X5J5S3_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5S3, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 90 aa.

						>X5J5S3_MOUSE|X5J5S3
GGLVQPGGSLKLSCAASGFDFSRYWMSWVRQAPGKGLEWIGEINPDSYMINYTPSLKDRFIISRDNAKNTLYLQMSKVRSEDTALYYCAR
					

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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	G	63.8	Low	88.5	Confident	118 Å²	118	87.7 Å²	87.7	100%	1.216	58%	0.58	S	S	*	*				0	160.3	0	0	0	0	0	0	109.3
2	G	80.4	Confident	89.3	Confident	45 Å²	45	81.8 Å²	81.8	46%	0.464	54%	0.539	S	S	.	.			trans	-120	154.9	178.8	0	0	0	0	0	111.5	L10	G2-L10 WeakPolarHBondContact O-CD2 3.47Å
3	L	85.1	Confident	89.9	Confident	190 Å²	190	82.1 Å²	82.1	100%	0.995	54%	0.543	S	S	*	.			trans	-82.5	133.3	168.4	-73	158.4	0	0	0	108.6
4	V	91	Very high	90.5	Very high	54 Å²	54	77.7 Å²	77.7	33%	0.327	51%	0.514	S	S	.	.			trans	-136.8	142.9	176.2	67.5	0	0	0	0	109	L10 V78	V4-L10 HydrophobicContact CG1-CB 4.23Å; V4-V78 HydrophobicContact CG1-CB 4.08Å; V4-V78 HydrophobicContact CG1-CG1 3.94Å; V4-V78 HydrophobicContact CG1-CG2 4.11Å
5	Q	89.6	Confident	91	Very high	155 Å²	155	77.9 Å²	77.9	72%	0.724	53%	0.525	S	S	*	.			trans	-68.3	149.4	174.3	-67.1	-65	-17.6	0	0	110.5	G7 G8	Q5-G7 PolarHBondContact O-N 3.26Å; Q5-G8 PolarHBondContact O-N 3.31Å
6	P	90.3	Very high	91.3	Very high	91 Å²	91	74.2 Å²	74.2	59%	0.591	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	139.2	171.2	-26.3	35	0	0	0	111.9	G8 V78	P6-G8 PolarHBondContact O-N 2.98Å; P6-V78 CarbonylContact C-O 3.56Å; P6-V78 WeakPolarHBondContact CA-O 3.38Å
7	G	91.4	Very high	91.6	Very high	55 Å²	55	75.9 Å²	75.9	57%	0.567	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.3	-16	-173.6	0	0	0	0	0	114.5	Q5 V78	Q5-G7 PolarHBondContact O-N 3.26Å; G7-V78 PolarHBondContact N-O 2.98Å
8	G	94.6	Very high	91.9	Very high	23 Å²	23	76.6 Å²	76.6	24%	0.237	54%	0.536	C	S	.	.			trans	-73.9	-176.8	176.3	0	0	0	0	0	114	Q5 P6 K77 V78	Q5-G8 PolarHBondContact O-N 3.31Å; P6-G8 PolarHBondContact O-N 2.98Å; G8-K77 PolarHBondContact O-N 3.34Å; G8-K77 VanDerWaalsContact O-N 3.13Å; G8-V78 WeakPolarHBondContact O-CG2 3.48Å; G8-V78 PolarHBondContact O-N 3.02Å
9	S	95.5	Very high	92.1	Very high	76 Å²	76	75.5 Å²	75.5	53%	0.531	52%	0.521	S	S	.	.			trans	-126.5	145.5	177.8	-60.4	0	0	0	0	110.7	M75	S9-M75 CarbonylContact C-O 3.59Å; S9-M75 WeakPolarHBondContact CA-O 3.43Å; S9-M75 WeakPolarHBondContact CB-O 3.18Å
10	L	95.2	Very high	92.3	Very high	42 Å²	42	75.1 Å²	75.1	22%	0.22	51%	0.512	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	144.3	178.8	179.7	65	0	0	0	109.3	G2 V4 L12 M75	G2-L10 WeakPolarHBondContact O-CD2 3.47Å; V4-L10 HydrophobicContact CG1-CB 4.23Å; L10-L12 HydrophobicContact CD2-CD2 3.71Å; L10-L12 HydrophobicContact CD2-CG 4.44Å; L10-L12 HydrophobicContact CG-CD2 4.05Å; L10-M75 PolarHBondContact N-O 3.15Å; L10-M75 PolarHBondContact O-N 3.11Å
11	K	96.7	Very high	92.5	Very high	116 Å²	116	71.5 Å²	71.5	50%	0.504	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	119.8	170.2	-172.9	173.7	-179.5	173.8	0	109.5	L73	K11-L73 CarbonylContact C-O 3.6Å; K11-L73 WeakPolarHBondContact CA-O 3.49Å
12	L	97.5	Very high	94.1	Very high	17 Å²	17	68.1 Å²	68.1	9%	0.089	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	149.7	171.6	-55.8	-178.9	0	0	0	109.7	L10 W28 Y72 L73 M75 Y86	L10-L12 HydrophobicContact CD2-CD2 3.71Å; L10-L12 HydrophobicContact CD2-CG 4.44Å; L10-L12 HydrophobicContact CG-CD2 4.05Å; L12-W28 HydrophobicContact CB-CH2 3.88Å; L12-W28 HydrophobicContact CB-CZ2 4.34Å; L12-W28 HydrophobicContact CB-CZ3 4.43Å; L12-W28 HydrophobicContact CD1-CZ3 4.34Å; L12-Y72 VanDerWaalsContact O-CA 3.25Å; L12-Y72 WeakPolarHBondContact O-CA 3.28Å; L12-L73 HydrophobicContact CB-CB 4.3Å; L12-L73 HydrophobicContact CD1-CD2 4.36Å; L12-L73 PolarHBondContact N-O 2.9Å; L12-L73 PolarHBondContact O-N 3.02Å; L12-M75 HydrophobicContact CD1-SD 4.07Å; L12-M75 HydrophobicContact CG-SD 4.33Å; L12-Y86 HydrophobicContact CD1-CD1 3.82Å; L12-Y86 HydrophobicContact CD1-CD2 4.12Å; L12-Y86 HydrophobicContact CD1-CG 3.59Å
13	S	97.9	Very high	94.9	Very high	85 Å²	85	74.9 Å²	74.9	59%	0.594	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.2	146	171.4	55.7	0	0	0	0	110.1	L71	S13-L71 CarbonylContact C-O 3.55Å; S13-L71 WeakPolarHBondContact CA-O 3.37Å
14	C	97.7	Very high	95.5	Very high	21 Å²	21	70.7 Å²	70.7	14%	0.142	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	115	171.7	161.9	0	0	0	0	109.1	W28 T70 L71 C88	C14-W28 HydrophobicContact CB-CH2 3.93Å; C14-W28 HydrophobicContact CB-CZ2 4.18Å; C14-T70 CarbonylContact O-C 3.59Å; C14-T70 VanDerWaalsContact O-CA 3.28Å; C14-T70 WeakPolarHBondContact O-CA 3.41Å; C14-L71 HydrophobicContact CB-CB 4.48Å; C14-L71 PolarHBondContact N-O 2.77Å; C14-L71 PolarHBondContact O-N 2.79Å; C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.28Å; C14-C88 WeakPolarHBondContact SG-CB 3.37Å; C14-C88 CovalentContact SG-SG 2Å; C14-C88 PolarHBondContact SG-SG 3.09Å
15	A	97.6	Very high	95.8	Very high	81 Å²	81	72.5 Å²	72.5	67%	0.669	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	126	173.2	0	0	0	0	0	109.6
16	A	96.8	Very high	96.3	Very high	18 Å²	18	65.3 Å²	65.3	15%	0.149	40%	0.397	C	S	.	.			trans	-95.9	148.8	177.8	0	0	0	0	0	111.2	F19 F21 N69	A16-F19 HydrophobicContact CB-CE1 3.86Å; A16-F19 HydrophobicContact CB-CE2 4.43Å; A16-F19 HydrophobicContact CB-CZ 3.61Å; A16-F21 HydrophobicContact CB-CD2 3.59Å; A16-F21 HydrophobicContact CB-CE2 4.19Å; A16-F21 HydrophobicContact CB-CG 4.45Å; A16-N69 PolarHBondContact N-O 2.76Å
17	S	96.5	Very high	96.6	Very high	104 Å²	104	61.7 Å²	61.7	73%	0.727	37%	0.373	S	S	*	.			trans	-146.9	162.3	173.7	62	0	0	0	0	110.2	F19	S17-F19 WeakPolarHBondContact O-CD1 3.26Å
18	G	96.5	Very high	97	Very high	87 Å²	87	59.3 Å²	59.3	90%	0.897	35%	0.347	S	S	*	.	S	Bend	trans	83.1	5	178.5	0	0	0	0	0	115.5
19	F	95.3	Very high	97.2	Very high	56 Å²	56	59.3 Å²	59.3	25%	0.246	34%	0.342	C	S	.	.	S	Bend	trans	-156.7	164.4	172.8	63.1	-84.2	0	0	0	112.2	A16 S17 F21 Y24 M26 R90	A16-F19 HydrophobicContact CB-CE1 3.86Å; A16-F19 HydrophobicContact CB-CE2 4.43Å; A16-F19 HydrophobicContact CB-CZ 3.61Å; S17-F19 WeakPolarHBondContact O-CD1 3.26Å; F19-F21 HydrophobicContact CE2-CB 4.22Å; F19-F21 HydrophobicContact CE2-CD2 4.24Å; F19-F21 HydrophobicContact CZ-CD2 4.4Å; F19-F21 PolarHBondContact O-N 2.88Å; F19-Y24 AromaticContact CD2-CD2 3.81Å; F19-Y24 HydrophobicContact CD2-CD2 3.81Å; F19-Y24 HydrophobicContact CD2-CE2 4.16Å; F19-Y24 HydrophobicContact CE2-CD2 4.3Å; F19-M26 HydrophobicContact CE2-SD 4.03Å; F19-M26 HydrophobicContact CZ-CE 4.14Å; F19-M26 HydrophobicContact CZ-SD 4.16Å; F19-R90 HydrophobicContact CE2-CB 4.4Å; F19-R90 HydrophobicContact CE2-CG 4.39Å; F19-R90 VanDerWaalsContact CG-NH1 3.29Å; F19-R90 HydrophobicContact CZ-CB 4.21Å
