CZ 3.85Å; F146-Y155 WeakPolarHBondContact CD1-OH 3.36Å; F146-Y155 WeakPolarHBondContact CE1-OH 3.29Å; F146-Y155 WeakPolarHBondContact CG-OH 3.34Å
147	I	91	Very high	84.3	Confident	107 Å²	107	66.4 Å²	66.4	55%	0.549	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	121.5	175.4	-56	173.5	0	0	0	106.3	I133 M145	I133-I147 HydrophobicContact CG1-CG1 4.47Å; M145-I147 HydrophobicContact SD-CD1 4.27Å; M145-I147 HydrophobicContact SD-CG1 4.24Å
148	I	91.5	Very high	83.9	Confident	21 Å²	21	71.5 Å²	71.5	11%	0.108	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	160.5	-179.7	65.3	169.4	0	0	0	109.5	W119 S131 T132 I134 S150 Q152 Y155	W119-I148 HydrophobicContact CH2-CD1 3.49Å; W119-I148 VanDerWaalsContact CH2-CD1 3.49Å; W119-I148 HydrophobicContact CZ2-CD1 3.72Å; S131-I148 CarbonylContact C-O 3.57Å; S131-I148 WeakPolarHBondContact CA-O 3.24Å; S131-I148 WeakPolarHBondContact CB-O 3.39Å; T132-I148 HydrophobicContact CG2-CD1 4.47Å; T132-I148 HydrophobicContact CG2-CG1 4.39Å; T132-I148 PolarHBondContact N-O 2.92Å; T132-I148 WeakPolarHBondContact O-CG1 3.36Å; T132-I148 PolarHBondContact O-N 2.9Å; I134-I148 HydrophobicContact CD1-CD1 3.7Å; I134-I148 HydrophobicContact CD1-CG1 4.36Å; I134-I148 HydrophobicContact CG1-CD1 4.47Å; I148-S150 PolarHBondContact O-N 2.97Å; I148-Q152 HydrophobicContact CD1-CB 4.15Å; I148-Y155 HydrophobicContact CG2-CD2 4.19Å; I148-Y155 HydrophobicContact CG2-CE2 4.25Å
149	S	91.9	Very high	83.2	Confident	46 Å²	46	77.1 Å²	77.1	32%	0.322	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	135	174.2	175.5	0	0	0	0	109	S151 Q152	S149-S151 PolarHBondContact O-N 2.85Å; S149-S151 VanDerWaalsContact O-N 3.07Å; S149-S151 PolarHBondContact OG-N 2.67Å; S149-S151 PolarHBondContact OG-OG 3.02Å; S149-Q152 VanDerWaalsContact O-CB 3.3Å; S149-Q152 WeakPolarHBondContact O-CB 3.21Å; S149-Q152 PolarHBondContact O-N 2.89Å
150	S	87.3	Confident	82.4	Confident	0 Å²	0	77.8 Å²	77.8	0%	0	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-11.3	175.2	62.7	0	0	0	0	114.3	R121 T125 D130 I148 Q152	R121-S150 PolarHBondContact NH1-O 2.89Å; R121-S150 PolarHBondContact NH2-O 2.87Å; T125-S150 WeakPolarHBondContact CG2-OG 3.48Å; D130-S150 VanDerWaalsContact C-CB 3.41Å; D130-S150 VanDerWaalsContact CB-OG 3.29Å; D130-S150 WeakPolarHBondContact CB-OG 2.8Å; D130-S150 WeakPolarHBondContact O-CB 3.37Å; D130-S150 PolarHBondContact O-N 3.5Å; D130-S150 VanDerWaalsContact O-N 3.11Å; D130-S150 PolarHBondContact O-OG 2.85Å; I148-S150 PolarHBondContact O-N 2.97Å; S150-Q152 VanDerWaalsContact C-N 3.26Å
151	S	86.4	Confident	81.6	Confident	81 Å²	81	81.3 Å²	81.3	57%	0.566	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-25.8	168.9	65.2	0	0	0	0	112.4	S149	S149-S151 PolarHBondContact O-N 2.85Å; S149-S151 VanDerWaalsContact O-N 3.07Å; S149-S151 PolarHBondContact OG-N 2.67Å; S149-S151 PolarHBondContact OG-OG 3.02Å
152	Q	90.6	Very high	81	Confident	95 Å²	95	78.4 Å²	78.4	44%	0.444	40%	0.397	S	S	.	.			trans	-76.1	134.5	177.3	-61.1	178.4	-66.4	0	0	109.5	W119 I148 S149 S150	W119-Q152 WeakPolarHBondContact CZ2-O 3.45Å; I148-Q152 HydrophobicContact CD1-CB 4.15Å; S149-Q152 VanDerWaalsContact O-CB 3.3Å; S149-Q152 WeakPolarHBondContact O-CB 3.21Å; S149-Q152 PolarHBondContact O-N 2.89Å; S150-Q152 VanDerWaalsContact C-N 3.26Å
153	V	89.5	Confident	80.2	Confident	51 Å²	51	76.4 Å²	76.4	31%	0.309	39%	0.388	S	S	.	.			trans	-122.4	12.5	179.6	-65	0	0	0	0	111.8	R118 W119	R118-V153 WeakPolarHBondContact CA-O 3.29Å; W119-V153 PolarHBondContact N-O 2.84Å
154	E	89.2	Confident	79.2	Confident	77 Å²	77	82.2 Å²	82.2	36%	0.36	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	152.6	175.7	67.8	-178.1	175.4	0	0	110.9	H116 M117 R118	H116-E154 IonicContact CE1-OE2 3.33Å; H116-E154 PolarHBondContact CE1-OE2 3.4Å; H116-E154 IonicContact NE2-OE2 2.87Å; H116-E154 PolarHBondContact NE2-OE2 3.41Å; M117-E154 CarbonylContact O-C 3.54Å; M117-E154 WeakPolarHBondContact O-CA 3.48Å; M117-E154 WeakPolarHBondContact O-CB 3.39Å; R118-E154 HydrophobicContact CG-CB 3.9Å
