X5J518_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J518, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 110 aa.

						>X5J518_MOUSE|X5J518
GGLVQHGGSLKLSCAASGFTFSSYGMSWVRQTPDKRLELVATINSNGGSTYYPDSVKGRFTISRDNAKNTLYLQMSSLKSEDTAMYYCASLWSYWYFDVWGAGTTVTVSS
					

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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	66	Low	91.2	Very high	80 Å²	80	72.8 Å²	72.8	83%	0.825	45%	0.449	S	S	*	.				0	167.8	0	0	0	0	0	0	110	T104 T105	G1-T104 WeakPolarHBondContact CA-OG1 3.29Å; G1-T104 PolarHBondContact N-OG1 2.84Å; G1-T105 CarbonylContact C-O 3.58Å; G1-T105 WeakPolarHBondContact CA-O 3.45Å
2	G	87.8	Confident	91.7	Very high	22 Å²	22	67.3 Å²	67.3	23%	0.227	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	145.1	-179.2	0	0	0	0	0	112.2	T105 T107	G2-T105 PolarHBondContact N-O 3.12Å; G2-T107 PolarHBondContact O-N 2.74Å
3	L	91.1	Very high	92	Very high	131 Å²	131	68.3 Å²	68.3	69%	0.686	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	127.3	162.6	178.6	65.8	0	0	0	107.5	T107	L3-T107 WeakPolarHBondContact CA-O 3.38Å; L3-T107 HydrophobicContact CD1-CG2 3.72Å
4	V	92.6	Very high	92.2	Very high	22 Å²	22	64.5 Å²	64.5	13%	0.133	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	146.3	-178	-168.5	0	0	0	0	109	L10 L78 T107 V108 S109	V4-L10 HydrophobicContact CG2-CB 4.15Å; V4-L10 HydrophobicContact CG2-CD2 4.27Å; V4-L78 HydrophobicContact CB-CD1 3.95Å; V4-L78 HydrophobicContact CG1-CD1 3.91Å; V4-L78 HydrophobicContact CG2-CD1 4.09Å; V4-T107 PolarHBondContact N-O 3.22Å; V4-V108 CarbonylContact O-C 3.51Å; V4-V108 WeakPolarHBondContact O-CA 3.39Å; V4-S109 PolarHBondContact O-N 3Å; V4-S109 PolarHBondContact O-OG 2.73Å
5	Q	93.1	Very high	92.2	Very high	148 Å²	148	65.5 Å²	65.5	69%	0.692	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75	155.4	172.8	-67.3	-168.9	-17.2	0	0	111.7	G7 G8	Q5-G7 PolarHBondContact O-N 3.44Å; Q5-G8 WeakPolarHBondContact O-CA 3.15Å; Q5-G8 PolarHBondContact O-N 3.32Å
6	H	93.1	Very high	92	Very high	107 Å²	107	62.3 Å²	62.3	50%	0.495	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	134.3	170.5	-171.2	-82	0	0	0	111.4	G8 V108 S109	H6-G8 PolarHBondContact O-N 3.47Å; H6-V108 HydrophobicContact CB-CG1 4.46Å; H6-S109 PolarHBondContact N-O 2.96Å
7	G	93.9	Very high	91.7	Very high	44 Å²	44	64.8 Å²	64.8	45%	0.454	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	-9.4	-173.8	0	0	0	0	0	114.9	Q5 L78	Q5-G7 PolarHBondContact O-N 3.44Å; G7-L78 PolarHBondContact N-O 2.94Å
8	G	95.4	Very high	91.3	Very high	22 Å²	22	66.1 Å²	66.1	23%	0.227	45%	0.447	C	S	.	.			trans	-70.6	179.6	178.2	0	0	0	0	0	113.9	Q5 H6 S77 L78	Q5-G8 WeakPolarHBondContact O-CA 3.15Å; Q5-G8 PolarHBondContact O-N 3.32Å; H6-G8 PolarHBondContact O-N 3.47Å; G8-S77 PolarHBondContact O-N 2.84Å; G8-L78 PolarHBondContact O-N 3.31Å
9	S	96.7	Very high	90.8	Very high	70 Å²	70	65.6 Å²	65.6	49%	0.49	44%	0.437	S	S	.	.			trans	-132.6	149	-178.9	-58.4	0	0	0	0	111.6	M75	S9-M75 CarbonylContact C-O 3.4Å; S9-M75 WeakPolarHBondContact CA-O 3.36Å; S9-M75 WeakPolarHBondContact CB-O 3.14Å
10	L	96.4	Very high	90.7	Very high	38 Å²	38	66.6 Å²	66.6	20%	0.199	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	151.7	177.8	-176.4	63.8	0	0	0	109.8	V4 L12 M75 L78 V106	V4-L10 HydrophobicContact CG2-CB 4.15Å; V4-L10 HydrophobicContact CG2-CD2 4.27Å; L10-L12 HydrophobicContact CD2-CD2 3.68Å; L10-L12 HydrophobicContact CG-CD2 4.13Å; L10-M75 PolarHBondContact N-O 2.9Å; L10-M75 PolarHBondContact O-N 3.03Å; L10-L78 HydrophobicContact CB-CD1 4.12Å; L10-V106 HydrophobicContact CD2-CG1 4.14Å; L10-V106 HydrophobicContact CD2-CG2 3.88Å
11	K	97.3	Very high	90.7	Very high	117 Å²	117	63.4 Å²	63.4	51%	0.509	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	120.9	169.2	-170.1	174.2	179.8	176.5	0	110	L73	K11-L73 CarbonylContact C-O 3.6Å; K11-L73 WeakPolarHBondContact CA-O 3.38Å
12	L	96.9	Very high	91.9	Very high	7 Å²	7	62.2 Å²	62.2	4%	0.037	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	151.3	170.7	-55.3	-177.9	0	0	0	110.3	L10 W28 Y72 L73 M75 Y86 T104 V106	L10-L12 HydrophobicContact CD2-CD2 3.68Å; L10-L12 HydrophobicContact CG-CD2 4.13Å; L12-W28 HydrophobicContact CB-CH2 3.74Å; L12-W28 HydrophobicContact CB-CZ2 3.95Å; L12-W28 HydrophobicContact CB-CZ3 4.32Å; L12-W28 HydrophobicContact CD1-CE3 4.45Å; L12-W28 HydrophobicContact CD1-CH2 4.32Å; L12-W28 HydrophobicContact CD1-CZ3 4.06Å; L12-Y72 VanDerWaalsContact O-CA 3.25Å; L12-Y72 WeakPolarHBondContact O-CA 3.4Å; L12-L73 HydrophobicContact CB-CB 4.28Å; L12-L73 HydrophobicContact CD1-CD2 4.42Å; L12-L73 PolarHBondContact N-O 2.47Å; L12-L73 PolarHBondContact O-N 3.15Å; L12-M75 HydrophobicContact CD1-SD 3.81Å; L12-M75 HydrophobicContact CG-SD 3.97Å; L12-Y86 HydrophobicContact CD1-CD1 4.13Å; L12-Y86 HydrophobicContact CD1-CD2 4.45Å; L12-Y86 HydrophobicContact CD1-CG 3.85Å; L12-T104 HydrophobicContact CD1-CG2 4.05Å; L12-T104 HydrophobicContact CD2-CG2 4.08Å; L12-V106 HydrophobicContact CD1-CG2 4.09Å; L12-V106 HydrophobicContact CD2-CG2 3.97Å
13	S	95.9	Very high	92	Very high	80 Å²	80	64.8 Å²	64.8	56%	0.559	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.6	140.8	172.7	59.5	0	0	0	0	110.3	L71	S13-L71 CarbonylContact C-O 3.52Å; S13-L71 VanDerWaalsContact CA-O 3.29Å; S13-L71 WeakPolarHBondContact CA-O 3.33Å