20	D	96.4	Very high	97.2	Very high	67 Å²	67	57 Å²	57	36%	0.358	32%	0.322	S	S	.	.			trans	-74.3	90	172.2	-176	-5.9	0	0	0	110.3	S22 R23 Y24	D20-S22 PolarHBondContact O-N 3.47Å; D20-S22 VanDerWaalsContact O-N 3.14Å; D20-S22 WeakPolarHBondContact OD1-CB 3.47Å; D20-S22 PolarHBondContact OD1-N 3.06Å; D20-S22 VanDerWaalsContact OD1-N 3.15Å; D20-S22 PolarHBondContact OD1-OG 3.21Å; D20-R23 HydrophobicContact CB-CG 4.4Å; D20-R23 PolarHBondContact O-N 3.26Å; D20-R23 VanDerWaalsContact O-N 3.16Å; D20-R23 WeakPolarHBondContact OD2-CD 3.16Å; D20-R23 VanDerWaalsContact OD2-CG 3.3Å; D20-R23 WeakPolarHBondContact OD2-CG 3.41Å; D20-R23 IonicContact OD2-CZ 2.88Å; D20-R23 IonicContact OD2-NE 3.36Å; D20-R23 PolarHBondContact OD2-NE 3.07Å; D20-Y24 WeakPolarHBondContact O-CD2 3.25Å
21	F	97.4	Very high	97.4	Very high	1 Å²	1	58.4 Å²	58.4	0%	0.004	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-51.8	-35.5	-179.5	178.3	-95.9	0	0	0	112.9	A16 F19 R23 Y24 M26 R64 N66 N69 L71	A16-F21 HydrophobicContact CB-CD2 3.59Å; A16-F21 HydrophobicContact CB-CE2 4.19Å; A16-F21 HydrophobicContact CB-CG 4.45Å; F19-F21 HydrophobicContact CE2-CB 4.22Å; F19-F21 HydrophobicContact CE2-CD2 4.24Å; F19-F21 HydrophobicContact CZ-CD2 4.4Å; F19-F21 PolarHBondContact O-N 2.88Å; F21-R23 PolarHBondContact O-N 2.81Å; F21-R23 VanDerWaalsContact O-N 3.15Å; F21-Y24 PolarHBondContact O-N 2.82Å; F21-M26 HydrophobicContact CD2-CE 4.17Å; F21-M26 HydrophobicContact CD2-CG 4.07Å; F21-M26 HydrophobicContact CD2-SD 3.88Å; F21-M26 HydrophobicContact CE2-CE 3.87Å; F21-M26 HydrophobicContact CE2-CG 3.55Å; F21-M26 HydrophobicContact CE2-SD 3.84Å; F21-M26 HydrophobicContact CZ-CG 3.95Å; F21-R64 HydrophobicContact CE1-CB 4.13Å; F21-R64 HydrophobicContact CZ-CB 4.14Å; F21-R64 PolarHBondContact O-NH2 2.94Å; F21-N66 WeakPolarHBondContact CD1-OD1 3.5Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.41Å; F21-N69 HydrophobicContact CB-CB 3.95Å; F21-N69 WeakPolarHBondContact CB-OD1 3.12Å; F21-N69 HydrophobicContact CD1-CB 4.48Å; F21-N69 HydrophobicContact CG-CB 4.17Å; F21-L71 HydrophobicContact CE2-CB 4.29Å; F21-L71 HydrophobicContact CZ-CB 4.18Å
22	S	96.7	Very high	97.4	Very high	46 Å²	46	53.6 Å²	53.6	32%	0.322	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-65.9	-17.3	-175.4	76.3	0	0	0	0	113.9	D20 P45	D20-S22 PolarHBondContact O-N 3.47Å; D20-S22 VanDerWaalsContact O-N 3.14Å; D20-S22 WeakPolarHBondContact OD1-CB 3.47Å; D20-S22 PolarHBondContact OD1-N 3.06Å; D20-S22 VanDerWaalsContact OD1-N 3.15Å; D20-S22 PolarHBondContact OD1-OG 3.21Å; S22-P45 VanDerWaalsContact O-CB 3.28Å; S22-P45 WeakPolarHBondContact O-CB 3.41Å
23	R	97.1	Very high	97.3	Very high	187 Å²	187	58.3 Å²	58.3	71%	0.706	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-96	-8.5	-176.5	-68	-174.1	-172.1	-152.7	-5.7	115.1	D20 F21	D20-R23 HydrophobicContact CB-CG 4.4Å; D20-R23 PolarHBondContact O-N 3.26Å; D20-R23 VanDerWaalsContact O-N 3.16Å; D20-R23 WeakPolarHBondContact OD2-CD 3.16Å; D20-R23 VanDerWaalsContact OD2-CG 3.3Å; D20-R23 WeakPolarHBondContact OD2-CG 3.41Å; D20-R23 IonicContact OD2-CZ 2.88Å; D20-R23 IonicContact OD2-NE 3.36Å; D20-R23 PolarHBondContact OD2-NE 3.07Å; F21-R23 PolarHBondContact O-N 2.81Å; F21-R23 VanDerWaalsContact O-N 3.15Å
24	Y	97.6	Very high	97.2	Very high	103 Å²	103	58.8 Å²	58.8	40%	0.404	36%	0.359	S	S	.	.	S	Bend	trans	-115.6	150.7	-173.1	-61.8	-86.1	0	0	0	112.8	F19 D20 F21 R64 R90	F19-Y24 AromaticContact CD2-CD2 3.81Å; F19-Y24 HydrophobicContact CD2-CD2 3.81Å; F19-Y24 HydrophobicContact CD2-CE2 4.16Å; F19-Y24 HydrophobicContact CE2-CD2 4.3Å; D20-Y24 WeakPolarHBondContact O-CD2 3.25Å; F21-Y24 PolarHBondContact O-N 2.82Å; Y24-R64 PolarHBondContact O-NH1 2.89Å; Y24-R90 HydrophobicContact CD1-CG 4.08Å; Y24-R90 HydrophobicContact CG-CG 3.88Å
25	W	98.3	Very high	97.1	Very high	91 Å²	91	63.6 Å²	63.6	35%	0.345	38%	0.378	S	S	.	.			trans	-64.6	146.2	160.2	-72.6	64.5	0	0	0	108.7	E42 I43 N44 M49	W25-E42 HydrophobicContact CE3-CB 4.26Å; W25-E42 HydrophobicContact CE3-CG 3.47Å; W25-E42 VanDerWaalsContact CE3-CG 3.47Å; W25-E42 HydrophobicContact CZ3-CG 3.62Å; W25-I43 WeakPolarHBondContact CA-O 3.41Å; W25-N44 HydrophobicContact CD2-CB 3.7Å; W25-N44 HydrophobicContact CE3-CB 4.02Å; W25-N44 HydrophobicContact CG-CB 4.35Å; W25-N44 HydrophobicContact CH2-CB 3.83Å; W25-N44 HydrophobicContact CZ2-CB 3.46Å; W25-N44 VanDerWaalsContact CZ2-CB 3.46Å; W25-N44 HydrophobicContact CZ3-CB 4.09Å; W25-M49 HydrophobicContact CH2-CB 4.02Å; W25-M49 HydrophobicContact CH2-SD 4.24Å
26	M	98.6	Very high	97.1	Very high	5 Å²	5	62.1 Å²	62.1	3%	0.025	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	128.5	-178.6	-63	-59.5	-51.4	0	0	109	F19 F21 E42 I43 L71 A89 R90	F19-M26 HydrophobicContact CE2-SD 4.03Å; F19-M26 HydrophobicContact CZ-CE 4.14Å; F19-M26 HydrophobicContact CZ-SD 4.16Å; F21-M26 HydrophobicContact CD2-CE 4.17Å; F21-M26 HydrophobicContact CD2-CG 4.07Å; F21-M26 HydrophobicContact CD2-SD 3.88Å; F21-M26 HydrophobicContact CE2-CE 3.87Å; F21-M26 HydrophobicContact CE2-CG 3.55Å; F21-M26 HydrophobicContact CE2-SD 3.84Å; F21-M26 HydrophobicContact CZ-CG 3.95Å; M26-E42 CarbonylContact O-C 3.46Å; M26-E42 WeakPolarHBondContact O-CA 3.36Å; M26-I43 HydrophobicContact CB-CG2 4.31Å; M26-I43 PolarHBondContact N-O 2.99Å; M26-I43 PolarHBondContact O-N 2.83Å; M26-L71 HydrophobicContact CB-CD1 3.76Å; M26-L71 HydrophobicContact CB-CD2 3.93Å; M26-L71 HydrophobicContact CB-CG 4.37Å; M26-A89 WeakPolarHBondContact CA-O 3.16Å; M26-A89 WeakPolarHBondContact CE-O 3.24Å; M26-R90 HydrophobicContact CE-CB 4.1Å; M26-R90 HydrophobicContact SD-CB 3.92Å; M26-R90 HydrophobicContact SD-CG 4.24Å
27	S	98.4	Very high	97.1	Very high	14 Å²	14	67 Å²	67	10%	0.098	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	151	-176.3	-75.9	0	0	0	0	112.1	W39 G41 E42 C88 A89	S27-W39 PolarHBondContact OG-NE1 2.67Å; S27-G41 CarbonylContact C-O 3.53Å; S27-G41 WeakPolarHBondContact CA-O 3.47Å; S27-E42 WeakPolarHBondContact OG-CB 3.46Å; S27-C88 CarbonylContact O-C 3.5Å; S27-C88 VanDerWaalsContact O-CA 3.31Å; S27-C88 WeakPolarHBondContact O-CA 3.3Å; S27-A89 PolarHBondContact N-O 2.75Å; S27-A89 PolarHBondContact O-N 3.25Å
