A0A5K4F7U9_SCHMA Loading...

Apple domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F7U9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 118 aa.

						>A0A5K4F7U9_SCHMA|A0A5K4F7U9
MHCNYSQWISISGRPIQSFLQNYWLETVNAKSDCFILCQYNPRCNLYSHKAVEPELCNLYSGLIENTTININSTDHYVTGGRVCCCKLKSLFFITVIIFERKFFEYQYIGPVSYGLYD
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.5	Very low	75.1	Confident	212 Å²	212	88.7 Å²	88.7	100%	1.044	45%	0.447	S	S	*	.				0	127.1	0	-81.7	179.1	166.3	0	0	108.1	C3	M1-C3 PolarHBondContact O-N 2.98Å
2	H	54.8	Low	76.1	Confident	187 Å²	187	88.3 Å²	88.3	87%	0.866	46%	0.459	S	S	*	.			trans	-77.6	116	177.2	-74	-54.9	0	0	0	110.3
3	C	63.6	Low	77	Confident	42 Å²	42	81.8 Å²	81.8	28%	0.284	43%	0.426	S	S	.	.			trans	-97.2	95.5	176.6	-167.5	0	0	0	0	107.9	M1 Y5 C84	M1-C3 PolarHBondContact O-N 2.98Å; C3-Y5 VanDerWaalsContact C-N 3.26Å; C3-Y5 PolarHBondContact O-N 3.02Å; C3-Y5 PolarHBondContact SG-O 3.22Å; C3-C84 HydrophobicContact CB-CB 4.23Å; C3-C84 WeakPolarHBondContact CB-SG 3.46Å; C3-C84 WeakPolarHBondContact SG-CA 3.13Å; C3-C84 WeakPolarHBondContact SG-CB 3.43Å; C3-C84 CovalentContact SG-SG 2.03Å; C3-C84 PolarHBondContact SG-SG 2.86Å
4	N	67.7	Low	77.9	Confident	153 Å²	153	81.8 Å²	81.8	82%	0.818	42%	0.418	S	S	*	.	S	Bend	trans	-71	-25.6	-177.8	-72.9	-5.5	0	0	0	112.6
5	Y	75	Confident	78.7	Confident	128 Å²	128	76.7 Å²	76.7	50%	0.502	39%	0.392	S	S	.	.	S	Bend	trans	-140	119.2	178	-166.6	-115.1	0	0	0	109.2	C3 C85	C3-Y5 VanDerWaalsContact C-N 3.26Å; C3-Y5 PolarHBondContact O-N 3.02Å; C3-Y5 PolarHBondContact SG-O 3.22Å; Y5-C85 HydrophobicContact CD1-CB 3.48Å; Y5-C85 VanDerWaalsContact CD1-CB 3.48Å; Y5-C85 WeakPolarHBondContact CD1-SG 3.33Å; Y5-C85 HydrophobicContact CE1-CB 4.22Å; Y5-C85 VanDerWaalsContact CE1-SG 3.51Å; Y5-C85 HydrophobicContact CG-CB 4.39Å; Y5-C85 PolarHBondContact O-N 3.15Å
6	S	81.2	Confident	79.4	Confident	41 Å²	41	75.4 Å²	75.4	29%	0.287	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	141.8	176.1	66	0	0	0	0	110	V83	S6-V83 CarbonylContact C-O 3.58Å; S6-V83 WeakPolarHBondContact CA-O 3.37Å
7	Q	84.5	Confident	80	Confident	52 Å²	52	77.8 Å²	77.8	24%	0.243	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	151.3	173.4	63.9	-177.5	50.8	0	0	109.9	I9 R82 V83 C85 L88	Q7-I9 HydrophobicContact CG-CG2 4.26Å; Q7-R82 CarbonylContact O-C 3.54Å; Q7-R82 WeakPolarHBondContact O-CA 3.31Å; Q7-V83 HydrophobicContact CG-CG2 3.39Å; Q7-V83 PolarHBondContact N-O 3.49Å; Q7-V83 WeakPolarHBondContact O-CG2 3.45Å; Q7-V83 PolarHBondContact O-N 2.88Å; Q7-C85 PolarHBondContact OE1-SG 2.86Å; Q7-L88 VanDerWaalsContact CD-CD1 3.41Å; Q7-L88 HydrophobicContact CG-CD1 3.98Å; Q7-L88 VanDerWaalsContact NE2-CD1 3.26Å
8	W	87.8	Confident	80.5	Confident	31 Å²	31	76.8 Å²	76.8	12%	0.117	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	137.2	170.2	-73	97.5	0	0	0	109.9	F35 Y47 G81 R82	W8-F35 HydrophobicContact CB-CE2 4.16Å; W8-F35 HydrophobicContact CD2-CD2 4.32Å; W8-F35 AromaticContact CD2-CE2 3.63Å; W8-F35 HydrophobicContact CD2-CE2 3.63Å; W8-F35 AromaticContact CE2-CE2 3.96Å; W8-F35 HydrophobicContact CE3-CD2 4.18Å; W8-F35 AromaticContact CE3-CE2 3.95Å; W8-F35 HydrophobicContact CE3-CE2 3.95Å; W8-F35 AromaticContact CG-CE2 3.71Å; W8-F35 HydrophobicContact CG-CE2 3.71Å; W8-F35 HydrophobicContact CG-CZ 4.42Å; W8-Y47 HydrophobicContact CE3-CE1 4.36Å; W8-Y47 HydrophobicContact CZ3-CD1 4.12Å; W8-Y47 HydrophobicContact CZ3-CE1 4.09Å; W8-G81 WeakPolarHBondContact CA-O 3.4Å; W8-G81 VanDerWaalsContact CE3-C 3.41Å; W8-R82 HydrophobicContact CD2-CG 3.71Å; W8-R82 VanDerWaalsContact CE2-CG 3.48Å; W8-R82 HydrophobicContact CE3-CG 4.05Å; W8-R82 HydrophobicContact CG-CG 4.32Å; W8-R82 HydrophobicContact CH2-CG 3.95Å; W8-R82 HydrophobicContact CZ2-CG 3.63Å; W8-R82 HydrophobicContact CZ3-CG 4.16Å
9	I	88.5	Confident	80.9	Confident	38 Å²	38	73.4 Å²	73.4	20%	0.195	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	160.5	170.6	63.8	171.2	0	0	0	109.4	Q7 I11 I64 G80 G81 V83	Q7-I9 HydrophobicContact CG-CG2 4.26Å; I9-I11 HydrophobicContact CD1-CD1 3.49Å; I9-I11 VanDerWaalsContact CD1-CD1 3.49Å; I9-I11 HydrophobicContact CD1-CG1 4.09Å; I9-I11 HydrophobicContact CG1-CD1 4.38Å; I9-I64 HydrophobicContact CD1-CD1 4.17Å; I9-I64 HydrophobicContact CD1-CG2 4.37Å; I9-I64 HydrophobicContact CG1-CD1 3.77Å; I9-G80 CarbonylContact O-C 3.59Å; I9-G80 WeakPolarHBondContact O-CA 3.2Å; I9-G81 PolarHBondContact N-O 3.3Å; I9-G81 PolarHBondContact O-N 3.4Å; I9-V83 HydrophobicContact CD1-CB 4.31Å; I9-V83 HydrophobicContact CD1-CG1 3.34Å; I9-V83 HydrophobicContact CD1-CG2 3.97Å; I9-V83 HydrophobicContact CG1-CG1 3.84Å; I9-V83 HydrophobicContact CG1-CG2 4.1Å; I9-V83 HydrophobicContact CG2-CG2 3.81Å
10	S	89.1	Confident	81.2	Confident	48 Å²	48	70.9 Å²	70.9	34%	0.336	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	131.9	171.4	-169	0	0	0	0	109.2	V78	S10-V78 WeakPolarHBondContact OG-CG1 3.26Å
11	I	86.8	Confident	81.5	Confident	44 Å²	44	74.2 Å²	74.2	23%	0.226	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	138.9	-175.8	-57.8	169.2	0	0	0	109.1	I9 G13 I69 I71 T79	I9-I11 HydrophobicContact CD1-CD1 3.49Å; I9-I11 VanDerWaalsContact CD1-CD1 3.49Å; I9-I11 HydrophobicContact CD1-CG1 4.09Å; I9-I11 HydrophobicContact CG1-CD1 4.38Å; I11-G13 PolarHBondContact O-N 2.95Å; I11-I69 HydrophobicContact CB-CD1 4.36Å; I11-I69 HydrophobicContact CD1-CD1 4.24Å; I11-I71 HydrophobicContact CG2-CG2 4.12Å; I11-T79 PolarHBondContact N-O 2.69Å; I11-T79 PolarHBondContact O-N 3.37Å
12	S	86.9	Confident	83.7	Confident	84 Å²	84	69.8 Å²	69.8	59%	0.587	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.1	127.2	169.8	-50.6	0	0	0	0	111.2
13	G	88.1	Confident	85.5	Confident	3 Å²	3	65.8 Å²	65.8	3%	0.031	34%	0.338	C	S	.	.	S	Bend	trans	142.1	171.9	-176.7	0	0	0	0	0	111.7	I11 N70 Y77 T79	I11-G13 PolarHBondContact O-N 2.95Å; G13-N70 VanDerWaalsContact CA-O 3.32Å; G13-N70 WeakPolarHBondContact CA-O 3.21Å; G13-Y77 PolarHBondContact N-O 2.84Å; G13-Y77 CarbonylContact O-C 3.5Å; G13-Y77 WeakPolarHBondContact O-CB 3.03Å; G13-T79 PolarHBondContact O-OG1 3.17Å
14	R	89.3	Confident	86.9	Confident	82 Å²	82	70.7 Å²	70.7	31%	0.309	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	147	179.6	-172.5	176.7	179.6	-177.4	0.5	110.1	N70 D75 Y77	R14-N70 PolarHBondContact N-O 2.92Å; R14-N70 PolarHBondContact O-N 2.91Å; R14-D75 IonicContact NH1-OD2 3.98Å; R14-Y77 HydrophobicContact CB-CG 4.31Å; R14-Y77 HydrophobicContact CG-CG 4.38Å
15	P	89.4	Confident	88.2	Confident	5 Å²	5	65.7 Å²	65.7	3%	0.032	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	143	173	-18.7	31.9	0	0	0	111.1	F19 L20 L46 Y60 T68 T79	P15-F19 HydrophobicContact CB-CB 4.34Å; P15-F19 HydrophobicContact CB-CD1 3.66Å; P15-F19 HydrophobicContact CB-CE1 4.37Å; P15-F19 HydrophobicContact CB-CG 4.3Å; P15-F19 HydrophobicContact CG-CD1 4.47Å; P15-L20 HydrophobicContact CB-CD2 3.74Å; P15-L20 HydrophobicContact CB-CG 4.36Å; P15-L20 HydrophobicContact CG-CD2 4.06Å; P15-L46 HydrophobicContact CG-CD2 3.9Å; P15-Y60 HydrophobicContact CG-CE2 4.13Å; P15-T68 CarbonylContact C-O 3.5Å; P15-T68 WeakPolarHBondContact CA-O 3.45Å; P15-T79 WeakPolarHBondContact CD-OG1 3.43Å; P15-T79 HydrophobicContact CG-CG2 4.1Å
16	I	91	Very high	89.1	Confident	56 Å²	56	63.1 Å²	63.1	29%	0.287	32%	0.316	S	S	.	.			trans	-64.6	154.3	177.9	60.6	164.5	0	0	0	111.2	S18 F19 L20 T67 T68 N70	I16-S18 VanDerWaalsContact C-N 3.28Å; I16-S18 WeakPolarHBondContact CD1-OG 2.95Å; I16-S18 PolarHBondContact O-N 2.86Å; I16-F19 HydrophobicContact CG1-CB 3.89Å; I16-F19 WeakPolarHBondContact O-CA 3.37Å; I16-F19 VanDerWaalsContact O-CB 3.31Å; I16-F19 WeakPolarHBondContact O-CB 3.08Å; I16-F19 PolarHBondContact O-N 2.86Å; I16-L20 PolarHBondContact O-N 3.41Å; I16-L20 VanDerWaalsContact O-N 3.08Å; I16-T67 WeakPolarHBondContact CD1-O 3.46Å; I16-T67 WeakPolarHBondContact CG1-O 3.23Å; I16-T68 PolarHBondContact N-O 3.17Å; I16-N70 HydrophobicContact CG2-CB 4.13Å