155	Y	85.8	Confident	78.3	Confident	42 Å²	42	79.3 Å²	79.3	17%	0.165	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	129.2	179.3	-175.5	-106.9	0	0	0	109.7	M117 I134 F146 I148 V157	M117-Y155 PolarHBondContact N-O 2.82Å; M117-Y155 PolarHBondContact O-N 3.06Å; I134-Y155 HydrophobicContact CD1-CD1 4.13Å; I134-Y155 HydrophobicContact CD1-CD2 4.03Å; I134-Y155 HydrophobicContact CD1-CG 3.74Å; F146-Y155 WeakPolarHBondContact CD1-OH 3.36Å; F146-Y155 WeakPolarHBondContact CE1-OH 3.29Å; F146-Y155 WeakPolarHBondContact CG-OH 3.34Å; I148-Y155 HydrophobicContact CG2-CD2 4.19Å; I148-Y155 HydrophobicContact CG2-CE2 4.25Å; Y155-V157 HydrophobicContact CD1-CG2 3.66Å; Y155-V157 HydrophobicContact CE1-CG2 3.73Å
156	H	83.7	Confident	77.4	Confident	97 Å²	97	77.7 Å²	77.7	45%	0.449	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	131.8	178.5	-64.9	-76.1	0	0	0	110.3	H116	H116-H156 AromaticContact CD2-CE1 3.37Å; H116-H156 PolarHBondContact CD2-CE1 3.15Å; H116-H156 AromaticContact CD2-ND1 3.53Å; H116-H156 AromaticContact CG-CE1 3.97Å; H116-H156 AromaticContact NE2-CE1 3.43Å; H116-H156 PolarHBondContact NE2-CE1 3.13Å; H116-H156 AromaticContact NE2-NE2 3.95Å
157	V	72.2	Confident	76.6	Confident	2 Å²	2	81 Å²	81	1%	0.012	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	105.7	-172	-177.8	0	0	0	0	110.3	Y114 S115 Y155 F170	Y114-V157 WeakPolarHBondContact CA-O 3.46Å; Y114-V157 WeakPolarHBondContact CB-O 3.43Å; S115-V157 PolarHBondContact N-O 3.44Å; S115-V157 VanDerWaalsContact O-CB 3.24Å; S115-V157 WeakPolarHBondContact O-CB 3.45Å; S115-V157 WeakPolarHBondContact O-CG2 3.48Å; S115-V157 PolarHBondContact O-N 3.28Å; Y155-V157 HydrophobicContact CD1-CG2 3.66Å; Y155-V157 HydrophobicContact CE1-CG2 3.73Å; V157-F170 HydrophobicContact CG2-CE1 4.22Å; V157-F170 HydrophobicContact CG2-CZ 4.49Å
158	N	71.4	Confident	75.8	Confident	118 Å²	118	78.2 Å²	78.2	63%	0.631	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	154.3	171.3	-64.3	-22.3	0	0	0	110.9
159	N	63.1	Low	75.3	Confident	140 Å²	140	79.3 Å²	79.3	75%	0.749	42%	0.417	S	S	*	.			trans	70.9	67.6	175.6	-58	-25.7	0	0	0	115.5	K161	N159-K161 PolarHBondContact O-N 3.28Å
160	F	59	Low	74.7	Confident	78 Å²	78	79.2 Å²	79.2	34%	0.342	41%	0.411	S	S	.	.			trans	-79.4	113.8	165.1	-166.7	-96.9	0	0	0	110.6	A162	F160-A162 HydrophobicContact CD1-CB 4.41Å; F160-A162 HydrophobicContact CE1-CB 3.56Å; F160-A162 HydrophobicContact CE2-CB 4.11Å; F160-A162 HydrophobicContact CZ-CB 3.38Å
161	K	61.4	Low	74.5	Confident	178 Å²	178	81.3 Å²	81.3	77%	0.774	42%	0.422	S	S	*	.			trans	-137.1	72.5	166.9	-73.6	-169.2	-180	-176.3	0	107.8	Y138 N159	Y138-K161 VanDerWaalsContact OH-C 3.24Å; Y138-K161 PolarHBondContact OH-N 3.39Å; Y138-K161 PolarHBondContact OH-O 2.77Å; N159-K161 PolarHBondContact O-N 3.28Å
162	A	63.1	Low	74.5	Confident	38 Å²	38	78.1 Å²	78.1	31%	0.314	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-75.6	127	169.3	0	0	0	0	0	108.7	Y138 F160	Y138-A162 HydrophobicContact CE1-CB 3.82Å; Y138-A162 PolarHBondContact OH-N 2.91Å; F160-A162 HydrophobicContact CD1-CB 4.41Å; F160-A162 HydrophobicContact CE1-CB 3.56Å; F160-A162 HydrophobicContact CE2-CB 4.11Å; F160-A162 HydrophobicContact CZ-CB 3.38Å
163	E	63.2	Low	74.3	Confident	142 Å²	142	74.5 Å²	74.5	66%	0.664	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-76.7	160.1	162.1	-62.1	179.6	176.3	0	0	109.5	G165 M166	E163-G165 PolarHBondContact O-N 3.2Å; E163-M166 HydrophobicContact CB-CE 3.74Å; E163-M166 HydrophobicContact CB-CG 4.19Å; E163-M166 HydrophobicContact CB-SD 3.86Å; E163-M166 HydrophobicContact CG-CE 3.93Å; E163-M166 HydrophobicContact CG-SD 4.24Å; E163-M166 WeakPolarHBondContact O-CB 3.44Å; E163-M166 PolarHBondContact O-N 2.89Å; E163-M166 VanDerWaalsContact OE2-CE 3.22Å; E163-M166 WeakPolarHBondContact OE2-CE 3.1Å
164	E	62.5	Low	74.3	Confident	169 Å²	169	72.1 Å²	72.1	79%	0.79	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	123	-177.1	-149.3	-171.9	150.9	0	0	111.3	K195	E164-K195 WeakPolarHBondContact OE1-CE 3.4Å; E164-K195 IonicContact OE1-NZ 2.67Å; E164-K195 PolarHBondContact OE1-NZ 3.37Å
165	G	66.7	Low	74.3	Confident	61 Å²	61	70.6 Å²	70.6	63%	0.629	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.7	-2.1	-177.4	0	0	0	0	0	115.3	E163	E163-G165 PolarHBondContact O-N 3.2Å