14	C	94.1	Very high	91.9	Very high	15 Å²	15	61.1 Å²	61.1	10%	0.101	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	115.6	172.3	167	0	0	0	0	108.9	W28 T70 L71 C88	C14-W28 HydrophobicContact CB-CH2 3.85Å; C14-W28 HydrophobicContact CB-CZ2 3.88Å; C14-T70 CarbonylContact O-C 3.46Å; C14-T70 WeakPolarHBondContact O-CA 3.42Å; C14-L71 PolarHBondContact N-O 2.93Å; C14-L71 PolarHBondContact O-N 2.65Å; C14-C88 HydrophobicContact CB-CB 3.5Å; C14-C88 WeakPolarHBondContact CB-SG 3.41Å; C14-C88 WeakPolarHBondContact SG-CB 3.25Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.99Å
15	A	92.9	Very high	91.8	Very high	79 Å²	79	60.9 Å²	60.9	65%	0.653	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	128.2	174.5	0	0	0	0	0	109.5
16	A	88.4	Confident	91.8	Very high	15 Å²	15	53.9 Å²	53.9	12%	0.124	36%	0.36	C	S	.	.			trans	-86.9	143.4	179.5	0	0	0	0	0	111.9	F21 N69 W100	A16-F21 HydrophobicContact CB-CB 4.15Å; A16-F21 HydrophobicContact CB-CD2 3.5Å; A16-F21 HydrophobicContact CB-CE2 4.25Å; A16-F21 HydrophobicContact CB-CG 4.16Å; A16-N69 HydrophobicContact CB-CB 4.22Å; A16-N69 VanDerWaalsContact CB-O 3.28Å; A16-N69 WeakPolarHBondContact CB-O 3.47Å; A16-N69 PolarHBondContact N-O 2.84Å; A16-W100 HydrophobicContact CB-CE3 3.67Å; A16-W100 HydrophobicContact CB-CH2 3.95Å; A16-W100 HydrophobicContact CB-CZ3 3.11Å
17	S	86.8	Confident	91.9	Very high	104 Å²	104	48.8 Å²	48.8	73%	0.727	34%	0.336	S	S	*	.			trans	-145	159.6	168.9	64	0	0	0	0	110.1
18	G	84.3	Confident	92	Very high	88 Å²	88	46.9 Å²	46.9	91%	0.907	32%	0.315	S	S	*	.	S	Bend	trans	87.4	-2.9	176.4	0	0	0	0	0	116.1
19	F	83.6	Confident	92	Very high	58 Å²	58	46.5 Å²	46.5	25%	0.254	31%	0.309	S	S	.	.	S	Bend	trans	-158.5	170.3	173.5	65.3	-91.2	0	0	0	113.1	F21 Y24 M26 W100	F19-F21 PolarHBondContact O-N 2.79Å; F19-Y24 HydrophobicContact CB-CE2 4.43Å; F19-Y24 AromaticContact CD2-CD2 3.46Å; F19-Y24 HydrophobicContact CD2-CD2 3.46Å; F19-Y24 VanDerWaalsContact CD2-CD2 3.46Å; F19-Y24 AromaticContact CD2-CE2 3.73Å; F19-Y24 HydrophobicContact CD2-CE2 3.73Å; F19-Y24 HydrophobicContact CD2-CG 4.4Å; F19-Y24 AromaticContact CE2-CD2 3.68Å; F19-Y24 HydrophobicContact CE2-CD2 3.68Å; F19-Y24 HydrophobicContact CE2-CE2 4.37Å; F19-Y24 HydrophobicContact CE2-CG 4.24Å; F19-Y24 HydrophobicContact CG-CE2 4.46Å; F19-M26 HydrophobicContact CE2-CE 4.3Å; F19-M26 HydrophobicContact CE2-SD 4.38Å; F19-M26 HydrophobicContact CZ-CE 4.1Å; F19-W100 HydrophobicContact CD1-CE3 4.38Å; F19-W100 HydrophobicContact CE1-CD2 4.04Å; F19-W100 AromaticContact CE1-CE3 3.12Å; F19-W100 HydrophobicContact CE1-CE3 3.12Å; F19-W100 AromaticContact CE1-CZ3 3.49Å; F19-W100 HydrophobicContact CE1-CZ3 3.49Å; F19-W100 VanDerWaalsContact CE1-CZ3 3.49Å; F19-W100 HydrophobicContact CE2-CE3 4.31Å; F19-W100 AromaticContact CE2-CZ3 3.8Å; F19-W100 HydrophobicContact CE2-CZ3 3.8Å; F19-W100 HydrophobicContact CZ-CD2 4.05Å; F19-W100 AromaticContact CZ-CE3 3.11Å; F19-W100 HydrophobicContact CZ-CE3 3.11Å; F19-W100 AromaticContact CZ-CH2 3.87Å; F19-W100 HydrophobicContact CZ-CH2 3.87Å; F19-W100 AromaticContact CZ-CZ3 2.94Å; F19-W100 HydrophobicContact CZ-CZ3 2.94Å
20	T	88.6	Confident	91.9	Very high	85 Å²	85	43.7 Å²	43.7	52%	0.521	29%	0.288	S	S	.	.			trans	-75	88.4	176.7	-49.8	0	0	0	0	111.2	S22 S23 Y24	T20-S22 PolarHBondContact O-N 3.04Å; T20-S22 VanDerWaalsContact O-N 3.09Å; T20-S23 VanDerWaalsContact CG2-OG 3.26Å; T20-S23 WeakPolarHBondContact CG2-OG 3.26Å; T20-S23 WeakPolarHBondContact O-CB 3.47Å; T20-S23 PolarHBondContact O-N 2.94Å; T20-Y24 VanDerWaalsContact O-CD2 3.3Å; T20-Y24 WeakPolarHBondContact O-CD2 3.29Å
21	F	89.6	Confident	91.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-48.2	-38.8	-178.1	176	-99.5	0	0	0	114.2	A16 F19 S23 Y24 M26 R64 N66 N69 L71 W100	A16-F21 HydrophobicContact CB-CB 4.15Å; A16-F21 HydrophobicContact CB-CD2 3.5Å; A16-F21 HydrophobicContact CB-CE2 4.25Å; A16-F21 HydrophobicContact CB-CG 4.16Å; F19-F21 PolarHBondContact O-N 2.79Å; F21-S23 PolarHBondContact O-N 2.78Å; F21-Y24 PolarHBondContact O-N 2.84Å; F21-M26 HydrophobicContact CD2-CG 4.35Å; F21-M26 HydrophobicContact CD2-SD 3.4Å; F21-M26 WeakPolarHBondContact CD2-SD 3.28Å; F21-M26 HydrophobicContact CE2-CG 3.83Å; F21-M26 HydrophobicContact CE2-SD 3.44Å; F21-M26 WeakPolarHBondContact CE2-SD 3.41Å; F21-M26 HydrophobicContact CG-SD 4.22Å; F21-M26 HydrophobicContact CZ-CG 4.15Å; F21-M26 HydrophobicContact CZ-SD 4.26Å; F21-R64 HydrophobicContact CE1-CB 4.14Å; F21-R64 HydrophobicContact CZ-CB 4.01Å; F21-R64 PolarHBondContact O-NH2 2.99Å; F21-N66 WeakPolarHBondContact CD1-OD1 3.32Å; F21-N66 VanDerWaalsContact CE1-OD1 3.29Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.5Å; F21-N69 HydrophobicContact CB-CB 3.99Å; F21-N69 WeakPolarHBondContact CB-OD1 3.31Å; F21-N69 HydrophobicContact CD1-CB 4.45Å; F21-N69 HydrophobicContact CG-CB 4.2Å; F21-L71 HydrophobicContact CE2-CB 4.27Å; F21-L71 HydrophobicContact CZ-CB 4.32Å; F21-W100 AromaticContact CD2-CH2 3.72Å; F21-W100 HydrophobicContact CD2-CH2 3.72Å; F21-W100 AromaticContact CD2-CZ3 3.87Å; F21-W100 HydrophobicContact CD2-CZ3 3.87Å; F21-W100 AromaticContact CE2-CH2 3.72Å; F21-W100 HydrophobicContact CE2-CH2 3.72Å; F21-W100 HydrophobicContact CE2-CZ3 4.3Å
22	S	90.9	Very high	91.7	Very high	54 Å²	54	40 Å²	40	38%	0.378	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-68.2	-16.1	179.2	55.5	0	0	0	0	114.5	T20 S45	T20-S22 PolarHBondContact O-N 3.04Å; T20-S22 VanDerWaalsContact O-N 3.09Å; S22-S45 WeakPolarHBondContact O-CB 3.45Å
23	S	89.8	Confident	91.5	Very high	76 Å²	76	44.9 Å²	44.9	53%	0.531	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-84.8	-14.7	179.2	-59.2	0	0	0	0	113.5	T20 F21	T20-S23 VanDerWaalsContact CG2-OG 3.26Å; T20-S23 WeakPolarHBondContact CG2-OG 3.26Å; T20-S23 WeakPolarHBondContact O-CB 3.47Å; T20-S23 PolarHBondContact O-N 2.94Å; F21-S23 PolarHBondContact O-N 2.78Å
