X5J4D8_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4D8, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 110 aa.

						>X5J4D8_MOUSE|X5J4D8
LVQPSQSLSITCTVSGFSLTSYGVHWVRQSPGKGLEWLGVIWSGGSTDYNAAFISRLSISKDNSKSQVFFKMNSLQADDTAIYYCARKRYSNYEKDAMDYWGQGTSVTVS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	L	77.8	Confident	91.9	Very high	153 Å²	153	69.7 Å²	69.7	80%	0.801	41%	0.409	S	S	*	.				0	125.2	0	-161.7	64.2	0	0	0	107.7	T108 S110	L1-T108 WeakPolarHBondContact CA-O 3.39Å; L1-T108 HydrophobicContact CD1-CG2 3.89Å; L1-S110 WeakPolarHBondContact CD1-OG 3.44Å
2	V	87.4	Confident	92.3	Very high	24 Å²	24	64.9 Å²	64.9	15%	0.145	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-128.4	141.5	-180	-168.2	0	0	0	0	108	Q6 L75 V107 T108 V109 S110	V2-Q6 HydrophobicContact CG1-CB 3.76Å; V2-L75 HydrophobicContact CB-CD1 3.85Å; V2-L75 HydrophobicContact CG1-CD1 3.36Å; V2-L75 HydrophobicContact CG2-CD1 4.44Å; V2-V107 HydrophobicContact CG2-CG1 4.36Å; V2-T108 PolarHBondContact N-O 3.35Å; V2-V109 VanDerWaalsContact O-CA 3.29Å; V2-V109 WeakPolarHBondContact O-CA 3.4Å; V2-S110 PolarHBondContact O-N 2.94Å
3	Q	89.4	Confident	92.7	Very high	91 Å²	91	67.1 Å²	67.1	43%	0.425	40%	0.396	S	S	.	.			trans	-81.9	153.4	179.8	-65	-64.7	-55.6	0	0	110.8	Q6 S110	Q3-Q6 HydrophobicContact CB-CG 4.02Å; Q3-Q6 VanDerWaalsContact O-CB 3.31Å; Q3-Q6 WeakPolarHBondContact O-CB 3.48Å; Q3-Q6 PolarHBondContact O-N 3.37Å; Q3-S110 PolarHBondContact NE2-O 3.38Å; Q3-S110 PolarHBondContact OE1-O 3.31Å
4	P	91.6	Very high	92.7	Very high	61 Å²	61	63 Å²	63	40%	0.396	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	151.2	169.7	-25.5	34.5	0	0	0	112.1	Q6 L75 V109	P4-Q6 PolarHBondContact O-N 3.27Å; P4-L75 WeakPolarHBondContact CA-O 3.41Å; P4-V109 HydrophobicContact CG-CG1 4.23Å
5	S	91.7	Very high	92.6	Very high	99 Å²	99	64.2 Å²	64.2	69%	0.692	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	-8.6	-176.8	-53.2	0	0	0	0	115.9	L75	S5-L75 PolarHBondContact N-O 2.85Å
6	Q	93.3	Very high	92.4	Very high	98 Å²	98	65.3 Å²	65.3	46%	0.458	41%	0.414	S	S	.	.			trans	-73.4	170.1	171.6	-66.4	-173.5	-24.9	0	0	111.6	V2 Q3 P4 S74 L75	V2-Q6 HydrophobicContact CG1-CB 3.76Å; Q3-Q6 HydrophobicContact CB-CG 4.02Å; Q3-Q6 VanDerWaalsContact O-CB 3.31Å; Q3-Q6 WeakPolarHBondContact O-CB 3.48Å; Q3-Q6 PolarHBondContact O-N 3.37Å; P4-Q6 PolarHBondContact O-N 3.27Å; Q6-S74 PolarHBondContact O-N 3.14Å; Q6-L75 WeakPolarHBondContact O-CG 3.48Å; Q6-L75 PolarHBondContact O-N 2.84Å
7	S	94.4	Very high	92.2	Very high	66 Å²	66	63.1 Å²	63.1	46%	0.462	40%	0.397	S	S	.	.			trans	-104.3	142.3	174.4	-56.4	0	0	0	0	110.6	M72 N73	S7-M72 CarbonylContact C-O 3.6Å; S7-M72 VanDerWaalsContact CA-O 3.28Å; S7-M72 WeakPolarHBondContact CA-O 3.43Å; S7-N73 PolarHBondContact OG-OD1 2.94Å
8	L	94.3	Very high	92.2	Very high	18 Å²	18	62.6 Å²	62.6	9%	0.094	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	138.2	172.7	170.7	69.2	0	0	0	109.2	I10 F70 K71 M72 L75 Y83 V107	L8-I10 HydrophobicContact CD1-CG1 3.97Å; L8-I10 HydrophobicContact CD2-CD1 3.99Å; L8-I10 HydrophobicContact CD2-CG1 4.13Å; L8-I10 HydrophobicContact CG-CD1 4.34Å; L8-I10 HydrophobicContact CG-CG1 3.92Å; L8-F70 HydrophobicContact CD2-CE1 4.46Å; L8-K71 CarbonylContact O-C 3.48Å; L8-K71 VanDerWaalsContact O-CA 3.26Å; L8-K71 WeakPolarHBondContact O-CA 3.48Å; L8-M72 PolarHBondContact N-O 3Å; L8-M72 PolarHBondContact O-N 3.14Å; L8-L75 HydrophobicContact CB-CD1 3.74Å; L8-L75 HydrophobicContact CB-CD2 4.18Å; L8-L75 HydrophobicContact CB-CG 4.27Å; L8-L75 HydrophobicContact CD2-CD2 4.39Å; L8-Y83 HydrophobicContact CD2-CE2 4.47Å; L8-V107 HydrophobicContact CD1-CG1 4.29Å; L8-V107 HydrophobicContact CD1-CG2 3.99Å; L8-V107 HydrophobicContact CD2-CB 4.48Å; L8-V107 HydrophobicContact CD2-CG1 4.02Å; L8-V107 HydrophobicContact CD2-CG2 3.96Å
9	S	95.9	Very high	92.3	Very high	81 Å²	81	59.4 Å²	59.4	57%	0.566	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.8	125.4	167.7	-170.6	0	0	0	0	109.1	F70	S9-F70 CarbonylContact C-O 3.59Å; S9-F70 VanDerWaalsContact CA-O 3.31Å; S9-F70 WeakPolarHBondContact CA-O 3.37Å
10	I	97.3	Very high	92.3	Very high	10 Å²	10	60.5 Å²	60.5	5%	0.051	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	133.2	175.4	-50.7	-179.9	0	0	0	108.2	L8 W26 F69 F70 Y83 T105 V107	L8-I10 HydrophobicContact CD1-CG1 3.97Å; L8-I10 HydrophobicContact CD2-CD1 3.99Å; L8-I10 HydrophobicContact CD2-CG1 4.13Å; L8-I10 HydrophobicContact CG-CD1 4.34Å; L8-I10 HydrophobicContact CG-CG1 3.92Å; I10-W26 HydrophobicContact CB-CH2 3.96Å; I10-W26 HydrophobicContact CB-CZ3 4.01Å; I10-W26 HydrophobicContact CG2-CH2 3.73Å; I10-W26 HydrophobicContact CG2-CZ3 3.76Å; I10-F69 WeakPolarHBondContact O-CA 3.4Å; I10-F70 HydrophobicContact CB-CD1 4.45Å; I10-F70 HydrophobicContact CD1-CD1 4.19Å; I10-F70 HydrophobicContact CG1-CD1 4.27Å; I10-F70 PolarHBondContact N-O 3.02Å; I10-F70 PolarHBondContact O-N 3.48Å; I10-Y83 VanDerWaalsContact CD1-CB 3.42Å; I10-Y83 HydrophobicContact CD1-CD1 4.12Å; I10-Y83 HydrophobicContact CD1-CD2 4.17Å; I10-Y83 HydrophobicContact CD1-CG 3.65Å; I10-T105 HydrophobicContact CD1-CG2 4.46Å; I10-T105 HydrophobicContact CG2-CG2 4.5Å; I10-V107 HydrophobicContact CD1-CG2 4.31Å
11	T	97.9	Very high	92.2	Very high	66 Å²	66	60.8 Å²	60.8	41%	0.405	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	127.5	173.3	-56.2	0	0	0	0	109.3	Q67 F69	T11-Q67 HydrophobicContact CG2-CB 4.1Å; T11-Q67 HydrophobicContact CG2-CG 3.83Å; T11-F69 HydrophobicContact CG2-CD1 3.99Å; T11-F69 HydrophobicContact CG2-CE1 3.7Å; T11-F69 WeakPolarHBondContact OG1-CD1 3.42Å
12	C	96.9	Very high	92.8	Very high	12 Å²	12	56 Å²	56	8%	0.081	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	109.6	167.8	177.2	0	0	0	0	108.8	W26 Q67 V68 C85	C12-W26 HydrophobicContact CB-CH2 3.71Å; C12-W26 HydrophobicContact CB-CZ2 3.77Å; C12-Q67 WeakPolarHBondContact O-CA 3.48Å; C12-V68 HydrophobicContact CB-CB 4.48Å; C12-V68 PolarHBondContact N-O 3.24Å; C12-V68 PolarHBondContact O-N 2.96Å; C12-C85 HydrophobicContact CB-CB 3.48Å; C12-C85 VanDerWaalsContact CB-CB 3.48Å; C12-C85 WeakPolarHBondContact CB-SG 3.47Å; C12-C85 WeakPolarHBondContact SG-CB 3.19Å; C12-C85 CovalentContact SG-SG 2.03Å; C12-C85 PolarHBondContact SG-SG 3.2Å
13	T	96.6	Very high	93.1	Very high	93 Å²	93	54.9 Å²	54.9	57%	0.571	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	121.6	170.8	-54.5	0	0	0	0	108.4	S66 Q67	T13-S66 WeakPolarHBondContact CA-O 3.41Å; T13-Q67 HydrophobicContact CG2-CG 4.38Å; T13-Q67 PolarHBondContact OG1-NE2 2.87Å
14	V	92.9	Very high	93.4	Very high	10 Å²	10	50.7 Å²	50.7	6%	0.061	33%	0.331	C	S	.	.			trans	-96.6	145	-179	-55.2	0	0	0	0	111	F17 L19 V24 S66	V14-F17 HydrophobicContact CB-CD1 4.42Å; V14-F17 HydrophobicContact CB-CE1 3.69Å; V14-F17 HydrophobicContact CB-CE2 4.02Å; V14-F17 HydrophobicContact CB-CZ 3.48Å; V14-F17 VanDerWaalsContact CB-CZ 3.48Å; V14-F17 HydrophobicContact CG1-CE1 4.03Å; V14-F17 HydrophobicContact CG1-CE2 4.05Å; V14-F17 HydrophobicContact CG1-CZ 3.41Å; V14-F17 VanDerWaalsContact CG1-CZ 3.41Å; V14-F17 HydrophobicContact CG2-CE1 4.44Å; V14-F17 HydrophobicContact CG2-CE2 4.06Å; V14-F17 HydrophobicContact CG2-CZ 4.04Å; V14-L19 HydrophobicContact CB-CD2 4.49Å; V14-L19 HydrophobicContact CG1-CD2 4.08Å; V14-L19 HydrophobicContact CG2-CD1 4.2Å; V14-L19 HydrophobicContact CG2-CD2 3.64Å; V14-L19 HydrophobicContact CG2-CG 3.71Å; V14-V24 HydrophobicContact CG1-CG2 4.35Å; V14-S66 WeakPolarHBondContact CG2-O 3.4Å; V14-S66 PolarHBondContact N-O 3.26Å
15	S	91.4	Very high	93.6	Very high	81 Å²	81	48.2 Å²	48.2	57%	0.566	31%	0.314	S	S	*	.			trans	-137.1	152.3	173.5	60.8	0	0	0	0	109.4	F17	S15-F17 VanDerWaalsContact C-N 3.3Å; S15-F17 WeakPolarHBondContact O-CD1 3.2Å; S15-F17 PolarHBondContact O-N 2.99Å
16	G	89	Confident	93.9	Very high	82 Å²	82	43.6 Å²	43.6	85%	0.845	28%	0.282	S	S	*	.	S	Bend	trans	78.7	3	179.9	0	0	0	0	0	115.8