166	M	68.4	Low	74.4	Confident	36 Å²	36	68.6 Å²	68.6	18%	0.177	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-79.7	128.5	169.3	-66.3	-172.8	-179.9	0	0	110.8	Y138 Q141 E163	Y138-M166 HydrophobicContact CD1-CB 3.81Å; Y138-M166 HydrophobicContact CD1-SD 4.33Å; Y138-M166 HydrophobicContact CD2-SD 4.26Å; Y138-M166 HydrophobicContact CG-CB 4.17Å; Y138-M166 HydrophobicContact CG-SD 3.97Å; Q141-M166 PolarHBondContact NE2-SD 2.89Å; Q141-M166 VanDerWaalsContact NE2-SD 3.43Å; E163-M166 HydrophobicContact CB-CE 3.74Å; E163-M166 HydrophobicContact CB-CG 4.19Å; E163-M166 HydrophobicContact CB-SD 3.86Å; E163-M166 HydrophobicContact CG-CE 3.93Å; E163-M166 HydrophobicContact CG-SD 4.24Å; E163-M166 WeakPolarHBondContact O-CB 3.44Å; E163-M166 PolarHBondContact O-N 2.89Å; E163-M166 VanDerWaalsContact OE2-CE 3.22Å; E163-M166 WeakPolarHBondContact OE2-CE 3.1Å
167	E	71.9	Confident	74.5	Confident	121 Å²	121	70.3 Å²	70.3	57%	0.565	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-97.2	128.4	171	-66.2	-178.3	166	0	0	108.7	Y138 S139 V169	Y138-E167 CarbonylContact C-O 3.52Å; Y138-E167 VanDerWaalsContact CA-O 3.3Å; Y138-E167 WeakPolarHBondContact CA-O 3.31Å; S139-E167 PolarHBondContact N-O 2.89Å; S139-E167 PolarHBondContact OG-N 3.29Å; E167-V169 PolarHBondContact O-N 2.83Å
168	E	73.8	Confident	74.8	Confident	49 Å²	49	74.5 Å²	74.5	23%	0.229	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	123.7	171.6	-166.2	172.9	-151.6	0	0	108.7	S115 R136 F170	S115-E168 PolarHBondContact OG-OE2 2.85Å; S115-E168 VanDerWaalsContact OG-OE2 3.1Å; R136-E168 IonicContact CZ-OE1 3.93Å; R136-E168 VanDerWaalsContact CZ-OE1 3.3Å; R136-E168 IonicContact NE-OE1 3.73Å; R136-E168 PolarHBondContact NE-OE1 2.87Å; R136-E168 IonicContact NH2-OE1 3.19Å; R136-E168 PolarHBondContact NH2-OE1 2.8Å; E168-F170 HydrophobicContact CB-CE2 4.2Å; E168-F170 HydrophobicContact CG-CD2 4.16Å; E168-F170 HydrophobicContact CG-CE1 4.47Å; E168-F170 HydrophobicContact CG-CE2 3.43Å; E168-F170 VanDerWaalsContact CG-CE2 3.43Å; E168-F170 HydrophobicContact CG-CZ 3.63Å; E168-F170 VanDerWaalsContact OE1-CZ 3.26Å; E168-F170 WeakPolarHBondContact OE1-CZ 3.49Å; E168-F170 WeakPolarHBondContact OE2-CE2 3.26Å; E168-F170 WeakPolarHBondContact OE2-CZ 3.46Å
169	V	79.4	Confident	75.3	Confident	44 Å²	44	71.7 Å²	71.7	27%	0.267	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	133.4	-178.5	178.3	0	0	0	0	108.7	R136 G137 L143 E167 I171	R136-V169 WeakPolarHBondContact CA-O 3.23Å; G137-V169 PolarHBondContact N-O 3.31Å; G137-V169 VanDerWaalsContact N-O 3.14Å; G137-V169 PolarHBondContact O-N 2.82Å; L143-V169 HydrophobicContact CD1-CG1 4.35Å; L143-V169 HydrophobicContact CD2-CB 4.19Å; L143-V169 HydrophobicContact CD2-CG1 4.42Å; E167-V169 PolarHBondContact O-N 2.83Å; V169-I171 HydrophobicContact CG1-CG1 4.42Å
170	F	80.1	Confident	76.3	Confident	45 Å²	45	68.6 Å²	68.6	20%	0.197	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	133.9	172.3	-59.6	-90.5	0	0	0	110.9	T107 M117 F135 R136 V157 E168 L172	T107-F170 HydrophobicContact CG2-CD2 4.49Å; T107-F170 HydrophobicContact CG2-CE2 4.35Å; M117-F170 HydrophobicContact CE-CB 3.49Å; M117-F170 VanDerWaalsContact CE-CB 3.49Å; M117-F170 HydrophobicContact CE-CD1 3.25Å; M117-F170 HydrophobicContact CE-CD2 3.52Å; M117-F170 HydrophobicContact CE-CE1 3.66Å; M117-F170 HydrophobicContact CE-CE2 3.92Å; M117-F170 HydrophobicContact CE-CG 3.15Å; M117-F170 HydrophobicContact CE-CZ 3.97Å; M117-F170 HydrophobicContact SD-CD1 4.49Å; F135-F170 CarbonylContact O-C 3.59Å; F135-F170 VanDerWaalsContact O-CA 3.28Å; F135-F170 WeakPolarHBondContact O-CA 3.34Å; R136-F170 HydrophobicContact CB-CD1 4Å; R136-F170 HydrophobicContact CB-CE1 4.2Å; R136-F170 HydrophobicContact CG-CD1 3.85Å; R136-F170 HydrophobicContact CG-CE1 3.6Å; R136-F170 HydrophobicContact CG-CZ 4.4Å; V157-F170 HydrophobicContact CG2-CE1 4.22Å; V157-F170 HydrophobicContact CG2-CZ 4.49Å; E168-F170 HydrophobicContact CB-CE2 4.2Å; E168-F170 HydrophobicContact CG-CD2 4.16Å; E168-F170 HydrophobicContact CG-CE1 4.47Å; E168-F170 HydrophobicContact CG-CE2 3.43Å; E168-F170 VanDerWaalsContact CG-CE2 3.43Å; E168-F170 HydrophobicContact CG-CZ 3.63Å; E168-F170 VanDerWaalsContact OE1-CZ 3.26Å; E168-F170 WeakPolarHBondContact OE1-CZ 3.49Å; E168-F170 WeakPolarHBondContact OE2-CE2 3.26Å; E168-F170 WeakPolarHBondContact OE2-CZ 3.46Å; F170-L172 HydrophobicContact CB-CD1 3.9Å