24	Y	88.9	Confident	91.4	Very high	55 Å²	55	46.1 Å²	46.1	22%	0.216	30%	0.304	C	S	.	.	S	Bend	trans	-117	148.3	-171.8	-61.9	-86.4	0	0	0	113.1	F19 T20 F21 S45 R64 W92	F19-Y24 HydrophobicContact CB-CE2 4.43Å; F19-Y24 AromaticContact CD2-CD2 3.46Å; F19-Y24 HydrophobicContact CD2-CD2 3.46Å; F19-Y24 VanDerWaalsContact CD2-CD2 3.46Å; F19-Y24 AromaticContact CD2-CE2 3.73Å; F19-Y24 HydrophobicContact CD2-CE2 3.73Å; F19-Y24 HydrophobicContact CD2-CG 4.4Å; F19-Y24 AromaticContact CE2-CD2 3.68Å; F19-Y24 HydrophobicContact CE2-CD2 3.68Å; F19-Y24 HydrophobicContact CE2-CE2 4.37Å; F19-Y24 HydrophobicContact CE2-CG 4.24Å; F19-Y24 HydrophobicContact CG-CE2 4.46Å; T20-Y24 VanDerWaalsContact O-CD2 3.3Å; T20-Y24 WeakPolarHBondContact O-CD2 3.29Å; F21-Y24 PolarHBondContact O-N 2.84Å; Y24-S45 VanDerWaalsContact O-CA 3.31Å; Y24-S45 WeakPolarHBondContact O-CA 3.21Å; Y24-R64 PolarHBondContact O-NH1 3.31Å; Y24-W92 HydrophobicContact CD1-CD2 4.47Å; Y24-W92 HydrophobicContact CD1-CG 4.42Å; Y24-W92 AromaticContact CD1-NE1 3.89Å; Y24-W92 AromaticContact CE1-CD1 3.98Å; Y24-W92 AromaticContact CE1-CD2 3.79Å; Y24-W92 HydrophobicContact CE1-CD2 3.79Å; Y24-W92 AromaticContact CE1-CE2 3.34Å; Y24-W92 HydrophobicContact CE1-CE3 4.4Å; Y24-W92 HydrophobicContact CE1-CG 4.19Å; Y24-W92 HydrophobicContact CE1-CH2 4.27Å; Y24-W92 AromaticContact CE1-CZ2 3.63Å; Y24-W92 HydrophobicContact CE1-CZ2 3.63Å; Y24-W92 AromaticContact CE1-NE1 3.46Å; Y24-W92 AromaticContact CZ-CE2 3.83Å; Y24-W92 AromaticContact CZ-CZ2 3.66Å; Y24-W92 WeakPolarHBondContact OH-CZ2 3.38Å
25	G	91.9	Very high	91.2	Very high	17 Å²	17	53.3 Å²	53.3	18%	0.175	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	144.9	160.4	0	0	0	0	0	109.9	I43 L91	G25-I43 CarbonylContact C-O 3.5Å; G25-I43 WeakPolarHBondContact CA-O 3.43Å; G25-L91 WeakPolarHBondContact O-CB 3.31Å; G25-L91 PolarHBondContact O-N 3.03Å
26	M	93.2	Very high	91.1	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	144.4	-170.7	-43.5	-80.1	21.3	0	0	109.5	F19 F21 T42 I43 L71 W100	F19-M26 HydrophobicContact CE2-CE 4.3Å; F19-M26 HydrophobicContact CE2-SD 4.38Å; F19-M26 HydrophobicContact CZ-CE 4.1Å; F21-M26 HydrophobicContact CD2-CG 4.35Å; F21-M26 HydrophobicContact CD2-SD 3.4Å; F21-M26 WeakPolarHBondContact CD2-SD 3.28Å; F21-M26 HydrophobicContact CE2-CG 3.83Å; F21-M26 HydrophobicContact CE2-SD 3.44Å; F21-M26 WeakPolarHBondContact CE2-SD 3.41Å; F21-M26 HydrophobicContact CG-SD 4.22Å; F21-M26 HydrophobicContact CZ-CG 4.15Å; F21-M26 HydrophobicContact CZ-SD 4.26Å; M26-T42 CarbonylContact O-C 3.53Å; M26-T42 WeakPolarHBondContact O-CA 3.47Å; M26-I43 HydrophobicContact CB-CG2 4.01Å; M26-I43 PolarHBondContact N-O 3.02Å; M26-I43 PolarHBondContact O-N 3.5Å; M26-L71 HydrophobicContact CB-CD1 3.71Å; M26-L71 HydrophobicContact CB-CD2 3.93Å; M26-L71 HydrophobicContact CB-CG 4.39Å; M26-L71 HydrophobicContact CG-CD1 4.38Å; M26-W100 HydrophobicContact CE-CH2 2.94Å; M26-W100 HydrophobicContact CE-CZ2 3.16Å; M26-W100 HydrophobicContact CE-CZ3 3.71Å; M26-W100 HydrophobicContact CG-CH2 4.47Å; M26-W100 HydrophobicContact SD-CH2 3.36Å; M26-W100 WeakPolarHBondContact SD-CH2 3.46Å; M26-W100 HydrophobicContact SD-CZ2 4.08Å; M26-W100 HydrophobicContact SD-CZ3 4.09Å
27	S	94.6	Very high	91.2	Very high	0 Å²	0	61 Å²	61	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	153.8	-177.4	-64.6	0	0	0	0	112.3	A41 T42 C88 A89 L91	S27-A41 CarbonylContact C-O 3.49Å; S27-A41 WeakPolarHBondContact CA-O 3.01Å; S27-A41 WeakPolarHBondContact CB-O 3.36Å; S27-T42 PolarHBondContact OG-OG1 2.96Å; S27-C88 CarbonylContact O-C 3.58Å; S27-C88 VanDerWaalsContact O-CA 3.3Å; S27-C88 WeakPolarHBondContact O-CA 3.37Å; S27-A89 PolarHBondContact N-O 3.01Å; S27-A89 PolarHBondContact O-N 2.79Å; S27-L91 WeakPolarHBondContact OG-CD1 3.44Å
28	W	95.6	Very high	91.5	Very high	4 Å²	4	57.6 Å²	57.6	2%	0.015	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	132.3	157.7	-77	94.7	0	0	0	108.7	L12 C14 V40 A41 L71 L73 Y87 T104	L12-W28 HydrophobicContact CB-CH2 3.74Å; L12-W28 HydrophobicContact CB-CZ2 3.95Å; L12-W28 HydrophobicContact CB-CZ3 4.32Å; L12-W28 HydrophobicContact CD1-CE3 4.45Å; L12-W28 HydrophobicContact CD1-CH2 4.32Å; L12-W28 HydrophobicContact CD1-CZ3 4.06Å; C14-W28 HydrophobicContact CB-CH2 3.85Å; C14-W28 HydrophobicContact CB-CZ2 3.88Å; W28-V40 HydrophobicContact CB-CB 4.04Å; W28-V40 HydrophobicContact CB-CG1 4.46Å; W28-V40 WeakPolarHBondContact O-CA 3.47Å; W28-V40 WeakPolarHBondContact O-CB 3.2Å; W28-V40 PolarHBondContact O-N 2.83Å; W28-A41 PolarHBondContact N-O 2.81Å; W28-A41 PolarHBondContact O-N 2.85Å; W28-L71 HydrophobicContact CG-CD2 4.35Å; W28-L73 HydrophobicContact CB-CD2 4.21Å; W28-L73 HydrophobicContact CD2-CB 4.12Å; W28-L73 HydrophobicContact CD2-CD2 4.28Å; W28-L73 HydrophobicContact CG-CB 4.09Å; W28-L73 HydrophobicContact CG-CD1 4.42Å; W28-L73 HydrophobicContact CG-CD2 4.03Å; W28-L73 HydrophobicContact CG-CG 4.42Å; W28-L73 HydrophobicContact CZ2-CB 4.39Å; W28-Y87 CarbonylContact C-O 3.54Å; W28-Y87 WeakPolarHBondContact CA-O 3.44Å; W28-T104 HydrophobicContact CZ3-CG2 4.49Å
29	V	95.1	Very high	92	Very high	14 Å²	14	55.9 Å²	55.9	9%	0.085	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	145.4	175.2	-173.2	0	0	0	0	106.5	L37 E38 L39 Y87 A89	V29-L37 HydrophobicContact CG1-CB 4.49Å; V29-L37 HydrophobicContact CG1-CD2 4.23Å; V29-E38 CarbonylContact C-O 3.49Å; V29-E38 VanDerWaalsContact CA-O 3.29Å; V29-E38 WeakPolarHBondContact CA-O 3.33Å; V29-E38 VanDerWaalsContact CG1-O 3.26Å; V29-E38 WeakPolarHBondContact CG1-O 3.31Å; V29-L39 HydrophobicContact CG2-CD1 4.39Å; V29-Y87 PolarHBondContact N-O 2.82Å; V29-Y87 PolarHBondContact O-N 3Å; V29-A89 HydrophobicContact CG2-CB 4.18Å