17	Q	88.8	Confident	89.8	Confident	116 Å²	116	64 Å²	64	54%	0.542	32%	0.319	S	S	.	.	H	α-helix	trans	-56	-39.8	-173.6	-172.3	61.4	28.3	0	0	113.6	F19 L20 Q21	Q17-F19 VanDerWaalsContact C-N 3.26Å; Q17-F19 PolarHBondContact O-N 3.35Å; Q17-L20 WeakPolarHBondContact O-CB 3.16Å; Q17-L20 PolarHBondContact O-N 3.28Å; Q17-Q21 WeakPolarHBondContact O-CG 3.18Å; Q17-Q21 PolarHBondContact O-N 2.75Å; Q17-Q21 VanDerWaalsContact O-N 3.1Å
18	S	88.1	Confident	90.2	Very high	61 Å²	61	63 Å²	63	43%	0.427	32%	0.317	S	S	.	.	H	α-helix	trans	-66.4	-29	177.3	58.3	0	0	0	0	112.6	I16 N22	I16-S18 VanDerWaalsContact C-N 3.28Å; I16-S18 WeakPolarHBondContact CD1-OG 2.95Å; I16-S18 PolarHBondContact O-N 2.86Å; S18-N22 PolarHBondContact O-N 3.44Å; S18-N22 PolarHBondContact O-ND2 3.18Å
19	F	88.2	Confident	90.4	Very high	12 Å²	12	66.2 Å²	66.2	5%	0.053	34%	0.337	C	S	.	.	H	α-helix	trans	-72.1	-44.5	173.9	-173.6	-87.6	0	0	0	110.7	P15 I16 Q17 Q21 N22 Y23 L46 Y60 T68	P15-F19 HydrophobicContact CB-CB 4.34Å; P15-F19 HydrophobicContact CB-CD1 3.66Å; P15-F19 HydrophobicContact CB-CE1 4.37Å; P15-F19 HydrophobicContact CB-CG 4.3Å; P15-F19 HydrophobicContact CG-CD1 4.47Å; I16-F19 HydrophobicContact CG1-CB 3.89Å; I16-F19 WeakPolarHBondContact O-CA 3.37Å; I16-F19 VanDerWaalsContact O-CB 3.31Å; I16-F19 WeakPolarHBondContact O-CB 3.08Å; I16-F19 PolarHBondContact O-N 2.86Å; Q17-F19 VanDerWaalsContact C-N 3.26Å; Q17-F19 PolarHBondContact O-N 3.35Å; F19-Q21 VanDerWaalsContact C-N 3.28Å; F19-Q21 PolarHBondContact O-N 2.87Å; F19-N22 PolarHBondContact O-N 3.34Å; F19-Y23 HydrophobicContact CD1-CD2 4.38Å; F19-Y23 AromaticContact CD2-CD2 3.4Å; F19-Y23 HydrophobicContact CD2-CD2 3.4Å; F19-Y23 VanDerWaalsContact CD2-CD2 3.4Å; F19-Y23 AromaticContact CD2-CE2 3.84Å; F19-Y23 HydrophobicContact CD2-CE2 3.84Å; F19-Y23 HydrophobicContact CD2-CG 4.23Å; F19-Y23 HydrophobicContact CE1-CD2 4.46Å; F19-Y23 HydrophobicContact CE1-CG 4.5Å; F19-Y23 AromaticContact CE2-CD2 3.54Å; F19-Y23 HydrophobicContact CE2-CD2 3.54Å; F19-Y23 HydrophobicContact CE2-CE2 4.04Å; F19-Y23 AromaticContact CE2-CG 3.95Å; F19-Y23 HydrophobicContact CE2-CG 3.95Å; F19-Y23 AromaticContact CG-CD2 3.88Å; F19-Y23 HydrophobicContact CG-CD2 3.88Å; F19-Y23 HydrophobicContact CZ-CD2 4.08Å; F19-Y23 HydrophobicContact CZ-CG 4.09Å; F19-Y23 WeakPolarHBondContact O-CD2 3.47Å; F19-Y23 PolarHBondContact O-N 3.38Å; F19-L46 HydrophobicContact CE1-CD1 3.81Å; F19-L46 HydrophobicContact CE1-CD2 3.97Å; F19-L46 HydrophobicContact CE1-CG 4.37Å; F19-L46 HydrophobicContact CE2-CD1 4.44Å; F19-L46 HydrophobicContact CZ-CB 4.4Å; F19-L46 HydrophobicContact CZ-CD1 3.62Å; F19-L46 HydrophobicContact CZ-CD2 4.5Å; F19-L46 HydrophobicContact CZ-CG 4.41Å; F19-Y60 HydrophobicContact CD1-CD1 4.34Å; F19-Y60 HydrophobicContact CE1-CD1 4.07Å; F19-Y60 HydrophobicContact CE1-CD2 4.49Å; F19-Y60 AromaticContact CE1-CG 3.84Å; F19-Y60 HydrophobicContact CE1-CG 3.84Å; F19-T68 HydrophobicContact CD1-CG2 4.13Å; F19-T68 HydrophobicContact CD2-CG2 3.44Å; F19-T68 VanDerWaalsContact CD2-CG2 3.44Å; F19-T68 HydrophobicContact CE1-CG2 4.17Å; F19-T68 HydrophobicContact CE2-CG2 3.47Å; F19-T68 VanDerWaalsContact CE2-CG2 3.47Å; F19-T68 HydrophobicContact CG-CG2 3.76Å; F19-T68 HydrophobicContact CZ-CG2 3.84Å
20	L	88.1	Confident	90.1	Very high	22 Å²	22	65.3 Å²	65.3	12%	0.115	34%	0.335	C	S	.	.	H	α-helix	trans	-55.3	-45.3	177.2	-59.3	179.4	0	0	0	111.2	P15 I16 Q17 N22 W24 Y60	P15-L20 HydrophobicContact CB-CD2 3.74Å; P15-L20 HydrophobicContact CB-CG 4.36Å; P15-L20 HydrophobicContact CG-CD2 4.06Å; I16-L20 PolarHBondContact O-N 3.41Å; I16-L20 VanDerWaalsContact O-N 3.08Å; Q17-L20 WeakPolarHBondContact O-CB 3.16Å; Q17-L20 PolarHBondContact O-N 3.28Å; L20-N22 PolarHBondContact O-N 3.45Å; L20-W24 WeakPolarHBondContact O-CB 3.44Å; L20-W24 PolarHBondContact O-N 3.02Å; L20-Y60 HydrophobicContact CD2-CD1 4.34Å; L20-Y60 HydrophobicContact CD2-CE1 3.29Å; L20-Y60 VanDerWaalsContact CD2-CZ 3.46Å; L20-Y60 WeakPolarHBondContact CD2-OH 3.35Å
21	Q	87.8	Confident	89.6	Confident	142 Å²	142	71.7 Å²	71.7	66%	0.664	36%	0.356	S	S	*	.	H	α-helix	trans	-68.8	-31.2	-176.5	-72.3	173.3	-18.7	0	0	114.1	Q17 F19	Q17-Q21 WeakPolarHBondContact O-CG 3.18Å; Q17-Q21 PolarHBondContact O-N 2.75Å; Q17-Q21 VanDerWaalsContact O-N 3.1Å; F19-Q21 VanDerWaalsContact C-N 3.28Å; F19-Q21 PolarHBondContact O-N 2.87Å
22	N	92.2	Very high	89.2	Confident	119 Å²	119	72.7 Å²	72.7	64%	0.636	37%	0.368	S	S	*	.	H	α-helix	trans	-97.4	-25.1	-172.7	-70.3	-49.2	0	0	0	113.7	S18 F19 L20	S18-N22 PolarHBondContact O-N 3.44Å; S18-N22 PolarHBondContact O-ND2 3.18Å; F19-N22 PolarHBondContact O-N 3.34Å; L20-N22 PolarHBondContact O-N 3.45Å
23	Y	93.2	Very high	89.2	Confident	102 Å²	102	73 Å²	73	40%	0.4	36%	0.363	S	S	.	.	H	α-helix	trans	-121.8	-4.2	-169.7	-62.9	-75.8	0	0	0	114.4	F19 L25 Y60 S61 G62	F19-Y23 HydrophobicContact CD1-CD2 4.38Å; F19-Y23 AromaticContact CD2-CD2 3.4Å; F19-Y23 HydrophobicContact CD2-CD2 3.4Å; F19-Y23 VanDerWaalsContact CD2-CD2 3.4Å; F19-Y23 AromaticContact CD2-CE2 3.84Å; F19-Y23 HydrophobicContact CD2-CE2 3.84Å; F19-Y23 HydrophobicContact CD2-CG 4.23Å; F19-Y23 HydrophobicContact CE1-CD2 4.46Å; F19-Y23 HydrophobicContact CE1-CG 4.5Å; F19-Y23 AromaticContact CE2-CD2 3.54Å; F19-Y23 HydrophobicContact CE2-CD2 3.54Å; F19-Y23 HydrophobicContact CE2-CE2 4.04Å; F19-Y23 AromaticContact CE2-CG 3.95Å; F19-Y23 HydrophobicContact CE2-CG 3.95Å; F19-Y23 AromaticContact CG-CD2 3.88Å; F19-Y23 HydrophobicContact CG-CD2 3.88Å; F19-Y23 HydrophobicContact CZ-CD2 4.08Å; F19-Y23 HydrophobicContact CZ-CG 4.09Å; F19-Y23 WeakPolarHBondContact O-CD2 3.47Å; F19-Y23 PolarHBondContact O-N 3.38Å; Y23-L25 PolarHBondContact O-N 2.91Å; Y23-Y60 CarbonylContact O-C 3.49Å; Y23-Y60 WeakPolarHBondContact O-CA 3.45Å; Y23-Y60 WeakPolarHBondContact O-CB 3.08Å; Y23-S61 PolarHBondContact O-N 2.88Å; Y23-S61 PolarHBondContact O-OG 3.04Å; Y23-G62 VanDerWaalsContact CD1-CA 3.47Å
24	W	94.1	Very high	89.4	Confident	145 Å²	145	73 Å²	73	55%	0.549	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	131.8	176.2	176.4	83.9	0	0	0	110.9	L20 T27 Y60	L20-W24 WeakPolarHBondContact O-CB 3.44Å; L20-W24 PolarHBondContact O-N 3.02Å; W24-T27 PolarHBondContact NE1-OG1 3.1Å; W24-Y60 HydrophobicContact CB-CD1 4.15Å; W24-Y60 HydrophobicContact CB-CE1 4.29Å
25	L	94.3	Very high	89.5	Confident	48 Å²	48	70 Å²	70	25%	0.251	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	-60	176	-70.5	172.3	0	0	0	109.8	Y23 R43 C44 L59	Y23-L25 PolarHBondContact O-N 2.91Å; L25-R43 HydrophobicContact CD1-CB 3.93Å; L25-R43 HydrophobicContact CD2-CB 4.32Å; L25-C44 HydrophobicContact CD1-CB 4.28Å; L25-L59 PolarHBondContact N-O 3.01Å
26	E	94.7	Very high	89.6	Confident	74 Å²	74	73 Å²	73	35%	0.346	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	164.3	-174.1	60.9	-177.5	154	0	0	111	V28 N41 L59	E26-V28 HydrophobicContact CG-CG1 3.97Å; E26-N41 PolarHBondContact OE1-ND2 2.03Å; E26-L59 HydrophobicContact CG-CB 4.13Å; E26-L59 HydrophobicContact CG-CD1 4.01Å; E26-L59 HydrophobicContact CG-CG 4.31Å; E26-L59 PolarHBondContact O-N 3.07Å
27	T	94.7	Very high	89.6	Confident	59 Å²	59	72.3 Å²	72.3	36%	0.362	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	120.2	170.7	-59.5	0	0	0	0	107.9	W24 L56 C57 N58	W24-T27 PolarHBondContact NE1-OG1 3.1Å; T27-L56 HydrophobicContact CG2-CB 3.98Å; T27-L56 HydrophobicContact CG2-CD1 4.15Å; T27-L56 HydrophobicContact CG2-CD2 4.22Å; T27-L56 HydrophobicContact CG2-CG 4.35Å; T27-C57 WeakPolarHBondContact CA-O 3.31Å; T27-N58 VanDerWaalsContact CG2-OD1 3.24Å; T27-N58 WeakPolarHBondContact CG2-OD1 3.16Å; T27-N58 PolarHBondContact OG1-OD1 3.33Å