171	I	83.3	Confident	77.3	Confident	44 Å²	44	64.9 Å²	64.9	23%	0.226	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	121.7	171.7	-52.1	171.6	0	0	0	107.1	I134 F135 L143 V169 F173	I134-I171 CarbonylContact C-O 3.6Å; I134-I171 WeakPolarHBondContact CA-O 3.21Å; F135-I171 HydrophobicContact CB-CB 4.09Å; F135-I171 HydrophobicContact CD2-CB 4.33Å; F135-I171 PolarHBondContact N-O 2.87Å; F135-I171 PolarHBondContact O-N 2.85Å; L143-I171 HydrophobicContact CD1-CD1 3.86Å; L143-I171 HydrophobicContact CD1-CG1 4.46Å; V169-I171 HydrophobicContact CG1-CG1 4.42Å; I171-F173 HydrophobicContact CG2-CD1 4.24Å; I171-F173 HydrophobicContact CG2-CE1 4.4Å
172	L	85.5	Confident	77.7	Confident	14 Å²	14	58.4 Å²	58.4	7%	0.073	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	136.9	-177.3	-60.7	94.5	0	0	0	110.6	I102 V105 M117 W119 I133 I134 F170	I102-L172 HydrophobicContact CD1-CB 3.84Å; V105-L172 HydrophobicContact CG1-CD1 4.36Å; M117-L172 HydrophobicContact CE-CD1 3.99Å; M117-L172 HydrophobicContact SD-CD1 3.53Å; M117-L172 VanDerWaalsContact SD-CD1 3.53Å; M117-L172 HydrophobicContact SD-CD2 3.35Å; M117-L172 WeakPolarHBondContact SD-CD2 3.48Å; M117-L172 HydrophobicContact SD-CG 4.03Å; W119-L172 HydrophobicContact CD2-CD2 4.18Å; W119-L172 HydrophobicContact CE3-CD2 3.78Å; W119-L172 HydrophobicContact CH2-CD2 4.37Å; W119-L172 HydrophobicContact CZ3-CD2 3.89Å; I133-L172 WeakPolarHBondContact O-CA 3.41Å; I134-L172 HydrophobicContact CD1-CD2 3.97Å; I134-L172 HydrophobicContact CG1-CD2 3.78Å; I134-L172 HydrophobicContact CG1-CG 4.13Å; I134-L172 HydrophobicContact CG2-CD2 4.44Å; I134-L172 HydrophobicContact CG2-CG 4.28Å; F170-L172 HydrophobicContact CB-CD1 3.9Å
173	F	87	Confident	77.7	Confident	18 Å²	18	59.5 Å²	59.5	8%	0.079	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	152.1	169.7	51	-90.7	0	0	0	111.1	T132 I133 F135 I171 I175 F180 S181	T132-F173 WeakPolarHBondContact CA-O 3.4Å; I133-F173 HydrophobicContact CB-CD2 4.15Å; I133-F173 HydrophobicContact CB-CE1 4.41Å; I133-F173 HydrophobicContact CB-CE2 3.73Å; I133-F173 HydrophobicContact CB-CZ 3.87Å; I133-F173 HydrophobicContact CD1-CE2 3.8Å; I133-F173 HydrophobicContact CD1-CZ 4.19Å; I133-F173 HydrophobicContact CG1-CE2 4.08Å; I133-F173 HydrophobicContact CG2-CE1 4.29Å; I133-F173 HydrophobicContact CG2-CE2 4.22Å; I133-F173 HydrophobicContact CG2-CZ 3.84Å; I133-F173 PolarHBondContact N-O 3.36Å; I133-F173 PolarHBondContact O-N 2.89Å; I133-F173 VanDerWaalsContact O-N 3.11Å; F135-F173 AromaticContact CD2-CE1 3.94Å; F135-F173 HydrophobicContact CD2-CE1 3.94Å; F135-F173 HydrophobicContact CD2-CZ 4.46Å; F135-F173 AromaticContact CE2-CE1 3.6Å; F135-F173 HydrophobicContact CE2-CE1 3.6Å; F135-F173 AromaticContact CE2-CZ 3.7Å; F135-F173 HydrophobicContact CE2-CZ 3.7Å; I171-F173 HydrophobicContact CG2-CD1 4.24Å; I171-F173 HydrophobicContact CG2-CE1 4.4Å; F173-I175 HydrophobicContact CD2-CG2 3.85Å; F173-I175 HydrophobicContact CE2-CG2 3.79Å; F173-F180 HydrophobicContact CD2-CB 3.76Å; F173-F180 HydrophobicContact CD2-CD2 4.4Å; F173-F180 HydrophobicContact CD2-CG 4.43Å; F173-F180 HydrophobicContact CE2-CB 4.09Å; F173-S181 WeakPolarHBondContact CB-O 3.42Å
174	N	89.5	Confident	77.2	Confident	2 Å²	2	55 Å²	55	1%	0.011	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	146.4	170.8	-64.4	-39.8	0	0	0	109.7	V99 P100 I102 S131 T132 F180 S181	V99-N174 HydrophobicContact CG1-CB 3.64Å; P100-N174 PolarHBondContact O-ND2 3.21Å; I102-N174 WeakPolarHBondContact CG1-ND2 3.49Å; S131-N174 CarbonylContact O-C 3.54Å; S131-N174 WeakPolarHBondContact O-CA 3.41Å; T132-N174 PolarHBondContact OG1-OD1 3.23Å; N174-F180 CarbonylContact O-C 3.55Å; N174-F180 WeakPolarHBondContact O-CA 3.45Å; N174-S181 PolarHBondContact N-OG 2.96Å; N174-S181 PolarHBondContact O-N 3.47Å