28	W	98.5	Very high	97.1	Very high	6 Å²	6	64.8 Å²	64.8	2%	0.023	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	136.4	159.2	-79	99.3	0	0	0	110	L12 C14 I40 G41 L71 Y72 L73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 3.88Å; L12-W28 HydrophobicContact CB-CZ2 4.34Å; L12-W28 HydrophobicContact CB-CZ3 4.43Å; L12-W28 HydrophobicContact CD1-CZ3 4.34Å; C14-W28 HydrophobicContact CB-CH2 3.93Å; C14-W28 HydrophobicContact CB-CZ2 4.18Å; W28-I40 HydrophobicContact CB-CB 4.02Å; W28-I40 HydrophobicContact CB-CD1 4.1Å; W28-I40 HydrophobicContact CB-CG2 4.36Å; W28-I40 WeakPolarHBondContact O-CB 3.39Å; W28-I40 PolarHBondContact O-N 3.25Å; W28-G41 PolarHBondContact N-O 2.79Å; W28-L71 HydrophobicContact CD2-CD2 4.26Å; W28-L71 HydrophobicContact CG-CD2 4.2Å; W28-L71 HydrophobicContact CZ2-CD2 4.28Å; W28-L71 HydrophobicContact CZ2-CG 4.33Å; W28-L71 VanDerWaalsContact NE1-CG 3.34Å; W28-Y72 PolarHBondContact NE1-O 3.28Å; W28-L73 HydrophobicContact CD2-CB 3.89Å; W28-L73 HydrophobicContact CD2-CD2 4.2Å; W28-L73 HydrophobicContact CE3-CD2 4.43Å; W28-L73 HydrophobicContact CG-CB 4.16Å; W28-L73 HydrophobicContact CG-CD1 4.23Å; W28-L73 HydrophobicContact CG-CD2 4.24Å; W28-L73 HydrophobicContact CG-CG 4.46Å; W28-L73 HydrophobicContact CZ2-CB 3.92Å; W28-Y87 WeakPolarHBondContact CA-O 3.19Å; W28-C88 HydrophobicContact CZ3-CB 4.48Å
29	V	98.3	Very high	97.2	Very high	23 Å²	23	65.2 Å²	65.2	14%	0.139	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	145.1	176.9	-175.5	0	0	0	0	107.6	L37 E38 Y87	V29-L37 HydrophobicContact CG1-CB 3.81Å; V29-L37 HydrophobicContact CG1-CD2 3.8Å; V29-L37 HydrophobicContact CG1-CG 4.3Å; V29-E38 CarbonylContact C-O 3.54Å; V29-E38 WeakPolarHBondContact CA-O 3.5Å; V29-E38 WeakPolarHBondContact CG1-O 3.31Å; V29-Y87 PolarHBondContact N-O 2.77Å; V29-Y87 PolarHBondContact O-N 3.02Å
30	R	97.3	Very high	97.3	Very high	28 Å²	28	62.6 Å²	62.6	11%	0.106	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	157.8	172.5	68.2	178.6	-172	-174.9	1.7	112.4	E38 I40 D82 A84 L85 Y86	R30-E38 HydrophobicContact CG-CB 3.96Å; R30-E38 IonicContact CZ-OE2 2.67Å; R30-E38 PolarHBondContact N-O 2.78Å; R30-E38 IonicContact NE-OE2 3.43Å; R30-E38 PolarHBondContact NE-OE2 2.91Å; R30-E38 IonicContact NH2-OE2 3.28Å; R30-E38 PolarHBondContact NH2-OE2 3.06Å; R30-E38 PolarHBondContact O-N 2.91Å; R30-I40 HydrophobicContact CB-CD1 3.88Å; R30-I40 HydrophobicContact CB-CG1 4.46Å; R30-I40 HydrophobicContact CG-CD1 4.05Å; R30-I40 HydrophobicContact CG-CG1 4.13Å; R30-D82 IonicContact NH1-OD1 3.71Å; R30-D82 PolarHBondContact NH1-OD1 3.09Å; R30-A84 HydrophobicContact CB-CB 3.87Å; R30-A84 HydrophobicContact CG-CB 4.34Å; R30-L85 CarbonylContact C-O 3.43Å; R30-L85 WeakPolarHBondContact CA-O 3.23Å; R30-L85 WeakPolarHBondContact CB-O 3.31Å; R30-Y86 HydrophobicContact CB-CD1 4.07Å; R30-Y86 HydrophobicContact CB-CE1 4.04Å; R30-Y86 HydrophobicContact CB-CG 4.35Å
31	Q	97.8	Very high	97.4	Very high	70 Å²	70	59.4 Å²	59.4	33%	0.327	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	109	174.2	-168.2	178.4	22.5	0	0	109.9	K35 L37 A84 L85 Y87	Q31-K35 WeakPolarHBondContact CG-O 3.33Å; Q31-K35 PolarHBondContact NE2-O 2.86Å; Q31-L37 HydrophobicContact CB-CD2 4.11Å; Q31-A84 WeakPolarHBondContact O-CA 3.44Å; Q31-A84 WeakPolarHBondContact O-CB 3.46Å; Q31-L85 PolarHBondContact N-O 3.32Å; Q31-L85 PolarHBondContact O-N 2.71Å; Q31-Y87 HydrophobicContact CB-CE2 3.93Å
32	A	96.9	Very high	97.4	Very high	15 Å²	15	61.6 Å²	61.6	12%	0.124	33%	0.328	C	S	.	.			trans	-76.7	153.9	171.9	0	0	0	0	0	110.4	G34 K35 A84	A32-G34 PolarHBondContact O-N 3.4Å; A32-K35 HydrophobicContact CB-CB 4.2Å; A32-K35 HydrophobicContact CB-CD 4.02Å; A32-K35 HydrophobicContact CB-CG 4.14Å; A32-K35 PolarHBondContact O-N 3.01Å; A32-A84 HydrophobicContact CB-CB 4.38Å
33	P	95.7	Very high	97.5	Very high	117 Å²	117	59.5 Å²	59.5	76%	0.76	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	128	175.8	-26	35	0	0	0	111.8	K35	P33-K35 PolarHBondContact O-N 3.17Å
34	G	96.2	Very high	97.6	Very high	95 Å²	95	51.3 Å²	51.3	98%	0.979	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	4.6	-178.9	0	0	0	0	0	115.5	A32	A32-G34 PolarHBondContact O-N 3.4Å
35	K	95.6	Very high	97.6	Very high	121 Å²	121	48 Å²	48	53%	0.526	28%	0.275	S	S	.	.			trans	-110.6	161	175.8	-61.6	-162.5	-177.2	179	0	112.4	Q31 A32 P33 E38	Q31-K35 WeakPolarHBondContact CG-O 3.33Å; Q31-K35 PolarHBondContact NE2-O 2.86Å; A32-K35 HydrophobicContact CB-CB 4.2Å; A32-K35 HydrophobicContact CB-CD 4.02Å; A32-K35 HydrophobicContact CB-CG 4.14Å; A32-K35 PolarHBondContact O-N 3.01Å; P33-K35 PolarHBondContact O-N 3.17Å; K35-E38 WeakPolarHBondContact CD-OE1 3.34Å; K35-E38 IonicContact NZ-OE1 3.89Å
36	G	96.4	Very high	97.6	Very high	51 Å²	51	48.9 Å²	48.9	53%	0.526	29%	0.286	S	S	.	.			trans	-71.6	-178.2	169	0	0	0	0	0	112.8
37	L	97.1	Very high	97.5	Very high	121 Å²	121	51.1 Å²	51.1	63%	0.634	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	128	173.3	-68.1	170.5	0	0	0	110.2	V29 Q31 Y87	V29-L37 HydrophobicContact CG1-CB 3.81Å; V29-L37 HydrophobicContact CG1-CD2 3.8Å; V29-L37 HydrophobicContact CG1-CG 4.3Å; Q31-L37 HydrophobicContact CB-CD2 4.11Å; L37-Y87 HydrophobicContact CD2-CD2 4.27Å; L37-Y87 HydrophobicContact CD2-CE2 4.25Å
38	E	97.3	Very high	97.5	Very high	57 Å²	57	59.7 Å²	59.7	27%	0.266	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	119.3	175.5	-65.5	178.8	-176.7	0	0	109	V29 R30 K35	V29-E38 CarbonylContact C-O 3.54Å; V29-E38 WeakPolarHBondContact CA-O 3.5Å; V29-E38 WeakPolarHBondContact CG1-O 3.31Å; R30-E38 HydrophobicContact CG-CB 3.96Å; R30-E38 IonicContact CZ-OE2 2.67Å; R30-E38 PolarHBondContact N-O 2.78Å; R30-E38 IonicContact NE-OE2 3.43Å; R30-E38 PolarHBondContact NE-OE2 2.91Å; R30-E38 IonicContact NH2-OE2 3.28Å; R30-E38 PolarHBondContact NH2-OE2 3.06Å; R30-E38 PolarHBondContact O-N 2.91Å; K35-E38 WeakPolarHBondContact CD-OE1 3.34Å; K35-E38 IonicContact NZ-OE1 3.89Å
39	W	97.9	Very high	97.4	Very high	96 Å²	96	64 Å²	64	36%	0.364	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	137.3	174.2	-177.8	84.6	0	0	0	110.7	S27 G41 E42 N51 T53	S27-W39 PolarHBondContact OG-NE1 2.67Å; W39-G41 VanDerWaalsContact CZ2-C 3.46Å; W39-E42 HydrophobicContact CZ2-CB 3.95Å; W39-E42 HydrophobicContact CZ2-CG 3.74Å; W39-N51 HydrophobicContact CH2-CB 3.72Å; W39-N51 HydrophobicContact CZ2-CB 4.24Å; W39-T53 PolarHBondContact O-OG1 2.85Å