28	V	93.4	Very high	89.7	Confident	33 Å²	33	66.8 Å²	66.8	20%	0.2	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	151.3	-175.9	-63.4	0	0	0	0	110.4	E26 A30 L37 L56 C57 L59	E26-V28 HydrophobicContact CG-CG1 3.97Å; V28-A30 PolarHBondContact O-N 2.79Å; V28-L37 HydrophobicContact CG2-CB 4.37Å; V28-L37 HydrophobicContact CG2-CD1 3.73Å; V28-L56 WeakPolarHBondContact O-CA 3.44Å; V28-C57 HydrophobicContact CG2-CB 3.78Å; V28-C57 PolarHBondContact N-O 3.31Å; V28-C57 PolarHBondContact O-N 3.45Å; V28-L59 HydrophobicContact CG1-CD1 4.47Å; V28-L59 HydrophobicContact CG2-CD1 4.13Å; V28-L59 HydrophobicContact CG2-CG 4.23Å
29	N	92	Very high	89.9	Confident	97 Å²	97	68 Å²	68	52%	0.519	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	128.3	175.8	-169.9	-42.2	0	0	0	109.8	K31 E55	N29-K31 HydrophobicContact CB-CG 4.49Å; N29-K31 PolarHBondContact O-N 3.27Å; N29-K31 WeakPolarHBondContact OD1-CG 3.47Å; N29-K31 PolarHBondContact OD1-N 3.44Å; N29-E55 PolarHBondContact OD1-O 3.34Å
30	A	83.1	Confident	90	Very high	19 Å²	19	76.4 Å²	76.4	16%	0.157	37%	0.369	C	S	.	.			trans	-78	42	-177.4	0	0	0	0	0	112.8	V28 S32 P54 E55 C57	V28-A30 PolarHBondContact O-N 2.79Å; A30-S32 CarbonylContact C-O 3.52Å; A30-S32 PolarHBondContact O-N 3.26Å; A30-P54 HydrophobicContact CB-CB 4.21Å; A30-P54 WeakPolarHBondContact CB-O 3.31Å; A30-E55 PolarHBondContact N-O 3.19Å; A30-C57 WeakPolarHBondContact CB-SG 3.3Å
31	K	78.5	Confident	90.2	Very high	182 Å²	182	76.8 Å²	76.8	79%	0.791	37%	0.371	S	S	*	.	S	Bend	trans	-60.1	-13.8	168.9	-64.9	-170	178.1	-178.7	0	112.3	N29	N29-K31 HydrophobicContact CB-CG 4.49Å; N29-K31 PolarHBondContact O-N 3.27Å; N29-K31 WeakPolarHBondContact OD1-CG 3.47Å; N29-K31 PolarHBondContact OD1-N 3.44Å
32	S	77.6	Confident	90.4	Very high	66 Å²	66	76 Å²	76	46%	0.462	38%	0.378	S	S	.	.	S	Bend	trans	-138.9	166.5	177	-58.9	0	0	0	0	109.3	A30 C34	A30-S32 CarbonylContact C-O 3.52Å; A30-S32 PolarHBondContact O-N 3.26Å; S32-C34 PolarHBondContact O-N 3.22Å
33	D	87.7	Confident	90.4	Very high	90 Å²	90	79 Å²	79	48%	0.481	38%	0.381	S	S	.	.			trans	-55.3	128.5	177.3	-170.1	-35	0	0	0	111.3	F35 I36 L37	D33-F35 PolarHBondContact O-N 3.02Å; D33-F35 VanDerWaalsContact OD1-CB 3.26Å; D33-F35 WeakPolarHBondContact OD1-CB 3.41Å; D33-F35 PolarHBondContact OD1-N 2.88Å; D33-I36 HydrophobicContact CB-CB 4.32Å; D33-I36 HydrophobicContact CB-CD1 3.94Å; D33-I36 HydrophobicContact CB-CG1 4.02Å; D33-I36 WeakPolarHBondContact O-CB 2.96Å; D33-I36 PolarHBondContact O-N 2.71Å; D33-L37 PolarHBondContact O-N 3.11Å
34	C	90.4	Very high	90.5	Very high	3 Å²	3	74.3 Å²	74.3	2%	0.02	36%	0.363	C	S	.	.	H	α-helix	trans	-59.3	-29.9	179.9	-60.2	0	0	0	0	113.1	S32 C38 Y47 H49 C57	S32-C34 PolarHBondContact O-N 3.22Å; C34-C38 VanDerWaalsContact O-CB 3.31Å; C34-C38 WeakPolarHBondContact O-CB 3.33Å; C34-C38 PolarHBondContact O-N 2.72Å; C34-Y47 HydrophobicContact CB-CD2 3.44Å; C34-Y47 VanDerWaalsContact CB-CD2 3.44Å; C34-Y47 HydrophobicContact CB-CE2 3.92Å; C34-Y47 HydrophobicContact CB-CG 4.08Å; C34-H49 VanDerWaalsContact SG-CB 3.51Å; C34-H49 PolarHBondContact SG-CD2 3.06Å; C34-C57 WeakPolarHBondContact CA-SG 3.49Å; C34-C57 HydrophobicContact CB-CB 3.67Å; C34-C57 WeakPolarHBondContact CB-SG 3.37Å; C34-C57 WeakPolarHBondContact SG-CB 3.19Å; C34-C57 CovalentContact SG-SG 2.02Å; C34-C57 PolarHBondContact SG-SG 3.27Å
35	F	91.6	Very high	90.4	Very high	19 Å²	19	69.4 Å²	69.4	8%	0.083	35%	0.347	C	S	.	.	H	α-helix	trans	-61.5	-47.9	173.1	174.2	-115.7	0	0	0	111.1	W8 D33 C38 Q39 Y47 I109	W8-F35 HydrophobicContact CB-CE2 4.16Å; W8-F35 HydrophobicContact CD2-CD2 4.32Å; W8-F35 AromaticContact CD2-CE2 3.63Å; W8-F35 HydrophobicContact CD2-CE2 3.63Å; W8-F35 AromaticContact CE2-CE2 3.96Å; W8-F35 HydrophobicContact CE3-CD2 4.18Å; W8-F35 AromaticContact CE3-CE2 3.95Å; W8-F35 HydrophobicContact CE3-CE2 3.95Å; W8-F35 AromaticContact CG-CE2 3.71Å; W8-F35 HydrophobicContact CG-CE2 3.71Å; W8-F35 HydrophobicContact CG-CZ 4.42Å; D33-F35 PolarHBondContact O-N 3.02Å; D33-F35 VanDerWaalsContact OD1-CB 3.26Å; D33-F35 WeakPolarHBondContact OD1-CB 3.41Å; D33-F35 PolarHBondContact OD1-N 2.88Å; F35-C38 WeakPolarHBondContact O-CB 3.41Å; F35-C38 PolarHBondContact O-N 2.03Å; F35-Q39 HydrophobicContact CD2-CG 4.46Å; F35-Q39 HydrophobicContact CE1-CG 4.37Å; F35-Q39 HydrophobicContact CE2-CG 4.16Å; F35-Q39 HydrophobicContact CZ-CG 4.14Å; F35-Q39 WeakPolarHBondContact O-CG 3.31Å; F35-Q39 PolarHBondContact O-N 2.88Å; F35-Y47 HydrophobicContact CB-CE1 3.95Å; F35-Y47 AromaticContact CD2-CE1 3.86Å; F35-Y47 HydrophobicContact CD2-CE1 3.86Å; F35-Y47 HydrophobicContact CG-CE1 4.42Å; F35-I109 HydrophobicContact CD1-CD1 4.41Å; F35-I109 HydrophobicContact CE1-CD1 4.45Å; F35-I109 HydrophobicContact CE1-CG2 3.95Å; F35-I109 HydrophobicContact CZ-CG2 3.87Å
36	I	91.5	Very high	90.4	Very high	68 Å²	68	67.1 Å²	67.1	35%	0.349	34%	0.335	S	S	.	.	H	α-helix	trans	-64.8	-45.5	-179.9	-64.6	177.6	0	0	0	110.1	D33 C38 Q39 Y40	D33-I36 HydrophobicContact CB-CB 4.32Å; D33-I36 HydrophobicContact CB-CD1 3.94Å; D33-I36 HydrophobicContact CB-CG1 4.02Å; D33-I36 WeakPolarHBondContact O-CB 2.96Å; D33-I36 PolarHBondContact O-N 2.71Å; I36-C38 VanDerWaalsContact C-N 3.26Å; I36-C38 PolarHBondContact O-N 3.49Å; I36-Q39 WeakPolarHBondContact O-CB 3.18Å; I36-Q39 PolarHBondContact O-N 2.84Å; I36-Y40 HydrophobicContact CG2-CD2 3.64Å; I36-Y40 HydrophobicContact CG2-CE2 3.26Å; I36-Y40 WeakPolarHBondContact O-CD2 3.07Å; I36-Y40 PolarHBondContact O-N 3.43Å
37	L	91.2	Very high	90.4	Very high	42 Å²	42	64.1 Å²	64.1	22%	0.22	32%	0.321	C	S	.	.	H	α-helix	trans	-59.3	-39.6	176.5	-65.6	175.3	0	0	0	111.8	V28 D33 Y40 N41 C57	V28-L37 HydrophobicContact CG2-CB 4.37Å; V28-L37 HydrophobicContact CG2-CD1 3.73Å; D33-L37 PolarHBondContact O-N 3.11Å; L37-Y40 PolarHBondContact O-N 2.86Å; L37-N41 PolarHBondContact O-N 2.78Å; L37-C57 HydrophobicContact CD1-CB 4.46Å
38	C	92.5	Very high	90.4	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-66.9	-39.6	173.9	-169.3	0	0	0	0	111.9	C34 F35 I36 Y40 N41 C44 Y47 L59	C34-C38 VanDerWaalsContact O-CB 3.31Å; C34-C38 WeakPolarHBondContact O-CB 3.33Å; C34-C38 PolarHBondContact O-N 2.72Å; F35-C38 WeakPolarHBondContact O-CB 3.41Å; F35-C38 PolarHBondContact O-N 2.03Å; I36-C38 VanDerWaalsContact C-N 3.26Å; I36-C38 PolarHBondContact O-N 3.49Å; C38-Y40 VanDerWaalsContact C-N 3.29Å; C38-Y40 PolarHBondContact O-N 2.88Å; C38-N41 PolarHBondContact O-N 3.28Å; C38-C44 WeakPolarHBondContact CA-SG 3.41Å; C38-C44 HydrophobicContact CB-CB 4.02Å; C38-C44 WeakPolarHBondContact CB-SG 3.49Å; C38-C44 WeakPolarHBondContact O-CB 3.34Å; C38-C44 VanDerWaalsContact SG-C 3.59Å; C38-C44 WeakPolarHBondContact SG-CB 3.19Å; C38-C44 CovalentContact SG-SG 2.03Å; C38-C44 PolarHBondContact SG-SG 3.02Å; C38-Y47 HydrophobicContact CB-CD1 3.92Å; C38-Y47 HydrophobicContact CB-CG 4.36Å; C38-L59 HydrophobicContact CB-CD2 4.01Å
39	Q	90.4	Very high	90.4	Very high	85 Å²	85	61.1 Å²	61.1	40%	0.397	30%	0.301	S	S	.	.	H	α-helix	trans	-64	-33	176.9	-73.9	-170.2	-33.8	0	0	113.5	F35 I36 N41	F35-Q39 HydrophobicContact CD2-CG 4.46Å; F35-Q39 HydrophobicContact CE1-CG 4.37Å; F35-Q39 HydrophobicContact CE2-CG 4.16Å; F35-Q39 HydrophobicContact CZ-CG 4.14Å; F35-Q39 WeakPolarHBondContact O-CG 3.31Å; F35-Q39 PolarHBondContact O-N 2.88Å; I36-Q39 WeakPolarHBondContact O-CB 3.18Å; I36-Q39 PolarHBondContact O-N 2.84Å; Q39-N41 VanDerWaalsContact C-N 3.32Å