175	I	89.3	Confident	76.5	Confident	44 Å²	44	52 Å²	52	23%	0.226	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	143.3	168.9	65.7	170.6	0	0	0	109.4	D130 S131 I133 F173 R179 F180	D130-I175 WeakPolarHBondContact CB-O 3.46Å; S131-I175 PolarHBondContact N-O 3.24Å; S131-I175 WeakPolarHBondContact O-CG1 3.45Å; S131-I175 PolarHBondContact O-N 3.25Å; I133-I175 HydrophobicContact CD1-CD1 4.05Å; I133-I175 HydrophobicContact CD1-CG2 3.65Å; I133-I175 HydrophobicContact CG1-CD1 4.14Å; I133-I175 HydrophobicContact CG1-CG1 4.44Å; I133-I175 HydrophobicContact CG1-CG2 3.82Å; F173-I175 HydrophobicContact CD2-CG2 3.85Å; F173-I175 HydrophobicContact CE2-CG2 3.79Å; I175-R179 CarbonylContact C-O 3.57Å; I175-R179 VanDerWaalsContact CA-O 3.29Å; I175-R179 WeakPolarHBondContact CA-O 3.1Å; I175-F180 HydrophobicContact CG2-CB 4.07Å
176	H	88.1	Confident	75.3	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	114.8	172.2	171.7	62.3	0	0	0	106.4	K97 V99 E127 D130 N178 R179	K97-H176 PolarHBondContact NZ-NE2 2.72Å; V99-H176 HydrophobicContact CG1-CB 4.14Å; V99-H176 HydrophobicContact CG2-CB 3.89Å; E127-H176 IonicContact OE1-CE1 3.36Å; D130-H176 IonicContact OD1-CE1 3.79Å; D130-H176 IonicContact OD1-CG 2.85Å; D130-H176 IonicContact OD1-ND1 3.26Å; D130-H176 PolarHBondContact OD1-ND1 3.46Å; D130-H176 IonicContact OD2-ND1 3.42Å; H176-N178 PolarHBondContact O-N 2.83Å; H176-R179 PolarHBondContact N-O 2.64Å; H176-R179 WeakPolarHBondContact O-CA 3.45Å; H176-R179 WeakPolarHBondContact O-CB 3.44Å; H176-R179 PolarHBondContact O-N 3.26Å
177	E	85.5	Confident	73.8	Confident	132 Å²	132	58.6 Å²	58.6	62%	0.617	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	-120.3	-174.8	-56	168.8	171.8	0	0	111.4	R179	E177-R179 VanDerWaalsContact C-N 3.35Å
178	N	79.8	Confident	72	Confident	91 Å²	91	59.7 Å²	59.7	49%	0.487	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	10.9	177.5	66.1	-3.6	0	0	0	113.9	H176	H176-N178 PolarHBondContact O-N 2.83Å
179	R	81.9	Confident	69.9	Low	58 Å²	58	63 Å²	63	22%	0.219	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	152.3	-174.5	-47.8	-178.1	-175	-124.6	-8.3	110.4	K97 V99 I175 H176 E177	K97-R179 WeakPolarHBondContact O-CD 3.36Å; K97-R179 PolarHBondContact O-NH1 2.7Å; V99-R179 HydrophobicContact CG2-CB 3.54Å; I175-R179 CarbonylContact C-O 3.57Å; I175-R179 VanDerWaalsContact CA-O 3.29Å; I175-R179 WeakPolarHBondContact CA-O 3.1Å; H176-R179 PolarHBondContact N-O 2.64Å; H176-R179 WeakPolarHBondContact O-CA 3.45Å; H176-R179 WeakPolarHBondContact O-CB 3.44Å; H176-R179 PolarHBondContact O-N 3.26Å; E177-R179 VanDerWaalsContact C-N 3.35Å
180	F	83.4	Confident	67.7	Low	75 Å²	75	66.8 Å²	66.8	33%	0.329	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	147.7	172.2	62.8	-82.2	0	0	0	110.4	M1 F173 N174 I175 L182	M1-F180 HydrophobicContact CE-CE1 3.85Å; M1-F180 HydrophobicContact CE-CZ 4.32Å; M1-F180 HydrophobicContact SD-CE1 4.38Å; F173-F180 HydrophobicContact CD2-CB 3.76Å; F173-F180 HydrophobicContact CD2-CD2 4.4Å; F173-F180 HydrophobicContact CD2-CG 4.43Å; F173-F180 HydrophobicContact CE2-CB 4.09Å; N174-F180 CarbonylContact O-C 3.55Å; N174-F180 WeakPolarHBondContact O-CA 3.45Å; I175-F180 HydrophobicContact CG2-CB 4.07Å; F180-L182 HydrophobicContact CD2-CD2 4.31Å; F180-L182 HydrophobicContact CE2-CD2 3.57Å; F180-L182 HydrophobicContact CE2-CG 4.15Å; F180-L182 HydrophobicContact CZ-CD2 4.44Å
181	S	79.3	Confident	65.3	Low	1 Å²	1	71 Å²	71	1%	0.007	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-73.9	136.5	171.7	66.8	0	0	0	0	109	P100 F173 N174	P100-S181 WeakPolarHBondContact O-CB 3.37Å; F173-S181 WeakPolarHBondContact CB-O 3.42Å; N174-S181 PolarHBondContact N-OG 2.96Å; N174-S181 PolarHBondContact O-N 3.47Å
182	L	69.5	Low	62.6	Low	42 Å²	42	75.6 Å²	75.6	22%	0.22	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-75.1	142.2	166.4	-75	168.7	0	0	0	110.4	Q18 E19 F180 T184	Q18-L182 HydrophobicContact CG-CD1 4.32Å; E19-L182 HydrophobicContact CB-CD1 3.72Å; E19-L182 HydrophobicContact CG-CD1 4.15Å; E19-L182 WeakPolarHBondContact O-CD1 3.5Å; F180-L182 HydrophobicContact CD2-CD2 4.31Å; F180-L182 HydrophobicContact CE2-CD2 3.57Å; F180-L182 HydrophobicContact CE2-CG 4.15Å; F180-L182 HydrophobicContact CZ-CD2 4.44Å; L182-T184 PolarHBondContact O-N 2.84Å
183	P	63.2	Low	59.8	Low	60 Å²	60	81.5 Å²	81.5	39%	0.39	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-60.3	136.6	177.5	25	-32.5	0	0	0	109.2	M185	P183-M185 PolarHBondContact O-N 2.85Å