30	R	95.4	Very high	92.6	Very high	12 Å²	12	53.1 Å²	53.1	5%	0.045	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	145.6	173.4	70.8	-177.4	-177.9	-177.2	7.3	111.1	L37 E38 V40 D82 A84 M85 Y86	R30-L37 CarbonylContact O-C 3.55Å; R30-L37 WeakPolarHBondContact O-CA 3.49Å; R30-E38 HydrophobicContact CG-CB 4.01Å; R30-E38 IonicContact CZ-OE2 2.92Å; R30-E38 VanDerWaalsContact CZ-OE2 3.28Å; R30-E38 PolarHBondContact N-O 3.25Å; R30-E38 IonicContact NE-OE2 2.82Å; R30-E38 PolarHBondContact NE-OE2 2.75Å; R30-E38 IonicContact NH2-OE2 3.38Å; R30-E38 PolarHBondContact NH2-OE2 2.84Å; R30-E38 PolarHBondContact O-N 3.44Å; R30-V40 HydrophobicContact CB-CG2 3.79Å; R30-V40 HydrophobicContact CG-CG2 3.6Å; R30-D82 IonicContact NH1-OD1 3.1Å; R30-D82 PolarHBondContact NH1-OD1 3.12Å; R30-A84 HydrophobicContact CB-CB 3.85Å; R30-A84 HydrophobicContact CG-CB 4.14Å; R30-M85 CarbonylContact C-O 3.59Å; R30-M85 WeakPolarHBondContact CA-O 3.35Å; R30-Y86 HydrophobicContact CB-CD1 3.85Å; R30-Y86 HydrophobicContact CB-CD2 4.41Å; R30-Y86 HydrophobicContact CB-CE1 3.8Å; R30-Y86 HydrophobicContact CB-CE2 4.35Å; R30-Y86 HydrophobicContact CB-CG 4.15Å; R30-Y86 WeakPolarHBondContact CD-OH 3.07Å; R30-Y86 HydrophobicContact CG-CE1 4.4Å; R30-Y86 PolarHBondContact NH1-OH 2.93Å
31	Q	95.1	Very high	93	Very high	63 Å²	63	49.1 Å²	49.1	29%	0.294	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	113	167.7	-169.8	173.8	47.9	0	0	108.6	R36 L37 A84 M85 Y87	Q31-R36 VanDerWaalsContact CA-O 3.31Å; Q31-R36 WeakPolarHBondContact CA-O 3.37Å; Q31-L37 HydrophobicContact CB-CD2 3.78Å; Q31-L37 HydrophobicContact CG-CD2 4.12Å; Q31-A84 WeakPolarHBondContact O-CA 3.38Å; Q31-A84 WeakPolarHBondContact O-CB 3.48Å; Q31-M85 HydrophobicContact CB-CB 4.46Å; Q31-M85 PolarHBondContact N-O 3.02Å; Q31-M85 PolarHBondContact O-N 2.96Å; Q31-Y87 HydrophobicContact CB-CE2 3.81Å
32	T	94.4	Very high	93.3	Very high	15 Å²	15	50.2 Å²	50.2	9%	0.092	26%	0.263	C	S	.	.			trans	-71.5	164	176.2	44.5	0	0	0	0	110.8	D34 K35 R36	T32-D34 WeakPolarHBondContact CB-OD1 3.36Å; T32-D34 PolarHBondContact O-N 3.22Å; T32-D34 VanDerWaalsContact O-N 3.15Å; T32-D34 PolarHBondContact OG1-OD1 2.93Å; T32-K35 WeakPolarHBondContact O-CA 3.4Å; T32-K35 PolarHBondContact O-N 2.92Å; T32-R36 PolarHBondContact N-O 3.23Å; T32-R36 WeakPolarHBondContact OG1-CB 3.28Å; T32-R36 PolarHBondContact OG1-N 3.02Å; T32-R36 PolarHBondContact OG1-O 3Å; T32-R36 VanDerWaalsContact OG1-O 3.04Å
33	P	92.3	Very high	93.5	Very high	108 Å²	108	47.9 Å²	47.9	70%	0.701	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-27.3	-178.3	-27.5	36.2	0	0	0	115	K35 T83	P33-K35 PolarHBondContact O-N 3.2Å; P33-T83 WeakPolarHBondContact CD-O 3.2Å
34	D	93.6	Very high	93.7	Very high	107 Å²	107	46.8 Å²	46.8	57%	0.572	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	10.2	172.6	68	-21.1	0	0	0	113.5	T32 R36	T32-D34 WeakPolarHBondContact CB-OD1 3.36Å; T32-D34 PolarHBondContact O-N 3.22Å; T32-D34 VanDerWaalsContact O-N 3.15Å; T32-D34 PolarHBondContact OG1-OD1 2.93Å; D34-R36 PolarHBondContact O-N 3.12Å; D34-R36 PolarHBondContact OD1-N 3.1Å
35	K	89.8	Confident	93.8	Very high	166 Å²	166	46.4 Å²	46.4	72%	0.722	24%	0.24	S	C	*	.			trans	68.4	10.8	178.6	-52.4	-179	179.6	179.6	0	115.3	T32 P33	T32-K35 WeakPolarHBondContact O-CA 3.4Å; T32-K35 PolarHBondContact O-N 2.92Å; P33-K35 PolarHBondContact O-N 3.2Å
36	R	90.8	Very high	93.7	Very high	140 Å²	140	51.1 Å²	51.1	53%	0.528	26%	0.261	S	S	.	.			trans	-71.1	132.4	173	-176.9	171.9	71	-158.2	1.9	110.4	Q31 T32 D34 E38	Q31-R36 VanDerWaalsContact CA-O 3.31Å; Q31-R36 WeakPolarHBondContact CA-O 3.37Å; T32-R36 PolarHBondContact N-O 3.23Å; T32-R36 WeakPolarHBondContact OG1-CB 3.28Å; T32-R36 PolarHBondContact OG1-N 3.02Å; T32-R36 PolarHBondContact OG1-O 3Å; T32-R36 VanDerWaalsContact OG1-O 3.04Å; D34-R36 PolarHBondContact O-N 3.12Å; D34-R36 PolarHBondContact OD1-N 3.1Å; R36-E38 HydrophobicContact CG-CG 4.2Å; R36-E38 IonicContact CZ-OE1 2.79Å; R36-E38 IonicContact NE-OE1 3.28Å; R36-E38 PolarHBondContact NE-OE1 3.44Å; R36-E38 IonicContact NH2-OE1 2.85Å; R36-E38 PolarHBondContact NH2-OE1 3Å
37	L	91.3	Very high	93.7	Very high	116 Å²	116	52.5 Å²	52.5	61%	0.607	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	128.5	172.6	-73	170.4	0	0	0	109.8	V29 R30 Q31	V29-L37 HydrophobicContact CG1-CB 4.49Å; V29-L37 HydrophobicContact CG1-CD2 4.23Å; R30-L37 CarbonylContact O-C 3.55Å; R30-L37 WeakPolarHBondContact O-CA 3.49Å; Q31-L37 HydrophobicContact CB-CD2 3.78Å; Q31-L37 HydrophobicContact CG-CD2 4.12Å
38	E	93.6	Very high	93.6	Very high	32 Å²	32	55.8 Å²	55.8	15%	0.15	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	132.2	-178	-62.1	-178.5	169.6	0	0	110.4	V29 R30 R36	V29-E38 CarbonylContact C-O 3.49Å; V29-E38 VanDerWaalsContact CA-O 3.29Å; V29-E38 WeakPolarHBondContact CA-O 3.33Å; V29-E38 VanDerWaalsContact CG1-O 3.26Å; V29-E38 WeakPolarHBondContact CG1-O 3.31Å; R30-E38 HydrophobicContact CG-CB 4.01Å; R30-E38 IonicContact CZ-OE2 2.92Å; R30-E38 VanDerWaalsContact CZ-OE2 3.28Å; R30-E38 PolarHBondContact N-O 3.25Å; R30-E38 IonicContact NE-OE2 2.82Å; R30-E38 PolarHBondContact NE-OE2 2.75Å; R30-E38 IonicContact NH2-OE2 3.38Å; R30-E38 PolarHBondContact NH2-OE2 2.84Å; R30-E38 PolarHBondContact O-N 3.44Å; R36-E38 HydrophobicContact CG-CG 4.2Å; R36-E38 IonicContact CZ-OE1 2.79Å; R36-E38 IonicContact NE-OE1 3.28Å; R36-E38 PolarHBondContact NE-OE1 3.44Å; R36-E38 IonicContact NH2-OE1 2.85Å; R36-E38 PolarHBondContact NH2-OE1 3Å