40	Y	91.2	Very high	90.3	Very high	190 Å²	190	61.1 Å²	61.1	75%	0.745	30%	0.296	S	S	*	.	H	α-helix	trans	-73.9	-22.2	175.9	-76.3	-61.1	0	0	0	113.5	I36 L37 C38 P42	I36-Y40 HydrophobicContact CG2-CD2 3.64Å; I36-Y40 HydrophobicContact CG2-CE2 3.26Å; I36-Y40 WeakPolarHBondContact O-CD2 3.07Å; I36-Y40 PolarHBondContact O-N 3.43Å; L37-Y40 PolarHBondContact O-N 2.86Å; C38-Y40 VanDerWaalsContact C-N 3.29Å; C38-Y40 PolarHBondContact O-N 2.88Å; Y40-P42 WeakPolarHBondContact O-CD 3.47Å
41	N	91.9	Very high	90.4	Very high	30 Å²	30	62.7 Å²	62.7	16%	0.16	31%	0.309	C	S	.	.	S	Bend	trans	-92.2	108.7	173.3	-174.2	-28.4	0	0	0	109.6	E26 L37 C38 Q39 R43 C44 L59	E26-N41 PolarHBondContact OE1-ND2 2.03Å; L37-N41 PolarHBondContact O-N 2.78Å; C38-N41 PolarHBondContact O-N 3.28Å; Q39-N41 VanDerWaalsContact C-N 3.32Å; N41-R43 PolarHBondContact O-N 2.82Å; N41-R43 WeakPolarHBondContact OD1-CB 3.2Å; N41-R43 PolarHBondContact OD1-N 2.98Å; N41-C44 HydrophobicContact CB-CB 3.84Å; N41-C44 WeakPolarHBondContact O-CB 3.31Å; N41-C44 PolarHBondContact O-N 2.9Å; N41-L59 HydrophobicContact CB-CD1 4.43Å
42	P	91.5	Very high	90.7	Very high	126 Å²	126	58.7 Å²	58.7	82%	0.818	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-14.5	-175.4	27.3	-35.6	0	0	0	113.8	Y40	Y40-P42 WeakPolarHBondContact O-CD 3.47Å
43	R	93.7	Very high	90.9	Very high	180 Å²	180	62.8 Å²	62.8	68%	0.679	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-12.9	174.4	-62.7	-178.2	176.4	175.3	-0.4	112.4	L25 N41 S61	L25-R43 HydrophobicContact CD1-CB 3.93Å; L25-R43 HydrophobicContact CD2-CB 4.32Å; N41-R43 PolarHBondContact O-N 2.82Å; N41-R43 WeakPolarHBondContact OD1-CB 3.2Å; N41-R43 PolarHBondContact OD1-N 2.98Å; R43-S61 VanDerWaalsContact O-CA 3.23Å; R43-S61 WeakPolarHBondContact O-CA 3.26Å; R43-S61 WeakPolarHBondContact O-CB 3.42Å
44	C	94.2	Very high	90.6	Very high	5 Å²	5	61.1 Å²	61.1	3%	0.034	31%	0.306	C	S	.	.			trans	-81.9	124.7	-176.3	-172.5	0	0	0	0	111.1	L25 C38 N41 L46 Y60	L25-C44 HydrophobicContact CD1-CB 4.28Å; C38-C44 WeakPolarHBondContact CA-SG 3.41Å; C38-C44 HydrophobicContact CB-CB 4.02Å; C38-C44 WeakPolarHBondContact CB-SG 3.49Å; C38-C44 WeakPolarHBondContact O-CB 3.34Å; C38-C44 VanDerWaalsContact SG-C 3.59Å; C38-C44 WeakPolarHBondContact SG-CB 3.19Å; C38-C44 CovalentContact SG-SG 2.03Å; C38-C44 PolarHBondContact SG-SG 3.02Å; N41-C44 HydrophobicContact CB-CB 3.84Å; N41-C44 WeakPolarHBondContact O-CB 3.31Å; N41-C44 PolarHBondContact O-N 2.9Å; C44-L46 PolarHBondContact SG-O 2.9Å; C44-Y60 WeakPolarHBondContact CA-O 3.3Å
45	N	93.1	Very high	90.6	Very high	41 Å²	41	66.9 Å²	66.9	22%	0.219	33%	0.332	C	S	.	.			trans	-122.5	-11.7	177.3	-72.8	-52.5	0	0	0	112.4	Y60 S61 G62 L63 G81 R82	N45-Y60 PolarHBondContact N-O 3.08Å; N45-S61 PolarHBondContact ND2-O 2.99Å; N45-G62 VanDerWaalsContact CB-O 3.3Å; N45-G62 WeakPolarHBondContact CB-O 3.13Å; N45-L63 HydrophobicContact CB-CD2 4Å; N45-G81 CarbonylContact O-C 3.5Å; N45-G81 WeakPolarHBondContact O-CA 3.49Å; N45-R82 PolarHBondContact O-N 2.95Å
46	L	94.5	Very high	90.7	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	142.5	179.9	-174.4	158.2	0	0	0	108.7	P15 F19 C44 Y60 G62 I64 T68 T79 G80	P15-L46 HydrophobicContact CG-CD2 3.9Å; F19-L46 HydrophobicContact CE1-CD1 3.81Å; F19-L46 HydrophobicContact CE1-CD2 3.97Å; F19-L46 HydrophobicContact CE1-CG 4.37Å; F19-L46 HydrophobicContact CE2-CD1 4.44Å; F19-L46 HydrophobicContact CZ-CB 4.4Å; F19-L46 HydrophobicContact CZ-CD1 3.62Å; F19-L46 HydrophobicContact CZ-CD2 4.5Å; F19-L46 HydrophobicContact CZ-CG 4.41Å; C44-L46 PolarHBondContact SG-O 2.9Å; L46-Y60 HydrophobicContact CD2-CD2 3.24Å; L46-Y60 HydrophobicContact CD2-CE2 3.75Å; L46-Y60 HydrophobicContact CD2-CG 3.96Å; L46-Y60 HydrophobicContact CG-CD2 4.46Å; L46-Y60 PolarHBondContact N-O 2.88Å; L46-Y60 VanDerWaalsContact N-O 3.11Å; L46-Y60 WeakPolarHBondContact O-CD2 3.22Å; L46-Y60 PolarHBondContact O-N 3.18Å; L46-G62 VanDerWaalsContact CB-O 3.31Å; L46-G62 WeakPolarHBondContact CB-O 3.12Å; L46-I64 HydrophobicContact CD1-CD1 4.4Å; L46-I64 HydrophobicContact CD1-CG1 3.44Å; L46-I64 VanDerWaalsContact CD1-CG1 3.44Å; L46-I64 HydrophobicContact CG-CG1 4.16Å; L46-T68 HydrophobicContact CD1-CG2 3.66Å; L46-T79 HydrophobicContact CD1-CG2 4.11Å; L46-T79 HydrophobicContact CD2-CG2 3.6Å; L46-T79 HydrophobicContact CG-CG2 3.89Å; L46-G80 CarbonylContact C-O 3.46Å; L46-G80 VanDerWaalsContact CA-O 3.31Å; L46-G80 WeakPolarHBondContact CA-O 3.49Å
47	Y	94.5	Very high	90.7	Very high	11 Å²	11	67 Å²	67	4%	0.043	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	154.3	172.9	65.3	-89.2	0	0	0	110.2	W8 C34 F35 C38 H49 N58 T79 G80	W8-Y47 HydrophobicContact CE3-CE1 4.36Å; W8-Y47 HydrophobicContact CZ3-CD1 4.12Å; W8-Y47 HydrophobicContact CZ3-CE1 4.09Å; C34-Y47 HydrophobicContact CB-CD2 3.44Å; C34-Y47 VanDerWaalsContact CB-CD2 3.44Å; C34-Y47 HydrophobicContact CB-CE2 3.92Å; C34-Y47 HydrophobicContact CB-CG 4.08Å; F35-Y47 HydrophobicContact CB-CE1 3.95Å; F35-Y47 AromaticContact CD2-CE1 3.86Å; F35-Y47 HydrophobicContact CD2-CE1 3.86Å; F35-Y47 HydrophobicContact CG-CE1 4.42Å; C38-Y47 HydrophobicContact CB-CD1 3.92Å; C38-Y47 HydrophobicContact CB-CG 4.36Å; Y47-H49 AromaticContact CD2-CD2 3.96Å; Y47-H49 AromaticContact CE2-CD2 3.93Å; Y47-N58 CarbonylContact C-O 3.49Å; Y47-N58 WeakPolarHBondContact CA-O 3.24Å; Y47-T79 CarbonylContact O-C 3.56Å; Y47-T79 WeakPolarHBondContact O-CA 3.1Å; Y47-G80 WeakPolarHBondContact CD1-O 3.19Å; Y47-G80 PolarHBondContact N-O 3.03Å; Y47-G80 PolarHBondContact O-N 3Å; Y47-G80 VanDerWaalsContact O-O 3.05Å
48	S	93.9	Very high	90.9	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	139.8	172.9	70.5	0	0	0	0	111	N58 Y60 V78	S48-N58 PolarHBondContact N-O 2.89Å; S48-N58 PolarHBondContact O-N 3.39Å; S48-Y60 VanDerWaalsContact OG-CE2 3.3Å; S48-Y60 WeakPolarHBondContact OG-CE2 3.43Å; S48-Y60 PolarHBondContact OG-OH 3.28Å; S48-V78 VanDerWaalsContact CA-O 3.26Å; S48-V78 WeakPolarHBondContact CA-O 3.41Å
49	H	93	Very high	91.1	Very high	29 Å²	29	66.3 Å²	66.3	13%	0.134	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	166	176.1	62.4	89	0	0	0	110.9	C34 Y47 P54 Y77 V78	C34-H49 VanDerWaalsContact SG-CB 3.51Å; C34-H49 PolarHBondContact SG-CD2 3.06Å; Y47-H49 AromaticContact CD2-CD2 3.96Å; Y47-H49 AromaticContact CE2-CD2 3.93Å; H49-P54 HydrophobicContact CB-CB 3.99Å; H49-Y77 VanDerWaalsContact C-CD1 3.43Å; H49-Y77 WeakPolarHBondContact O-CA 3.44Å; H49-Y77 WeakPolarHBondContact O-CD1 3.32Å; H49-V78 PolarHBondContact N-O 2.79Å; H49-V78 PolarHBondContact O-N 3.04Å
50	K	90.4	Very high	91.3	Very high	98 Å²	98	62.5 Å²	62.5	43%	0.426	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	136.5	168.9	-67.1	-179.2	179.7	174.8	0	109.2	V52 Y77	K50-V52 VanDerWaalsContact C-N 3.29Å; K50-V52 WeakPolarHBondContact CB-O 3.09Å; K50-Y77 HydrophobicContact CG-CE1 4.13Å; K50-Y77 HydrophobicContact CG-CE2 3.93Å
51	A	86	Confident	91.4	Very high	51 Å²	51	55.5 Å²	55.5	42%	0.421	29%	0.291	S	S	.	.	S	Bend	trans	-66.2	-36.5	177.3	0	0	0	0	0	111.2	H76 V78	A51-H76 HydrophobicContact CB-CB 4.24Å; A51-H76 WeakPolarHBondContact CB-O 3.1Å; A51-H76 PolarHBondContact N-O 3.03Å; A51-V78 HydrophobicContact CB-CG2 3.8Å
52	V	83.8	Confident	91.3	Very high	98 Å²	98	54.2 Å²	54.2	59%	0.594	29%	0.285	S	S	*	.	S	Bend	trans	-101.3	121.8	176.1	-174.7	0	0	0	0	107.7	K50	K50-V52 VanDerWaalsContact C-N 3.29Å; K50-V52 WeakPolarHBondContact CB-O 3.09Å
53	E	82.4	Confident	91.1	Very high	152 Å²	152	50.9 Å²	50.9	71%	0.71	26%	0.26	S	S	*	.	S	Bend	trans	51.2	72.2	178.4	-63.7	177.8	167	0	0	112.7	E55	E53-E55 PolarHBondContact O-N 3.26Å