40	I	97.9	Very high	97.4	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-45.2	179.7	-68.2	167.8	0	0	0	110.7	W28 R30 Y52 T53 L56 F60 L73 Y86	W28-I40 HydrophobicContact CB-CB 4.02Å; W28-I40 HydrophobicContact CB-CD1 4.1Å; W28-I40 HydrophobicContact CB-CG2 4.36Å; W28-I40 WeakPolarHBondContact O-CB 3.39Å; W28-I40 PolarHBondContact O-N 3.25Å; R30-I40 HydrophobicContact CB-CD1 3.88Å; R30-I40 HydrophobicContact CB-CG1 4.46Å; R30-I40 HydrophobicContact CG-CD1 4.05Å; R30-I40 HydrophobicContact CG-CG1 4.13Å; I40-Y52 WeakPolarHBondContact O-CA 3.34Å; I40-T53 PolarHBondContact O-N 3.01Å; I40-L56 HydrophobicContact CB-CD1 4.2Å; I40-L56 HydrophobicContact CG1-CD1 3.93Å; I40-L56 HydrophobicContact CG2-CD1 3.94Å; I40-F60 HydrophobicContact CG2-CD2 3.86Å; I40-L73 HydrophobicContact CD1-CD2 4.1Å; I40-L73 HydrophobicContact CG2-CD1 4.26Å; I40-Y86 HydrophobicContact CD1-CD1 3.63Å; I40-Y86 HydrophobicContact CD1-CE1 3.46Å; I40-Y86 VanDerWaalsContact CD1-CE1 3.46Å
41	G	98.3	Very high	97.4	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.1	170.8	-170.6	0	0	0	0	0	111.5	S27 W28 W39 N51	S27-G41 CarbonylContact C-O 3.53Å; S27-G41 WeakPolarHBondContact CA-O 3.47Å; W28-G41 PolarHBondContact N-O 2.79Å; W39-G41 VanDerWaalsContact CZ2-C 3.46Å; G41-N51 CarbonylContact C-O 3.57Å; G41-N51 WeakPolarHBondContact CA-O 3.01Å
42	E	98.5	Very high	97.4	Very high	47 Å²	47	66.3 Å²	66.3	22%	0.22	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	156.3	179.2	71.7	-174.2	151.2	0	0	111.2	W25 M26 S27 W39 I50 N51	W25-E42 HydrophobicContact CE3-CB 4.26Å; W25-E42 HydrophobicContact CE3-CG 3.47Å; W25-E42 VanDerWaalsContact CE3-CG 3.47Å; W25-E42 HydrophobicContact CZ3-CG 3.62Å; M26-E42 CarbonylContact O-C 3.46Å; M26-E42 WeakPolarHBondContact O-CA 3.36Å; S27-E42 WeakPolarHBondContact OG-CB 3.46Å; W39-E42 HydrophobicContact CZ2-CB 3.95Å; W39-E42 HydrophobicContact CZ2-CG 3.74Å; E42-I50 VanDerWaalsContact O-CA 3.31Å; E42-I50 WeakPolarHBondContact O-CA 3.47Å; E42-I50 VanDerWaalsContact O-CG2 3.22Å; E42-I50 WeakPolarHBondContact O-CG2 3.37Å; E42-N51 HydrophobicContact CG-CB 4.09Å; E42-N51 PolarHBondContact N-O 2.94Å; E42-N51 PolarHBondContact O-N 3.07Å; E42-N51 PolarHBondContact OE1-ND2 2.99Å
43	I	98.7	Very high	97.4	Very high	2 Å²	2	67.4 Å²	67.4	1%	0.01	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	134.8	178.6	-175	160.6	0	0	0	110.1	W25 M26 I50 I62 R64 L71	W25-I43 WeakPolarHBondContact CA-O 3.41Å; M26-I43 HydrophobicContact CB-CG2 4.31Å; M26-I43 PolarHBondContact N-O 2.99Å; M26-I43 PolarHBondContact O-N 2.83Å; I43-I50 HydrophobicContact CB-CG1 4.48Å; I43-I50 HydrophobicContact CB-CG2 4.39Å; I43-I50 HydrophobicContact CD1-CD1 3.89Å; I43-I50 HydrophobicContact CD1-CG1 4Å; I43-I50 HydrophobicContact CG1-CD1 4.46Å; I43-I50 HydrophobicContact CG1-CG1 4.01Å; I43-I62 HydrophobicContact CB-CG2 3.83Å; I43-I62 HydrophobicContact CD1-CG2 4.47Å; I43-I62 HydrophobicContact CG2-CG2 3.57Å; I43-R64 HydrophobicContact CD1-CG 4.03Å; I43-R64 HydrophobicContact CG1-CG 4.43Å; I43-R64 HydrophobicContact CG2-CB 4.48Å; I43-L71 HydrophobicContact CG2-CD1 3.53Å
44	N	98.3	Very high	97.4	Very high	15 Å²	15	67.2 Å²	67.2	8%	0.08	37%	0.372	C	S	.	.			trans	-77.1	166.5	179	79.2	-29.9	0	0	0	112	W25 D46 S47 Y48 M49 R64	W25-N44 HydrophobicContact CD2-CB 3.7Å; W25-N44 HydrophobicContact CE3-CB 4.02Å; W25-N44 HydrophobicContact CG-CB 4.35Å; W25-N44 HydrophobicContact CH2-CB 3.83Å; W25-N44 HydrophobicContact CZ2-CB 3.46Å; W25-N44 VanDerWaalsContact CZ2-CB 3.46Å; W25-N44 HydrophobicContact CZ3-CB 4.09Å; N44-D46 PolarHBondContact ND2-OD1 2.88Å; N44-D46 PolarHBondContact O-N 2.78Å; N44-D46 PolarHBondContact OD1-OD1 2.85Å; N44-S47 PolarHBondContact O-N 3.33Å; N44-S47 VanDerWaalsContact O-N 3.15Å; N44-S47 VanDerWaalsContact OD1-CA 3.31Å; N44-S47 WeakPolarHBondContact OD1-CA 3.38Å; N44-S47 PolarHBondContact OD1-N 2.88Å; N44-S47 VanDerWaalsContact OD1-N 3.11Å; N44-Y48 PolarHBondContact OD1-N 2.99Å; N44-M49 HydrophobicContact CB-CB 4.26Å; N44-M49 PolarHBondContact N-O 3.45Å; N44-M49 VanDerWaalsContact N-O 3.08Å; N44-M49 PolarHBondContact OD1-N 3.36Å; N44-M49 PolarHBondContact OD1-O 3.13Å; N44-M49 VanDerWaalsContact OD1-O 3.09Å; N44-R64 VanDerWaalsContact C-NH1 3.31Å; N44-R64 WeakPolarHBondContact O-CD 3.37Å; N44-R64 PolarHBondContact O-NH1 2.89Å
45	P	98.3	Very high	97.2	Very high	33 Å²	33	67 Å²	67	21%	0.214	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-42.9	-47.8	178.9	-41.7	44.6	0	0	0	117.6	S22 R64 N66	S22-P45 VanDerWaalsContact O-CB 3.28Å; S22-P45 WeakPolarHBondContact O-CB 3.41Å; P45-R64 PolarHBondContact O-NE 2.92Å; P45-N66 PolarHBondContact O-ND2 2.86Å; P45-N66 VanDerWaalsContact O-ND2 3.09Å
46	D	96.8	Very high	97.1	Very high	111 Å²	111	61.4 Å²	61.4	59%	0.594	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	1.9	-174.6	62.2	15.6	0	0	0	113.1	N44 Y48	N44-D46 PolarHBondContact ND2-OD1 2.88Å; N44-D46 PolarHBondContact O-N 2.78Å; N44-D46 PolarHBondContact OD1-OD1 2.85Å; D46-Y48 PolarHBondContact O-N 3.43Å; D46-Y48 WeakPolarHBondContact OD1-CB 2.98Å; D46-Y48 PolarHBondContact OD1-N 2.93Å
47	S	97.3	Very high	96.9	Very high	52 Å²	52	65.3 Å²	65.3	36%	0.364	33%	0.334	S	S	.	.	S	Bend	trans	63.4	12.9	-177.2	-47.5	0	0	0	0	115.3	N44 R64	N44-S47 PolarHBondContact O-N 3.33Å; N44-S47 VanDerWaalsContact O-N 3.15Å; N44-S47 VanDerWaalsContact OD1-CA 3.31Å; N44-S47 WeakPolarHBondContact OD1-CA 3.38Å; N44-S47 PolarHBondContact OD1-N 2.88Å; N44-S47 VanDerWaalsContact OD1-N 3.11Å; S47-R64 WeakPolarHBondContact OG-CD 3.15Å; S47-R64 VanDerWaalsContact OG-CG 3.23Å; S47-R64 WeakPolarHBondContact OG-CG 3.4Å
48	Y	97.6	Very high	96.8	Very high	193 Å²	193	67 Å²	67	76%	0.757	34%	0.343	S	S	*	.	S	Bend	trans	-73.5	-37.5	177.4	180	-107.2	0	0	0	112.6	N44 D46	N44-Y48 PolarHBondContact OD1-N 2.99Å; D46-Y48 PolarHBondContact O-N 3.43Å; D46-Y48 WeakPolarHBondContact OD1-CB 2.98Å; D46-Y48 PolarHBondContact OD1-N 2.93Å
49	M	98	Very high	96.7	Very high	98 Å²	98	65.3 Å²	65.3	48%	0.483	34%	0.335	S	S	.	.			trans	-109.6	131.5	176.8	-94.1	-174.2	-168.3	0	0	111.3	W25 N44	W25-M49 HydrophobicContact CH2-CB 4.02Å; W25-M49 HydrophobicContact CH2-SD 4.24Å; N44-M49 HydrophobicContact CB-CB 4.26Å; N44-M49 PolarHBondContact N-O 3.45Å; N44-M49 VanDerWaalsContact N-O 3.08Å; N44-M49 PolarHBondContact OD1-N 3.36Å; N44-M49 PolarHBondContact OD1-O 3.13Å; N44-M49 VanDerWaalsContact OD1-O 3.09Å