17	F	88.9	Confident	94.1	Very high	28 Å²	28	39.1 Å²	39.1	12%	0.123	26%	0.261	C	S	.	.	S	Bend	trans	-155.5	162.7	170.3	67.1	-86.2	0	0	0	112	V14 S15 L19 Y22 V24 R87 Y100	V14-F17 HydrophobicContact CB-CD1 4.42Å; V14-F17 HydrophobicContact CB-CE1 3.69Å; V14-F17 HydrophobicContact CB-CE2 4.02Å; V14-F17 HydrophobicContact CB-CZ 3.48Å; V14-F17 VanDerWaalsContact CB-CZ 3.48Å; V14-F17 HydrophobicContact CG1-CE1 4.03Å; V14-F17 HydrophobicContact CG1-CE2 4.05Å; V14-F17 HydrophobicContact CG1-CZ 3.41Å; V14-F17 VanDerWaalsContact CG1-CZ 3.41Å; V14-F17 HydrophobicContact CG2-CE1 4.44Å; V14-F17 HydrophobicContact CG2-CE2 4.06Å; V14-F17 HydrophobicContact CG2-CZ 4.04Å; S15-F17 VanDerWaalsContact C-N 3.3Å; S15-F17 WeakPolarHBondContact O-CD1 3.2Å; S15-F17 PolarHBondContact O-N 2.99Å; F17-L19 HydrophobicContact CE2-CD2 4Å; F17-Y22 HydrophobicContact CB-CD2 3.81Å; F17-Y22 HydrophobicContact CB-CE2 3.95Å; F17-Y22 HydrophobicContact CB-CG 4.4Å; F17-Y22 AromaticContact CD2-CD2 3.87Å; F17-Y22 HydrophobicContact CD2-CD2 3.87Å; F17-Y22 AromaticContact CD2-CG 3.9Å; F17-Y22 HydrophobicContact CD2-CG 3.9Å; F17-Y22 HydrophobicContact CG-CD2 4.26Å; F17-Y22 HydrophobicContact CG-CG 4.46Å; F17-V24 HydrophobicContact CE2-CG2 4.08Å; F17-V24 HydrophobicContact CZ-CG2 4.18Å; F17-R87 HydrophobicContact CD1-CG 4.34Å; F17-R87 HydrophobicContact CD2-CG 4.16Å; F17-R87 HydrophobicContact CE1-CB 4.08Å; F17-R87 HydrophobicContact CE1-CG 4.07Å; F17-R87 HydrophobicContact CE2-CB 4.43Å; F17-R87 HydrophobicContact CE2-CG 3.89Å; F17-R87 HydrophobicContact CG-CG 4.35Å; F17-R87 HydrophobicContact CZ-CB 3.89Å; F17-R87 HydrophobicContact CZ-CG 3.82Å; F17-Y100 HydrophobicContact CE1-CD1 4.34Å
18	S	91.9	Very high	94.2	Very high	53 Å²	53	36.6 Å²	36.6	37%	0.371	24%	0.241	S	C	.	.			trans	-97.4	134.1	177.1	-179.8	0	0	0	0	112.5	T20 S21 Y22	S18-T20 PolarHBondContact O-N 3.2Å; S18-T20 VanDerWaalsContact O-N 3.16Å; S18-T20 PolarHBondContact OG-N 3.46Å; S18-T20 PolarHBondContact OG-OG1 3.26Å; S18-S21 PolarHBondContact O-N 3.02Å; S18-Y22 WeakPolarHBondContact O-CD2 3.32Å; S18-Y22 PolarHBondContact O-N 3.11Å
19	L	94.1	Very high	94.4	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.016	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-10.4	173.1	-65.3	-179.5	0	0	0	114	V14 F17 S21 V24 K61 N63 Q67 V68	V14-L19 HydrophobicContact CB-CD2 4.49Å; V14-L19 HydrophobicContact CG1-CD2 4.08Å; V14-L19 HydrophobicContact CG2-CD1 4.2Å; V14-L19 HydrophobicContact CG2-CD2 3.64Å; V14-L19 HydrophobicContact CG2-CG 3.71Å; F17-L19 HydrophobicContact CE2-CD2 4Å; L19-S21 VanDerWaalsContact C-N 3.33Å; L19-V24 HydrophobicContact CD2-CG2 3.65Å; L19-K61 HydrophobicContact CB-CD 4.43Å; L19-K61 HydrophobicContact CD1-CB 4.37Å; L19-K61 PolarHBondContact O-NZ 2.93Å; L19-N63 VanDerWaalsContact CB-OD1 3.26Å; L19-N63 WeakPolarHBondContact CB-OD1 3.32Å; L19-Q67 WeakPolarHBondContact CD1-O 3.46Å; L19-V68 HydrophobicContact CD1-CG2 3.85Å; L19-V68 HydrophobicContact CD2-CG2 3.62Å; L19-V68 HydrophobicContact CG-CG2 4.42Å
20	T	93	Very high	94.4	Very high	81 Å²	81	35.8 Å²	35.8	50%	0.497	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-11.8	171.7	59.8	0	0	0	0	113.1	S18 S43 N63	S18-T20 PolarHBondContact O-N 3.2Å; S18-T20 VanDerWaalsContact O-N 3.16Å; S18-T20 PolarHBondContact OG-N 3.46Å; S18-T20 PolarHBondContact OG-OG1 3.26Å; T20-S43 WeakPolarHBondContact O-CB 3.38Å; T20-N63 HydrophobicContact CG2-CB 4.41Å
21	S	90.5	Very high	94.3	Very high	66 Å²	66	40.2 Å²	40.2	46%	0.462	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-18.3	-177.1	-52.4	0	0	0	0	113.3	S18 L19	S18-S21 PolarHBondContact O-N 3.02Å; L19-S21 VanDerWaalsContact C-N 3.33Å
22	Y	90.8	Very high	94.2	Very high	52 Å²	52	41.5 Å²	41.5	20%	0.204	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	150.2	-175.4	-63	-96.9	0	0	0	111.8	F17 S18 R87 R89	F17-Y22 HydrophobicContact CB-CD2 3.81Å; F17-Y22 HydrophobicContact CB-CE2 3.95Å; F17-Y22 HydrophobicContact CB-CG 4.4Å; F17-Y22 AromaticContact CD2-CD2 3.87Å; F17-Y22 HydrophobicContact CD2-CD2 3.87Å; F17-Y22 AromaticContact CD2-CG 3.9Å; F17-Y22 HydrophobicContact CD2-CG 3.9Å; F17-Y22 HydrophobicContact CG-CD2 4.26Å; F17-Y22 HydrophobicContact CG-CG 4.46Å; S18-Y22 WeakPolarHBondContact O-CD2 3.32Å; S18-Y22 PolarHBondContact O-N 3.11Å; Y22-R87 HydrophobicContact CD1-CG 3.82Å; Y22-R87 HydrophobicContact CG-CG 4.13Å; Y22-R89 HydrophobicContact CD1-CB 3.78Å; Y22-R89 HydrophobicContact CD1-CG 4.13Å; Y22-R89 HydrophobicContact CE1-CB 3.57Å; Y22-R89 HydrophobicContact CE1-CG 3.62Å
23	G	93	Very high	94.1	Very high	2 Å²	2	46.4 Å²	46.4	2%	0.021	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	155.5	167	0	0	0	0	0	111.2	I41 K88	G23-I41 CarbonylContact C-O 3.55Å; G23-I41 WeakPolarHBondContact CA-O 3.49Å; G23-K88 PolarHBondContact N-O 2.8Å; G23-K88 PolarHBondContact O-N 2.88Å
24	V	95.9	Very high	94	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.012	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	118.7	174.8	180	0	0	0	0	109.1	V14 F17 L19 V40 I41 V68 C85 A86	V14-V24 HydrophobicContact CG1-CG2 4.35Å; F17-V24 HydrophobicContact CE2-CG2 4.08Å; F17-V24 HydrophobicContact CZ-CG2 4.18Å; L19-V24 HydrophobicContact CD2-CG2 3.65Å; V24-V40 WeakPolarHBondContact O-CA 3.48Å; V24-I41 HydrophobicContact CB-CG2 4.49Å; V24-I41 PolarHBondContact N-O 3.44Å; V24-I41 PolarHBondContact O-N 2.93Å; V24-V68 HydrophobicContact CB-CB 4.47Å; V24-V68 HydrophobicContact CB-CG1 4.29Å; V24-V68 HydrophobicContact CB-CG2 3.91Å; V24-V68 HydrophobicContact CG1-CB 4.28Å; V24-V68 HydrophobicContact CG1-CG1 4.2Å; V24-V68 HydrophobicContact CG1-CG2 4.16Å; V24-V68 HydrophobicContact CG2-CG2 3.82Å; V24-C85 HydrophobicContact CG1-CB 3.93Å; V24-A86 CarbonylContact C-O 3.57Å; V24-A86 WeakPolarHBondContact CA-O 3.41Å
25	H	96.1	Very high	94.2	Very high	9 Å²	9	48.7 Å²	48.7	4%	0.042	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	149.6	176.7	-66	-101.2	0	0	0	110.4	W37 G39 V40 W42 C85 A86 K88 M98	H25-W37 AromaticContact CG-NE1 3.92Å; H25-W37 AromaticContact ND1-CD1 3.85Å; H25-W37 AromaticContact ND1-CE2 3.98Å; H25-W37 AromaticContact ND1-NE1 3.11Å; H25-W37 PolarHBondContact ND1-NE1 3.49Å; H25-W37 VanDerWaalsContact ND1-NE1 3.11Å; H25-G39 CarbonylContact C-O 3.54Å; H25-G39 WeakPolarHBondContact CA-O 3.31Å; H25-V40 VanDerWaalsContact CE1-CG2 3.45Å; H25-V40 WeakPolarHBondContact CE1-CG2 3.31Å; H25-W42 AromaticContact CE1-CH2 3.96Å; H25-C85 CarbonylContact O-C 3.58Å; H25-C85 VanDerWaalsContact O-CA 3.26Å; H25-C85 WeakPolarHBondContact O-CA 3.31Å; H25-A86 PolarHBondContact N-O 3.02Å; H25-A86 PolarHBondContact O-N 3.16Å; H25-K88 VanDerWaalsContact CD2-CB 3.48Å; H25-K88 WeakPolarHBondContact CD2-CB 3.4Å; H25-K88 VanDerWaalsContact NE2-CB 3.29Å; H25-K88 WeakPolarHBondContact NE2-CB 3.45Å; H25-K88 WeakPolarHBondContact NE2-CD 3.26Å; H25-M98 HydrophobicContact CB-CE 3.7Å; H25-M98 HydrophobicContact CB-SD 4.02Å; H25-M98 VanDerWaalsContact CG-CE 3.42Å; H25-M98 WeakPolarHBondContact ND1-CE 3.45Å
26	W	97.4	Very high	94.4	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.008	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	131.9	167.5	-71.1	92.3	0	0	0	109.5	I10 C12 L38 G39 V68 F70 Y84 C85	I10-W26 HydrophobicContact CB-CH2 3.96Å; I10-W26 HydrophobicContact CB-CZ3 4.01Å; I10-W26 HydrophobicContact CG2-CH2 3.73Å; I10-W26 HydrophobicContact CG2-CZ3 3.76Å; C12-W26 HydrophobicContact CB-CH2 3.71Å; C12-W26 HydrophobicContact CB-CZ2 3.77Å; W26-L38 HydrophobicContact CB-CB 4.26Å; W26-L38 WeakPolarHBondContact O-CB 3.32Å; W26-L38 PolarHBondContact O-N 2.67Å; W26-G39 PolarHBondContact N-O 2.82Å; W26-G39 PolarHBondContact O-N 2.83Å; W26-V68 HydrophobicContact CZ2-CG1 4.23Å; W26-F70 HydrophobicContact CB-CD2 3.94Å; W26-F70 HydrophobicContact CB-CE2 4.26Å; W26-F70 HydrophobicContact CD2-CB 3.49Å; W26-F70 VanDerWaalsContact CD2-CB 3.49Å; W26-F70 AromaticContact CD2-CD2 3.94Å; W26-F70 HydrophobicContact CD2-CD2 3.94Å; W26-F70 AromaticContact CD2-CG 3.88Å; W26-F70 HydrophobicContact CD2-CG 3.88Å; W26-F70 HydrophobicContact CE3-CB 3.83Å; W26-F70 HydrophobicContact CE3-CD2 4.39Å; W26-F70 HydrophobicContact CE3-CG 4.05Å; W26-F70 HydrophobicContact CG-CB 4.05Å; W26-F70 AromaticContact CG-CD2 3.7Å; W26-F70 HydrophobicContact CG-CD2 3.7Å; W26-F70 HydrophobicContact CG-CE2 4.49Å; W26-F70 HydrophobicContact CG-CG 4.16Å; W26-F70 HydrophobicContact CH2-CB 3.78Å; W26-F70 HydrophobicContact CZ2-CB 3.47Å; W26-F70 VanDerWaalsContact CZ2-CB 3.47Å; W26-F70 HydrophobicContact CZ3-CB 3.97Å; W26-F70 HydrophobicContact CZ3-CG 4.48Å; W26-Y84 WeakPolarHBondContact CA-O 3.47Å; W26-C85 HydrophobicContact CD2-CB 4.42Å; W26-C85 HydrophobicContact CE3-CB 4.29Å; W26-C85 HydrophobicContact CH2-CB 4.18Å; W26-C85 HydrophobicContact CZ2-CB 4.27Å; W26-C85 HydrophobicContact CZ3-CB 4.17Å