54	P	81.9	Confident	90.6	Very high	56 Å²	56	43 Å²	43	36%	0.364	23%	0.231	S	C	.	.			trans	-65.6	99.6	174.4	27.9	-32.6	0	0	0	108.7	A30 H49	A30-P54 HydrophobicContact CB-CB 4.21Å; A30-P54 WeakPolarHBondContact CB-O 3.31Å; H49-P54 HydrophobicContact CB-CB 3.99Å
55	E	89	Confident	90.1	Very high	124 Å²	124	47 Å²	47	58%	0.579	25%	0.249	S	C	*	.			trans	-83.8	-30.5	171	-64.2	179.2	152.9	0	0	111.2	N29 A30 E53	N29-E55 PolarHBondContact OD1-O 3.34Å; A30-E55 PolarHBondContact N-O 3.19Å; E53-E55 PolarHBondContact O-N 3.26Å
56	L	93.2	Very high	89	Confident	89 Å²	89	50.7 Å²	50.7	47%	0.466	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	134.3	-173.5	-61.5	175.2	0	0	0	110.6	T27 V28	T27-L56 HydrophobicContact CG2-CB 3.98Å; T27-L56 HydrophobicContact CG2-CD1 4.15Å; T27-L56 HydrophobicContact CG2-CD2 4.22Å; T27-L56 HydrophobicContact CG2-CG 4.35Å; V28-L56 WeakPolarHBondContact O-CA 3.44Å
57	C	93.3	Very high	88.1	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	124.3	167.1	-53.3	0	0	0	0	108.3	T27 V28 A30 C34 L37 L59	T27-C57 WeakPolarHBondContact CA-O 3.31Å; V28-C57 HydrophobicContact CG2-CB 3.78Å; V28-C57 PolarHBondContact N-O 3.31Å; V28-C57 PolarHBondContact O-N 3.45Å; A30-C57 WeakPolarHBondContact CB-SG 3.3Å; C34-C57 WeakPolarHBondContact CA-SG 3.49Å; C34-C57 HydrophobicContact CB-CB 3.67Å; C34-C57 WeakPolarHBondContact CB-SG 3.37Å; C34-C57 WeakPolarHBondContact SG-CB 3.19Å; C34-C57 CovalentContact SG-SG 2.02Å; C34-C57 PolarHBondContact SG-SG 3.27Å; L37-C57 HydrophobicContact CD1-CB 4.46Å; C57-L59 HydrophobicContact CB-CD2 4.31Å
58	N	94.9	Very high	87.4	Confident	26 Å²	26	55.2 Å²	55.2	14%	0.139	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	127.3	168.4	-59.3	-65.9	0	0	0	108.3	T27 Y47 S48 Y60	T27-N58 VanDerWaalsContact CG2-OD1 3.24Å; T27-N58 WeakPolarHBondContact CG2-OD1 3.16Å; T27-N58 PolarHBondContact OG1-OD1 3.33Å; Y47-N58 CarbonylContact C-O 3.49Å; Y47-N58 WeakPolarHBondContact CA-O 3.24Å; S48-N58 PolarHBondContact N-O 2.89Å; S48-N58 PolarHBondContact O-N 3.39Å; N58-Y60 HydrophobicContact CB-CE1 4.41Å; N58-Y60 HydrophobicContact CB-CE2 3.73Å; N58-Y60 WeakPolarHBondContact CB-OH 3.05Å; N58-Y60 WeakPolarHBondContact O-CE2 3.5Å
59	L	95.4	Very high	86.9	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.01	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	142.5	-178.2	-55.8	-171.6	0	0	0	110	L25 E26 V28 C38 N41 C57	L25-L59 PolarHBondContact N-O 3.01Å; E26-L59 HydrophobicContact CG-CB 4.13Å; E26-L59 HydrophobicContact CG-CD1 4.01Å; E26-L59 HydrophobicContact CG-CG 4.31Å; E26-L59 PolarHBondContact O-N 3.07Å; V28-L59 HydrophobicContact CG1-CD1 4.47Å; V28-L59 HydrophobicContact CG2-CD1 4.13Å; V28-L59 HydrophobicContact CG2-CG 4.23Å; C38-L59 HydrophobicContact CB-CD2 4.01Å; N41-L59 HydrophobicContact CB-CD1 4.43Å; C57-L59 HydrophobicContact CB-CD2 4.31Å
60	Y	95.7	Very high	86.5	Confident	5 Å²	5	58.4 Å²	58.4	2%	0.02	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	149	-175.4	-45.8	-94.2	0	0	0	111.5	P15 F19 L20 Y23 W24 C44 N45 L46 S48 N58	P15-Y60 HydrophobicContact CG-CE2 4.13Å; F19-Y60 HydrophobicContact CD1-CD1 4.34Å; F19-Y60 HydrophobicContact CE1-CD1 4.07Å; F19-Y60 HydrophobicContact CE1-CD2 4.49Å; F19-Y60 AromaticContact CE1-CG 3.84Å; F19-Y60 HydrophobicContact CE1-CG 3.84Å; L20-Y60 HydrophobicContact CD2-CD1 4.34Å; L20-Y60 HydrophobicContact CD2-CE1 3.29Å; L20-Y60 VanDerWaalsContact CD2-CZ 3.46Å; L20-Y60 WeakPolarHBondContact CD2-OH 3.35Å; Y23-Y60 CarbonylContact O-C 3.49Å; Y23-Y60 WeakPolarHBondContact O-CA 3.45Å; Y23-Y60 WeakPolarHBondContact O-CB 3.08Å; W24-Y60 HydrophobicContact CB-CD1 4.15Å; W24-Y60 HydrophobicContact CB-CE1 4.29Å; C44-Y60 WeakPolarHBondContact CA-O 3.3Å; N45-Y60 PolarHBondContact N-O 3.08Å; L46-Y60 HydrophobicContact CD2-CD2 3.24Å; L46-Y60 HydrophobicContact CD2-CE2 3.75Å; L46-Y60 HydrophobicContact CD2-CG 3.96Å; L46-Y60 HydrophobicContact CG-CD2 4.46Å; L46-Y60 PolarHBondContact N-O 2.88Å; L46-Y60 VanDerWaalsContact N-O 3.11Å; L46-Y60 WeakPolarHBondContact O-CD2 3.22Å; L46-Y60 PolarHBondContact O-N 3.18Å; S48-Y60 VanDerWaalsContact OG-CE2 3.3Å; S48-Y60 WeakPolarHBondContact OG-CE2 3.43Å; S48-Y60 PolarHBondContact OG-OH 3.28Å; N58-Y60 HydrophobicContact CB-CE1 4.41Å; N58-Y60 HydrophobicContact CB-CE2 3.73Å; N58-Y60 WeakPolarHBondContact CB-OH 3.05Å; N58-Y60 WeakPolarHBondContact O-CE2 3.5Å
61	S	93.7	Very high	85.9	Confident	42 Å²	42	59 Å²	59	29%	0.294	32%	0.323	S	S	.	.	S	Bend	trans	-87.7	-14.7	-179.6	55.9	0	0	0	0	114.7	Y23 R43 N45	Y23-S61 PolarHBondContact O-N 2.88Å; Y23-S61 PolarHBondContact O-OG 3.04Å; R43-S61 VanDerWaalsContact O-CA 3.23Å; R43-S61 WeakPolarHBondContact O-CA 3.26Å; R43-S61 WeakPolarHBondContact O-CB 3.42Å; N45-S61 PolarHBondContact ND2-O 2.99Å
62	G	90.3	Very high	85.4	Confident	4 Å²	4	63.1 Å²	63.1	4%	0.041	34%	0.338	C	S	.	.	S	Bend	trans	-77.6	158.3	-179	0	0	0	0	0	113	Y23 N45 L46	Y23-G62 VanDerWaalsContact CD1-CA 3.47Å; N45-G62 VanDerWaalsContact CB-O 3.3Å; N45-G62 WeakPolarHBondContact CB-O 3.13Å; L46-G62 VanDerWaalsContact CB-O 3.31Å; L46-G62 WeakPolarHBondContact CB-O 3.12Å
63	L	87	Confident	84.6	Confident	55 Å²	55	59.7 Å²	59.7	29%	0.288	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-87.6	159.2	173.1	-63.2	169.5	0	0	0	110.4	N45 E65 R82	N45-L63 HydrophobicContact CB-CD2 4Å; L63-E65 PolarHBondContact O-N 2.9Å; L63-R82 HydrophobicContact CD2-CB 3.66Å
64	I	83.4	Confident	84.1	Confident	14 Å²	14	58 Å²	58	7%	0.072	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-73.8	120.2	168.3	-65.7	175.4	0	0	0	108.6	I9 L46 I69 G81 R82 V83	I9-I64 HydrophobicContact CD1-CD1 4.17Å; I9-I64 HydrophobicContact CD1-CG2 4.37Å; I9-I64 HydrophobicContact CG1-CD1 3.77Å; L46-I64 HydrophobicContact CD1-CD1 4.4Å; L46-I64 HydrophobicContact CD1-CG1 3.44Å; L46-I64 VanDerWaalsContact CD1-CG1 3.44Å; L46-I64 HydrophobicContact CG-CG1 4.16Å; I64-I69 HydrophobicContact CD1-CD1 3.93Å; I64-I69 HydrophobicContact CG1-CD1 4.12Å; I64-I69 HydrophobicContact CG2-CD1 4.01Å; I64-G81 VanDerWaalsContact CD1-CA 3.45Å; I64-R82 PolarHBondContact N-O 3.37Å; I64-V83 HydrophobicContact CB-CG1 3.47Å; I64-V83 VanDerWaalsContact CB-CG1 3.47Å; I64-V83 HydrophobicContact CD1-CG1 4.49Å; I64-V83 HydrophobicContact CG2-CG1 3.51Å
65	E	81.9	Confident	83.7	Confident	89 Å²	89	59.1 Å²	59.1	42%	0.416	32%	0.321	S	S	.	.			trans	-120.8	172.5	168.4	-53.4	-158.2	133	0	0	110.4	L63 T67 T68 K87	L63-E65 PolarHBondContact O-N 2.9Å; E65-T67 PolarHBondContact O-N 2.94Å; E65-T68 WeakPolarHBondContact CA-OG1 3.48Å; E65-T68 PolarHBondContact N-OG1 3.22Å; E65-T68 WeakPolarHBondContact O-CB 3.35Å; E65-T68 PolarHBondContact O-N 3Å; E65-T68 PolarHBondContact O-OG1 2.93Å; E65-K87 IonicContact OE1-NZ 3.94Å; E65-K87 PolarHBondContact OE1-NZ 3.08Å; E65-K87 IonicContact OE2-NZ 2.71Å
66	N	71	Confident	83.5	Confident	119 Å²	119	59.8 Å²	59.8	64%	0.636	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-25.2	-171.7	-155	24.8	0	0	0	113.6
67	T	75.4	Confident	83.3	Confident	100 Å²	100	57.2 Å²	57.2	61%	0.613	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	0.1	-179.6	53.4	0	0	0	0	113.3	I16 E65	I16-T67 WeakPolarHBondContact CD1-O 3.46Å; I16-T67 WeakPolarHBondContact CG1-O 3.23Å; E65-T67 PolarHBondContact O-N 2.94Å
68	T	80.8	Confident	83.2	Confident	6 Å²	6	58.5 Å²	58.5	4%	0.037	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-34.2	-171	-59.3	0	0	0	0	112.6	P15 I16 F19 L46 E65	P15-T68 CarbonylContact C-O 3.5Å; P15-T68 WeakPolarHBondContact CA-O 3.45Å; I16-T68 PolarHBondContact N-O 3.17Å; F19-T68 HydrophobicContact CD1-CG2 4.13Å; F19-T68 HydrophobicContact CD2-CG2 3.44Å; F19-T68 VanDerWaalsContact CD2-CG2 3.44Å; F19-T68 HydrophobicContact CE1-CG2 4.17Å; F19-T68 HydrophobicContact CE2-CG2 3.47Å; F19-T68 VanDerWaalsContact CE2-CG2 3.47Å; F19-T68 HydrophobicContact CG-CG2 3.76Å; F19-T68 HydrophobicContact CZ-CG2 3.84Å; L46-T68 HydrophobicContact CD1-CG2 3.66Å; E65-T68 WeakPolarHBondContact CA-OG1 3.48Å; E65-T68 PolarHBondContact N-OG1 3.22Å; E65-T68 WeakPolarHBondContact O-CB 3.35Å; E65-T68 PolarHBondContact O-N 3Å; E65-T68 PolarHBondContact O-OG1 2.93Å