184	T	53.8	Low	56.9	Low	48 Å²	48	87.9 Å²	87.9	29%	0.294	46%	0.462	S	S	.	.			trans	-72.4	113.7	170.3	-47.9	0	0	0	0	107.1	T21 I102 L182 D186	T21-T184 HydrophobicContact CG2-CG2 4.24Å; I102-T184 WeakPolarHBondContact O-CB 3.39Å; I102-T184 PolarHBondContact O-OG1 2.96Å; L182-T184 PolarHBondContact O-N 2.84Å; T184-D186 VanDerWaalsContact C-N 3.35Å; T184-D186 PolarHBondContact O-N 2.83Å
185	M	46.8	Very low	54	Low	105 Å²	105	94.4 Å²	94.4	52%	0.517	49%	0.49	S	S	.	.			trans	-69	98.4	167.2	-66.4	-148.6	-57.6	0	0	107.9	P183 Y212	P183-M185 PolarHBondContact O-N 2.85Å; M185-Y212 HydrophobicContact CE-CD2 3.53Å; M185-Y212 HydrophobicContact CE-CE2 4.08Å; M185-Y212 HydrophobicContact SD-CD2 3.68Å; M185-Y212 HydrophobicContact SD-CE2 3.56Å; M185-Y212 VanDerWaalsContact SD-CE2 3.56Å
186	D	41.9	Very low	51.1	Low	90 Å²	90	101.7 Å²	101.7	48%	0.481	52%	0.523	S	S	.	.			trans	-76.8	133	163.8	-160	-1.1	0	0	0	107.3	T184 K188	T184-D186 VanDerWaalsContact C-N 3.35Å; T184-D186 PolarHBondContact O-N 2.83Å; D186-K188 PolarHBondContact O-N 2.85Å; D186-K188 WeakPolarHBondContact OD2-CD 3.37Å; D186-K188 WeakPolarHBondContact OD2-CE 3.2Å; D186-K188 IonicContact OD2-NZ 3.76Å
187	N	37.8	Very low	48	Very low	147 Å²	147	111 Å²	111	79%	0.786	57%	0.566	S	S	*	*			trans	-72	13.4	-179.6	-85.5	-8.6	0	0	0	112.8
188	K	32.8	Very low	45.2	Very low	143 Å²	143	110.3 Å²	110.3	62%	0.622	58%	0.576	S	S	*	*	S	Bend	trans	-79.1	132.7	-179	-68.2	-176.2	-169.8	171.3	0	109.8	D186 V190	D186-K188 PolarHBondContact O-N 2.85Å; D186-K188 WeakPolarHBondContact OD2-CD 3.37Å; D186-K188 WeakPolarHBondContact OD2-CE 3.2Å; D186-K188 IonicContact OD2-NZ 3.76Å; K188-V190 PolarHBondContact O-N 2.88Å
189	P	29.7	Very low	42.6	Very low	119 Å²	119	111.9 Å²	111.9	77%	0.773	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-60.5	127.5	-177.4	23	-31.6	0	0	0	110.4	L191	P189-L191 PolarHBondContact O-N 3.29Å
190	V	34.4	Very low	40.1	Very low	123 Å²	123	116.8 Å²	116.8	75%	0.745	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-46.5	132	161.7	178.6	0	0	0	0	107.9	K188 K192	K188-V190 PolarHBondContact O-N 2.88Å; V190-K192 VanDerWaalsContact C-N 3.34Å; V190-K192 PolarHBondContact O-N 3.11Å
191	L	29	Very low	37.4	Very low	133 Å²	133	122.6 Å²	122.6	70%	0.696	65%	0.648	S	S	*	*			trans	-51.4	97.5	173.1	-88.1	155.1	0	0	0	109	P189 V193	P189-L191 PolarHBondContact O-N 3.29Å; L191-V193 PolarHBondContact O-N 3Å
192	K	26.6	Very low	34.8	Very low	141 Å²	141	128 Å²	128	61%	0.613	68%	0.681	S	S	*	*			trans	-72	112.4	165.7	-77.2	-176.6	176.9	176.6	0	106.6	V190 N194	V190-K192 VanDerWaalsContact C-N 3.34Å; V190-K192 PolarHBondContact O-N 3.11Å; K192-N194 PolarHBondContact O-N 3.11Å; K192-N194 VanDerWaalsContact O-N 3.16Å
193	V	27.6	Very low	32.8	Very low	139 Å²	139	134.3 Å²	134.3	84%	0.842	72%	0.715	S	S	*	*			trans	-62.6	116.1	159.8	-179.1	0	0	0	0	105.9	L191 K195	L191-V193 PolarHBondContact O-N 3Å; V193-K195 PolarHBondContact O-N 3.06Å
194	N	24.5	Very low	31.1	Very low	152 Å²	152	139.1 Å²	139.1	81%	0.813	73%	0.732	S	S	*	*			trans	-58.7	128.3	-175.5	-68.5	-40.3	0	0	0	110.7	K192	K192-N194 PolarHBondContact O-N 3.11Å; K192-N194 VanDerWaalsContact O-N 3.16Å
195	K	30.4	Very low	29.7	Very low	139 Å²	139	141.6 Å²	141.6	60%	0.604	75%	0.75	S	S	*	*			trans	-128.3	137	157.4	-89.2	-167.5	170.7	-166.9	0	110.5	E164 V193	E164-K195 WeakPolarHBondContact OE1-CE 3.4Å; E164-K195 IonicContact OE1-NZ 2.67Å; E164-K195 PolarHBondContact OE1-NZ 3.37Å; V193-K195 PolarHBondContact O-N 3.06Å
196	E	26.7	Very low	28.7	Very low	197 Å²	197	145 Å²	145	92%	0.921	77%	0.765	S	S	*	*			trans	-61.4	158.5	169.6	-76.7	177.2	150.3	0	0	112
197	Q	24.3	Very low	28	Very low	196 Å²	196	148.3 Å²	148.3	92%	0.916	78%	0.775	S	S	*	*			trans	-51.9	137.6	-165.9	-68.7	162.5	-23.3	0	0	115.3
198	S	26.9	Very low	27.5	Very low	117 Å²	117	150.5 Å²	150.5	82%	0.818	78%	0.778	S	S	*	*			trans	-146.4	121.9	142	-178.6	0	0	0	0	110
199	T	24.5	Very low	27.2	Very low	125 Å²	125	154 Å²	154	77%	0.767	79%	0.787	S	S	*	*			trans	-75	123.4	173.9	40.9	0	0	0	0	110.3
200	N	29.4	Very low	27	Very low	160 Å²	160	155.6 Å²	155.6	86%	0.856	79%	0.789	S	S	*	*			trans	-159	128.2	144.2	-97.9	-28.7	0	0	0	110.3	T202	N200-T202 PolarHBondContact O-N 3.23Å