50	I	98.1	Very high	96.7	Very high	61 Å²	61	60.8 Å²	60.8	31%	0.313	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	119.7	171.2	-41.6	179.3	0	0	0	108.7	E42 I43 Y52 I62	E42-I50 VanDerWaalsContact O-CA 3.31Å; E42-I50 WeakPolarHBondContact O-CA 3.47Å; E42-I50 VanDerWaalsContact O-CG2 3.22Å; E42-I50 WeakPolarHBondContact O-CG2 3.37Å; I43-I50 HydrophobicContact CB-CG1 4.48Å; I43-I50 HydrophobicContact CB-CG2 4.39Å; I43-I50 HydrophobicContact CD1-CD1 3.89Å; I43-I50 HydrophobicContact CD1-CG1 4Å; I43-I50 HydrophobicContact CG1-CD1 4.46Å; I43-I50 HydrophobicContact CG1-CG1 4.01Å; I50-Y52 HydrophobicContact CB-CD2 4.49Å; I50-Y52 HydrophobicContact CB-CE2 3.78Å; I50-Y52 HydrophobicContact CG2-CD2 3.99Å; I50-Y52 HydrophobicContact CG2-CE1 4.35Å; I50-Y52 HydrophobicContact CG2-CE2 3.23Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.45Å; I50-Y52 WeakPolarHBondContact CG2-OH 3.01Å; I50-I62 HydrophobicContact CG2-CB 4.18Å
51	N	97.8	Very high	96.7	Very high	68 Å²	68	64.8 Å²	64.8	36%	0.364	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	147.3	173.8	-58.7	-40.9	0	0	0	109.5	W39 G41 E42	W39-N51 HydrophobicContact CH2-CB 3.72Å; W39-N51 HydrophobicContact CZ2-CB 4.24Å; G41-N51 CarbonylContact C-O 3.57Å; G41-N51 WeakPolarHBondContact CA-O 3.01Å; E42-N51 HydrophobicContact CG-CB 4.09Å; E42-N51 PolarHBondContact N-O 2.94Å; E42-N51 PolarHBondContact O-N 3.07Å; E42-N51 PolarHBondContact OE1-ND2 2.99Å
52	Y	97.6	Very high	96.7	Very high	40 Å²	40	64.9 Å²	64.9	16%	0.157	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	152.4	-178.8	-70.5	-88.6	0	0	0	111	I40 I50 P54 K57 F60 I62	I40-Y52 WeakPolarHBondContact O-CA 3.34Å; I50-Y52 HydrophobicContact CB-CD2 4.49Å; I50-Y52 HydrophobicContact CB-CE2 3.78Å; I50-Y52 HydrophobicContact CG2-CD2 3.99Å; I50-Y52 HydrophobicContact CG2-CE1 4.35Å; I50-Y52 HydrophobicContact CG2-CE2 3.23Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.45Å; I50-Y52 WeakPolarHBondContact CG2-OH 3.01Å; Y52-P54 WeakPolarHBondContact O-CD 3.25Å; Y52-K57 HydrophobicContact CD2-CG 4.07Å; Y52-K57 HydrophobicContact CG-CB 4.29Å; Y52-K57 HydrophobicContact CG-CG 4.24Å; Y52-F60 VanDerWaalsContact CE1-O 3.28Å; Y52-F60 WeakPolarHBondContact CE1-O 3.47Å; Y52-I62 HydrophobicContact CD1-CD1 4.31Å; Y52-I62 HydrophobicContact CE1-CB 4.41Å; Y52-I62 HydrophobicContact CE1-CD1 3.87Å; Y52-I62 HydrophobicContact CE1-CG1 3.79Å; Y52-I62 PolarHBondContact OH-N 2.9Å
53	T	96.6	Very high	96.7	Very high	37 Å²	37	64.5 Å²	64.5	23%	0.227	34%	0.341	C	S	.	.			trans	-61	123	156.1	-67.3	0	0	0	0	108.3	W39 I40 S55 L56 K57	W39-T53 PolarHBondContact O-OG1 2.85Å; I40-T53 PolarHBondContact O-N 3.01Å; T53-S55 PolarHBondContact O-N 3.13Å; T53-L56 HydrophobicContact CG2-CG 4.46Å; T53-L56 PolarHBondContact O-N 2Å; T53-K57 PolarHBondContact O-N 2.8Å
54	P	94.5	Very high	96.7	Very high	113 Å²	113	65.7 Å²	65.7	73%	0.734	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-37.1	-170.6	-31.6	36.4	0	0	0	114.7	Y52 L56	Y52-P54 WeakPolarHBondContact O-CD 3.25Å; P54-L56 PolarHBondContact O-N 2.84Å
55	S	92.5	Very high	96.7	Very high	90 Å²	90	66.9 Å²	66.9	63%	0.629	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-13.6	-179.7	61.4	0	0	0	0	114.8	T53	T53-S55 PolarHBondContact O-N 3.13Å
56	L	94.3	Very high	96.6	Very high	5 Å²	5	68.2 Å²	68.2	3%	0.026	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-17.4	-177.1	-60.1	-179.2	0	0	0	113.3	I40 T53 P54 D58 R59 F60	I40-L56 HydrophobicContact CB-CD1 4.2Å; I40-L56 HydrophobicContact CG1-CD1 3.93Å; I40-L56 HydrophobicContact CG2-CD1 3.94Å; T53-L56 HydrophobicContact CG2-CG 4.46Å; T53-L56 PolarHBondContact O-N 2Å; P54-L56 PolarHBondContact O-N 2.84Å; L56-D58 VanDerWaalsContact C-N 3.26Å; L56-D58 PolarHBondContact O-N 3.22Å; L56-D58 VanDerWaalsContact O-N 3.13Å; L56-R59 PolarHBondContact O-N 3.02Å; L56-F60 HydrophobicContact CB-CD2 4.19Å; L56-F60 HydrophobicContact CB-CG 4.42Å; L56-F60 HydrophobicContact CD1-CD2 4.14Å; L56-F60 HydrophobicContact CD1-CE2 4.07Å; L56-F60 HydrophobicContact CD2-CD2 4.37Å; L56-F60 HydrophobicContact CD2-CE2 4.02Å; L56-F60 HydrophobicContact CD2-CZ 4.17Å; L56-F60 HydrophobicContact CG-CD2 4.47Å; L56-F60 HydrophobicContact CG-CE2 4.48Å; L56-F60 PolarHBondContact O-N 2.83Å
57	K	92.2	Very high	96.7	Very high	133 Å²	133	67.6 Å²	67.6	58%	0.578	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-36.7	-171.5	-173.7	177.9	179.2	-179.8	0	114.3	Y52 T53 R59	Y52-K57 HydrophobicContact CD2-CG 4.07Å; Y52-K57 HydrophobicContact CG-CB 4.29Å; Y52-K57 HydrophobicContact CG-CG 4.24Å; T53-K57 PolarHBondContact O-N 2.8Å; K57-R59 VanDerWaalsContact C-N 3.34Å
58	D	94.3	Very high	96.7	Very high	155 Å²	155	71.2 Å²	71.2	83%	0.829	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-12	-176.4	-60.3	-29.9	0	0	0	113.7	L56	L56-D58 VanDerWaalsContact C-N 3.26Å; L56-D58 PolarHBondContact O-N 3.22Å; L56-D58 VanDerWaalsContact O-N 3.13Å
59	R	96.1	Very high	96.7	Very high	23 Å²	23	65 Å²	65	9%	0.087	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113	-32.7	-173.3	-60.6	-168	-56.2	116	0.4	112	L56 K57 S76 K77 D82	L56-R59 PolarHBondContact O-N 3.02Å; K57-R59 VanDerWaalsContact C-N 3.34Å; R59-S76 PolarHBondContact O-N 3.07Å; R59-K77 PolarHBondContact NH1-O 2.78Å; R59-K77 VanDerWaalsContact NH1-O 3.17Å; R59-D82 IonicContact CZ-OD1 2.77Å; R59-D82 IonicContact CZ-OD2 2.86Å; R59-D82 IonicContact NH1-OD1 2.75Å; R59-D82 IonicContact NH1-OD2 3.01Å; R59-D82 PolarHBondContact NH1-OD2 2.61Å; R59-D82 IonicContact NH2-OD1 3.74Å; R59-D82 PolarHBondContact NH2-OD1 3.26Å; R59-D82 IonicContact NH2-OD2 3.77Å; R59-D82 PolarHBondContact NH2-OD2 3.15Å
60	F	97	Very high	96.7	Very high	0 Å²	0	61 Å²	61	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	134.9	-172.7	-68	10.8	0	0	0	109.8	I40 Y52 L56 L73 Q74 M75 D82 Y86	I40-F60 HydrophobicContact CG2-CD2 3.86Å; Y52-F60 VanDerWaalsContact CE1-O 3.28Å; Y52-F60 WeakPolarHBondContact CE1-O 3.47Å; L56-F60 HydrophobicContact CB-CD2 4.19Å; L56-F60 HydrophobicContact CB-CG 4.42Å; L56-F60 HydrophobicContact CD1-CD2 4.14Å; L56-F60 HydrophobicContact CD1-CE2 4.07Å; L56-F60 HydrophobicContact CD2-CD2 4.37Å; L56-F60 HydrophobicContact CD2-CE2 4.02Å; L56-F60 HydrophobicContact CD2-CZ 4.17Å; L56-F60 HydrophobicContact CG-CD2 4.47Å; L56-F60 HydrophobicContact CG-CE2 4.48Å; L56-F60 PolarHBondContact O-N 2.83Å; F60-L73 HydrophobicContact CB-CD1 4.1Å; F60-L73 HydrophobicContact CD2-CD1 4.34Å; F60-L73 HydrophobicContact CD2-CD2 4.27Å; F60-Q74 CarbonylContact C-O 3.5Å; F60-Q74 VanDerWaalsContact CA-O 3.27Å; F60-Q74 WeakPolarHBondContact CA-O 3.28Å; F60-M75 HydrophobicContact CD1-CB 3.88Å; F60-M75 HydrophobicContact CD1-CG 3.86Å; F60-M75 HydrophobicContact CD2-CG 4.3Å; F60-M75 HydrophobicContact CE1-CB 3.85Å; F60-M75 HydrophobicContact CE1-CE 3.98Å; F60-M75 HydrophobicContact CE1-CG 3.89Å; F60-M75 HydrophobicContact CE2-CE 4.2Å; F60-M75 HydrophobicContact CE2-CG 4.3Å; F60-M75 HydrophobicContact CG-CG 4.12Å; F60-M75 HydrophobicContact CZ-CB 4.5Å; F60-M75 HydrophobicContact CZ-CE 3.61Å; F60-M75 HydrophobicContact CZ-CG 4.12Å; F60-D82 HydrophobicContact CZ-CB 4.25Å; F60-Y86 HydrophobicContact CE2-CE1 4.32Å