69	I	83.3	Confident	83	Confident	22 Å²	22	57.3 Å²	57.3	11%	0.113	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.3	-170	-55.9	174.2	0	0	0	110.1	I11 I64 I71 T79	I11-I69 HydrophobicContact CB-CD1 4.36Å; I11-I69 HydrophobicContact CD1-CD1 4.24Å; I64-I69 HydrophobicContact CD1-CD1 3.93Å; I64-I69 HydrophobicContact CG1-CD1 4.12Å; I64-I69 HydrophobicContact CG2-CD1 4.01Å; I69-I71 HydrophobicContact CG2-CG2 4.18Å; I69-I71 PolarHBondContact O-N 2.77Å; I69-T79 HydrophobicContact CD1-CG2 3.73Å; I69-T79 HydrophobicContact CG1-CG2 4.02Å
70	N	83.4	Confident	82.9	Confident	74 Å²	74	57.2 Å²	57.2	40%	0.396	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	98.4	164.9	-175.1	-0.1	0	0	0	109.7	G13 R14 I16 N72 S73	G13-N70 VanDerWaalsContact CA-O 3.32Å; G13-N70 WeakPolarHBondContact CA-O 3.21Å; R14-N70 PolarHBondContact N-O 2.92Å; R14-N70 PolarHBondContact O-N 2.91Å; I16-N70 HydrophobicContact CG2-CB 4.13Å; N70-N72 PolarHBondContact O-N 2.86Å; N70-N72 PolarHBondContact OD1-N 2.97Å; N70-S73 WeakPolarHBondContact O-CB 3.39Å; N70-S73 PolarHBondContact O-N 2.87Å
71	I	77.5	Confident	82.7	Confident	111 Å²	111	57 Å²	57	57%	0.569	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-16.4	176.7	59.8	171.3	0	0	0	113.5	I11 I69 S73	I11-I71 HydrophobicContact CG2-CG2 4.12Å; I69-I71 HydrophobicContact CG2-CG2 4.18Å; I69-I71 PolarHBondContact O-N 2.77Å; I71-S73 VanDerWaalsContact C-N 3.26Å; I71-S73 PolarHBondContact O-N 3.31Å
72	N	75.3	Confident	82.4	Confident	137 Å²	137	57.3 Å²	57.3	73%	0.733	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	6.4	178.6	-65.6	-17.8	0	0	0	112.5	N70 T74	N70-N72 PolarHBondContact O-N 2.86Å; N70-N72 PolarHBondContact OD1-N 2.97Å; N72-T74 PolarHBondContact O-N 2.93Å
73	S	68.8	Low	82.2	Confident	27 Å²	27	57.4 Å²	57.4	19%	0.189	30%	0.303	C	S	.	.			trans	-62.9	122.5	174.5	167.2	0	0	0	0	110.5	N70 I71 D75	N70-S73 WeakPolarHBondContact O-CB 3.39Å; N70-S73 PolarHBondContact O-N 2.87Å; I71-S73 VanDerWaalsContact C-N 3.26Å; I71-S73 PolarHBondContact O-N 3.31Å; S73-D75 PolarHBondContact O-N 3.35Å; S73-D75 PolarHBondContact OG-N 3.38Å
74	T	70.7	Confident	81.9	Confident	115 Å²	115	56 Å²	56	71%	0.706	30%	0.297	S	S	*	.	S	Bend	trans	-73	-10.2	173.9	45.5	0	0	0	0	113.5	N72 H76	N72-T74 PolarHBondContact O-N 2.93Å; T74-H76 PolarHBondContact O-CD2 3.22Å; T74-H76 PolarHBondContact O-N 3.35Å
75	D	73.7	Confident	81.2	Confident	81 Å²	81	56.6 Å²	56.6	43%	0.433	30%	0.303	S	S	.	.	S	Bend	trans	-75.9	11.2	-164.5	-56.9	-11.1	0	0	0	114.7	R14 S73 Y77	R14-D75 IonicContact NH1-OD2 3.98Å; S73-D75 PolarHBondContact O-N 3.35Å; S73-D75 PolarHBondContact OG-N 3.38Å; D75-Y77 VanDerWaalsContact C-N 3.32Å; D75-Y77 HydrophobicContact CB-CD2 3.62Å; D75-Y77 HydrophobicContact CB-CE2 3.92Å; D75-Y77 WeakPolarHBondContact O-CD2 3.46Å; D75-Y77 PolarHBondContact O-N 2.02Å
76	H	84.5	Confident	80.2	Confident	138 Å²	138	57.3 Å²	57.3	64%	0.639	32%	0.316	S	S	*	.			trans	46.8	52.2	-176.4	-61.7	-80.7	0	0	0	112.2	A51 T74	A51-H76 HydrophobicContact CB-CB 4.24Å; A51-H76 WeakPolarHBondContact CB-O 3.1Å; A51-H76 PolarHBondContact N-O 3.03Å; T74-H76 PolarHBondContact O-CD2 3.22Å; T74-H76 PolarHBondContact O-N 3.35Å
77	Y	89.6	Confident	79.3	Confident	34 Å²	34	56.3 Å²	56.3	13%	0.133	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	148.5	172.9	-88.2	-102.2	0	0	0	110.9	G13 R14 H49 K50 D75	G13-Y77 PolarHBondContact N-O 2.84Å; G13-Y77 CarbonylContact O-C 3.5Å; G13-Y77 WeakPolarHBondContact O-CB 3.03Å; R14-Y77 HydrophobicContact CB-CG 4.31Å; R14-Y77 HydrophobicContact CG-CG 4.38Å; H49-Y77 VanDerWaalsContact C-CD1 3.43Å; H49-Y77 WeakPolarHBondContact O-CA 3.44Å; H49-Y77 WeakPolarHBondContact O-CD1 3.32Å; K50-Y77 HydrophobicContact CG-CE1 4.13Å; K50-Y77 HydrophobicContact CG-CE2 3.93Å; D75-Y77 VanDerWaalsContact C-N 3.32Å; D75-Y77 HydrophobicContact CB-CD2 3.62Å; D75-Y77 HydrophobicContact CB-CE2 3.92Å; D75-Y77 WeakPolarHBondContact O-CD2 3.46Å; D75-Y77 PolarHBondContact O-N 2.02Å
78	V	90.6	Very high	78.1	Confident	28 Å²	28	52.1 Å²	52.1	17%	0.17	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	132.6	165.7	177.9	0	0	0	0	107.4	S10 S48 H49 A51	S10-V78 WeakPolarHBondContact OG-CG1 3.26Å; S48-V78 VanDerWaalsContact CA-O 3.26Å; S48-V78 WeakPolarHBondContact CA-O 3.41Å; H49-V78 PolarHBondContact N-O 2.79Å; H49-V78 PolarHBondContact O-N 3.04Å; A51-V78 HydrophobicContact CB-CG2 3.8Å
79	T	91.6	Very high	76.4	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	119.8	176.1	-62.9	0	0	0	0	108.9	I11 G13 P15 L46 Y47 I69	I11-T79 PolarHBondContact N-O 2.69Å; I11-T79 PolarHBondContact O-N 3.37Å; G13-T79 PolarHBondContact O-OG1 3.17Å; P15-T79 WeakPolarHBondContact CD-OG1 3.43Å; P15-T79 HydrophobicContact CG-CG2 4.1Å; L46-T79 HydrophobicContact CD1-CG2 4.11Å; L46-T79 HydrophobicContact CD2-CG2 3.6Å; L46-T79 HydrophobicContact CG-CG2 3.89Å; Y47-T79 CarbonylContact O-C 3.56Å; Y47-T79 WeakPolarHBondContact O-CA 3.1Å; I69-T79 HydrophobicContact CD1-CG2 3.73Å; I69-T79 HydrophobicContact CG1-CG2 4.02Å
80	G	92.3	Very high	74.6	Confident	0 Å²	0	63 Å²	63	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	150.4	172.3	0	0	0	0	0	111.5	I9 L46 Y47	I9-G80 CarbonylContact O-C 3.59Å; I9-G80 WeakPolarHBondContact O-CA 3.2Å; L46-G80 CarbonylContact C-O 3.46Å; L46-G80 VanDerWaalsContact CA-O 3.31Å; L46-G80 WeakPolarHBondContact CA-O 3.49Å; Y47-G80 WeakPolarHBondContact CD1-O 3.19Å; Y47-G80 PolarHBondContact N-O 3.03Å; Y47-G80 PolarHBondContact O-N 3Å; Y47-G80 VanDerWaalsContact O-O 3.05Å
81	G	91.5	Very high	72.8	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.9	169.9	-175.6	0	0	0	0	0	113.9	W8 I9 N45 I64	W8-G81 WeakPolarHBondContact CA-O 3.4Å; W8-G81 VanDerWaalsContact CE3-C 3.41Å; I9-G81 PolarHBondContact N-O 3.3Å; I9-G81 PolarHBondContact O-N 3.4Å; N45-G81 CarbonylContact O-C 3.5Å; N45-G81 WeakPolarHBondContact O-CA 3.49Å; I64-G81 VanDerWaalsContact CD1-CA 3.45Å
82	R	88.9	Confident	71.1	Confident	49 Å²	49	60.8 Å²	60.8	19%	0.185	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	129	174.6	-67.9	-173.6	-179.5	-154.1	0.2	110.3	Q7 W8 N45 L63 I64 Y114	Q7-R82 CarbonylContact O-C 3.54Å; Q7-R82 WeakPolarHBondContact O-CA 3.31Å; W8-R82 HydrophobicContact CD2-CG 3.71Å; W8-R82 VanDerWaalsContact CE2-CG 3.48Å; W8-R82 HydrophobicContact CE3-CG 4.05Å; W8-R82 HydrophobicContact CG-CG 4.32Å; W8-R82 HydrophobicContact CH2-CG 3.95Å; W8-R82 HydrophobicContact CZ2-CG 3.63Å; W8-R82 HydrophobicContact CZ3-CG 4.16Å; N45-R82 PolarHBondContact O-N 2.95Å; L63-R82 HydrophobicContact CD2-CB 3.66Å; I64-R82 PolarHBondContact N-O 3.37Å; R82-Y114 PolarHBondContact NH2-OH 2.98Å
83	V	85.3	Confident	69.5	Low	7 Å²	7	61.6 Å²	61.6	4%	0.042	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	144.1	166.5	-72.4	0	0	0	0	110.2	S6 Q7 I9 I64 L88	S6-V83 CarbonylContact C-O 3.58Å; S6-V83 WeakPolarHBondContact CA-O 3.37Å; Q7-V83 HydrophobicContact CG-CG2 3.39Å; Q7-V83 PolarHBondContact N-O 3.49Å; Q7-V83 WeakPolarHBondContact O-CG2 3.45Å; Q7-V83 PolarHBondContact O-N 2.88Å; I9-V83 HydrophobicContact CD1-CB 4.31Å; I9-V83 HydrophobicContact CD1-CG1 3.34Å; I9-V83 HydrophobicContact CD1-CG2 3.97Å; I9-V83 HydrophobicContact CG1-CG1 3.84Å; I9-V83 HydrophobicContact CG1-CG2 4.1Å; I9-V83 HydrophobicContact CG2-CG2 3.81Å; I64-V83 HydrophobicContact CB-CG1 3.47Å; I64-V83 VanDerWaalsContact CB-CG1 3.47Å; I64-V83 HydrophobicContact CD1-CG1 4.49Å; I64-V83 HydrophobicContact CG2-CG1 3.51Å; V83-L88 HydrophobicContact CB-CD1 4.34Å; V83-L88 HydrophobicContact CG2-CD1 3.6Å