27	V	97.2	Very high	94.7	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.024	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	144	-177.4	-179	0	0	0	0	107.4	L35 E36 Y83 Y84 M98 W101	V27-L35 HydrophobicContact CG1-CB 3.84Å; V27-L35 HydrophobicContact CG1-CD2 4Å; V27-L35 HydrophobicContact CG1-CG 4.4Å; V27-E36 CarbonylContact C-O 3.47Å; V27-E36 WeakPolarHBondContact CA-O 3.46Å; V27-E36 WeakPolarHBondContact CG1-O 3.39Å; V27-Y83 CarbonylContact O-C 3.55Å; V27-Y84 PolarHBondContact N-O 3.2Å; V27-Y84 PolarHBondContact O-N 3.37Å; V27-M98 HydrophobicContact CG2-CE 4.49Å; V27-M98 HydrophobicContact CG2-SD 4.09Å; V27-W101 HydrophobicContact CB-CH2 4.06Å; V27-W101 HydrophobicContact CB-CZ3 3.81Å; V27-W101 HydrophobicContact CG1-CH2 3.98Å; V27-W101 HydrophobicContact CG1-CZ3 3.92Å; V27-W101 HydrophobicContact CG2-CH2 3.81Å; V27-W101 HydrophobicContact CG2-CZ3 3.99Å
28	R	97	Very high	95.1	Very high	13 Å²	13	46 Å²	46	5%	0.049	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	157.5	171.2	70.1	175.9	-171.7	174.6	14.7	112.1	E36 L38 F53 D79 A81 I82 Y83	R28-E36 HydrophobicContact CG-CB 4Å; R28-E36 IonicContact CZ-OE2 3.86Å; R28-E36 PolarHBondContact N-O 2.86Å; R28-E36 IonicContact NE-OE2 2.93Å; R28-E36 PolarHBondContact NE-OE2 2.99Å; R28-E36 IonicContact NH2-OE2 3.83Å; R28-E36 PolarHBondContact NH2-OE2 2.95Å; R28-E36 PolarHBondContact O-N 2.85Å; R28-L38 HydrophobicContact CB-CD1 3.97Å; R28-L38 HydrophobicContact CB-CG 4.45Å; R28-L38 HydrophobicContact CG-CD1 4.07Å; R28-L38 HydrophobicContact CG-CD2 3.98Å; R28-L38 HydrophobicContact CG-CG 4.13Å; R28-F53 VanDerWaalsContact CZ-CZ 3.46Å; R28-F53 VanDerWaalsContact NH2-CE1 3.31Å; R28-D79 IonicContact NH1-OD1 3.43Å; R28-D79 PolarHBondContact NH1-OD1 2.95Å; R28-A81 HydrophobicContact CB-CB 3.95Å; R28-A81 HydrophobicContact CG-CB 4.38Å; R28-I82 CarbonylContact C-O 3.48Å; R28-I82 WeakPolarHBondContact CA-O 3.31Å; R28-Y83 HydrophobicContact CB-CD1 3.98Å; R28-Y83 HydrophobicContact CB-CE1 3.99Å; R28-Y83 HydrophobicContact CB-CG 4.35Å
29	Q	97.9	Very high	95.3	Very high	73 Å²	73	43.5 Å²	43.5	34%	0.341	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	108.3	171	-166.3	176.4	20.9	0	0	109.7	K33 L35 A81 I82 Y84	Q29-K33 WeakPolarHBondContact CG-O 3.47Å; Q29-K33 PolarHBondContact NE2-O 2.85Å; Q29-L35 HydrophobicContact CB-CD2 4.04Å; Q29-L35 HydrophobicContact CG-CD2 4.35Å; Q29-A81 VanDerWaalsContact O-CA 3.32Å; Q29-A81 WeakPolarHBondContact O-CA 3.4Å; Q29-A81 VanDerWaalsContact O-CB 3.32Å; Q29-A81 WeakPolarHBondContact O-CB 3Å; Q29-I82 PolarHBondContact N-O 3.09Å; Q29-I82 PolarHBondContact O-N 3.19Å; Q29-Y84 HydrophobicContact CB-CE2 3.92Å
30	S	96.7	Very high	95.4	Very high	9 Å²	9	43.4 Å²	43.4	6%	0.063	26%	0.261	C	S	.	.			trans	-76.2	154.1	171.9	-61.2	0	0	0	0	110.7	G32 K33	S30-G32 PolarHBondContact O-N 3.11Å; S30-K33 PolarHBondContact O-N 2.94Å
31	P	95.5	Very high	95.5	Very high	103 Å²	103	40 Å²	40	67%	0.669	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	126.6	176.7	-26.2	34.9	0	0	0	112.1	K33 T80	P31-K33 PolarHBondContact O-N 2.88Å; P31-T80 WeakPolarHBondContact CD-O 3.21Å
32	G	95.4	Very high	95.8	Very high	93 Å²	93	39.4 Å²	39.4	96%	0.959	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	72	6.3	-180	0	0	0	0	0	115.7	S30	S30-G32 PolarHBondContact O-N 3.11Å
33	K	95.1	Very high	95.8	Very high	115 Å²	115	39 Å²	39	50%	0.5	23%	0.231	S	C	.	.			trans	-112.4	162.9	177.6	-61	-167.6	-176.8	174.6	0	112.2	Q29 S30 P31	Q29-K33 WeakPolarHBondContact CG-O 3.47Å; Q29-K33 PolarHBondContact NE2-O 2.85Å; S30-K33 PolarHBondContact O-N 2.94Å; P31-K33 PolarHBondContact O-N 2.88Å
34	G	95.2	Very high	95.8	Very high	53 Å²	53	42.4 Å²	42.4	55%	0.546	27%	0.267	S	S	.	.			trans	-72.5	-178.5	171	0	0	0	0	0	112.9
35	L	95.8	Very high	95.7	Very high	99 Å²	99	43.9 Å²	43.9	52%	0.518	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	127.4	174.8	-65.1	174.9	0	0	0	110.7	V27 Q29 Y84 W101	V27-L35 HydrophobicContact CG1-CB 3.84Å; V27-L35 HydrophobicContact CG1-CD2 4Å; V27-L35 HydrophobicContact CG1-CG 4.4Å; Q29-L35 HydrophobicContact CB-CD2 4.04Å; Q29-L35 HydrophobicContact CG-CD2 4.35Å; L35-Y84 HydrophobicContact CD2-CE2 4.43Å; L35-W101 HydrophobicContact CD1-CH2 3.89Å; L35-W101 HydrophobicContact CD1-CZ3 4.34Å
36	E	95.9	Very high	95.7	Very high	52 Å²	52	46.9 Å²	46.9	24%	0.243	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	118.8	176.1	-71.2	178.2	-167.9	0	0	109.9	V27 R28	V27-E36 CarbonylContact C-O 3.47Å; V27-E36 WeakPolarHBondContact CA-O 3.46Å; V27-E36 WeakPolarHBondContact CG1-O 3.39Å; R28-E36 HydrophobicContact CG-CB 4Å; R28-E36 IonicContact CZ-OE2 3.86Å; R28-E36 PolarHBondContact N-O 2.86Å; R28-E36 IonicContact NE-OE2 2.93Å; R28-E36 PolarHBondContact NE-OE2 2.99Å; R28-E36 IonicContact NH2-OE2 3.83Å; R28-E36 PolarHBondContact NH2-OE2 2.95Å; R28-E36 PolarHBondContact O-N 2.85Å
37	W	95.8	Very high	95.7	Very high	83 Å²	83	49.1 Å²	49.1	31%	0.314	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	133.2	174.7	-179.9	72.2	0	0	0	111.1	H25 G39 V40 D48 N50	H25-W37 AromaticContact CG-NE1 3.92Å; H25-W37 AromaticContact ND1-CD1 3.85Å; H25-W37 AromaticContact ND1-CE2 3.98Å; H25-W37 AromaticContact ND1-NE1 3.11Å; H25-W37 PolarHBondContact ND1-NE1 3.49Å; H25-W37 VanDerWaalsContact ND1-NE1 3.11Å; W37-G39 PolarHBondContact NE1-O 3.06Å; W37-V40 HydrophobicContact CZ2-CB 4.07Å; W37-V40 HydrophobicContact CZ2-CG1 3.9Å; W37-D48 HydrophobicContact CH2-CB 4.05Å; W37-N50 HydrophobicContact CE3-CB 3.93Å; W37-N50 HydrophobicContact CZ3-CB 4.04Å; W37-N50 VanDerWaalsContact O-CB 3.31Å; W37-N50 WeakPolarHBondContact O-CB 3.48Å; W37-N50 PolarHBondContact O-ND2 3.46Å
38	L	96.5	Very high	95.6	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-39.7	-176.7	-63.9	177.9	0	0	0	113	W26 R28 N50 F53 L57 F70 Y83	W26-L38 HydrophobicContact CB-CB 4.26Å; W26-L38 WeakPolarHBondContact O-CB 3.32Å; W26-L38 PolarHBondContact O-N 2.67Å; R28-L38 HydrophobicContact CB-CD1 3.97Å; R28-L38 HydrophobicContact CB-CG 4.45Å; R28-L38 HydrophobicContact CG-CD1 4.07Å; R28-L38 HydrophobicContact CG-CD2 3.98Å; R28-L38 HydrophobicContact CG-CG 4.13Å; L38-N50 PolarHBondContact O-N 3.29Å; L38-F53 HydrophobicContact CD2-CD1 4.31Å; L38-F53 HydrophobicContact CD2-CD2 3.79Å; L38-F53 HydrophobicContact CD2-CE1 4.41Å; L38-F53 HydrophobicContact CD2-CE2 3.88Å; L38-F53 HydrophobicContact CD2-CG 4.02Å; L38-F53 HydrophobicContact CD2-CZ 4.21Å; L38-L57 HydrophobicContact CB-CD1 4.05Å; L38-L57 WeakPolarHBondContact O-CD1 3.48Å; L38-F70 HydrophobicContact CB-CE2 4.3Å; L38-F70 HydrophobicContact CD1-CE2 3.84Å; L38-F70 HydrophobicContact CD1-CZ 3.7Å; L38-Y83 HydrophobicContact CD1-CD1 3.8Å; L38-Y83 HydrophobicContact CD1-CE1 3.69Å
39	G	96	Very high	95.5	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.4	179.7	-176.7	0	0	0	0	0	112.9	H25 W26 W37 D48	H25-G39 CarbonylContact C-O 3.54Å; H25-G39 WeakPolarHBondContact CA-O 3.31Å; W26-G39 PolarHBondContact N-O 2.82Å; W26-G39 PolarHBondContact O-N 2.83Å; W37-G39 PolarHBondContact NE1-O 3.06Å; G39-D48 CarbonylContact C-O 3.54Å; G39-D48 WeakPolarHBondContact CA-O 3.5Å
40	V	95.9	Very high	95.4	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.006	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	148.8	178.2	64.7	0	0	0	0	110	V24 H25 W37 W42 T47 D48	V24-V40 WeakPolarHBondContact O-CA 3.48Å; H25-V40 VanDerWaalsContact CE1-CG2 3.45Å; H25-V40 WeakPolarHBondContact CE1-CG2 3.31Å; W37-V40 HydrophobicContact CZ2-CB 4.07Å; W37-V40 HydrophobicContact CZ2-CG1 3.9Å; V40-W42 HydrophobicContact CG1-CD2 4.28Å; V40-W42 HydrophobicContact CG1-CH2 4.44Å; V40-W42 HydrophobicContact CG1-CZ2 3.68Å; V40-W42 HydrophobicContact CG2-CD2 4.11Å; V40-W42 HydrophobicContact CG2-CE3 4.17Å; V40-W42 HydrophobicContact CG2-CH2 4.32Å; V40-W42 HydrophobicContact CG2-CZ2 4.27Å; V40-W42 HydrophobicContact CG2-CZ3 4.27Å; V40-T47 VanDerWaalsContact O-CA 3.22Å; V40-T47 WeakPolarHBondContact O-CA 3.31Å; V40-D48 HydrophobicContact CG1-CB 3.86Å; V40-D48 PolarHBondContact N-O 2.91Å; V40-D48 PolarHBondContact O-N 3.17Å; V40-D48 VanDerWaalsContact O-N 3.12Å