201	Q	26	Very low	26.7	Very low	197 Å²	197	152.4 Å²	152.4	92%	0.921	77%	0.767	S	S	*	*			trans	-64.6	120.8	174.5	-74.6	169.6	-29	0	0	110.1
202	T	24.9	Very low	26.8	Very low	114 Å²	114	151.6 Å²	151.6	70%	0.699	76%	0.756	S	S	*	*			trans	-142.6	123.4	151.9	-40.7	0	0	0	0	107.9	N200 H204	N200-T202 PolarHBondContact O-N 3.23Å; T202-H204 VanDerWaalsContact C-N 3.3Å; T202-H204 PolarHBondContact O-N 3.07Å
203	N	28.1	Very low	26.8	Very low	175 Å²	175	154.2 Å²	154.2	94%	0.936	77%	0.77	S	S	*	*			trans	-58.6	92.1	169.8	-75.2	-27.8	0	0	0	109.3
204	H	26.7	Very low	26.6	Very low	161 Å²	161	159 Å²	159	75%	0.745	77%	0.773	S	S	*	*	S	Bend	trans	-152.2	109.6	174.9	-157	66	0	0	0	106.9	T202 E206	T202-H204 VanDerWaalsContact C-N 3.3Å; T202-H204 PolarHBondContact O-N 3.07Å; H204-E206 PolarHBondContact O-N 3.3Å
205	C	25.6	Very low	26.6	Very low	100 Å²	100	155 Å²	155	68%	0.676	76%	0.756	S	S	*	*			trans	6.1	80	178	-82.4	0	0	0	0	113.3	K207	C205-K207 PolarHBondContact O-N 2.99Å
206	E	25.8	Very low	26.4	Very low	177 Å²	177	154.8 Å²	154.8	83%	0.827	76%	0.762	S	S	*	*			trans	-61.9	108	-175.3	-88.2	-170.2	147.1	0	0	109.4	H204	H204-E206 PolarHBondContact O-N 3.3Å
207	K	25.5	Very low	26.6	Very low	159 Å²	159	150.2 Å²	150.2	69%	0.691	76%	0.758	S	S	*	*			trans	48.5	94.1	149.1	-86.6	167.5	169.2	162.1	0	115	C205 R209	C205-K207 PolarHBondContact O-N 2.99Å; K207-R209 WeakPolarHBondContact O-CB 3.44Å; K207-R209 PolarHBondContact O-N 3.46Å
208	F	27.8	Very low	26.5	Very low	194 Å²	194	150.9 Å²	150.9	85%	0.851	75%	0.752	S	S	*	*	S	Bend	trans	10.2	47.9	141	-72.1	-81.8	0	0	0	118.6	I211	F208-I211 HydrophobicContact CD1-CD1 4.05Å; F208-I211 HydrophobicContact CE1-CD1 4.26Å; F208-I211 HydrophobicContact CG-CD1 4.28Å
209	R	27.4	Very low	26.5	Very low	215 Å²	215	153.9 Å²	153.9	81%	0.811	75%	0.753	S	S	*	*	S	Bend	trans	-119.9	-16	176.4	-153.4	175	175	163.4	0.7	112.4	K207	K207-R209 WeakPolarHBondContact O-CB 3.44Å; K207-R209 PolarHBondContact O-N 3.46Å
210	N	25.4	Very low	26.8	Very low	154 Å²	154	152.9 Å²	152.9	82%	0.824	74%	0.742	S	S	*	*	S	Bend	trans	-166.7	67.4	169.9	-80.6	-41.6	0	0	0	108.5
211	I	28.1	Very low	26.5	Very low	56 Å²	56	150.2 Å²	150.2	29%	0.287	73%	0.727	S	S	.	*			trans	-98.2	104.5	168.3	-59.9	174.6	0	0	0	105.2	F208 C215	F208-I211 HydrophobicContact CD1-CD1 4.05Å; F208-I211 HydrophobicContact CE1-CD1 4.26Å; F208-I211 HydrophobicContact CG-CD1 4.28Å; I211-C215 HydrophobicContact CG2-CB 4.26Å
212	Y	30.6	Very low	26.6	Very low	115 Å²	115	144.5 Å²	144.5	45%	0.451	70%	0.702	S	S	.	*	S	Bend	trans	-168.3	-5.3	138.5	-86.3	-57.4	0	0	0	112.7	M185 L220	M185-Y212 HydrophobicContact CE-CD2 3.53Å; M185-Y212 HydrophobicContact CE-CE2 4.08Å; M185-Y212 HydrophobicContact SD-CD2 3.68Å; M185-Y212 HydrophobicContact SD-CE2 3.56Å; M185-Y212 VanDerWaalsContact SD-CE2 3.56Å; Y212-L220 HydrophobicContact CE1-CB 4.31Å; Y212-L220 HydrophobicContact CE1-CD1 3.93Å; Y212-L220 HydrophobicContact CE1-CD2 4Å; Y212-L220 HydrophobicContact CE1-CG 4.28Å; Y212-L220 WeakPolarHBondContact OH-CD1 3.44Å; Y212-L220 WeakPolarHBondContact OH-CD2 3.14Å
213	E	27.1	Very low	26.5	Very low	196 Å²	196	144.6 Å²	144.6	92%	0.916	70%	0.698	S	S	*	*	S	Bend	trans	-85.5	-1.8	-179.6	-84.6	-165.6	164.5	0	0	116.6
214	R	23	Very low	26.4	Very low	241 Å²	241	138 Å²	138	91%	0.909	66%	0.664	S	S	*	*	S	Bend	trans	-163.7	13.6	170.3	-119.6	168.7	-169.4	-166.5	3.1	118.7	D216	R214-D216 PolarHBondContact O-N 3.14Å; R214-D216 VanDerWaalsContact O-N 3.09Å
215	C	25.5	Very low	26.2	Very low	68 Å²	68	138 Å²	138	46%	0.459	67%	0.669	S	S	.	*	S	Bend	trans	-70.6	110	157.2	-72.1	0	0	0	0	105.3	I211 A217	I211-C215 HydrophobicContact CG2-CB 4.26Å; C215-A217 PolarHBondContact O-N 3.44Å; C215-A217 VanDerWaalsContact O-N 3.16Å
216	D	24.7	Very low	26.1	Very low	133 Å²	133	139.6 Å²	139.6	71%	0.711	67%	0.669	S	S	*	*			trans	-29.3	119.6	178.4	-147.1	-17.1	0	0	0	109.7	R214 R218	R214-D216 PolarHBondContact O-N 3.14Å; R214-D216 VanDerWaalsContact O-N 3.09Å; D216-R218 PolarHBondContact O-N 3.26Å
217	A	30.5	Very low	25.9	Very low	102 Å²	102	134 Å²	134	84%	0.843	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	20.3	-168.7	0	0	0	0	0	113.9	C215	C215-A217 PolarHBondContact O-N 3.44Å; C215-A217 VanDerWaalsContact O-N 3.16Å