84	C	80.6	Confident	68.2	Low	24 Å²	24	64.7 Å²	64.7	16%	0.162	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	121.9	171.9	-68.6	0	0	0	0	111.2	C3 C86 K87	C3-C84 HydrophobicContact CB-CB 4.23Å; C3-C84 WeakPolarHBondContact CB-SG 3.46Å; C3-C84 WeakPolarHBondContact SG-CA 3.13Å; C3-C84 WeakPolarHBondContact SG-CB 3.43Å; C3-C84 CovalentContact SG-SG 2.03Å; C3-C84 PolarHBondContact SG-SG 2.86Å; C84-C86 PolarHBondContact O-N 2.84Å; C84-K87 PolarHBondContact O-N 3.21Å
85	C	68.2	Low	66.6	Low	27 Å²	27	61 Å²	61	18%	0.182	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-65.3	-25.4	-175.9	-61.6	0	0	0	0	113.3	Y5 Q7 K87 L88	Y5-C85 HydrophobicContact CD1-CB 3.48Å; Y5-C85 VanDerWaalsContact CD1-CB 3.48Å; Y5-C85 WeakPolarHBondContact CD1-SG 3.33Å; Y5-C85 HydrophobicContact CE1-CB 4.22Å; Y5-C85 VanDerWaalsContact CE1-SG 3.51Å; Y5-C85 HydrophobicContact CG-CB 4.39Å; Y5-C85 PolarHBondContact O-N 3.15Å; Q7-C85 PolarHBondContact OE1-SG 2.86Å; C85-K87 PolarHBondContact O-N 3.2Å; C85-L88 HydrophobicContact CB-CD1 4.49Å; C85-L88 WeakPolarHBondContact O-CB 3.12Å; C85-L88 PolarHBondContact O-N 3.44Å; C85-L88 VanDerWaalsContact O-N 3.08Å
86	C	61.8	Low	65	Low	104 Å²	104	61.4 Å²	61.4	70%	0.703	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-60.4	-25.1	173.1	-54.3	0	0	0	0	112.8	C84	C84-C86 PolarHBondContact O-N 2.84Å
87	K	52.5	Low	62.6	Low	98 Å²	98	61.4 Å²	61.4	43%	0.426	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-92	-11.6	177.1	-68.5	-170.3	177.5	-178	0	113.5	E65 C84 C85 K89 S90	E65-K87 IonicContact OE1-NZ 3.94Å; E65-K87 PolarHBondContact OE1-NZ 3.08Å; E65-K87 IonicContact OE2-NZ 2.71Å; C84-K87 PolarHBondContact O-N 3.21Å; C85-K87 PolarHBondContact O-N 3.2Å; K87-K89 VanDerWaalsContact C-N 3.28Å; K87-K89 PolarHBondContact O-N 3.33Å; K87-S90 PolarHBondContact O-N 3.5Å
88	L	50	Low	60.2	Low	13 Å²	13	64.4 Å²	64.4	7%	0.068	33%	0.334	C	S	.	.	H	α-helix	trans	-73.1	-15.4	-174.8	-99.3	148.5	0	0	0	114.2	Q7 V83 C85 S90 L91 F92	Q7-L88 VanDerWaalsContact CD-CD1 3.41Å; Q7-L88 HydrophobicContact CG-CD1 3.98Å; Q7-L88 VanDerWaalsContact NE2-CD1 3.26Å; V83-L88 HydrophobicContact CB-CD1 4.34Å; V83-L88 HydrophobicContact CG2-CD1 3.6Å; C85-L88 HydrophobicContact CB-CD1 4.49Å; C85-L88 WeakPolarHBondContact O-CB 3.12Å; C85-L88 PolarHBondContact O-N 3.44Å; C85-L88 VanDerWaalsContact O-N 3.08Å; L88-S90 PolarHBondContact O-N 3.01Å; L88-L91 HydrophobicContact CD2-CB 3.96Å; L88-L91 PolarHBondContact O-N 3.26Å; L88-F92 HydrophobicContact CB-CD2 3.81Å; L88-F92 HydrophobicContact CB-CE2 3.79Å; L88-F92 HydrophobicContact CD1-CE2 4.37Å; L88-F92 HydrophobicContact CD2-CD2 3.59Å; L88-F92 HydrophobicContact CD2-CE2 3.42Å; L88-F92 VanDerWaalsContact CD2-CE2 3.42Å; L88-F92 HydrophobicContact CD2-CG 4.32Å; L88-F92 HydrophobicContact CD2-CZ 4.04Å; L88-F92 HydrophobicContact CG-CD2 4.29Å; L88-F92 HydrophobicContact CG-CE2 4.04Å; L88-F92 VanDerWaalsContact O-CD2 3.31Å; L88-F92 WeakPolarHBondContact O-CD2 3.32Å; L88-F92 PolarHBondContact O-N 3.44Å
89	K	44.2	Very low	57.4	Low	183 Å²	183	65.1 Å²	65.1	80%	0.796	34%	0.335	S	S	*	.	H	α-helix	trans	-55.7	-22.9	172.3	-83.9	-167.2	177.6	-174.5	0	113.1	K87 F93	K87-K89 VanDerWaalsContact C-N 3.28Å; K87-K89 PolarHBondContact O-N 3.33Å; K89-F93 WeakPolarHBondContact O-CD2 3.37Å; K89-F93 WeakPolarHBondContact O-CE2 3.09Å
90	S	44.7	Very low	54.5	Low	72 Å²	72	73.4 Å²	73.4	50%	0.503	37%	0.374	S	S	.	.	H	α-helix	trans	-96	-37.4	174.5	177.6	0	0	0	0	113.1	K87 L88 F93	K87-S90 PolarHBondContact O-N 3.5Å; L88-S90 PolarHBondContact O-N 3.01Å; S90-F93 PolarHBondContact O-N 2.8Å
91	L	45.6	Very low	51.7	Low	46 Å²	46	84.6 Å²	84.6	24%	0.241	42%	0.416	C	S	.	.	H	α-helix	trans	-65.7	-43	179.7	-102	113	0	0	0	111.6	L88 F93 I94 T95	L88-L91 HydrophobicContact CD2-CB 3.96Å; L88-L91 PolarHBondContact O-N 3.26Å; L91-F93 PolarHBondContact O-N 2.94Å; L91-F93 VanDerWaalsContact O-N 3.11Å; L91-I94 PolarHBondContact O-N 3.34Å; L91-T95 PolarHBondContact O-N 3.44Å; L91-T95 PolarHBondContact O-OG1 2.78Å
92	F	43	Very low	48.9	Very low	93 Å²	93	92.8 Å²	92.8	41%	0.408	45%	0.452	S	S	.	.	H	α-helix	trans	-57.3	-30.4	179.9	-84.2	-71.5	0	0	0	113.4	L88 V96	L88-F92 HydrophobicContact CB-CD2 3.81Å; L88-F92 HydrophobicContact CB-CE2 3.79Å; L88-F92 HydrophobicContact CD1-CE2 4.37Å; L88-F92 HydrophobicContact CD2-CD2 3.59Å; L88-F92 HydrophobicContact CD2-CE2 3.42Å; L88-F92 VanDerWaalsContact CD2-CE2 3.42Å; L88-F92 HydrophobicContact CD2-CG 4.32Å; L88-F92 HydrophobicContact CD2-CZ 4.04Å; L88-F92 HydrophobicContact CG-CD2 4.29Å; L88-F92 HydrophobicContact CG-CE2 4.04Å; L88-F92 VanDerWaalsContact O-CD2 3.31Å; L88-F92 WeakPolarHBondContact O-CD2 3.32Å; L88-F92 PolarHBondContact O-N 3.44Å; F92-V96 WeakPolarHBondContact O-CB 3.19Å; F92-V96 WeakPolarHBondContact O-CG2 3.15Å; F92-V96 PolarHBondContact O-N 3.29Å
93	F	40.5	Very low	46.2	Very low	154 Å²	154	97.1 Å²	97.1	68%	0.675	47%	0.472	S	S	*	.	H	α-helix	trans	-70.3	-34.7	175.4	-78.1	-84.4	0	0	0	112.6	K89 S90 L91 I97	K89-F93 WeakPolarHBondContact O-CD2 3.37Å; K89-F93 WeakPolarHBondContact O-CE2 3.09Å; S90-F93 PolarHBondContact O-N 2.8Å; L91-F93 PolarHBondContact O-N 2.94Å; L91-F93 VanDerWaalsContact O-N 3.11Å; F93-I97 WeakPolarHBondContact O-CD1 3.37Å; F93-I97 VanDerWaalsContact O-CG1 3.26Å; F93-I97 WeakPolarHBondContact O-CG1 3.38Å; F93-I97 PolarHBondContact O-N 2.83Å
94	I	42.4	Very low	43.6	Very low	93 Å²	93	106 Å²	106	48%	0.477	51%	0.51	S	S	.	.	H	α-helix	trans	-78	-41.1	176.8	-57.1	175.8	0	0	0	109.6	L91 I98	L91-I94 PolarHBondContact O-N 3.34Å; I94-I98 HydrophobicContact CG2-CD1 4.04Å; I94-I98 WeakPolarHBondContact O-CG1 3.26Å; I94-I98 PolarHBondContact O-N 3.11Å
95	T	38.1	Very low	41.3	Very low	38 Å²	38	113.5 Å²	113.5	23%	0.233	54%	0.543	C	S	.	.	H	α-helix	trans	-67	-46.8	178.6	-10.4	0	0	0	0	111.1	L91 I97 I98 F99	L91-T95 PolarHBondContact O-N 3.44Å; L91-T95 PolarHBondContact O-OG1 2.78Å; T95-I97 VanDerWaalsContact C-N 3.33Å; T95-I97 PolarHBondContact O-N 2.94Å; T95-I98 CarbonylContact O-C 3.5Å; T95-I98 PolarHBondContact O-N 3.4Å; T95-I98 VanDerWaalsContact O-N 3.07Å; T95-F99 HydrophobicContact CG2-CD2 4.46Å; T95-F99 WeakPolarHBondContact O-CA 3.49Å; T95-F99 WeakPolarHBondContact O-CB 3.18Å; T95-F99 PolarHBondContact O-N 2.71Å
96	V	38.4	Very low	40.1	Very low	88 Å²	88	117.4 Å²	117.4	53%	0.533	56%	0.555	S	S	.	*	H	α-helix	trans	-59.6	-40.3	-179.4	171.1	0	0	0	0	112.1	F92 I98 F99	F92-V96 WeakPolarHBondContact O-CB 3.19Å; F92-V96 WeakPolarHBondContact O-CG2 3.15Å; F92-V96 PolarHBondContact O-N 3.29Å; V96-I98 VanDerWaalsContact C-N 3.29Å; V96-I98 PolarHBondContact O-N 2.84Å; V96-F99 WeakPolarHBondContact O-CB 3.42Å; V96-F99 PolarHBondContact O-N 3.35Å
97	I	34.1	Very low	39	Very low	139 Å²	139	121 Å²	121	71%	0.713	56%	0.561	S	S	*	*	H	α-helix	trans	-67.6	-30.6	178.3	-66.3	173	0	0	0	111.7	F93 T95	F93-I97 WeakPolarHBondContact O-CD1 3.37Å; F93-I97 VanDerWaalsContact O-CG1 3.26Å; F93-I97 WeakPolarHBondContact O-CG1 3.38Å; F93-I97 PolarHBondContact O-N 2.83Å; T95-I97 VanDerWaalsContact C-N 3.33Å; T95-I97 PolarHBondContact O-N 2.94Å
98	I	39.5	Very low	38.5	Very low	97 Å²	97	125 Å²	125	50%	0.497	58%	0.575	S	S	.	*	H	α-helix	trans	-86.7	-25.7	175.1	-59.3	174.1	0	0	0	111.3	I94 T95 V96 E100 R101	I94-I98 HydrophobicContact CG2-CD1 4.04Å; I94-I98 WeakPolarHBondContact O-CG1 3.26Å; I94-I98 PolarHBondContact O-N 3.11Å; T95-I98 CarbonylContact O-C 3.5Å; T95-I98 PolarHBondContact O-N 3.4Å; T95-I98 VanDerWaalsContact O-N 3.07Å; V96-I98 VanDerWaalsContact C-N 3.29Å; V96-I98 PolarHBondContact O-N 2.84Å; I98-E100 PolarHBondContact O-N 3.4Å; I98-R101 PolarHBondContact O-N 3.07Å; I98-R101 VanDerWaalsContact O-N 3.08Å