41	I	96.7	Very high	95.2	Very high	8 Å²	8	57.1 Å²	57.1	4%	0.041	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	124.3	158.5	-171.5	162.1	0	0	0	109.3	G23 V24 S46 T47 I59 K61 V68	G23-I41 CarbonylContact C-O 3.55Å; G23-I41 WeakPolarHBondContact CA-O 3.49Å; V24-I41 HydrophobicContact CB-CG2 4.49Å; V24-I41 PolarHBondContact N-O 3.44Å; V24-I41 PolarHBondContact O-N 2.93Å; I41-S46 WeakPolarHBondContact CA-O 3.09Å; I41-T47 HydrophobicContact CB-CG2 3.95Å; I41-T47 HydrophobicContact CD1-CG2 4.03Å; I41-T47 HydrophobicContact CG1-CG2 3.84Å; I41-I59 HydrophobicContact CB-CG2 3.7Å; I41-I59 HydrophobicContact CG2-CG2 3.68Å; I41-K61 HydrophobicContact CD1-CB 4.04Å; I41-K61 HydrophobicContact CD1-CD 3.91Å; I41-K61 HydrophobicContact CD1-CG 3.72Å; I41-K61 HydrophobicContact CG1-CD 4.11Å; I41-K61 HydrophobicContact CG1-CG 4.46Å; I41-K61 HydrophobicContact CG2-CD 4.44Å; I41-V68 HydrophobicContact CG2-CG1 3.72Å; I41-V68 HydrophobicContact CG2-CG2 4.5Å
42	W	95.1	Very high	95	Very high	54 Å²	54	55.7 Å²	55.7	21%	0.205	37%	0.369	C	S	.	.			trans	-80.1	168.8	-178.4	-61.9	109	0	0	0	111.8	H25 V40 G44 G45 S46 D48 K61 K88	H25-W42 AromaticContact CE1-CH2 3.96Å; V40-W42 HydrophobicContact CG1-CD2 4.28Å; V40-W42 HydrophobicContact CG1-CH2 4.44Å; V40-W42 HydrophobicContact CG1-CZ2 3.68Å; V40-W42 HydrophobicContact CG2-CD2 4.11Å; V40-W42 HydrophobicContact CG2-CE3 4.17Å; V40-W42 HydrophobicContact CG2-CH2 4.32Å; V40-W42 HydrophobicContact CG2-CZ2 4.27Å; V40-W42 HydrophobicContact CG2-CZ3 4.27Å; W42-G44 PolarHBondContact O-N 2.93Å; W42-G45 PolarHBondContact O-N 3.21Å; W42-S46 VanDerWaalsContact CD1-OG 3.3Å; W42-S46 PolarHBondContact N-O 2.89Å; W42-D48 PolarHBondContact NE1-OD2 2.69Å; W42-K61 PolarHBondContact O-NZ 2.93Å; W42-K88 HydrophobicContact CZ3-CD 4.44Å
43	S	92.8	Very high	94.7	Very high	43 Å²	43	52.2 Å²	52.2	30%	0.301	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-37.3	176.2	53.8	0	0	0	0	112.4	T20 G45 K61	T20-S43 WeakPolarHBondContact O-CB 3.38Å; S43-G45 VanDerWaalsContact C-N 3.26Å; S43-G45 PolarHBondContact O-N 2.83Å; S43-K61 VanDerWaalsContact C-NZ 3.31Å; S43-K61 PolarHBondContact O-NZ 3.43Å
44	G	92.6	Very high	94.5	Very high	74 Å²	74	51.3 Å²	51.3	76%	0.763	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-7.3	174.2	0	0	0	0	0	115.2	W42	W42-G44 PolarHBondContact O-N 2.93Å
45	G	94.1	Very high	94.4	Very high	34 Å²	34	54.1 Å²	54.1	35%	0.351	34%	0.338	S	S	.	.	S	Bend	trans	90.1	-5	179.4	0	0	0	0	0	115.2	W42 S43	W42-G45 PolarHBondContact O-N 3.21Å; S43-G45 VanDerWaalsContact C-N 3.26Å; S43-G45 PolarHBondContact O-N 2.83Å
46	S	95.1	Very high	94.4	Very high	72 Å²	72	50.7 Å²	50.7	50%	0.503	32%	0.318	S	S	.	.			trans	-62.8	151	168.3	51.7	0	0	0	0	111	I41 W42	I41-S46 WeakPolarHBondContact CA-O 3.09Å; W42-S46 VanDerWaalsContact CD1-OG 3.3Å; W42-S46 PolarHBondContact N-O 2.89Å
47	T	96.5	Very high	94.4	Very high	49 Å²	49	48.9 Å²	48.9	30%	0.301	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	141.7	-178.7	54.3	0	0	0	0	110.8	V40 I41 Y49 I59	V40-T47 VanDerWaalsContact O-CA 3.22Å; V40-T47 WeakPolarHBondContact O-CA 3.31Å; I41-T47 HydrophobicContact CB-CG2 3.95Å; I41-T47 HydrophobicContact CD1-CG2 4.03Å; I41-T47 HydrophobicContact CG1-CG2 3.84Å; T47-Y49 VanDerWaalsContact OG1-CE2 3.32Å; T47-Y49 WeakPolarHBondContact OG1-CE2 3.47Å; T47-Y49 PolarHBondContact OG1-OH 3.07Å; T47-I59 HydrophobicContact CG2-CB 4.43Å
48	D	95.3	Very high	94.4	Very high	80 Å²	80	47.5 Å²	47.5	43%	0.428	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	146.6	166.7	-58.4	-57.3	0	0	0	108.9	W37 G39 V40 W42	W37-D48 HydrophobicContact CH2-CB 4.05Å; G39-D48 CarbonylContact C-O 3.54Å; G39-D48 WeakPolarHBondContact CA-O 3.5Å; V40-D48 HydrophobicContact CG1-CB 3.86Å; V40-D48 PolarHBondContact N-O 2.91Å; V40-D48 PolarHBondContact O-N 3.17Å; V40-D48 VanDerWaalsContact O-N 3.12Å; W42-D48 PolarHBondContact NE1-OD2 2.69Å
49	Y	96	Very high	94.5	Very high	54 Å²	54	47.9 Å²	47.9	21%	0.212	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	152.6	-178.1	-59.7	-83.7	0	0	0	110.6	T47 A51 I54 L57 I59	T47-Y49 VanDerWaalsContact OG1-CE2 3.32Å; T47-Y49 WeakPolarHBondContact OG1-CE2 3.47Å; T47-Y49 PolarHBondContact OG1-OH 3.07Å; Y49-A51 PolarHBondContact O-N 2.86Å; Y49-I54 HydrophobicContact CD2-CD1 4.27Å; Y49-I54 HydrophobicContact CD2-CG1 4.04Å; Y49-I54 HydrophobicContact CG-CG1 4.09Å; Y49-L57 HydrophobicContact CD1-CB 3.73Å; Y49-L57 HydrophobicContact CD1-CD1 4.21Å; Y49-L57 HydrophobicContact CE1-CB 3.9Å; Y49-I59 HydrophobicContact CD1-CD1 4.17Å; Y49-I59 HydrophobicContact CE1-CB 4.33Å; Y49-I59 HydrophobicContact CE1-CD1 3.77Å; Y49-I59 HydrophobicContact CE1-CG1 3.88Å; Y49-I59 PolarHBondContact OH-N 3.05Å; Y49-I59 VanDerWaalsContact OH-N 3.15Å
50	N	94.9	Very high	94.6	Very high	49 Å²	49	50.6 Å²	50.6	26%	0.262	33%	0.334	S	S	.	.			trans	-68.7	127.7	164.2	-177.8	-28.4	0	0	0	109.2	W37 L38 A52 F53 I54	W37-N50 HydrophobicContact CE3-CB 3.93Å; W37-N50 HydrophobicContact CZ3-CB 4.04Å; W37-N50 VanDerWaalsContact O-CB 3.31Å; W37-N50 WeakPolarHBondContact O-CB 3.48Å; W37-N50 PolarHBondContact O-ND2 3.46Å; L38-N50 PolarHBondContact O-N 3.29Å; N50-A52 PolarHBondContact O-N 2.89Å; N50-A52 VanDerWaalsContact O-N 3.11Å; N50-A52 WeakPolarHBondContact OD1-CB 3.49Å; N50-A52 PolarHBondContact OD1-N 2.92Å; N50-F53 HydrophobicContact CB-CD2 3.96Å; N50-F53 PolarHBondContact O-N 2.92Å; N50-I54 PolarHBondContact O-N 3.23Å
51	A	93.9	Very high	94.7	Very high	84 Å²	84	52.6 Å²	52.6	69%	0.694	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-30.8	-176.9	0	0	0	0	0	113.3	Y49 F53 I54	Y49-A51 PolarHBondContact O-N 2.86Å; A51-F53 PolarHBondContact O-N 2.75Å; A51-I54 WeakPolarHBondContact O-CG2 3.37Å
52	A	91.1	Very high	94.7	Very high	73 Å²	73	54.1 Å²	54.1	60%	0.603	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-20.5	177.6	0	0	0	0	0	113.6	N50	N50-A52 PolarHBondContact O-N 2.89Å; N50-A52 VanDerWaalsContact O-N 3.11Å; N50-A52 WeakPolarHBondContact OD1-CB 3.49Å; N50-A52 PolarHBondContact OD1-N 2.92Å
53	F	88.8	Confident	94.7	Very high	19 Å²	19	55 Å²	55	8%	0.083	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122	-8.2	-173.5	-56.6	-83	0	0	0	113.9	R28 L38 N50 A51 S55 R56 L57 M72	R28-F53 VanDerWaalsContact CZ-CZ 3.46Å; R28-F53 VanDerWaalsContact NH2-CE1 3.31Å; L38-F53 HydrophobicContact CD2-CD1 4.31Å; L38-F53 HydrophobicContact CD2-CD2 3.79Å; L38-F53 HydrophobicContact CD2-CE1 4.41Å; L38-F53 HydrophobicContact CD2-CE2 3.88Å; L38-F53 HydrophobicContact CD2-CG 4.02Å; L38-F53 HydrophobicContact CD2-CZ 4.21Å; N50-F53 HydrophobicContact CB-CD2 3.96Å; N50-F53 PolarHBondContact O-N 2.92Å; A51-F53 PolarHBondContact O-N 2.75Å; F53-S55 PolarHBondContact O-N 2.99Å; F53-R56 PolarHBondContact O-N 2.89Å; F53-L57 HydrophobicContact CB-CD1 3.42Å; F53-L57 VanDerWaalsContact CB-CD1 3.42Å; F53-L57 HydrophobicContact CB-CG 3.77Å; F53-L57 HydrophobicContact CG-CD1 4.39Å; F53-L57 WeakPolarHBondContact O-CG 3.38Å; F53-L57 PolarHBondContact O-N 2.92Å; F53-M72 HydrophobicContact CD1-CE 4Å
54	I	90.8	Very high	94.9	Very high	96 Å²	96	57.9 Å²	57.9	49%	0.492	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-33.1	-169	-167.1	166.4	0	0	0	114.3	Y49 N50 A51 R56	Y49-I54 HydrophobicContact CD2-CD1 4.27Å; Y49-I54 HydrophobicContact CD2-CG1 4.04Å; Y49-I54 HydrophobicContact CG-CG1 4.09Å; N50-I54 PolarHBondContact O-N 3.23Å; A51-I54 WeakPolarHBondContact O-CG2 3.37Å; I54-R56 PolarHBondContact O-N 3.47Å
55	S	93.6	Very high	95.1	Very high	112 Å²	112	60.4 Å²	60.4	78%	0.783	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-16.2	179.8	58.9	0	0	0	0	114.1	F53	F53-S55 PolarHBondContact O-N 2.99Å
56	R	95.1	Very high	95.2	Very high	27 Å²	27	60.8 Å²	60.8	10%	0.102	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-12.3	-173.8	-59.5	-167.9	-60	125.3	-1.2	113.5	F53 I54 M72 N73 S74 D79	F53-R56 PolarHBondContact O-N 2.89Å; I54-R56 PolarHBondContact O-N 3.47Å; R56-M72 HydrophobicContact CB-CG 4.5Å; R56-M72 CarbonylContact O-C 3.52Å; R56-M72 WeakPolarHBondContact O-CA 3.32Å; R56-N73 WeakPolarHBondContact CB-O 3.14Å; R56-N73 PolarHBondContact O-N 2.69Å; R56-S74 PolarHBondContact NH1-O 3.43Å; R56-D79 IonicContact CZ-OD1 3.41Å; R56-D79 IonicContact CZ-OD2 2.96Å; R56-D79 IonicContact NH1-OD1 2.69Å; R56-D79 IonicContact NH1-OD2 2.86Å; R56-D79 PolarHBondContact NH1-OD2 3.21Å; R56-D79 IonicContact NH2-OD1 3.21Å; R56-D79 PolarHBondContact NH2-OD1 2.76Å; R56-D79 IonicContact NH2-OD2 2.99Å; R56-D79 PolarHBondContact NH2-OD2 2.89Å