39	L	93.8	Very high	93.6	Very high	52 Å²	52	59 Å²	59	27%	0.272	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	140.6	166.1	-175.2	64.7	0	0	0	109	V29 Y51 P53 F97	V29-L39 HydrophobicContact CG2-CD1 4.39Å; L39-Y51 HydrophobicContact CD2-CD1 3.95Å; L39-Y51 HydrophobicContact CD2-CE1 3.87Å; L39-P53 HydrophobicContact CB-CG 4.4Å; L39-P53 HydrophobicContact CG-CG 4.44Å; L39-P53 WeakPolarHBondContact O-CG 3.27Å; L39-F97 HydrophobicContact CD1-CE1 4.4Å; L39-F97 HydrophobicContact CD1-CZ 4.05Å
40	V	96.4	Very high	93.7	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	-47.9	178.2	178.6	0	0	0	0	110.5	W28 R30 P53 V56 F60 L73 Y86	W28-V40 HydrophobicContact CB-CB 4.04Å; W28-V40 HydrophobicContact CB-CG1 4.46Å; W28-V40 WeakPolarHBondContact O-CA 3.47Å; W28-V40 WeakPolarHBondContact O-CB 3.2Å; W28-V40 PolarHBondContact O-N 2.83Å; R30-V40 HydrophobicContact CB-CG2 3.79Å; R30-V40 HydrophobicContact CG-CG2 3.6Å; V40-P53 WeakPolarHBondContact O-CD 3.33Å; V40-V56 HydrophobicContact CG1-CG2 4.36Å; V40-V56 WeakPolarHBondContact O-CG2 3.37Å; V40-F60 HydrophobicContact CG1-CD2 3.62Å; V40-F60 HydrophobicContact CG1-CE2 4.02Å; V40-L73 HydrophobicContact CG1-CD1 4.44Å; V40-L73 HydrophobicContact CG1-CD2 3.88Å; V40-Y86 HydrophobicContact CG1-CE1 4.31Å; V40-Y86 HydrophobicContact CG2-CD1 4.29Å; V40-Y86 HydrophobicContact CG2-CE1 3.95Å
41	A	96.8	Very high	93.7	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	153.3	176.6	0	0	0	0	0	110.4	S27 W28 Y51 Y52 I62 L73	S27-A41 CarbonylContact C-O 3.49Å; S27-A41 WeakPolarHBondContact CA-O 3.01Å; S27-A41 WeakPolarHBondContact CB-O 3.36Å; W28-A41 PolarHBondContact N-O 2.81Å; W28-A41 PolarHBondContact O-N 2.85Å; A41-Y51 CarbonylContact C-O 3.48Å; A41-Y51 VanDerWaalsContact CA-O 3.29Å; A41-Y51 WeakPolarHBondContact CA-O 3.21Å; A41-Y52 HydrophobicContact CB-CD1 3.63Å; A41-Y52 HydrophobicContact CB-CE1 3.66Å; A41-I62 HydrophobicContact CB-CB 3.76Å; A41-I62 HydrophobicContact CB-CD1 3.95Å; A41-I62 HydrophobicContact CB-CG1 4.41Å; A41-I62 HydrophobicContact CB-CG2 3.95Å; A41-L73 HydrophobicContact CB-CD1 4.2Å
42	T	95.3	Very high	93.9	Very high	23 Å²	23	66.3 Å²	66.3	14%	0.141	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	143.9	173.4	-63.5	0	0	0	0	109.9	M26 S27 T50 Y51 L91	M26-T42 CarbonylContact O-C 3.53Å; M26-T42 WeakPolarHBondContact O-CA 3.47Å; S27-T42 PolarHBondContact OG-OG1 2.96Å; T42-T50 CarbonylContact O-C 3.59Å; T42-T50 WeakPolarHBondContact O-CA 3.49Å; T42-Y51 PolarHBondContact N-O 3.11Å; T42-Y51 PolarHBondContact O-N 3.18Å; T42-L91 HydrophobicContact CG2-CD1 3.58Å
43	I	95.5	Very high	93.9	Very high	6 Å²	6	66.6 Å²	66.6	3%	0.031	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	135.3	173	-171.9	161.8	0	0	0	109.6	G25 M26 S49 T50 I62 R64 L71	G25-I43 CarbonylContact C-O 3.5Å; G25-I43 WeakPolarHBondContact CA-O 3.43Å; M26-I43 HydrophobicContact CB-CG2 4.01Å; M26-I43 PolarHBondContact N-O 3.02Å; M26-I43 PolarHBondContact O-N 3.5Å; I43-S49 WeakPolarHBondContact CA-O 3.29Å; I43-T50 HydrophobicContact CB-CG2 4.1Å; I43-T50 HydrophobicContact CD1-CG2 3.92Å; I43-T50 HydrophobicContact CG1-CG2 3.83Å; I43-I62 HydrophobicContact CB-CD1 4.04Å; I43-I62 HydrophobicContact CB-CG1 4.24Å; I43-I62 HydrophobicContact CB-CG2 3.95Å; I43-I62 HydrophobicContact CG2-CD1 3.69Å; I43-I62 HydrophobicContact CG2-CG1 3.98Å; I43-R64 HydrophobicContact CD1-CB 4.37Å; I43-R64 HydrophobicContact CD1-CG 3.82Å; I43-L71 HydrophobicContact CG2-CD1 3.64Å
44	N	93.6	Very high	94.1	Very high	52 Å²	52	68 Å²	68	28%	0.278	37%	0.368	S	S	.	.			trans	-72.6	171.5	179	72.3	-15.6	0	0	0	112.4	N46 G47 G48 S49 R64	N44-N46 VanDerWaalsContact C-N 3.29Å; N44-N46 PolarHBondContact ND2-OD1 2.7Å; N44-N46 PolarHBondContact O-N 3.13Å; N44-N46 PolarHBondContact OD1-OD1 3.25Å; N44-G47 PolarHBondContact O-N 2.82Å; N44-G47 VanDerWaalsContact OD1-C 3.29Å; N44-G47 WeakPolarHBondContact OD1-CA 3.13Å; N44-G47 PolarHBondContact OD1-N 3.18Å; N44-G48 PolarHBondContact OD1-N 2.93Å; N44-S49 PolarHBondContact N-O 2.86Å; N44-S49 PolarHBondContact OD1-N 3.29Å; N44-S49 PolarHBondContact OD1-O 2.78Å; N44-R64 PolarHBondContact O-NH1 3.27Å
45	S	92.5	Very high	94.2	Very high	47 Å²	47	65.9 Å²	65.9	33%	0.329	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-36.4	-174.1	54.2	0	0	0	0	114.7	S22 Y24 R64	S22-S45 WeakPolarHBondContact O-CB 3.45Å; Y24-S45 VanDerWaalsContact O-CA 3.31Å; Y24-S45 WeakPolarHBondContact O-CA 3.21Å; S45-R64 VanDerWaalsContact C-NH1 3.28Å; S45-R64 PolarHBondContact O-NE 2.83Å; S45-R64 PolarHBondContact O-NH1 3.42Å; S45-R64 PolarHBondContact O-NH2 3.07Å
46	N	89.3	Confident	94.5	Very high	117 Å²	117	58 Å²	58	63%	0.626	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-4.6	178.7	68.3	10.6	0	0	0	114.3	N44 G48	N44-N46 VanDerWaalsContact C-N 3.29Å; N44-N46 PolarHBondContact ND2-OD1 2.7Å; N44-N46 PolarHBondContact O-N 3.13Å; N44-N46 PolarHBondContact OD1-OD1 3.25Å; N46-G48 VanDerWaalsContact C-N 3.28Å; N46-G48 PolarHBondContact O-N 3.48Å; N46-G48 PolarHBondContact OD1-N 2.98Å
47	G	92.6	Very high	94.8	Very high	29 Å²	29	57.5 Å²	57.5	30%	0.299	33%	0.329	S	S	.	.	S	Bend	trans	79.1	0.9	-179.2	0	0	0	0	0	115.8	N44	N44-G47 PolarHBondContact O-N 2.82Å; N44-G47 VanDerWaalsContact OD1-C 3.29Å; N44-G47 WeakPolarHBondContact OD1-CA 3.13Å; N44-G47 PolarHBondContact OD1-N 3.18Å
48	G	93.5	Very high	95	Very high	69 Å²	69	55.9 Å²	55.9	71%	0.711	34%	0.34	S	S	*	.	S	Bend	trans	-79	-15	-176.4	0	0	0	0	0	115.1	N44 N46	N44-G48 PolarHBondContact OD1-N 2.93Å; N46-G48 VanDerWaalsContact C-N 3.28Å; N46-G48 PolarHBondContact O-N 3.48Å; N46-G48 PolarHBondContact OD1-N 2.98Å