99	F	31.8	Very low	38.2	Very low	42 Å²	42	128.1 Å²	128.1	18%	0.184	59%	0.591	C	S	.	*	H	α-helix	trans	-63.5	-37.2	-171.3	-145.5	-104.3	0	0	0	112.6	T95 V96 R101 K102 F103 Y106	T95-F99 HydrophobicContact CG2-CD2 4.46Å; T95-F99 WeakPolarHBondContact O-CA 3.49Å; T95-F99 WeakPolarHBondContact O-CB 3.18Å; T95-F99 PolarHBondContact O-N 2.71Å; V96-F99 WeakPolarHBondContact O-CB 3.42Å; V96-F99 PolarHBondContact O-N 3.35Å; F99-R101 PolarHBondContact O-N 3.27Å; F99-K102 PolarHBondContact O-N 3.49Å; F99-F103 AromaticContact CD1-CD2 3.35Å; F99-F103 HydrophobicContact CD1-CD2 3.35Å; F99-F103 AromaticContact CD1-CE2 3.35Å; F99-F103 HydrophobicContact CD1-CE2 3.35Å; F99-F103 HydrophobicContact CD1-CG 4.43Å; F99-F103 HydrophobicContact CD1-CZ 4.4Å; F99-F103 AromaticContact CE1-CD2 3.57Å; F99-F103 HydrophobicContact CE1-CD2 3.57Å; F99-F103 AromaticContact CE1-CE2 3.37Å; F99-F103 HydrophobicContact CE1-CE2 3.37Å; F99-F103 HydrophobicContact CE1-CG 4.38Å; F99-F103 HydrophobicContact CE1-CZ 4.03Å; F99-F103 HydrophobicContact CG-CD2 4.42Å; F99-F103 PolarHBondContact O-N 3.39Å; F99-Y106 AromaticContact CD2-CD2 3.95Å; F99-Y106 HydrophobicContact CD2-CD2 3.95Å; F99-Y106 AromaticContact CD2-CE2 3.54Å; F99-Y106 HydrophobicContact CD2-CE2 3.54Å; F99-Y106 AromaticContact CD2-CZ 3.95Å; F99-Y106 HydrophobicContact CE2-CD1 4.07Å; F99-Y106 AromaticContact CE2-CD2 3.1Å; F99-Y106 HydrophobicContact CE2-CD2 3.1Å; F99-Y106 HydrophobicContact CE2-CE1 4.11Å; F99-Y106 AromaticContact CE2-CE2 3.16Å; F99-Y106 HydrophobicContact CE2-CE2 3.16Å; F99-Y106 AromaticContact CE2-CG 3.57Å; F99-Y106 HydrophobicContact CE2-CG 3.57Å; F99-Y106 AromaticContact CE2-CZ 3.68Å; F99-Y106 AromaticContact CZ-CD2 3.51Å; F99-Y106 HydrophobicContact CZ-CD2 3.51Å; F99-Y106 HydrophobicContact CZ-CE2 4Å; F99-Y106 AromaticContact CZ-CG 3.93Å; F99-Y106 HydrophobicContact CZ-CG 3.93Å
100	E	32	Very low	37.8	Very low	175 Å²	175	121.8 Å²	121.8	82%	0.818	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	-23.9	176.7	-80.1	-118.3	148	0	0	113	I98	I98-E100 PolarHBondContact O-N 3.4Å
101	R	33.1	Very low	37.4	Very low	234 Å²	234	122.9 Å²	122.9	88%	0.883	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	-11.7	-178.1	-87.6	-172.1	172	-168.4	-1.5	115.7	I98 F99	I98-R101 PolarHBondContact O-N 3.07Å; I98-R101 VanDerWaalsContact O-N 3.08Å; F99-R101 PolarHBondContact O-N 3.27Å
102	K	31.5	Very low	36.8	Very low	173 Å²	173	124.7 Å²	124.7	75%	0.752	60%	0.595	S	S	*	*	S	Bend	trans	-144.7	39.4	-176.2	-75.5	-167.5	175.1	-175	0	114.2	F99 F104	F99-K102 PolarHBondContact O-N 3.49Å; K102-F104 PolarHBondContact O-N 3.34Å
103	F	32	Very low	36.2	Very low	140 Å²	140	125.4 Å²	125.4	61%	0.614	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	22.3	-167.2	-153.8	-95.2	0	0	0	118.6	F99	F99-F103 AromaticContact CD1-CD2 3.35Å; F99-F103 HydrophobicContact CD1-CD2 3.35Å; F99-F103 AromaticContact CD1-CE2 3.35Å; F99-F103 HydrophobicContact CD1-CE2 3.35Å; F99-F103 HydrophobicContact CD1-CG 4.43Å; F99-F103 HydrophobicContact CD1-CZ 4.4Å; F99-F103 AromaticContact CE1-CD2 3.57Å; F99-F103 HydrophobicContact CE1-CD2 3.57Å; F99-F103 AromaticContact CE1-CE2 3.37Å; F99-F103 HydrophobicContact CE1-CE2 3.37Å; F99-F103 HydrophobicContact CE1-CG 4.38Å; F99-F103 HydrophobicContact CE1-CZ 4.03Å; F99-F103 HydrophobicContact CG-CD2 4.42Å; F99-F103 PolarHBondContact O-N 3.39Å
104	F	31.8	Very low	35.8	Very low	193 Å²	193	126.1 Å²	126.1	85%	0.846	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.3	8.7	-169.9	-122.6	-92.3	0	0	0	120	K102	K102-F104 PolarHBondContact O-N 3.34Å
105	E	32.5	Very low	35	Very low	182 Å²	182	124.6 Å²	124.6	85%	0.85	62%	0.618	S	S	*	*			trans	-140.8	36.3	179.1	-67.6	-170.7	145.5	0	0	115.5
106	Y	42	Very low	34.4	Very low	108 Å²	108	130.9 Å²	130.9	42%	0.424	65%	0.65	S	S	.	*			trans	-99.2	92.5	168.1	-69.4	-89.8	0	0	0	110.4	F99 Y108	F99-Y106 AromaticContact CD2-CD2 3.95Å; F99-Y106 HydrophobicContact CD2-CD2 3.95Å; F99-Y106 AromaticContact CD2-CE2 3.54Å; F99-Y106 HydrophobicContact CD2-CE2 3.54Å; F99-Y106 AromaticContact CD2-CZ 3.95Å; F99-Y106 HydrophobicContact CE2-CD1 4.07Å; F99-Y106 AromaticContact CE2-CD2 3.1Å; F99-Y106 HydrophobicContact CE2-CD2 3.1Å; F99-Y106 HydrophobicContact CE2-CE1 4.11Å; F99-Y106 AromaticContact CE2-CE2 3.16Å; F99-Y106 HydrophobicContact CE2-CE2 3.16Å; F99-Y106 AromaticContact CE2-CG 3.57Å; F99-Y106 HydrophobicContact CE2-CG 3.57Å; F99-Y106 AromaticContact CE2-CZ 3.68Å; F99-Y106 AromaticContact CZ-CD2 3.51Å; F99-Y106 HydrophobicContact CZ-CD2 3.51Å; F99-Y106 HydrophobicContact CZ-CE2 4Å; F99-Y106 AromaticContact CZ-CG 3.93Å; F99-Y106 HydrophobicContact CZ-CG 3.93Å; Y106-Y108 PolarHBondContact O-N 2.7Å
107	Q	38.2	Very low	34.1	Very low	181 Å²	181	137.3 Å²	137.3	85%	0.846	67%	0.666	S	S	*	*			trans	-75.8	101.1	164.4	-96.5	179.9	-34.6	0	0	109	I109	Q107-I109 PolarHBondContact O-N 3.23Å
108	Y	42	Very low	34	Very low	182 Å²	182	141.9 Å²	141.9	71%	0.714	69%	0.692	S	S	*	*			trans	-63.3	111.7	167.1	-80.9	-97.5	0	0	0	109.1	Y106	Y106-Y108 PolarHBondContact O-N 2.7Å
109	I	45.4	Very low	33.7	Very low	78 Å²	78	144.2 Å²	144.2	40%	0.4	70%	0.702	S	S	.	*			trans	-94.7	106	168.9	-49.3	177.1	0	0	0	106.1	F35 Q107	F35-I109 HydrophobicContact CD1-CD1 4.41Å; F35-I109 HydrophobicContact CE1-CD1 4.45Å; F35-I109 HydrophobicContact CE1-CG2 3.95Å; F35-I109 HydrophobicContact CZ-CG2 3.87Å; Q107-I109 PolarHBondContact O-N 3.23Å
110	G	35.9	Very low	33.8	Very low	49 Å²	49	149.5 Å²	149.5	51%	0.505	73%	0.729	S	S	.	*			trans	-59.3	171.7	-167	0	0	0	0	0	115.9	V112	G110-V112 PolarHBondContact O-N 2.81Å
111	P	34.6	Very low	33.9	Very low	96 Å²	96	148.1 Å²	148.1	62%	0.623	72%	0.724	S	S	*	*			trans	-64.9	123.1	-179.3	26.4	-32.7	0	0	0	111.1	S113	P111-S113 PolarHBondContact O-N 3.38Å
112	V	34.1	Very low	33.9	Very low	83 Å²	83	143.1 Å²	143.1	50%	0.503	71%	0.714	S	S	.	*			trans	-77.1	100.5	167.6	-177	0	0	0	0	107.2	G110 Y114	G110-V112 PolarHBondContact O-N 2.81Å; V112-Y114 PolarHBondContact O-N 3.08Å
113	S	30.2	Very low	34.1	Very low	108 Å²	108	141.2 Å²	141.2	76%	0.755	71%	0.712	S	S	*	*			trans	-61.7	104.8	170	-55.2	0	0	0	0	108.8	P111 G115	P111-S113 PolarHBondContact O-N 3.38Å; S113-G115 PolarHBondContact O-N 3.18Å
114	Y	31.6	Very low	34.2	Very low	170 Å²	170	141.3 Å²	141.3	67%	0.667	72%	0.719	S	S	*	*			trans	-66.9	100.4	163.9	-72.5	-88.1	0	0	0	106.9	R82 V112 L116	R82-Y114 PolarHBondContact NH2-OH 2.98Å; V112-Y114 PolarHBondContact O-N 3.08Å; Y114-L116 PolarHBondContact O-N 3.46Å
115	G	26.1	Very low	34.4	Very low	60 Å²	60	137.6 Å²	137.6	62%	0.619	71%	0.71	S	S	*	*			trans	-57.8	119.6	167.1	0	0	0	0	0	108.4	S113 Y117	S113-G115 PolarHBondContact O-N 3.18Å; G115-Y117 PolarHBondContact O-N 3.37Å; G115-Y117 VanDerWaalsContact O-N 3.15Å
116	L	26.6	Very low	34.5	Very low	171 Å²	171	134.2 Å²	134.2	90%	0.895	70%	0.699	S	S	*	*			trans	-56.3	114.5	160.1	-83.6	104.9	0	0	0	106.9	Y114	Y114-L116 PolarHBondContact O-N 3.46Å
117	Y	30.9	Very low	33.9	Very low	222 Å²	222	136.3 Å²	136.3	87%	0.871	72%	0.722	S	S	*	*			trans	-79.4	133.7	153.4	-82.5	-91.4	0	0	0	106.7	G115	G115-Y117 PolarHBondContact O-N 3.37Å; G115-Y117 VanDerWaalsContact O-N 3.15Å
118	D	31.4	Very low	33.5	Very low	236 Å²	236	132.3 Å²	132.3	100%	1.262	71%	0.71	S	S	*	*			trans	-46.1	0	-172.5	-60	-68.3	0	0	0	116.3

Retrieved 118 of 118 residues in 179.5 ms (Link to these results)

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