57	L	95.4	Very high	95.3	Very high	14 Å²	14	59.7 Å²	59.7	7%	0.073	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	148	-173.5	-68.1	-174.8	0	0	0	113.4	L38 Y49 F53 F70 K71 M72	L38-L57 HydrophobicContact CB-CD1 4.05Å; L38-L57 WeakPolarHBondContact O-CD1 3.48Å; Y49-L57 HydrophobicContact CD1-CB 3.73Å; Y49-L57 HydrophobicContact CD1-CD1 4.21Å; Y49-L57 HydrophobicContact CE1-CB 3.9Å; F53-L57 HydrophobicContact CB-CD1 3.42Å; F53-L57 VanDerWaalsContact CB-CD1 3.42Å; F53-L57 HydrophobicContact CB-CG 3.77Å; F53-L57 HydrophobicContact CG-CD1 4.39Å; F53-L57 WeakPolarHBondContact O-CG 3.38Å; F53-L57 PolarHBondContact O-N 2.92Å; L57-F70 HydrophobicContact CD1-CE2 4.14Å; L57-F70 HydrophobicContact CD2-CD2 4.4Å; L57-F70 HydrophobicContact CD2-CE1 4.34Å; L57-F70 HydrophobicContact CD2-CE2 3.36Å; L57-F70 HydrophobicContact CD2-CZ 3.32Å; L57-F70 HydrophobicContact CG-CE2 4.31Å; L57-K71 CarbonylContact C-O 3.6Å; L57-K71 WeakPolarHBondContact CA-O 3.31Å; L57-M72 HydrophobicContact CD2-CB 3.81Å; L57-M72 HydrophobicContact CD2-CE 3.43Å; L57-M72 VanDerWaalsContact CD2-CE 3.43Å; L57-M72 HydrophobicContact CD2-CG 3.89Å; L57-M72 HydrophobicContact CD2-SD 4.46Å; L57-M72 HydrophobicContact CG-CE 4.35Å
58	S	96.9	Very high	95.4	Very high	55 Å²	55	57.4 Å²	57.4	39%	0.385	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	127.8	166.2	178.4	0	0	0	0	109	K71	S58-K71 PolarHBondContact N-O 3.01Å; S58-K71 PolarHBondContact O-N 3.32Å
59	I	98	Very high	95.5	Very high	8 Å²	8	56 Å²	56	4%	0.041	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	134.1	174.7	-58.5	161.3	0	0	0	108.5	I41 T47 Y49 V68 F69 F70	I41-I59 HydrophobicContact CB-CG2 3.7Å; I41-I59 HydrophobicContact CG2-CG2 3.68Å; T47-I59 HydrophobicContact CG2-CB 4.43Å; Y49-I59 HydrophobicContact CD1-CD1 4.17Å; Y49-I59 HydrophobicContact CE1-CB 4.33Å; Y49-I59 HydrophobicContact CE1-CD1 3.77Å; Y49-I59 HydrophobicContact CE1-CG1 3.88Å; Y49-I59 PolarHBondContact OH-N 3.05Å; Y49-I59 VanDerWaalsContact OH-N 3.15Å; I59-V68 HydrophobicContact CG2-CG1 4.02Å; I59-F69 WeakPolarHBondContact CA-O 3.06Å; I59-F70 HydrophobicContact CG1-CD2 4.07Å
60	S	97.8	Very high	95.6	Very high	56 Å²	56	53.4 Å²	53.4	39%	0.392	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	170.5	174.9	68.6	0	0	0	0	110.8	V68 F69	S60-V68 CarbonylContact O-C 3.54Å; S60-V68 WeakPolarHBondContact O-CA 3.43Å; S60-V68 WeakPolarHBondContact O-CG1 3.22Å; S60-F69 PolarHBondContact N-O 2.86Å; S60-F69 PolarHBondContact O-N 2.94Å
61	K	97.4	Very high	95.7	Very high	44 Å²	44	55.6 Å²	55.6	19%	0.191	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	151.7	177.9	70.6	-176.9	-172.3	174.4	0	112.2	L19 I41 W42 S43 N63 Q67 V68	L19-K61 HydrophobicContact CB-CD 4.43Å; L19-K61 HydrophobicContact CD1-CB 4.37Å; L19-K61 PolarHBondContact O-NZ 2.93Å; I41-K61 HydrophobicContact CD1-CB 4.04Å; I41-K61 HydrophobicContact CD1-CD 3.91Å; I41-K61 HydrophobicContact CD1-CG 3.72Å; I41-K61 HydrophobicContact CG1-CD 4.11Å; I41-K61 HydrophobicContact CG1-CG 4.46Å; I41-K61 HydrophobicContact CG2-CD 4.44Å; W42-K61 PolarHBondContact O-NZ 2.93Å; S43-K61 VanDerWaalsContact C-NZ 3.31Å; S43-K61 PolarHBondContact O-NZ 3.43Å; K61-N63 WeakPolarHBondContact CE-OD1 3.29Å; K61-Q67 CarbonylContact C-O 3.51Å; K61-Q67 VanDerWaalsContact CA-O 3.3Å; K61-Q67 WeakPolarHBondContact CA-O 3.29Å; K61-V68 HydrophobicContact CB-CG2 4.07Å
62	D	97.4	Very high	95.8	Very high	40 Å²	40	51.6 Å²	51.6	21%	0.214	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	102.7	169.9	-176.3	-17.3	0	0	0	108.3	S64 K65 S66 Q67 F69	D62-S64 VanDerWaalsContact C-N 3.25Å; D62-S64 PolarHBondContact O-N 2.84Å; D62-S64 WeakPolarHBondContact OD1-CB 3.48Å; D62-S64 PolarHBondContact OD1-N 3.41Å; D62-S64 PolarHBondContact OD1-OG 2.91Å; D62-K65 HydrophobicContact CB-CB 4.33Å; D62-K65 PolarHBondContact O-N 3.3Å; D62-K65 PolarHBondContact OD1-N 2.73Å; D62-K65 WeakPolarHBondContact OD2-CD 3.45Å; D62-K65 VanDerWaalsContact OD2-CE 3.23Å; D62-K65 WeakPolarHBondContact OD2-CE 3.35Å; D62-K65 WeakPolarHBondContact OD2-CG 3.35Å; D62-K65 IonicContact OD2-NZ 3.55Å; D62-S66 PolarHBondContact O-N 2.85Å; D62-S66 VanDerWaalsContact O-N 3.08Å; D62-Q67 PolarHBondContact N-O 3.15Å; D62-Q67 PolarHBondContact O-N 3.36Å; D62-F69 HydrophobicContact CB-CE2 3.85Å; D62-F69 HydrophobicContact CB-CZ 4.45Å
63	N	96.2	Very high	96	Very high	71 Å²	71	50.7 Å²	50.7	38%	0.38	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-32.7	-179.3	-64.6	-17.6	0	0	0	111.8	L19 T20 K61 K65 S66	L19-N63 VanDerWaalsContact CB-OD1 3.26Å; L19-N63 WeakPolarHBondContact CB-OD1 3.32Å; T20-N63 HydrophobicContact CG2-CB 4.41Å; K61-N63 WeakPolarHBondContact CE-OD1 3.29Å; N63-K65 VanDerWaalsContact C-N 3.26Å; N63-K65 PolarHBondContact O-N 2.79Å; N63-S66 PolarHBondContact O-N 2.93Å
64	S	95.7	Very high	96.3	Very high	104 Å²	104	53 Å²	53	73%	0.727	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-30.4	-178.2	74.4	0	0	0	0	112.1	D62	D62-S64 VanDerWaalsContact C-N 3.25Å; D62-S64 PolarHBondContact O-N 2.84Å; D62-S64 WeakPolarHBondContact OD1-CB 3.48Å; D62-S64 PolarHBondContact OD1-N 3.41Å; D62-S64 PolarHBondContact OD1-OG 2.91Å
65	K	96.9	Very high	96.5	Very high	127 Å²	127	48.6 Å²	48.6	55%	0.552	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-3	177.8	-62.8	-178.8	-168.2	164.3	0	113.5	D62 N63 Q67	D62-K65 HydrophobicContact CB-CB 4.33Å; D62-K65 PolarHBondContact O-N 3.3Å; D62-K65 PolarHBondContact OD1-N 2.73Å; D62-K65 WeakPolarHBondContact OD2-CD 3.45Å; D62-K65 VanDerWaalsContact OD2-CE 3.23Å; D62-K65 WeakPolarHBondContact OD2-CE 3.35Å; D62-K65 WeakPolarHBondContact OD2-CG 3.35Å; D62-K65 IonicContact OD2-NZ 3.55Å; N63-K65 VanDerWaalsContact C-N 3.26Å; N63-K65 PolarHBondContact O-N 2.79Å; K65-Q67 HydrophobicContact CB-CB 4.22Å; K65-Q67 HydrophobicContact CB-CG 4.11Å; K65-Q67 PolarHBondContact O-N 3.12Å
66	S	96.4	Very high	96.5	Very high	43 Å²	43	48 Å²	48	30%	0.301	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	44.2	-170.7	-59.4	0	0	0	0	111.8	T13 V14 D62 N63	T13-S66 WeakPolarHBondContact CA-O 3.41Å; V14-S66 WeakPolarHBondContact CG2-O 3.4Å; V14-S66 PolarHBondContact N-O 3.26Å; D62-S66 PolarHBondContact O-N 2.85Å; D62-S66 VanDerWaalsContact O-N 3.08Å; N63-S66 PolarHBondContact O-N 2.93Å
67	Q	97.8	Very high	96.5	Very high	49 Å²	49	49.7 Å²	49.7	23%	0.229	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	140.4	-176.5	-78	176.2	-9.5	0	0	112.1	T11 C12 T13 L19 K61 D62 K65 F69	T11-Q67 HydrophobicContact CG2-CB 4.1Å; T11-Q67 HydrophobicContact CG2-CG 3.83Å; C12-Q67 WeakPolarHBondContact O-CA 3.48Å; T13-Q67 HydrophobicContact CG2-CG 4.38Å; T13-Q67 PolarHBondContact OG1-NE2 2.87Å; L19-Q67 WeakPolarHBondContact CD1-O 3.46Å; K61-Q67 CarbonylContact C-O 3.51Å; K61-Q67 VanDerWaalsContact CA-O 3.3Å; K61-Q67 WeakPolarHBondContact CA-O 3.29Å; D62-Q67 PolarHBondContact N-O 3.15Å; D62-Q67 PolarHBondContact O-N 3.36Å; K65-Q67 HydrophobicContact CB-CB 4.22Å; K65-Q67 HydrophobicContact CB-CG 4.11Å; K65-Q67 PolarHBondContact O-N 3.12Å; Q67-F69 HydrophobicContact CB-CE1 4.27Å; Q67-F69 HydrophobicContact CB-CE2 3.99Å; Q67-F69 HydrophobicContact CB-CZ 3.66Å
68	V	97.8	Very high	96.3	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	132.1	169.7	-178.1	0	0	0	0	108.2	C12 L19 V24 W26 I41 I59 S60 K61	C12-V68 HydrophobicContact CB-CB 4.48Å; C12-V68 PolarHBondContact N-O 3.24Å; C12-V68 PolarHBondContact O-N 2.96Å; L19-V68 HydrophobicContact CD1-CG2 3.85Å; L19-V68 HydrophobicContact CD2-CG2 3.62Å; L19-V68 HydrophobicContact CG-CG2 4.42Å; V24-V68 HydrophobicContact CB-CB 4.47Å; V24-V68 HydrophobicContact CB-CG1 4.29Å; V24-V68 HydrophobicContact CB-CG2 3.91Å; V24-V68 HydrophobicContact CG1-CB 4.28Å; V24-V68 HydrophobicContact CG1-CG1 4.2Å; V24-V68 HydrophobicContact CG1-CG2 4.16Å; V24-V68 HydrophobicContact CG2-CG2 3.82Å; W26-V68 HydrophobicContact CZ2-CG1 4.23Å; I41-V68 HydrophobicContact CG2-CG1 3.72Å; I41-V68 HydrophobicContact CG2-CG2 4.5Å; I59-V68 HydrophobicContact CG2-CG1 4.02Å; S60-V68 CarbonylContact O-C 3.54Å; S60-V68 WeakPolarHBondContact O-CA 3.43Å; S60-V68 WeakPolarHBondContact O-CG1 3.22Å; K61-V68 HydrophobicContact CB-CG2 4.07Å