61	I	97.8	Very high	96.8	Very high	85 Å²	85	58.1 Å²	58.1	44%	0.436	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	117.4	179.1	-59.3	172.2	0	0	0	107.9	Q74	I61-Q74 HydrophobicContact CB-CB 4.3Å; I61-Q74 PolarHBondContact N-O 3.48Å; I61-Q74 PolarHBondContact O-N 2.78Å
62	I	98.4	Very high	96.8	Very high	2 Å²	2	57 Å²	57	1%	0.01	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	135.2	172	-59	172.3	0	0	0	108.3	I43 I50 Y52 L71 Y72 L73	I43-I62 HydrophobicContact CB-CG2 3.83Å; I43-I62 HydrophobicContact CD1-CG2 4.47Å; I43-I62 HydrophobicContact CG2-CG2 3.57Å; I50-I62 HydrophobicContact CG2-CB 4.18Å; Y52-I62 HydrophobicContact CD1-CD1 4.31Å; Y52-I62 HydrophobicContact CE1-CB 4.41Å; Y52-I62 HydrophobicContact CE1-CD1 3.87Å; Y52-I62 HydrophobicContact CE1-CG1 3.79Å; Y52-I62 PolarHBondContact OH-N 2.9Å; I62-L71 HydrophobicContact CG2-CD1 3.97Å; I62-Y72 WeakPolarHBondContact CA-O 3.28Å; I62-L73 HydrophobicContact CG1-CD1 3.66Å
63	S	98.4	Very high	96.8	Very high	39 Å²	39	55 Å²	55	27%	0.273	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	161.6	173.5	52.6	0	0	0	0	110	Y72	S63-Y72 PolarHBondContact N-O 2.77Å; S63-Y72 VanDerWaalsContact N-O 3.07Å; S63-Y72 PolarHBondContact O-N 2.76Å
64	R	98.4	Very high	96.9	Very high	26 Å²	26	57.1 Å²	57.1	10%	0.098	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	151.5	-177.8	61.5	-175.6	-66.8	160.6	2.9	111.3	F21 Y24 I43 N44 P45 S47 N66 T70 L71	F21-R64 HydrophobicContact CE1-CB 4.13Å; F21-R64 HydrophobicContact CZ-CB 4.14Å; F21-R64 PolarHBondContact O-NH2 2.94Å; Y24-R64 PolarHBondContact O-NH1 2.89Å; I43-R64 HydrophobicContact CD1-CG 4.03Å; I43-R64 HydrophobicContact CG1-CG 4.43Å; I43-R64 HydrophobicContact CG2-CB 4.48Å; N44-R64 VanDerWaalsContact C-NH1 3.31Å; N44-R64 WeakPolarHBondContact O-CD 3.37Å; N44-R64 PolarHBondContact O-NH1 2.89Å; P45-R64 PolarHBondContact O-NE 2.92Å; S47-R64 WeakPolarHBondContact OG-CD 3.15Å; S47-R64 VanDerWaalsContact OG-CG 3.23Å; S47-R64 WeakPolarHBondContact OG-CG 3.4Å; R64-N66 PolarHBondContact NE-OD1 3.02Å; R64-N66 PolarHBondContact NH2-OD1 2.79Å; R64-T70 CarbonylContact C-O 3.5Å; R64-T70 WeakPolarHBondContact CA-O 3.48Å; R64-L71 HydrophobicContact CB-CD1 4.14Å
65	D	98.2	Very high	97	Very high	40 Å²	40	52 Å²	52	21%	0.214	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	105	170.9	-176.7	-25.3	0	0	0	108.2	A67 K68 N69 T70 Y72	D65-A67 VanDerWaalsContact C-N 3.33Å; D65-A67 WeakPolarHBondContact OD1-CB 3.2Å; D65-A67 PolarHBondContact OD1-N 2.99Å; D65-K68 HydrophobicContact CB-CB 4.24Å; D65-K68 CarbonylContact O-C 3.6Å; D65-K68 PolarHBondContact O-N 2.84Å; D65-K68 PolarHBondContact OD1-N 2.82Å; D65-K68 VanDerWaalsContact OD1-N 3.11Å; D65-K68 WeakPolarHBondContact OD2-CD 3.27Å; D65-K68 VanDerWaalsContact OD2-CE 3.24Å; D65-K68 WeakPolarHBondContact OD2-CE 3.22Å; D65-K68 WeakPolarHBondContact OD2-CG 3.38Å; D65-K68 IonicContact OD2-NZ 2.94Å; D65-K68 PolarHBondContact OD2-NZ 3.14Å; D65-N69 PolarHBondContact O-N 3.16Å; D65-T70 PolarHBondContact N-O 3.38Å; D65-T70 PolarHBondContact O-N 2.86Å; D65-Y72 HydrophobicContact CB-CE2 3.85Å
66	N	97.9	Very high	97.2	Very high	61 Å²	61	49.2 Å²	49.2	33%	0.326	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-29.3	-177.2	-72.3	-17.2	0	0	0	112.5	F21 P45 R64 K68 N69	F21-N66 WeakPolarHBondContact CD1-OD1 3.5Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.41Å; P45-N66 PolarHBondContact O-ND2 2.86Å; P45-N66 VanDerWaalsContact O-ND2 3.09Å; R64-N66 PolarHBondContact NE-OD1 3.02Å; R64-N66 PolarHBondContact NH2-OD1 2.79Å; N66-K68 VanDerWaalsContact C-N 3.26Å; N66-K68 PolarHBondContact O-N 2.85Å; N66-N69 PolarHBondContact O-N 3.02Å; N66-N69 PolarHBondContact O-OD1 2.85Å
67	A	97.2	Very high	97.2	Very high	98 Å²	98	56.2 Å²	56.2	81%	0.81	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-28.2	176.9	0	0	0	0	0	111.6	D65	D65-A67 VanDerWaalsContact C-N 3.33Å; D65-A67 WeakPolarHBondContact OD1-CB 3.2Å; D65-A67 PolarHBondContact OD1-N 2.99Å
68	K	97.9	Very high	97.3	Very high	129 Å²	129	50.5 Å²	50.5	56%	0.561	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	2.5	178.4	-61.3	-177	-166.2	127.5	0	114.1	D65 N66 T70	D65-K68 HydrophobicContact CB-CB 4.24Å; D65-K68 CarbonylContact O-C 3.6Å; D65-K68 PolarHBondContact O-N 2.84Å; D65-K68 PolarHBondContact OD1-N 2.82Å; D65-K68 VanDerWaalsContact OD1-N 3.11Å; D65-K68 WeakPolarHBondContact OD2-CD 3.27Å; D65-K68 VanDerWaalsContact OD2-CE 3.24Å; D65-K68 WeakPolarHBondContact OD2-CE 3.22Å; D65-K68 WeakPolarHBondContact OD2-CG 3.38Å; D65-K68 IonicContact OD2-NZ 2.94Å; D65-K68 PolarHBondContact OD2-NZ 3.14Å; N66-K68 VanDerWaalsContact C-N 3.26Å; N66-K68 PolarHBondContact O-N 2.85Å; K68-T70 PolarHBondContact O-N 3.03Å; K68-T70 VanDerWaalsContact O-N 3.09Å; K68-T70 PolarHBondContact O-OG1 3.15Å
69	N	98	Very high	97.3	Very high	61 Å²	61	49.4 Å²	49.4	33%	0.326	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.7	39	-171.6	-61	-35.5	0	0	0	112.8	A16 F21 D65 N66	A16-N69 PolarHBondContact N-O 2.76Å; F21-N69 HydrophobicContact CB-CB 3.95Å; F21-N69 WeakPolarHBondContact CB-OD1 3.12Å; F21-N69 HydrophobicContact CD1-CB 4.48Å; F21-N69 HydrophobicContact CG-CB 4.17Å; D65-N69 PolarHBondContact O-N 3.16Å; N66-N69 PolarHBondContact O-N 3.02Å; N66-N69 PolarHBondContact O-OD1 2.85Å
70	T	98.5	Very high	97.2	Very high	16 Å²	16	52.4 Å²	52.4	10%	0.098	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	128.9	-170.6	-58.7	0	0	0	0	111.6	C14 R64 D65 K68 Y72	C14-T70 CarbonylContact O-C 3.59Å; C14-T70 VanDerWaalsContact O-CA 3.28Å; C14-T70 WeakPolarHBondContact O-CA 3.41Å; R64-T70 CarbonylContact C-O 3.5Å; R64-T70 WeakPolarHBondContact CA-O 3.48Å; D65-T70 PolarHBondContact N-O 3.38Å; D65-T70 PolarHBondContact O-N 2.86Å; K68-T70 PolarHBondContact O-N 3.03Å; K68-T70 VanDerWaalsContact O-N 3.09Å; K68-T70 PolarHBondContact O-OG1 3.15Å; T70-Y72 HydrophobicContact CG2-CD1 4.11Å; T70-Y72 HydrophobicContact CG2-CD2 4.44Å; T70-Y72 HydrophobicContact CG2-CE1 3.49Å; T70-Y72 VanDerWaalsContact CG2-CE1 3.49Å; T70-Y72 HydrophobicContact CG2-CE2 3.87Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.31Å