218	R	23.7	Very low	25.9	Very low	210 Å²	210	135.8 Å²	135.8	79%	0.792	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	-11.7	179.6	-72.8	-174.9	167.1	-169	-3.1	114.4	D216	D216-R218 PolarHBondContact O-N 3.26Å
219	E	27.1	Very low	25.9	Very low	180 Å²	180	138.2 Å²	138.2	84%	0.841	69%	0.69	S	S	*	*	S	Bend	trans	-137	56.6	-176.8	-71.9	-170.2	156.4	0	0	114.4
220	L	29.5	Very low	25.9	Very low	104 Å²	104	134.4 Å²	134.4	55%	0.545	68%	0.684	S	S	.	*			trans	-127.6	50.3	147.7	-147.4	103.3	0	0	0	111.2	Y212 I222	Y212-L220 HydrophobicContact CE1-CB 4.31Å; Y212-L220 HydrophobicContact CE1-CD1 3.93Å; Y212-L220 HydrophobicContact CE1-CD2 4Å; Y212-L220 HydrophobicContact CE1-CG 4.28Å; Y212-L220 WeakPolarHBondContact OH-CD1 3.44Å; Y212-L220 WeakPolarHBondContact OH-CD2 3.14Å; L220-I222 HydrophobicContact CD2-CG1 4.39Å; L220-I222 PolarHBondContact O-N 2.82Å
221	I	24.2	Very low	25.9	Very low	104 Å²	104	133.3 Å²	133.3	53%	0.533	68%	0.677	S	S	.	*			trans	-72.4	104.3	152.2	-54.6	175.4	0	0	0	104.4	N223	I221-N223 HydrophobicContact CG2-CB 4.5Å; I221-N223 WeakPolarHBondContact CG2-OD1 3.21Å; I221-N223 PolarHBondContact O-N 3.05Å
222	I	28.5	Very low	25.8	Very low	76 Å²	76	137.6 Å²	137.6	39%	0.39	70%	0.698	S	S	.	*			trans	-63.4	92.2	158.3	-57	178.9	0	0	0	104.2	L220 V224	L220-I222 HydrophobicContact CD2-CG1 4.39Å; L220-I222 PolarHBondContact O-N 2.82Å; I222-V224 HydrophobicContact CG2-CG2 3.65Å; I222-V224 PolarHBondContact O-N 2.97Å
223	N	22.4	Very low	25.5	Very low	116 Å²	116	138.9 Å²	138.9	62%	0.62	71%	0.713	S	S	*	*			trans	-69.9	77.2	172.4	-84.2	-43.1	0	0	0	107.1	I221 L225	I221-N223 HydrophobicContact CG2-CB 4.5Å; I221-N223 WeakPolarHBondContact CG2-OD1 3.21Å; I221-N223 PolarHBondContact O-N 3.05Å; N223-L225 VanDerWaalsContact C-N 3.31Å; N223-L225 PolarHBondContact O-N 2.71Å; N223-L225 VanDerWaalsContact O-N 3.08Å
224	V	26	Very low	25.4	Very low	36 Å²	36	135.4 Å²	135.4	22%	0.218	70%	0.7	C	S	.	*			trans	-70.4	98.2	158.3	179.6	0	0	0	0	105.9	F135 M145 I222 I226	F135-V224 HydrophobicContact CE1-CG1 4.1Å; F135-V224 HydrophobicContact CE1-CG2 4.2Å; F135-V224 HydrophobicContact CE2-CG1 4.42Å; F135-V224 HydrophobicContact CE2-CG2 3.59Å; F135-V224 HydrophobicContact CZ-CB 3.98Å; F135-V224 HydrophobicContact CZ-CG1 3.44Å; F135-V224 VanDerWaalsContact CZ-CG1 3.44Å; F135-V224 HydrophobicContact CZ-CG2 3.29Å; M145-V224 HydrophobicContact CE-CG1 3.35Å; I222-V224 HydrophobicContact CG2-CG2 3.65Å; I222-V224 PolarHBondContact O-N 2.97Å; V224-I226 VanDerWaalsContact C-N 3.3Å; V224-I226 HydrophobicContact CG1-CG1 3.84Å; V224-I226 PolarHBondContact O-N 3.21Å
225	L	20.9	Very low	25.5	Very low	162 Å²	162	128.3 Å²	128.3	85%	0.848	69%	0.686	S	S	*	*			trans	-65.2	96.9	159	-94.1	147	0	0	0	106.8	N223 G227	N223-L225 VanDerWaalsContact C-N 3.31Å; N223-L225 PolarHBondContact O-N 2.71Å; N223-L225 VanDerWaalsContact O-N 3.08Å; L225-G227 VanDerWaalsContact C-N 3.35Å; L225-G227 PolarHBondContact O-N 2.89Å; L225-G227 VanDerWaalsContact O-N 3.12Å
226	I	24.1	Very low	25.5	Very low	134 Å²	134	132.6 Å²	132.6	69%	0.687	70%	0.703	S	S	*	*			trans	-72.2	99.5	162.4	-55.3	177.1	0	0	0	104.8	V224 Q228	V224-I226 VanDerWaalsContact C-N 3.3Å; V224-I226 HydrophobicContact CG1-CG1 3.84Å; V224-I226 PolarHBondContact O-N 3.21Å; I226-Q228 PolarHBondContact O-N 3Å
227	G	22.3	Very low	25.6	Very low	59 Å²	59	132.6 Å²	132.6	61%	0.608	70%	0.702	S	S	*	*			trans	-56.5	133.2	164.6	0	0	0	0	0	108.3	L225 L229	L225-G227 VanDerWaalsContact C-N 3.35Å; L225-G227 PolarHBondContact O-N 2.89Å; L225-G227 VanDerWaalsContact O-N 3.12Å; G227-L229 PolarHBondContact O-N 3.2Å
228	Q	25.3	Very low	25.2	Very low	196 Å²	196	135.2 Å²	135.2	92%	0.916	69%	0.69	S	S	*	*			trans	-53.3	130.5	178.6	-66.8	-175.6	-48.5	0	0	110	I226	I226-Q228 PolarHBondContact O-N 3Å
229	L	28.2	Very low	25.3	Very low	245 Å²	245	128.4 Å²	128.4	100%	1.283	68%	0.681	S	S	*	*			trans	-66	0	155.3	-82.8	166.4	0	0	0	109.4	G227	G227-L229 PolarHBondContact O-N 3.2Å

Retrieved 229 of 229 residues in 68.7 ms (Link to these results)

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