69	F	98	Very high	96.3	Very high	50 Å²	50	52.1 Å²	52.1	22%	0.219	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	134.4	-177.9	-51.8	-84.2	0	0	0	109.4	I10 T11 I59 S60 D62 Q67	I10-F69 WeakPolarHBondContact O-CA 3.4Å; T11-F69 HydrophobicContact CG2-CD1 3.99Å; T11-F69 HydrophobicContact CG2-CE1 3.7Å; T11-F69 WeakPolarHBondContact OG1-CD1 3.42Å; I59-F69 WeakPolarHBondContact CA-O 3.06Å; S60-F69 PolarHBondContact N-O 2.86Å; S60-F69 PolarHBondContact O-N 2.94Å; D62-F69 HydrophobicContact CB-CE2 3.85Å; D62-F69 HydrophobicContact CB-CZ 4.45Å; Q67-F69 HydrophobicContact CB-CE1 4.27Å; Q67-F69 HydrophobicContact CB-CE2 3.99Å; Q67-F69 HydrophobicContact CB-CZ 3.66Å
70	F	97.7	Very high	96.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	124.2	171.2	168.7	-90.8	0	0	0	108.7	L8 S9 I10 W26 L38 L57 I59 M72 Y83	L8-F70 HydrophobicContact CD2-CE1 4.46Å; S9-F70 CarbonylContact C-O 3.59Å; S9-F70 VanDerWaalsContact CA-O 3.31Å; S9-F70 WeakPolarHBondContact CA-O 3.37Å; I10-F70 HydrophobicContact CB-CD1 4.45Å; I10-F70 HydrophobicContact CD1-CD1 4.19Å; I10-F70 HydrophobicContact CG1-CD1 4.27Å; I10-F70 PolarHBondContact N-O 3.02Å; I10-F70 PolarHBondContact O-N 3.48Å; W26-F70 HydrophobicContact CB-CD2 3.94Å; W26-F70 HydrophobicContact CB-CE2 4.26Å; W26-F70 HydrophobicContact CD2-CB 3.49Å; W26-F70 VanDerWaalsContact CD2-CB 3.49Å; W26-F70 AromaticContact CD2-CD2 3.94Å; W26-F70 HydrophobicContact CD2-CD2 3.94Å; W26-F70 AromaticContact CD2-CG 3.88Å; W26-F70 HydrophobicContact CD2-CG 3.88Å; W26-F70 HydrophobicContact CE3-CB 3.83Å; W26-F70 HydrophobicContact CE3-CD2 4.39Å; W26-F70 HydrophobicContact CE3-CG 4.05Å; W26-F70 HydrophobicContact CG-CB 4.05Å; W26-F70 AromaticContact CG-CD2 3.7Å; W26-F70 HydrophobicContact CG-CD2 3.7Å; W26-F70 HydrophobicContact CG-CE2 4.49Å; W26-F70 HydrophobicContact CG-CG 4.16Å; W26-F70 HydrophobicContact CH2-CB 3.78Å; W26-F70 HydrophobicContact CZ2-CB 3.47Å; W26-F70 VanDerWaalsContact CZ2-CB 3.47Å; W26-F70 HydrophobicContact CZ3-CB 3.97Å; W26-F70 HydrophobicContact CZ3-CG 4.48Å; L38-F70 HydrophobicContact CB-CE2 4.3Å; L38-F70 HydrophobicContact CD1-CE2 3.84Å; L38-F70 HydrophobicContact CD1-CZ 3.7Å; L57-F70 HydrophobicContact CD1-CE2 4.14Å; L57-F70 HydrophobicContact CD2-CD2 4.4Å; L57-F70 HydrophobicContact CD2-CE1 4.34Å; L57-F70 HydrophobicContact CD2-CE2 3.36Å; L57-F70 HydrophobicContact CD2-CZ 3.32Å; L57-F70 HydrophobicContact CG-CE2 4.31Å; I59-F70 HydrophobicContact CG1-CD2 4.07Å; F70-M72 HydrophobicContact CE1-CB 3.92Å; F70-M72 HydrophobicContact CZ-CB 4.11Å; F70-M72 HydrophobicContact CZ-CE 4.12Å; F70-Y83 AromaticContact CE1-CD1 3.89Å; F70-Y83 HydrophobicContact CE1-CD1 3.89Å; F70-Y83 AromaticContact CE1-CE1 3.87Å; F70-Y83 HydrophobicContact CE1-CE1 3.87Å; F70-Y83 HydrophobicContact CZ-CD1 4.15Å; F70-Y83 AromaticContact CZ-CE1 3.97Å; F70-Y83 HydrophobicContact CZ-CE1 3.97Å
71	K	97.2	Very high	96.2	Very high	95 Å²	95	51 Å²	51	41%	0.413	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	131.9	175.2	-169.4	179	-175.8	-173.7	0	109.6	L8 L57 S58 N73	L8-K71 CarbonylContact O-C 3.48Å; L8-K71 VanDerWaalsContact O-CA 3.26Å; L8-K71 WeakPolarHBondContact O-CA 3.48Å; L57-K71 CarbonylContact C-O 3.6Å; L57-K71 WeakPolarHBondContact CA-O 3.31Å; S58-K71 PolarHBondContact N-O 3.01Å; S58-K71 PolarHBondContact O-N 3.32Å; K71-N73 WeakPolarHBondContact CE-OD1 3.28Å
72	M	96	Very high	96.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	123	170.7	-176.6	178.8	-89.5	0	0	108.8	S7 L8 F53 R56 L57 F70 L75 D79	S7-M72 CarbonylContact C-O 3.6Å; S7-M72 VanDerWaalsContact CA-O 3.28Å; S7-M72 WeakPolarHBondContact CA-O 3.43Å; L8-M72 PolarHBondContact N-O 3Å; L8-M72 PolarHBondContact O-N 3.14Å; F53-M72 HydrophobicContact CD1-CE 4Å; R56-M72 HydrophobicContact CB-CG 4.5Å; R56-M72 CarbonylContact O-C 3.52Å; R56-M72 WeakPolarHBondContact O-CA 3.32Å; L57-M72 HydrophobicContact CD2-CB 3.81Å; L57-M72 HydrophobicContact CD2-CE 3.43Å; L57-M72 VanDerWaalsContact CD2-CE 3.43Å; L57-M72 HydrophobicContact CD2-CG 3.89Å; L57-M72 HydrophobicContact CD2-SD 4.46Å; L57-M72 HydrophobicContact CG-CE 4.35Å; F70-M72 HydrophobicContact CE1-CB 3.92Å; F70-M72 HydrophobicContact CZ-CB 4.11Å; F70-M72 HydrophobicContact CZ-CE 4.12Å; M72-L75 HydrophobicContact CB-CD2 4.39Å; M72-L75 HydrophobicContact CG-CD2 4.02Å; M72-L75 HydrophobicContact SD-CD2 3.64Å; M72-D79 HydrophobicContact SD-CB 4.05Å; M72-D79 VanDerWaalsContact SD-CG 3.57Å
73	N	95.8	Very high	96.3	Very high	54 Å²	54	50 Å²	50	29%	0.289	28%	0.276	S	S	.	.			trans	-95.8	159.2	177.9	-56.2	-47.2	0	0	0	110.6	S7 R56 K71 L75	S7-N73 PolarHBondContact OG-OD1 2.94Å; R56-N73 WeakPolarHBondContact CB-O 3.14Å; R56-N73 PolarHBondContact O-N 2.69Å; K71-N73 WeakPolarHBondContact CE-OD1 3.28Å; N73-L75 PolarHBondContact O-N 2.83Å
74	S	94.2	Very high	96.4	Very high	68 Å²	68	48.3 Å²	48.3	48%	0.476	27%	0.265	S	S	.	.	S	Bend	trans	51.6	59	175.2	-54.3	0	0	0	0	111.9	Q6 R56	Q6-S74 PolarHBondContact O-N 3.14Å; R56-S74 PolarHBondContact NH1-O 3.43Å
75	L	94.7	Very high	96.4	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.021	24%	0.236	C	C	.	.			trans	-59.1	142.9	179.8	-77.5	171.5	0	0	0	111.9	V2 P4 S5 Q6 L8 M72 N73 D79 V109	V2-L75 HydrophobicContact CB-CD1 3.85Å; V2-L75 HydrophobicContact CG1-CD1 3.36Å; V2-L75 HydrophobicContact CG2-CD1 4.44Å; P4-L75 WeakPolarHBondContact CA-O 3.41Å; S5-L75 PolarHBondContact N-O 2.85Å; Q6-L75 WeakPolarHBondContact O-CG 3.48Å; Q6-L75 PolarHBondContact O-N 2.84Å; L8-L75 HydrophobicContact CB-CD1 3.74Å; L8-L75 HydrophobicContact CB-CD2 4.18Å; L8-L75 HydrophobicContact CB-CG 4.27Å; L8-L75 HydrophobicContact CD2-CD2 4.39Å; M72-L75 HydrophobicContact CB-CD2 4.39Å; M72-L75 HydrophobicContact CG-CD2 4.02Å; M72-L75 HydrophobicContact SD-CD2 3.64Å; N73-L75 PolarHBondContact O-N 2.83Å; L75-D79 HydrophobicContact CD2-CB 3.79Å; L75-V109 HydrophobicContact CB-CG1 4.19Å; L75-V109 HydrophobicContact CB-CG2 4.2Å; L75-V109 HydrophobicContact CD1-CG2 4.16Å; L75-V109 HydrophobicContact CD2-CG2 4.29Å; L75-V109 HydrophobicContact CG-CG2 4.46Å
76	Q	94.6	Very high	96.3	Very high	99 Å²	99	38.1 Å²	38.1	46%	0.463	21%	0.21	S	C	.	.			trans	-117.8	160.1	176.9	-57.9	175.8	10.2	0	0	109.3	D78 D79 V109	Q76-D78 PolarHBondContact O-N 2.03Å; Q76-D79 PolarHBondContact N-OD2 2.93Å; Q76-D79 VanDerWaalsContact O-CB 3.31Å; Q76-D79 WeakPolarHBondContact O-CB 3.28Å; Q76-D79 PolarHBondContact O-N 2.82Å; Q76-V109 WeakPolarHBondContact O-CB 3.23Å; Q76-V109 WeakPolarHBondContact O-CG1 3.18Å
77	A	93.9	Very high	96.1	Very high	63 Å²	63	38.4 Å²	38.4	52%	0.521	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-55.2	-37.6	178	0	0	0	0	0	112.1	D79 T80	A77-D79 PolarHBondContact O-N 3.01Å; A77-D79 VanDerWaalsContact O-N 3.17Å; A77-T80 VanDerWaalsContact O-CB 3.31Å; A77-T80 WeakPolarHBondContact O-CB 3.03Å; A77-T80 PolarHBondContact O-N 2.92Å; A77-T80 PolarHBondContact O-OG1 2.95Å
78	D	92.9	Very high	95.5	Very high	119 Å²	119	38.3 Å²	38.3	64%	0.636	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-67.6	-9.6	177.8	-70.7	-5.1	0	0	0	114.1	Q76 T80	Q76-D78 PolarHBondContact O-N 2.03Å; D78-T80 PolarHBondContact O-N 3.28Å
79	D	95.3	Very high	94.3	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-82.7	0.8	172	-60.5	-43.2	0	0	0	112.6	R28 R56 M72 L75 Q76 A77 A81 Y83 V109	R28-D79 IonicContact NH1-OD1 3.43Å; R28-D79 PolarHBondContact NH1-OD1 2.95Å; R56-D79 IonicContact CZ-OD1 3.41Å; R56-D79 IonicContact CZ-OD2 2.96Å; R56-D79 IonicContact NH1-OD1 2.69Å; R56-D79 IonicContact NH1-OD2 2.86Å; R56-D79 PolarHBondContact NH1-OD2 3.21Å; R56-D79 IonicContact NH2-OD1 3.21Å; R56-D79 PolarHBondContact NH2-OD1 2.76Å; R56-D79 IonicContact NH2-OD2 2.99Å; R56-D79 PolarHBondContact NH2-OD2 2.89Å; M72-D79 HydrophobicContact SD-CB 4.05Å; M72-D79 VanDerWaalsContact SD-CG 3.57Å; L75-D79 HydrophobicContact CD2-CB 3.79Å; Q76-D79 PolarHBondContact N-OD2 2.93Å; Q76-D79 VanDerWaalsContact O-CB 3.31Å; Q76-D79 WeakPolarHBondContact O-CB 3.28Å; Q76-D79 PolarHBondContact O-N 2.82Å; A77-D79 PolarHBondContact O-N 3.01Å; A77-D79 VanDerWaalsContact O-N 3.17Å; D79-A81 PolarHBondContact O-N 2.8Å; D79-Y83 WeakPolarHBondContact O-CE2 3.19Å; D79-Y83 PolarHBondContact O-OH 2.95Å; D79-V109 HydrophobicContact CB-CG2 4.38Å