71	L	98.7	Very high	97	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	141.2	170.3	-170.7	70.8	0	0	0	109.7	S13 C14 F21 M26 W28 I43 I62 R64 C88	S13-L71 CarbonylContact C-O 3.55Å; S13-L71 WeakPolarHBondContact CA-O 3.37Å; C14-L71 HydrophobicContact CB-CB 4.48Å; C14-L71 PolarHBondContact N-O 2.77Å; C14-L71 PolarHBondContact O-N 2.79Å; F21-L71 HydrophobicContact CE2-CB 4.29Å; F21-L71 HydrophobicContact CZ-CB 4.18Å; M26-L71 HydrophobicContact CB-CD1 3.76Å; M26-L71 HydrophobicContact CB-CD2 3.93Å; M26-L71 HydrophobicContact CB-CG 4.37Å; W28-L71 HydrophobicContact CD2-CD2 4.26Å; W28-L71 HydrophobicContact CG-CD2 4.2Å; W28-L71 HydrophobicContact CZ2-CD2 4.28Å; W28-L71 HydrophobicContact CZ2-CG 4.33Å; W28-L71 VanDerWaalsContact NE1-CG 3.34Å; I43-L71 HydrophobicContact CG2-CD1 3.53Å; I62-L71 HydrophobicContact CG2-CD1 3.97Å; R64-L71 HydrophobicContact CB-CD1 4.14Å; L71-C88 HydrophobicContact CD2-CB 4.03Å
72	Y	98.4	Very high	96.8	Very high	43 Å²	43	55.3 Å²	55.3	17%	0.169	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	146.6	178.6	-56.6	-79	0	0	0	111.4	L12 W28 I62 S63 D65 T70	L12-Y72 VanDerWaalsContact O-CA 3.25Å; L12-Y72 WeakPolarHBondContact O-CA 3.28Å; W28-Y72 PolarHBondContact NE1-O 3.28Å; I62-Y72 WeakPolarHBondContact CA-O 3.28Å; S63-Y72 PolarHBondContact N-O 2.77Å; S63-Y72 VanDerWaalsContact N-O 3.07Å; S63-Y72 PolarHBondContact O-N 2.76Å; D65-Y72 HydrophobicContact CB-CE2 3.85Å; T70-Y72 HydrophobicContact CG2-CD1 4.11Å; T70-Y72 HydrophobicContact CG2-CD2 4.44Å; T70-Y72 HydrophobicContact CG2-CE1 3.49Å; T70-Y72 VanDerWaalsContact CG2-CE1 3.49Å; T70-Y72 HydrophobicContact CG2-CE2 3.87Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.31Å
73	L	98.3	Very high	96.7	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	110	167.7	-174	69.4	0	0	0	108.3	K11 L12 W28 I40 F60 I62 M75 Y86	K11-L73 CarbonylContact C-O 3.6Å; K11-L73 WeakPolarHBondContact CA-O 3.49Å; L12-L73 HydrophobicContact CB-CB 4.3Å; L12-L73 HydrophobicContact CD1-CD2 4.36Å; L12-L73 PolarHBondContact N-O 2.9Å; L12-L73 PolarHBondContact O-N 3.02Å; W28-L73 HydrophobicContact CD2-CB 3.89Å; W28-L73 HydrophobicContact CD2-CD2 4.2Å; W28-L73 HydrophobicContact CE3-CD2 4.43Å; W28-L73 HydrophobicContact CG-CB 4.16Å; W28-L73 HydrophobicContact CG-CD1 4.23Å; W28-L73 HydrophobicContact CG-CD2 4.24Å; W28-L73 HydrophobicContact CG-CG 4.46Å; W28-L73 HydrophobicContact CZ2-CB 3.92Å; I40-L73 HydrophobicContact CD1-CD2 4.1Å; I40-L73 HydrophobicContact CG2-CD1 4.26Å; F60-L73 HydrophobicContact CB-CD1 4.1Å; F60-L73 HydrophobicContact CD2-CD1 4.34Å; F60-L73 HydrophobicContact CD2-CD2 4.27Å; I62-L73 HydrophobicContact CG1-CD1 3.66Å; L73-M75 HydrophobicContact CD2-CG 3.97Å; L73-M75 HydrophobicContact CD2-SD 4.01Å; L73-M75 HydrophobicContact CG-CG 3.92Å; L73-Y86 HydrophobicContact CD2-CD1 3.74Å; L73-Y86 HydrophobicContact CD2-CE1 3.77Å
74	Q	97.6	Very high	96.6	Very high	81 Å²	81	59.2 Å²	59.2	38%	0.379	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	119.8	171.5	177.1	166.2	-18.5	0	0	109	F60 I61	F60-Q74 CarbonylContact C-O 3.5Å; F60-Q74 VanDerWaalsContact CA-O 3.27Å; F60-Q74 WeakPolarHBondContact CA-O 3.28Å; I61-Q74 HydrophobicContact CB-CB 4.3Å; I61-Q74 PolarHBondContact N-O 3.48Å; I61-Q74 PolarHBondContact O-N 2.78Å
75	M	96.8	Very high	96.5	Very high	4 Å²	4	63 Å²	63	2%	0.02	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	127.1	-178.1	-57.9	165	58.9	0	0	108.4	S9 L10 L12 F60 L73 V78 D82 Y86	S9-M75 CarbonylContact C-O 3.59Å; S9-M75 WeakPolarHBondContact CA-O 3.43Å; S9-M75 WeakPolarHBondContact CB-O 3.18Å; L10-M75 PolarHBondContact N-O 3.15Å; L10-M75 PolarHBondContact O-N 3.11Å; L12-M75 HydrophobicContact CD1-SD 4.07Å; L12-M75 HydrophobicContact CG-SD 4.33Å; F60-M75 HydrophobicContact CD1-CB 3.88Å; F60-M75 HydrophobicContact CD1-CG 3.86Å; F60-M75 HydrophobicContact CD2-CG 4.3Å; F60-M75 HydrophobicContact CE1-CB 3.85Å; F60-M75 HydrophobicContact CE1-CE 3.98Å; F60-M75 HydrophobicContact CE1-CG 3.89Å; F60-M75 HydrophobicContact CE2-CE 4.2Å; F60-M75 HydrophobicContact CE2-CG 4.3Å; F60-M75 HydrophobicContact CG-CG 4.12Å; F60-M75 HydrophobicContact CZ-CB 4.5Å; F60-M75 HydrophobicContact CZ-CE 3.61Å; F60-M75 HydrophobicContact CZ-CG 4.12Å; L73-M75 HydrophobicContact CD2-CG 3.97Å; L73-M75 HydrophobicContact CD2-SD 4.01Å; L73-M75 HydrophobicContact CG-CG 3.92Å; M75-V78 HydrophobicContact CB-CG2 3.88Å; M75-V78 HydrophobicContact CE-CG1 4.47Å; M75-V78 HydrophobicContact CE-CG2 4.19Å; M75-D82 HydrophobicContact CE-CB 4.23Å; M75-Y86 HydrophobicContact CE-CE1 4.11Å; M75-Y86 HydrophobicContact CE-CE2 4.31Å; M75-Y86 WeakPolarHBondContact CE-OH 3.48Å; M75-Y86 HydrophobicContact SD-CE1 4.02Å
76	S	96.1	Very high	96.5	Very high	33 Å²	33	63.3 Å²	63.3	23%	0.231	33%	0.333	C	S	.	.			trans	-120.8	150.7	177.9	-52.4	0	0	0	0	110.3	R59 V78	R59-S76 PolarHBondContact O-N 3.07Å; S76-V78 VanDerWaalsContact C-N 3.27Å; S76-V78 PolarHBondContact O-N 2.94Å
77	K	94.6	Very high	96.4	Very high	152 Å²	152	64.9 Å²	64.9	66%	0.661	34%	0.335	S	S	*	.	S	Bend	trans	51.8	50.1	-177.9	-55.7	176.2	-177.3	175.6	0	110.6	G8 R59	G8-K77 PolarHBondContact O-N 3.34Å; G8-K77 VanDerWaalsContact O-N 3.13Å; R59-K77 PolarHBondContact NH1-O 2.78Å; R59-K77 VanDerWaalsContact NH1-O 3.17Å
78	V	94.9	Very high	96.4	Very high	13 Å²	13	62.5 Å²	62.5	8%	0.079	31%	0.311	C	S	.	.			trans	-59.2	136.1	-178	177.5	0	0	0	0	109.6	V4 P6 G7 G8 M75 S76 D82	V4-V78 HydrophobicContact CG1-CB 4.08Å; V4-V78 HydrophobicContact CG1-CG1 3.94Å; V4-V78 HydrophobicContact CG1-CG2 4.11Å; P6-V78 CarbonylContact C-O 3.56Å; P6-V78 WeakPolarHBondContact CA-O 3.38Å; G7-V78 PolarHBondContact N-O 2.98Å; G8-V78 WeakPolarHBondContact O-CG2 3.48Å; G8-V78 PolarHBondContact O-N 3.02Å; M75-V78 HydrophobicContact CB-CG2 3.88Å; M75-V78 HydrophobicContact CE-CG1 4.47Å; M75-V78 HydrophobicContact CE-CG2 4.19Å; S76-V78 VanDerWaalsContact C-N 3.27Å; S76-V78 PolarHBondContact O-N 2.94Å; V78-D82 HydrophobicContact CG1-CB 4.1Å