49	S	95	Very high	95.2	Very high	72 Å²	72	56 Å²	56	50%	0.503	34%	0.339	S	S	.	.			trans	-133.8	136.9	179	-173.4	0	0	0	0	111.2	I43 N44	I43-S49 WeakPolarHBondContact CA-O 3.29Å; N44-S49 PolarHBondContact N-O 2.86Å; N44-S49 PolarHBondContact OD1-N 3.29Å; N44-S49 PolarHBondContact OD1-O 2.78Å
50	T	97.1	Very high	95.4	Very high	63 Å²	63	53.7 Å²	53.7	39%	0.387	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	149.7	178	58.4	0	0	0	0	111.2	T42 I43 Y52 I62	T42-T50 CarbonylContact O-C 3.59Å; T42-T50 WeakPolarHBondContact O-CA 3.49Å; I43-T50 HydrophobicContact CB-CG2 4.1Å; I43-T50 HydrophobicContact CD1-CG2 3.92Å; I43-T50 HydrophobicContact CG1-CG2 3.83Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.15Å; T50-I62 HydrophobicContact CG2-CG2 3.67Å
51	Y	96.4	Very high	95.5	Very high	138 Å²	138	57.3 Å²	57.3	54%	0.541	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	140.6	174.2	173.5	-95.9	0	0	0	110.2	L39 A41 T42 P53	L39-Y51 HydrophobicContact CD2-CD1 3.95Å; L39-Y51 HydrophobicContact CD2-CE1 3.87Å; A41-Y51 CarbonylContact C-O 3.48Å; A41-Y51 VanDerWaalsContact CA-O 3.29Å; A41-Y51 WeakPolarHBondContact CA-O 3.21Å; T42-Y51 PolarHBondContact N-O 3.11Å; T42-Y51 PolarHBondContact O-N 3.18Å; Y51-P53 HydrophobicContact CE1-CG 4Å
52	Y	97.4	Very high	95.6	Very high	40 Å²	40	57.7 Å²	57.7	16%	0.157	35%	0.351	C	S	.	.			trans	-136.8	130.3	177.6	-55.5	-87.1	0	0	0	109.3	A41 T50 F60 T61 I62	A41-Y52 HydrophobicContact CB-CD1 3.63Å; A41-Y52 HydrophobicContact CB-CE1 3.66Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.15Å; Y52-F60 VanDerWaalsContact CE1-O 3.26Å; Y52-F60 WeakPolarHBondContact CE1-O 3.45Å; Y52-T61 WeakPolarHBondContact OH-CA 3.12Å; Y52-I62 HydrophobicContact CE1-CB 4.29Å; Y52-I62 HydrophobicContact CE1-CG2 3.94Å; Y52-I62 WeakPolarHBondContact OH-CG2 3.3Å; Y52-I62 PolarHBondContact OH-N 2.86Å
53	P	96.3	Very high	95.7	Very high	22 Å²	22	58.8 Å²	58.8	14%	0.143	36%	0.36	C	S	.	.			trans	-65.2	154.8	167.5	-21.2	35.5	0	0	0	111.8	L39 V40 Y51 S55 V56 K57	L39-P53 HydrophobicContact CB-CG 4.4Å; L39-P53 HydrophobicContact CG-CG 4.44Å; L39-P53 WeakPolarHBondContact O-CG 3.27Å; V40-P53 WeakPolarHBondContact O-CD 3.33Å; Y51-P53 HydrophobicContact CE1-CG 4Å; P53-S55 PolarHBondContact O-N 2.67Å; P53-S55 VanDerWaalsContact O-N 3.1Å; P53-V56 PolarHBondContact O-N 2.87Å; P53-V56 VanDerWaalsContact O-N 3.12Å; P53-K57 WeakPolarHBondContact O-CB 3.5Å; P53-K57 PolarHBondContact O-N 2.99Å
54	D	96.4	Very high	95.8	Very high	136 Å²	136	60.1 Å²	60.1	73%	0.727	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-25.9	-175.8	-65.6	-33	0	0	0	113.7	V56	D54-V56 PolarHBondContact O-N 3.37Å
55	S	94.5	Very high	95.9	Very high	63 Å²	63	59.5 Å²	59.5	44%	0.441	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-28.2	177.4	56.5	0	0	0	0	114.1	P53 R59	P53-S55 PolarHBondContact O-N 2.67Å; P53-S55 VanDerWaalsContact O-N 3.1Å; S55-R59 PolarHBondContact O-NH2 2.78Å
56	V	97	Very high	95.9	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.7	-6.6	-175.4	-59.8	0	0	0	0	113.4	V40 P53 D54 G58 R59 F60	V40-V56 HydrophobicContact CG1-CG2 4.36Å; V40-V56 WeakPolarHBondContact O-CG2 3.37Å; P53-V56 PolarHBondContact O-N 2.87Å; P53-V56 VanDerWaalsContact O-N 3.12Å; D54-V56 PolarHBondContact O-N 3.37Å; V56-G58 PolarHBondContact O-N 2.91Å; V56-R59 WeakPolarHBondContact O-CB 3.06Å; V56-R59 PolarHBondContact O-N 3.41Å; V56-F60 HydrophobicContact CB-CB 4.24Å; V56-F60 HydrophobicContact CB-CD2 3.64Å; V56-F60 HydrophobicContact CB-CE2 4.01Å; V56-F60 HydrophobicContact CB-CG 3.89Å; V56-F60 HydrophobicContact CG1-CD2 3.67Å; V56-F60 HydrophobicContact CG1-CE2 3.52Å; V56-F60 HydrophobicContact CG1-CG 4.35Å; V56-F60 HydrophobicContact CG1-CZ 4.08Å; V56-F60 HydrophobicContact CG2-CD2 4.25Å; V56-F60 PolarHBondContact O-N 3.09Å; V56-F60 VanDerWaalsContact O-N 3.09Å
57	K	95.9	Very high	96.1	Very high	131 Å²	131	59.3 Å²	59.3	57%	0.57	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	133.4	-179.8	-166.9	172.6	-174.9	177.6	0	111	P53 R59	P53-K57 WeakPolarHBondContact O-CB 3.5Å; P53-K57 PolarHBondContact O-N 2.99Å; K57-R59 PolarHBondContact O-N 3.42Å
58	G	96.8	Very high	96.2	Very high	82 Å²	82	64.1 Å²	64.1	85%	0.845	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	-6.6	-176.9	0	0	0	0	0	115.1	V56	V56-G58 PolarHBondContact O-N 2.91Å
59	R	97.9	Very high	96.2	Very high	34 Å²	34	64 Å²	64	13%	0.128	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111	-38.1	177.4	-62.1	-167.9	-57.4	116.5	0.9	112.6	S55 V56 K57 S76 S77 D82	S55-R59 PolarHBondContact O-NH2 2.78Å; V56-R59 WeakPolarHBondContact O-CB 3.06Å; V56-R59 PolarHBondContact O-N 3.41Å; K57-R59 PolarHBondContact O-N 3.42Å; R59-S76 WeakPolarHBondContact CB-O 3.04Å; R59-S76 WeakPolarHBondContact O-CB 3.18Å; R59-S76 PolarHBondContact O-N 3.35Å; R59-S77 PolarHBondContact NH1-O 3.01Å; R59-D82 IonicContact CZ-OD1 2.99Å; R59-D82 IonicContact CZ-OD2 3.18Å; R59-D82 IonicContact NH1-OD1 2.73Å; R59-D82 IonicContact NH1-OD2 3.93Å; R59-D82 PolarHBondContact NH1-OD2 2.84Å; R59-D82 IonicContact NH2-OD1 3.91Å; R59-D82 PolarHBondContact NH2-OD1 2.8Å; R59-D82 IonicContact NH2-OD2 2.67Å; R59-D82 PolarHBondContact NH2-OD2 2.99Å