80	T	97.3	Very high	92.8	Very high	35 Å²	35	50.2 Å²	50.2	22%	0.215	25%	0.248	C	C	.	.			trans	-63.4	113.3	168.9	-66	0	0	0	0	110.3	P31 A77 D78 V107 T108 V109	P31-T80 WeakPolarHBondContact CD-O 3.21Å; A77-T80 VanDerWaalsContact O-CB 3.31Å; A77-T80 WeakPolarHBondContact O-CB 3.03Å; A77-T80 PolarHBondContact O-N 2.92Å; A77-T80 PolarHBondContact O-OG1 2.95Å; D78-T80 PolarHBondContact O-N 3.28Å; T80-V107 WeakPolarHBondContact CA-O 3.33Å; T80-T108 HydrophobicContact CG2-CG2 4.41Å; T80-V109 PolarHBondContact OG1-N 2.86Å; T80-V109 PolarHBondContact OG1-O 3.02Å
81	A	97.5	Very high	91	Very high	4 Å²	4	52 Å²	52	3%	0.033	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.2	169.3	-174.8	0	0	0	0	0	111.2	R28 Q29 D79 Y83 V107	R28-A81 HydrophobicContact CB-CB 3.95Å; R28-A81 HydrophobicContact CG-CB 4.38Å; Q29-A81 VanDerWaalsContact O-CA 3.32Å; Q29-A81 WeakPolarHBondContact O-CA 3.4Å; Q29-A81 VanDerWaalsContact O-CB 3.32Å; Q29-A81 WeakPolarHBondContact O-CB 3Å; D79-A81 PolarHBondContact O-N 2.8Å; A81-Y83 HydrophobicContact CB-CD2 4.32Å; A81-Y83 HydrophobicContact CB-CE2 3.82Å; A81-Y83 WeakPolarHBondContact O-CD2 3.26Å; A81-V107 PolarHBondContact N-O 2.87Å; A81-V107 VanDerWaalsContact N-O 3.09Å; A81-V107 PolarHBondContact O-N 2.97Å
82	I	98.1	Very high	89	Confident	61 Å²	61	53.9 Å²	53.9	31%	0.313	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	128.9	160.7	-52.5	174.1	0	0	0	108.1	R28 Q29 Y84 T105	R28-I82 CarbonylContact C-O 3.48Å; R28-I82 WeakPolarHBondContact CA-O 3.31Å; Q29-I82 PolarHBondContact N-O 3.09Å; Q29-I82 PolarHBondContact O-N 3.19Å; I82-Y84 HydrophobicContact CB-CE2 3.82Å; I82-Y84 HydrophobicContact CG2-CD1 4.44Å; I82-Y84 HydrophobicContact CG2-CD2 4.4Å; I82-Y84 HydrophobicContact CG2-CE1 3.73Å; I82-Y84 HydrophobicContact CG2-CE2 3.68Å; I82-Y84 VanDerWaalsContact CG2-OH 3.31Å; I82-Y84 WeakPolarHBondContact CG2-OH 3.26Å; I82-Y84 WeakPolarHBondContact O-CE2 3.33Å; I82-T105 WeakPolarHBondContact CA-O 3.17Å
83	Y	97.9	Very high	87.1	Confident	2 Å²	2	64.2 Å²	64.2	1%	0.008	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	124.7	-178.7	-71.4	-101.6	0	0	0	110.5	L8 I10 V27 R28 L38 F70 D79 A81 G104 T105 V107	L8-Y83 HydrophobicContact CD2-CE2 4.47Å; I10-Y83 VanDerWaalsContact CD1-CB 3.42Å; I10-Y83 HydrophobicContact CD1-CD1 4.12Å; I10-Y83 HydrophobicContact CD1-CD2 4.17Å; I10-Y83 HydrophobicContact CD1-CG 3.65Å; V27-Y83 CarbonylContact O-C 3.55Å; R28-Y83 HydrophobicContact CB-CD1 3.98Å; R28-Y83 HydrophobicContact CB-CE1 3.99Å; R28-Y83 HydrophobicContact CB-CG 4.35Å; L38-Y83 HydrophobicContact CD1-CD1 3.8Å; L38-Y83 HydrophobicContact CD1-CE1 3.69Å; F70-Y83 AromaticContact CE1-CD1 3.89Å; F70-Y83 HydrophobicContact CE1-CD1 3.89Å; F70-Y83 AromaticContact CE1-CE1 3.87Å; F70-Y83 HydrophobicContact CE1-CE1 3.87Å; F70-Y83 HydrophobicContact CZ-CD1 4.15Å; F70-Y83 AromaticContact CZ-CE1 3.97Å; F70-Y83 HydrophobicContact CZ-CE1 3.97Å; D79-Y83 WeakPolarHBondContact O-CE2 3.19Å; D79-Y83 PolarHBondContact O-OH 2.95Å; A81-Y83 HydrophobicContact CB-CD2 4.32Å; A81-Y83 HydrophobicContact CB-CE2 3.82Å; A81-Y83 WeakPolarHBondContact O-CD2 3.26Å; Y83-G104 CarbonylContact O-C 3.43Å; Y83-G104 WeakPolarHBondContact O-CA 3.49Å; Y83-T105 PolarHBondContact N-O 2.81Å; Y83-T105 PolarHBondContact O-N 2.84Å; Y83-V107 HydrophobicContact CD2-CB 3.97Å; Y83-V107 HydrophobicContact CD2-CG2 3.77Å; Y83-V107 HydrophobicContact CE2-CB 3.81Å; Y83-V107 HydrophobicContact CE2-CG1 4.47Å; Y83-V107 HydrophobicContact CE2-CG2 4.05Å
84	Y	97.7	Very high	85	Confident	36 Å²	36	68.5 Å²	68.5	14%	0.141	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	141.8	-178.2	-54.4	-86.6	0	0	0	110.4	W26 V27 Q29 L35 I82 W101 G104	W26-Y84 WeakPolarHBondContact CA-O 3.47Å; V27-Y84 PolarHBondContact N-O 3.2Å; V27-Y84 PolarHBondContact O-N 3.37Å; Q29-Y84 HydrophobicContact CB-CE2 3.92Å; L35-Y84 HydrophobicContact CD2-CE2 4.43Å; I82-Y84 HydrophobicContact CB-CE2 3.82Å; I82-Y84 HydrophobicContact CG2-CD1 4.44Å; I82-Y84 HydrophobicContact CG2-CD2 4.4Å; I82-Y84 HydrophobicContact CG2-CE1 3.73Å; I82-Y84 HydrophobicContact CG2-CE2 3.68Å; I82-Y84 VanDerWaalsContact CG2-OH 3.31Å; I82-Y84 WeakPolarHBondContact CG2-OH 3.26Å; I82-Y84 WeakPolarHBondContact O-CE2 3.33Å; Y84-W101 HydrophobicContact CG-CE3 4.14Å; Y84-W101 HydrophobicContact CG-CZ3 4.32Å; Y84-G104 VanDerWaalsContact CD1-CA 3.44Å
85	C	96.4	Very high	83.2	Confident	17 Å²	17	74.7 Å²	74.7	12%	0.115	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	140.9	158.8	58.7	0	0	0	0	109.4	C12 V24 H25 W26 G102	C12-C85 HydrophobicContact CB-CB 3.48Å; C12-C85 VanDerWaalsContact CB-CB 3.48Å; C12-C85 WeakPolarHBondContact CB-SG 3.47Å; C12-C85 WeakPolarHBondContact SG-CB 3.19Å; C12-C85 CovalentContact SG-SG 2.03Å; C12-C85 PolarHBondContact SG-SG 3.2Å; V24-C85 HydrophobicContact CG1-CB 3.93Å; H25-C85 CarbonylContact O-C 3.58Å; H25-C85 VanDerWaalsContact O-CA 3.26Å; H25-C85 WeakPolarHBondContact O-CA 3.31Å; W26-C85 HydrophobicContact CD2-CB 4.42Å; W26-C85 HydrophobicContact CE3-CB 4.29Å; W26-C85 HydrophobicContact CH2-CB 4.18Å; W26-C85 HydrophobicContact CZ2-CB 4.27Å; W26-C85 HydrophobicContact CZ3-CB 4.17Å; C85-G102 PolarHBondContact O-N 3.33Å
86	A	95.2	Very high	81.6	Confident	1 Å²	1	76.6 Å²	76.6	1%	0.008	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	136.8	179.2	0	0	0	0	0	111.5	V24 H25 M98 Y100 W101	V24-A86 CarbonylContact C-O 3.57Å; V24-A86 WeakPolarHBondContact CA-O 3.41Å; H25-A86 PolarHBondContact N-O 3.02Å; H25-A86 PolarHBondContact O-N 3.16Å; A86-M98 HydrophobicContact CB-CB 4.08Å; A86-M98 HydrophobicContact CB-CG 4.25Å; A86-M98 HydrophobicContact CB-SD 3.9Å; A86-Y100 CarbonylContact C-O 3.57Å; A86-Y100 WeakPolarHBondContact CA-O 3.45Å; A86-W101 HydrophobicContact CB-CD2 3.75Å; A86-W101 HydrophobicContact CB-CE3 4.01Å; A86-W101 HydrophobicContact CB-CG 4.17Å; A86-W101 HydrophobicContact CB-CH2 4.39Å; A86-W101 HydrophobicContact CB-CZ2 4.17Å; A86-W101 HydrophobicContact CB-CZ3 4.32Å
87	R	92.3	Very high	80.4	Confident	48 Å²	48	75.4 Å²	75.4	18%	0.181	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	145.5	176.8	-176.1	-174.8	69.5	-172.6	2.9	110.2	F17 Y22 M98 D99 Y100	F17-R87 HydrophobicContact CD1-CG 4.34Å; F17-R87 HydrophobicContact CD2-CG 4.16Å; F17-R87 HydrophobicContact CE1-CB 4.08Å; F17-R87 HydrophobicContact CE1-CG 4.07Å; F17-R87 HydrophobicContact CE2-CB 4.43Å; F17-R87 HydrophobicContact CE2-CG 3.89Å; F17-R87 HydrophobicContact CG-CG 4.35Å; F17-R87 HydrophobicContact CZ-CB 3.89Å; F17-R87 HydrophobicContact CZ-CG 3.82Å; Y22-R87 HydrophobicContact CD1-CG 3.82Å; Y22-R87 HydrophobicContact CG-CG 4.13Å; R87-M98 WeakPolarHBondContact O-CA 3.42Å; R87-D99 IonicContact CZ-OD1 3.44Å; R87-D99 IonicContact CZ-OD2 3.6Å; R87-D99 IonicContact NE-OD1 2.94Å; R87-D99 PolarHBondContact NE-OD1 2.85Å; R87-D99 IonicContact NE-OD2 3.74Å; R87-D99 IonicContact NH2-OD1 3.14Å; R87-D99 PolarHBondContact NH2-OD1 3.44Å; R87-D99 VanDerWaalsContact NH2-OD1 3.14Å; R87-D99 IonicContact NH2-OD2 2.69Å; R87-D99 PolarHBondContact NH2-OD2 3.03Å; R87-Y100 PolarHBondContact N-O 3.08Å
88	K	84.1	Confident	79.8	Confident	47 Å²	47	75.1 Å²	75.1	20%	0.204	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	136.6	160.9	-178.3	171	175.4	163.3	0	111.3	G23 H25 W42 D96	G23-K88 PolarHBondContact N-O 2.8Å; G23-K88 PolarHBondContact O-N 2.88Å; H25-K88 VanDerWaalsContact CD2-CB 3.48Å; H25-K88 WeakPolarHBondContact CD2-CB 3.4Å; H25-K88 VanDerWaalsContact NE2-CB 3.29Å; H25-K88 WeakPolarHBondContact NE2-CB 3.45Å; H25-K88 WeakPolarHBondContact NE2-CD 3.26Å; W42-K88 HydrophobicContact CZ3-CD 4.44Å; K88-D96 WeakPolarHBondContact CE-O 3.42Å
89	R	74	Confident	79.3	Confident	133 Å²	133	73.6 Å²	73.6	50%	0.502	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	138.4	171.1	-171.9	176.1	-176.8	-176.8	0.2	110	Y22 D96	Y22-R89 HydrophobicContact CD1-CB 3.78Å; Y22-R89 HydrophobicContact CD1-CG 4.13Å; Y22-R89 HydrophobicContact CE1-CB 3.57Å; Y22-R89 HydrophobicContact CE1-CG 3.62Å; R89-D96 HydrophobicContact CB-CB 4.07Å; R89-D96 VanDerWaalsContact CB-OD2 3.28Å; R89-D96 WeakPolarHBondContact CB-OD2 3.47Å; R89-D96 WeakPolarHBondContact CD-OD2 3.49Å; R89-D96 WeakPolarHBondContact CG-OD2 3.3Å
90	Y	65.1	Low	79	Confident	167 Å²	167	78.9 Å²	78.9	66%	0.655	37%	0.37	S	S	*	.			trans	-92.3	107.3	167.1	-165	-90.1	0	0	0	107.4
91	S	60.5	Low	78.8	Confident	39 Å²	39	81.3 Å²	81.3	27%	0.273	38%	0.376	S	S	.	.			trans	-116.8	140.3	170.2	104.8	0	0	0	0	109.1	Y93 E94	S91-Y93 PolarHBondContact O-N 2.7Å; S91-Y93 PolarHBondContact OG-N 2.81Å; S91-E94 PolarHBondContact OG-N 2.8Å; S91-E94 PolarHBondContact OG-O 2.8Å