79	R	94.5	Very high	96.4	Very high	132 Å²	132	58.2 Å²	58.2	50%	0.498	30%	0.3	S	S	.	.			trans	-110.3	163	179.4	-60	177.9	-177.9	174.4	-0.5	109.9	E81 D82	R79-E81 PolarHBondContact O-N 3.08Å; R79-D82 PolarHBondContact N-OD2 3.44Å; R79-D82 WeakPolarHBondContact O-CB 3.42Å; R79-D82 PolarHBondContact O-N 2.92Å
80	S	92.8	Very high	96.2	Very high	86 Å²	86	62.6 Å²	62.6	60%	0.601	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-55.8	-37	173.1	49.2	0	0	0	0	112.2	D82 T83	S80-D82 PolarHBondContact O-N 3.09Å; S80-T83 VanDerWaalsContact O-CB 3.26Å; S80-T83 WeakPolarHBondContact O-CB 3.34Å; S80-T83 PolarHBondContact O-N 3.27Å; S80-T83 PolarHBondContact O-OG1 3.05Å
81	E	92.8	Very high	96.1	Very high	140 Å²	140	65 Å²	65	65%	0.654	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-62.4	-19.2	176	-63.2	166.5	-130.9	0	0	114.3	R79 T83	R79-E81 PolarHBondContact O-N 3.08Å; E81-T83 PolarHBondContact O-N 2.65Å
82	D	94.6	Very high	96	Very high	6 Å²	6	68.4 Å²	68.4	3%	0.032	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-83.8	1.7	176.2	-57.6	-49.2	0	0	0	112.3	R30 R59 F60 M75 V78 R79 S80 A84 Y86	R30-D82 IonicContact NH1-OD1 3.71Å; R30-D82 PolarHBondContact NH1-OD1 3.09Å; R59-D82 IonicContact CZ-OD1 2.77Å; R59-D82 IonicContact CZ-OD2 2.86Å; R59-D82 IonicContact NH1-OD1 2.75Å; R59-D82 IonicContact NH1-OD2 3.01Å; R59-D82 PolarHBondContact NH1-OD2 2.61Å; R59-D82 IonicContact NH2-OD1 3.74Å; R59-D82 PolarHBondContact NH2-OD1 3.26Å; R59-D82 IonicContact NH2-OD2 3.77Å; R59-D82 PolarHBondContact NH2-OD2 3.15Å; F60-D82 HydrophobicContact CZ-CB 4.25Å; M75-D82 HydrophobicContact CE-CB 4.23Å; V78-D82 HydrophobicContact CG1-CB 4.1Å; R79-D82 PolarHBondContact N-OD2 3.44Å; R79-D82 WeakPolarHBondContact O-CB 3.42Å; R79-D82 PolarHBondContact O-N 2.92Å; S80-D82 PolarHBondContact O-N 3.09Å; D82-A84 PolarHBondContact O-N 3.44Å; D82-Y86 WeakPolarHBondContact O-CE2 3.43Å; D82-Y86 PolarHBondContact O-OH 3.11Å
83	T	95.3	Very high	95.8	Very high	98 Å²	98	69.8 Å²	69.8	60%	0.601	35%	0.349	S	S	*	.			trans	-69.6	106	176.2	-54.1	0	0	0	0	110	S80 E81	S80-T83 VanDerWaalsContact O-CB 3.26Å; S80-T83 WeakPolarHBondContact O-CB 3.34Å; S80-T83 PolarHBondContact O-N 3.27Å; S80-T83 PolarHBondContact O-OG1 3.05Å; E81-T83 PolarHBondContact O-N 2.65Å
84	A	96.2	Very high	95.7	Very high	25 Å²	25	73.9 Å²	73.9	21%	0.207	37%	0.37	C	S	.	.	S	Bend	trans	-157.1	166.7	-176.7	0	0	0	0	0	111.1	R30 Q31 A32 D82 Y86	R30-A84 HydrophobicContact CB-CB 3.87Å; R30-A84 HydrophobicContact CG-CB 4.34Å; Q31-A84 WeakPolarHBondContact O-CA 3.44Å; Q31-A84 WeakPolarHBondContact O-CB 3.46Å; A32-A84 HydrophobicContact CB-CB 4.38Å; D82-A84 PolarHBondContact O-N 3.44Å; A84-Y86 HydrophobicContact CB-CD2 4.36Å; A84-Y86 HydrophobicContact CB-CE2 3.9Å; A84-Y86 VanDerWaalsContact O-CD2 3.25Å; A84-Y86 WeakPolarHBondContact O-CD2 3.44Å; A84-Y86 WeakPolarHBondContact O-CE2 3.43Å
85	L	97.1	Very high	95.6	Very high	106 Å²	106	73.4 Å²	73.4	56%	0.555	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	137.4	158.9	-67.4	174.3	0	0	0	108.8	R30 Q31 Y87	R30-L85 CarbonylContact C-O 3.43Å; R30-L85 WeakPolarHBondContact CA-O 3.23Å; R30-L85 WeakPolarHBondContact CB-O 3.31Å; Q31-L85 PolarHBondContact N-O 3.32Å; Q31-L85 PolarHBondContact O-N 2.71Å; L85-Y87 HydrophobicContact CB-CE2 3.8Å; L85-Y87 VanDerWaalsContact CD1-OH 3.28Å; L85-Y87 WeakPolarHBondContact CD1-OH 3.21Å
86	Y	97.5	Very high	95.5	Very high	46 Å²	46	78.1 Å²	78.1	18%	0.18	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	130.2	-178.4	-75.6	-103.5	0	0	0	109.6	L12 R30 I40 F60 L73 M75 D82 A84	L12-Y86 HydrophobicContact CD1-CD1 3.82Å; L12-Y86 HydrophobicContact CD1-CD2 4.12Å; L12-Y86 HydrophobicContact CD1-CG 3.59Å; R30-Y86 HydrophobicContact CB-CD1 4.07Å; R30-Y86 HydrophobicContact CB-CE1 4.04Å; R30-Y86 HydrophobicContact CB-CG 4.35Å; I40-Y86 HydrophobicContact CD1-CD1 3.63Å; I40-Y86 HydrophobicContact CD1-CE1 3.46Å; I40-Y86 VanDerWaalsContact CD1-CE1 3.46Å; F60-Y86 HydrophobicContact CE2-CE1 4.32Å; L73-Y86 HydrophobicContact CD2-CD1 3.74Å; L73-Y86 HydrophobicContact CD2-CE1 3.77Å; M75-Y86 HydrophobicContact CE-CE1 4.11Å; M75-Y86 HydrophobicContact CE-CE2 4.31Å; M75-Y86 WeakPolarHBondContact CE-OH 3.48Å; M75-Y86 HydrophobicContact SD-CE1 4.02Å; D82-Y86 WeakPolarHBondContact O-CE2 3.43Å; D82-Y86 PolarHBondContact O-OH 3.11Å; A84-Y86 HydrophobicContact CB-CD2 4.36Å; A84-Y86 HydrophobicContact CB-CE2 3.9Å; A84-Y86 VanDerWaalsContact O-CD2 3.25Å; A84-Y86 WeakPolarHBondContact O-CD2 3.44Å; A84-Y86 WeakPolarHBondContact O-CE2 3.43Å
87	Y	97.7	Very high	95.4	Very high	94 Å²	94	81.3 Å²	81.3	37%	0.369	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	138.2	-177.7	-52.4	-81.5	0	0	0	109.4	W28 V29 Q31 L37 L85	W28-Y87 WeakPolarHBondContact CA-O 3.19Å; V29-Y87 PolarHBondContact N-O 2.77Å; V29-Y87 PolarHBondContact O-N 3.02Å; Q31-Y87 HydrophobicContact CB-CE2 3.93Å; L37-Y87 HydrophobicContact CD2-CD2 4.27Å; L37-Y87 HydrophobicContact CD2-CE2 4.25Å; L85-Y87 HydrophobicContact CB-CE2 3.8Å; L85-Y87 VanDerWaalsContact CD1-OH 3.28Å; L85-Y87 WeakPolarHBondContact CD1-OH 3.21Å
88	C	96.9	Very high	95.5	Very high	47 Å²	47	75.8 Å²	75.8	32%	0.318	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	142.6	161.1	50.1	0	0	0	0	108.7	C14 S27 W28 L71	C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.28Å; C14-C88 WeakPolarHBondContact SG-CB 3.37Å; C14-C88 CovalentContact SG-SG 2Å; C14-C88 PolarHBondContact SG-SG 3.09Å; S27-C88 CarbonylContact O-C 3.5Å; S27-C88 VanDerWaalsContact O-CA 3.31Å; S27-C88 WeakPolarHBondContact O-CA 3.3Å; W28-C88 HydrophobicContact CZ3-CB 4.48Å; L71-C88 HydrophobicContact CD2-CB 4.03Å
89	A	97	Very high	95.5	Very high	39 Å²	39	81.1 Å²	81.1	32%	0.322	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	150.7	176.3	0	0	0	0	0	109.7	M26 S27	M26-A89 WeakPolarHBondContact CA-O 3.16Å; M26-A89 WeakPolarHBondContact CE-O 3.24Å; S27-A89 PolarHBondContact N-O 2.75Å; S27-A89 PolarHBondContact O-N 3.25Å
90	R	94.2	Very high	95.6	Very high	154 Å²	154	76.5 Å²	76.5	58%	0.581	40%	0.402	S	S	*	.			trans	-102.3	0	165	174.2	-179.8	63	167.5	0.9	108	F19 Y24 M26	F19-R90 HydrophobicContact CE2-CB 4.4Å; F19-R90 HydrophobicContact CE2-CG 4.39Å; F19-R90 VanDerWaalsContact CG-NH1 3.29Å; F19-R90 HydrophobicContact CZ-CB 4.21Å; Y24-R90 HydrophobicContact CD1-CG 4.08Å; Y24-R90 HydrophobicContact CG-CG 3.88Å; M26-R90 HydrophobicContact CE-CB 4.1Å; M26-R90 HydrophobicContact SD-CB 3.92Å; M26-R90 HydrophobicContact SD-CG 4.24Å

Retrieved 90 of 90 residues in 43.1 ms (Link to these results)

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