60	F	98.2	Very high	96.2	Very high	4 Å²	4	61.2 Å²	61.2	2%	0.018	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	147.1	-175.8	-64.5	6	0	0	0	111.2	V40 Y52 V56 L73 Q74 M75 L78 D82	V40-F60 HydrophobicContact CG1-CD2 3.62Å; V40-F60 HydrophobicContact CG1-CE2 4.02Å; Y52-F60 VanDerWaalsContact CE1-O 3.26Å; Y52-F60 WeakPolarHBondContact CE1-O 3.45Å; V56-F60 HydrophobicContact CB-CB 4.24Å; V56-F60 HydrophobicContact CB-CD2 3.64Å; V56-F60 HydrophobicContact CB-CE2 4.01Å; V56-F60 HydrophobicContact CB-CG 3.89Å; V56-F60 HydrophobicContact CG1-CD2 3.67Å; V56-F60 HydrophobicContact CG1-CE2 3.52Å; V56-F60 HydrophobicContact CG1-CG 4.35Å; V56-F60 HydrophobicContact CG1-CZ 4.08Å; V56-F60 HydrophobicContact CG2-CD2 4.25Å; V56-F60 PolarHBondContact O-N 3.09Å; V56-F60 VanDerWaalsContact O-N 3.09Å; F60-L73 HydrophobicContact CB-CD1 4.23Å; F60-L73 HydrophobicContact CD2-CD2 4.27Å; F60-Q74 CarbonylContact C-O 3.49Å; F60-Q74 VanDerWaalsContact CA-O 3.23Å; F60-Q74 WeakPolarHBondContact CA-O 3.23Å; F60-M75 HydrophobicContact CD1-CB 3.85Å; F60-M75 HydrophobicContact CD1-CG 4.2Å; F60-M75 HydrophobicContact CD2-CE 4.31Å; F60-M75 HydrophobicContact CD2-CG 4.15Å; F60-M75 HydrophobicContact CE1-CB 3.76Å; F60-M75 HydrophobicContact CE1-CE 4.23Å; F60-M75 HydrophobicContact CE1-CG 4.21Å; F60-M75 HydrophobicContact CE2-CE 3.45Å; F60-M75 VanDerWaalsContact CE2-CE 3.45Å; F60-M75 HydrophobicContact CE2-CG 4.14Å; F60-M75 HydrophobicContact CG-CB 4.35Å; F60-M75 HydrophobicContact CG-CG 4.21Å; F60-M75 HydrophobicContact CZ-CB 4.16Å; F60-M75 HydrophobicContact CZ-CE 3.42Å; F60-M75 VanDerWaalsContact CZ-CE 3.42Å; F60-M75 HydrophobicContact CZ-CG 4.19Å; F60-L78 HydrophobicContact CE1-CD2 4.04Å; F60-L78 HydrophobicContact CZ-CD2 3.95Å; F60-D82 HydrophobicContact CZ-CB 4.22Å
61	T	98.3	Very high	96.2	Very high	76 Å²	76	58.2 Å²	58.2	47%	0.466	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	117.2	179	-54.1	0	0	0	0	110	Y52 Q74	Y52-T61 WeakPolarHBondContact OH-CA 3.12Å; T61-Q74 PolarHBondContact N-O 3.21Å; T61-Q74 PolarHBondContact O-N 2.79Å
62	I	98.1	Very high	96.2	Very high	7 Å²	7	53.9 Å²	53.9	4%	0.036	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	139.8	172	-167.3	169.1	0	0	0	109.6	A41 I43 T50 Y52 L71 Y72 L73	A41-I62 HydrophobicContact CB-CB 3.76Å; A41-I62 HydrophobicContact CB-CD1 3.95Å; A41-I62 HydrophobicContact CB-CG1 4.41Å; A41-I62 HydrophobicContact CB-CG2 3.95Å; I43-I62 HydrophobicContact CB-CD1 4.04Å; I43-I62 HydrophobicContact CB-CG1 4.24Å; I43-I62 HydrophobicContact CB-CG2 3.95Å; I43-I62 HydrophobicContact CG2-CD1 3.69Å; I43-I62 HydrophobicContact CG2-CG1 3.98Å; T50-I62 HydrophobicContact CG2-CG2 3.67Å; Y52-I62 HydrophobicContact CE1-CB 4.29Å; Y52-I62 HydrophobicContact CE1-CG2 3.94Å; Y52-I62 WeakPolarHBondContact OH-CG2 3.3Å; Y52-I62 PolarHBondContact OH-N 2.86Å; I62-L71 HydrophobicContact CD1-CD1 3.98Å; I62-L71 HydrophobicContact CD1-CD2 4.31Å; I62-L71 HydrophobicContact CD1-CG 4.4Å; I62-L71 HydrophobicContact CG1-CD1 3.96Å; I62-L71 HydrophobicContact CG1-CG 4.43Å; I62-Y72 WeakPolarHBondContact CA-O 3.43Å; I62-L73 HydrophobicContact CB-CD1 4.36Å
63	S	97.8	Very high	96.3	Very high	47 Å²	47	52 Å²	52	33%	0.329	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	161.5	172.8	53.1	0	0	0	0	110.1	Y72	S63-Y72 PolarHBondContact N-O 2.88Å; S63-Y72 PolarHBondContact O-N 2.81Å
64	R	96.2	Very high	96.4	Very high	34 Å²	34	53.9 Å²	53.9	13%	0.128	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	148.9	-177.3	65	-178.2	-68.1	154.3	6.5	111	F21 Y24 I43 N44 S45 N66 T70 L71	F21-R64 HydrophobicContact CE1-CB 4.14Å; F21-R64 HydrophobicContact CZ-CB 4.01Å; F21-R64 PolarHBondContact O-NH2 2.99Å; Y24-R64 PolarHBondContact O-NH1 3.31Å; I43-R64 HydrophobicContact CD1-CB 4.37Å; I43-R64 HydrophobicContact CD1-CG 3.82Å; N44-R64 PolarHBondContact O-NH1 3.27Å; S45-R64 VanDerWaalsContact C-NH1 3.28Å; S45-R64 PolarHBondContact O-NE 2.83Å; S45-R64 PolarHBondContact O-NH1 3.42Å; S45-R64 PolarHBondContact O-NH2 3.07Å; R64-N66 PolarHBondContact NE-OD1 2.79Å; R64-N66 PolarHBondContact NH2-OD1 3.34Å; R64-T70 WeakPolarHBondContact CA-O 3.18Å; R64-L71 HydrophobicContact CB-CD1 4.14Å
65	D	95.8	Very high	96.4	Very high	38 Å²	38	47.4 Å²	47.4	20%	0.203	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	108.4	170.4	-175.7	-25.8	0	0	0	108.3	A67 K68 N69 T70 Y72	D65-A67 WeakPolarHBondContact OD1-CB 2.96Å; D65-A67 PolarHBondContact OD1-N 3.2Å; D65-K68 HydrophobicContact CB-CB 4.17Å; D65-K68 PolarHBondContact O-N 2.94Å; D65-K68 PolarHBondContact OD1-N 2.77Å; D65-K68 WeakPolarHBondContact OD2-CD 3.36Å; D65-K68 VanDerWaalsContact OD2-CG 3.3Å; D65-K68 WeakPolarHBondContact OD2-CG 2.83Å; D65-K68 IonicContact OD2-NZ 2.65Å; D65-K68 PolarHBondContact OD2-NZ 2.88Å; D65-N69 WeakPolarHBondContact O-CA 3.49Å; D65-N69 PolarHBondContact O-N 2.85Å; D65-T70 PolarHBondContact N-O 2.83Å; D65-T70 PolarHBondContact O-N 2.03Å; D65-Y72 HydrophobicContact CB-CE2 3.93Å
66	N	93.8	Very high	96.6	Very high	64 Å²	64	46.3 Å²	46.3	34%	0.342	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-27.8	-178	-74.5	-12	0	0	0	113	F21 R64 K68 N69	F21-N66 WeakPolarHBondContact CD1-OD1 3.32Å; F21-N66 VanDerWaalsContact CE1-OD1 3.29Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.5Å; R64-N66 PolarHBondContact NE-OD1 2.79Å; R64-N66 PolarHBondContact NH2-OD1 3.34Å; N66-K68 VanDerWaalsContact C-N 3.33Å; N66-N69 PolarHBondContact O-OD1 2.78Å
67	A	93.3	Very high	96.5	Very high	97 Å²	97	49.5 Å²	49.5	80%	0.802	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-33.7	176.9	0	0	0	0	0	110.8	D65	D65-A67 WeakPolarHBondContact OD1-CB 2.96Å; D65-A67 PolarHBondContact OD1-N 3.2Å