92	N	55.2	Low	78.7	Confident	134 Å²	134	82.1 Å²	82.1	72%	0.717	38%	0.384	S	S	*	.	S	Bend	trans	-74	-3.1	-178.8	-58.1	-15.8	0	0	0	112.8
93	Y	55.5	Low	78.5	Confident	217 Å²	217	88.1 Å²	88.1	85%	0.851	41%	0.411	S	S	*	.	S	Bend	trans	-120	-26.5	-170.1	-72.7	-83.3	0	0	0	112.9	S91	S91-Y93 PolarHBondContact O-N 2.7Å; S91-Y93 PolarHBondContact OG-N 2.81Å
94	E	53.5	Low	78.4	Confident	144 Å²	144	89.3 Å²	89.3	67%	0.673	42%	0.424	S	S	*	.			trans	-147.1	138.6	175.5	-69.5	-173.6	161.3	0	0	111.3	S91 D96	S91-E94 PolarHBondContact OG-N 2.8Å; S91-E94 PolarHBondContact OG-O 2.8Å; E94-D96 VanDerWaalsContact C-N 3.26Å; E94-D96 PolarHBondContact O-N 2.74Å
95	K	54.9	Low	78.4	Confident	198 Å²	198	90.7 Å²	90.7	86%	0.861	44%	0.436	S	S	*	.			trans	-69.8	86.5	169.3	-72.7	-179	-178.8	175.3	0	107.9	A97	K95-A97 PolarHBondContact O-N 3.37Å
96	D	62	Low	78.4	Confident	43 Å²	43	94.3 Å²	94.3	23%	0.23	46%	0.462	C	S	.	.			trans	-54.3	139.2	178.6	-72.9	-38.8	0	0	0	111	K88 R89 E94	K88-D96 WeakPolarHBondContact CE-O 3.42Å; R89-D96 HydrophobicContact CB-CB 4.07Å; R89-D96 VanDerWaalsContact CB-OD2 3.28Å; R89-D96 WeakPolarHBondContact CB-OD2 3.47Å; R89-D96 WeakPolarHBondContact CD-OD2 3.49Å; R89-D96 WeakPolarHBondContact CG-OD2 3.3Å; E94-D96 VanDerWaalsContact C-N 3.26Å; E94-D96 PolarHBondContact O-N 2.74Å
97	A	68.1	Low	78.5	Confident	74 Å²	74	94.7 Å²	94.7	61%	0.612	46%	0.464	S	S	*	.			trans	-66.5	161.1	176	0	0	0	0	0	110.9	K95 D99	K95-A97 PolarHBondContact O-N 3.37Å; A97-D99 VanDerWaalsContact C-N 3.3Å; A97-D99 PolarHBondContact O-N 3.2Å
98	M	82.2	Confident	78.7	Confident	57 Å²	57	95.3 Å²	95.3	28%	0.281	47%	0.473	S	S	.	.			trans	-69.1	93.2	166.3	-67.8	-176.4	-165.1	0	0	108.2	H25 V27 A86 R87 W101	H25-M98 HydrophobicContact CB-CE 3.7Å; H25-M98 HydrophobicContact CB-SD 4.02Å; H25-M98 VanDerWaalsContact CG-CE 3.42Å; H25-M98 WeakPolarHBondContact ND1-CE 3.45Å; V27-M98 HydrophobicContact CG2-CE 4.49Å; V27-M98 HydrophobicContact CG2-SD 4.09Å; A86-M98 HydrophobicContact CB-CB 4.08Å; A86-M98 HydrophobicContact CB-CG 4.25Å; A86-M98 HydrophobicContact CB-SD 3.9Å; R87-M98 WeakPolarHBondContact O-CA 3.42Å; M98-W101 HydrophobicContact CB-CZ2 3.79Å; M98-W101 HydrophobicContact CG-CZ2 4.44Å; M98-W101 PolarHBondContact O-NE1 3.25Å; M98-W101 HydrophobicContact SD-CH2 4.08Å; M98-W101 HydrophobicContact SD-CZ2 3.8Å
99	D	82.8	Confident	79.2	Confident	87 Å²	87	93.4 Å²	93.4	47%	0.465	47%	0.466	S	S	.	.			trans	-94.5	-18.6	-164.8	63	-11.8	0	0	0	113.5	R87 A97	R87-D99 IonicContact CZ-OD1 3.44Å; R87-D99 IonicContact CZ-OD2 3.6Å; R87-D99 IonicContact NE-OD1 2.94Å; R87-D99 PolarHBondContact NE-OD1 2.85Å; R87-D99 IonicContact NE-OD2 3.74Å; R87-D99 IonicContact NH2-OD1 3.14Å; R87-D99 PolarHBondContact NH2-OD1 3.44Å; R87-D99 VanDerWaalsContact NH2-OD1 3.14Å; R87-D99 IonicContact NH2-OD2 2.69Å; R87-D99 PolarHBondContact NH2-OD2 3.03Å; A97-D99 VanDerWaalsContact C-N 3.3Å; A97-D99 PolarHBondContact O-N 3.2Å
100	Y	88.6	Confident	79.9	Confident	113 Å²	113	91.5 Å²	91.5	44%	0.443	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	127.5	176.9	-172.6	-94.1	0	0	0	111.1	F17 A86 R87	F17-Y100 HydrophobicContact CE1-CD1 4.34Å; A86-Y100 CarbonylContact C-O 3.57Å; A86-Y100 WeakPolarHBondContact CA-O 3.45Å; R87-Y100 PolarHBondContact N-O 3.08Å
101	W	94	Very high	80.7	Confident	86 Å²	86	87.8 Å²	87.8	33%	0.326	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	138.6	-176.5	-68.9	71.1	0	0	0	111	V27 L35 Y84 A86 M98	V27-W101 HydrophobicContact CB-CH2 4.06Å; V27-W101 HydrophobicContact CB-CZ3 3.81Å; V27-W101 HydrophobicContact CG1-CH2 3.98Å; V27-W101 HydrophobicContact CG1-CZ3 3.92Å; V27-W101 HydrophobicContact CG2-CH2 3.81Å; V27-W101 HydrophobicContact CG2-CZ3 3.99Å; L35-W101 HydrophobicContact CD1-CH2 3.89Å; L35-W101 HydrophobicContact CD1-CZ3 4.34Å; Y84-W101 HydrophobicContact CG-CE3 4.14Å; Y84-W101 HydrophobicContact CG-CZ3 4.32Å; A86-W101 HydrophobicContact CB-CD2 3.75Å; A86-W101 HydrophobicContact CB-CE3 4.01Å; A86-W101 HydrophobicContact CB-CG 4.17Å; A86-W101 HydrophobicContact CB-CH2 4.39Å; A86-W101 HydrophobicContact CB-CZ2 4.17Å; A86-W101 HydrophobicContact CB-CZ3 4.32Å; M98-W101 HydrophobicContact CB-CZ2 3.79Å; M98-W101 HydrophobicContact CG-CZ2 4.44Å; M98-W101 PolarHBondContact O-NE1 3.25Å; M98-W101 HydrophobicContact SD-CH2 4.08Å; M98-W101 HydrophobicContact SD-CZ2 3.8Å
102	G	93.9	Very high	81.7	Confident	21 Å²	21	90.3 Å²	90.3	22%	0.216	47%	0.474	C	S	.	.			trans	-68.6	161.9	166.1	0	0	0	0	0	111.5	C85 G104	C85-G102 PolarHBondContact O-N 3.33Å; G102-G104 PolarHBondContact O-N 3.38Å; G102-G104 VanDerWaalsContact O-N 3.14Å
103	Q	94.6	Very high	83.2	Confident	187 Å²	187	87.9 Å²	87.9	87%	0.874	46%	0.46	S	S	*	.			trans	-63.6	-18.8	180	-65.2	-62.4	-40.3	0	0	113.7
104	G	95.8	Very high	84.9	Confident	27 Å²	27	80.3 Å²	80.3	28%	0.278	44%	0.437	S	S	.	.			trans	90	149.4	-178.4	0	0	0	0	0	112.8	Y83 Y84 G102	Y83-G104 CarbonylContact O-C 3.43Å; Y83-G104 WeakPolarHBondContact O-CA 3.49Å; Y84-G104 VanDerWaalsContact CD1-CA 3.44Å; G102-G104 PolarHBondContact O-N 3.38Å; G102-G104 VanDerWaalsContact O-N 3.14Å
105	T	97.1	Very high	86.8	Confident	64 Å²	64	76.3 Å²	76.3	39%	0.393	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	116.8	176.8	-60.3	0	0	0	0	108.7	I10 I82 Y83 V107	I10-T105 HydrophobicContact CD1-CG2 4.46Å; I10-T105 HydrophobicContact CG2-CG2 4.5Å; I82-T105 WeakPolarHBondContact CA-O 3.17Å; Y83-T105 PolarHBondContact N-O 2.81Å; Y83-T105 PolarHBondContact O-N 2.84Å; T105-V107 HydrophobicContact CG2-CG2 4.25Å; T105-V107 PolarHBondContact O-N 2.6Å
106	S	97.1	Very high	88.9	Confident	94 Å²	94	68.2 Å²	68.2	66%	0.657	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	123.7	175.6	-175.6	0	0	0	0	110.5
107	V	96.6	Very high	90.9	Very high	9 Å²	9	70 Å²	70	6%	0.055	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.7	176.7	179.3	0	0	0	0	109	V2 L8 I10 T80 A81 Y83 T105 V109	V2-V107 HydrophobicContact CG2-CG1 4.36Å; L8-V107 HydrophobicContact CD1-CG1 4.29Å; L8-V107 HydrophobicContact CD1-CG2 3.99Å; L8-V107 HydrophobicContact CD2-CB 4.48Å; L8-V107 HydrophobicContact CD2-CG1 4.02Å; L8-V107 HydrophobicContact CD2-CG2 3.96Å; I10-V107 HydrophobicContact CD1-CG2 4.31Å; T80-V107 WeakPolarHBondContact CA-O 3.33Å; A81-V107 PolarHBondContact N-O 2.87Å; A81-V107 VanDerWaalsContact N-O 3.09Å; A81-V107 PolarHBondContact O-N 2.97Å; Y83-V107 HydrophobicContact CD2-CB 3.97Å; Y83-V107 HydrophobicContact CD2-CG2 3.77Å; Y83-V107 HydrophobicContact CE2-CB 3.81Å; Y83-V107 HydrophobicContact CE2-CG1 4.47Å; Y83-V107 HydrophobicContact CE2-CG2 4.05Å; T105-V107 HydrophobicContact CG2-CG2 4.25Å; T105-V107 PolarHBondContact O-N 2.6Å; V107-V109 HydrophobicContact CG1-CG2 4.36Å
108	T	96.7	Very high	92.6	Very high	61 Å²	61	69.7 Å²	69.7	37%	0.374	39%	0.389	S	S	.	.			trans	-119.1	125.2	175.7	-50.8	0	0	0	0	108.7	L1 V2 T80	L1-T108 WeakPolarHBondContact CA-O 3.39Å; L1-T108 HydrophobicContact CD1-CG2 3.89Å; V2-T108 PolarHBondContact N-O 3.35Å; T80-T108 HydrophobicContact CG2-CG2 4.41Å
109	V	95.1	Very high	93.5	Very high	7 Å²	7	70.8 Å²	70.8	4%	0.042	40%	0.398	C	S	.	.	B	Isolated β-bridge	trans	-108.7	113.9	175.5	-172.1	0	0	0	0	108.4	V2 P4 L75 Q76 D79 T80 V107	V2-V109 VanDerWaalsContact O-CA 3.29Å; V2-V109 WeakPolarHBondContact O-CA 3.4Å; P4-V109 HydrophobicContact CG-CG1 4.23Å; L75-V109 HydrophobicContact CB-CG1 4.19Å; L75-V109 HydrophobicContact CB-CG2 4.2Å; L75-V109 HydrophobicContact CD1-CG2 4.16Å; L75-V109 HydrophobicContact CD2-CG2 4.29Å; L75-V109 HydrophobicContact CG-CG2 4.46Å; Q76-V109 WeakPolarHBondContact O-CB 3.23Å; Q76-V109 WeakPolarHBondContact O-CG1 3.18Å; D79-V109 HydrophobicContact CB-CG2 4.38Å; T80-V109 PolarHBondContact OG1-N 2.86Å; T80-V109 PolarHBondContact OG1-O 3.02Å; V107-V109 HydrophobicContact CG1-CG2 4.36Å
110	S	89.7	Confident	94.5	Very high	93 Å²	93	69.3 Å²	69.3	65%	0.65	39%	0.392	S	S	*	.			trans	-151.4	0	-178.4	67.6	0	0	0	0	111.9	L1 V2 Q3	L1-S110 WeakPolarHBondContact CD1-OG 3.44Å; V2-S110 PolarHBondContact O-N 2.94Å; Q3-S110 PolarHBondContact NE2-O 3.38Å; Q3-S110 PolarHBondContact OE1-O 3.31Å

Retrieved 110 of 110 residues in 28.9 ms (Link to these results)

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