68	K	94.7	Very high	96.6	Very high	130 Å²	130	43.3 Å²	43.3	57%	0.565	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	1	177	-59.9	-167.5	-169.1	94.6	0	114.3	D65 N66 T70	D65-K68 HydrophobicContact CB-CB 4.17Å; D65-K68 PolarHBondContact O-N 2.94Å; D65-K68 PolarHBondContact OD1-N 2.77Å; D65-K68 WeakPolarHBondContact OD2-CD 3.36Å; D65-K68 VanDerWaalsContact OD2-CG 3.3Å; D65-K68 WeakPolarHBondContact OD2-CG 2.83Å; D65-K68 IonicContact OD2-NZ 2.65Å; D65-K68 PolarHBondContact OD2-NZ 2.88Å; N66-K68 VanDerWaalsContact C-N 3.33Å; K68-T70 PolarHBondContact O-N 2.85Å; K68-T70 VanDerWaalsContact O-N 3.12Å; K68-T70 PolarHBondContact O-OG1 2.83Å
69	N	93.3	Very high	96.5	Very high	66 Å²	66	43.8 Å²	43.8	35%	0.353	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.2	40.3	-172.7	-63.1	-37.7	0	0	0	112.7	A16 F21 D65 N66	A16-N69 HydrophobicContact CB-CB 4.22Å; A16-N69 VanDerWaalsContact CB-O 3.28Å; A16-N69 WeakPolarHBondContact CB-O 3.47Å; A16-N69 PolarHBondContact N-O 2.84Å; F21-N69 HydrophobicContact CB-CB 3.99Å; F21-N69 WeakPolarHBondContact CB-OD1 3.31Å; F21-N69 HydrophobicContact CD1-CB 4.45Å; F21-N69 HydrophobicContact CG-CB 4.2Å; D65-N69 WeakPolarHBondContact O-CA 3.49Å; D65-N69 PolarHBondContact O-N 2.85Å; N66-N69 PolarHBondContact O-OD1 2.78Å
70	T	95.4	Very high	96.3	Very high	14 Å²	14	44.8 Å²	44.8	9%	0.086	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	131.7	-170.8	-57.9	0	0	0	0	111.4	C14 R64 D65 K68 Y72	C14-T70 CarbonylContact O-C 3.46Å; C14-T70 WeakPolarHBondContact O-CA 3.42Å; R64-T70 WeakPolarHBondContact CA-O 3.18Å; D65-T70 PolarHBondContact N-O 2.83Å; D65-T70 PolarHBondContact O-N 2.03Å; K68-T70 PolarHBondContact O-N 2.85Å; K68-T70 VanDerWaalsContact O-N 3.12Å; K68-T70 PolarHBondContact O-OG1 2.83Å; T70-Y72 HydrophobicContact CG2-CD1 4.15Å; T70-Y72 HydrophobicContact CG2-CD2 4.37Å; T70-Y72 HydrophobicContact CG2-CE1 3.53Å; T70-Y72 HydrophobicContact CG2-CE2 3.78Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.38Å
71	L	96.5	Very high	96.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	137.8	171.5	-168.9	69.7	0	0	0	110.1	S13 C14 F21 M26 W28 I43 I62 R64 C88	S13-L71 CarbonylContact C-O 3.52Å; S13-L71 VanDerWaalsContact CA-O 3.29Å; S13-L71 WeakPolarHBondContact CA-O 3.33Å; C14-L71 PolarHBondContact N-O 2.93Å; C14-L71 PolarHBondContact O-N 2.65Å; F21-L71 HydrophobicContact CE2-CB 4.27Å; F21-L71 HydrophobicContact CZ-CB 4.32Å; M26-L71 HydrophobicContact CB-CD1 3.71Å; M26-L71 HydrophobicContact CB-CD2 3.93Å; M26-L71 HydrophobicContact CB-CG 4.39Å; M26-L71 HydrophobicContact CG-CD1 4.38Å; W28-L71 HydrophobicContact CG-CD2 4.35Å; I43-L71 HydrophobicContact CG2-CD1 3.64Å; I62-L71 HydrophobicContact CD1-CD1 3.98Å; I62-L71 HydrophobicContact CD1-CD2 4.31Å; I62-L71 HydrophobicContact CD1-CG 4.4Å; I62-L71 HydrophobicContact CG1-CD1 3.96Å; I62-L71 HydrophobicContact CG1-CG 4.43Å; R64-L71 HydrophobicContact CB-CD1 4.14Å; L71-C88 HydrophobicContact CD2-CB 4.26Å
72	Y	97.5	Very high	96	Very high	47 Å²	47	46.8 Å²	46.8	18%	0.184	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	147.2	178.9	-57.1	-79.9	0	0	0	111.3	L12 I62 S63 D65 T70	L12-Y72 VanDerWaalsContact O-CA 3.25Å; L12-Y72 WeakPolarHBondContact O-CA 3.4Å; I62-Y72 WeakPolarHBondContact CA-O 3.43Å; S63-Y72 PolarHBondContact N-O 2.88Å; S63-Y72 PolarHBondContact O-N 2.81Å; D65-Y72 HydrophobicContact CB-CE2 3.93Å; T70-Y72 HydrophobicContact CG2-CD1 4.15Å; T70-Y72 HydrophobicContact CG2-CD2 4.37Å; T70-Y72 HydrophobicContact CG2-CE1 3.53Å; T70-Y72 HydrophobicContact CG2-CE2 3.78Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.38Å
73	L	98.1	Very high	96	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	109.6	168.7	-172.3	68.5	0	0	0	108.6	K11 L12 W28 V40 A41 F60 I62 M75 Y86	K11-L73 CarbonylContact C-O 3.6Å; K11-L73 WeakPolarHBondContact CA-O 3.38Å; L12-L73 HydrophobicContact CB-CB 4.28Å; L12-L73 HydrophobicContact CD1-CD2 4.42Å; L12-L73 PolarHBondContact N-O 2.47Å; L12-L73 PolarHBondContact O-N 3.15Å; W28-L73 HydrophobicContact CB-CD2 4.21Å; W28-L73 HydrophobicContact CD2-CB 4.12Å; W28-L73 HydrophobicContact CD2-CD2 4.28Å; W28-L73 HydrophobicContact CG-CB 4.09Å; W28-L73 HydrophobicContact CG-CD1 4.42Å; W28-L73 HydrophobicContact CG-CD2 4.03Å; W28-L73 HydrophobicContact CG-CG 4.42Å; W28-L73 HydrophobicContact CZ2-CB 4.39Å; V40-L73 HydrophobicContact CG1-CD1 4.44Å; V40-L73 HydrophobicContact CG1-CD2 3.88Å; A41-L73 HydrophobicContact CB-CD1 4.2Å; F60-L73 HydrophobicContact CB-CD1 4.23Å; F60-L73 HydrophobicContact CD2-CD2 4.27Å; I62-L73 HydrophobicContact CB-CD1 4.36Å; L73-M75 HydrophobicContact CD2-CG 3.8Å; L73-M75 HydrophobicContact CD2-SD 4.06Å; L73-M75 HydrophobicContact CG-CG 3.83Å; L73-Y86 HydrophobicContact CD2-CD1 4.27Å; L73-Y86 HydrophobicContact CD2-CE1 4.39Å
74	Q	98.3	Very high	96	Very high	62 Å²	62	46.2 Å²	46.2	29%	0.29	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	122.2	166.7	-176.9	63	43.3	0	0	107.8	F60 T61	F60-Q74 CarbonylContact C-O 3.49Å; F60-Q74 VanDerWaalsContact CA-O 3.23Å; F60-Q74 WeakPolarHBondContact CA-O 3.23Å; T61-Q74 PolarHBondContact N-O 3.21Å; T61-Q74 PolarHBondContact O-N 2.79Å
75	M	97.9	Very high	96	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	118.8	178.9	-55.1	169.5	80.2	0	0	107.7	S9 L10 L12 F60 L73 L78 Y86	S9-M75 CarbonylContact C-O 3.4Å; S9-M75 WeakPolarHBondContact CA-O 3.36Å; S9-M75 WeakPolarHBondContact CB-O 3.14Å; L10-M75 PolarHBondContact N-O 2.9Å; L10-M75 PolarHBondContact O-N 3.03Å; L12-M75 HydrophobicContact CD1-SD 3.81Å; L12-M75 HydrophobicContact CG-SD 3.97Å; F60-M75 HydrophobicContact CD1-CB 3.85Å; F60-M75 HydrophobicContact CD1-CG 4.2Å; F60-M75 HydrophobicContact CD2-CE 4.31Å; F60-M75 HydrophobicContact CD2-CG 4.15Å; F60-M75 HydrophobicContact CE1-CB 3.76Å; F60-M75 HydrophobicContact CE1-CE 4.23Å; F60-M75 HydrophobicContact CE1-CG 4.21Å; F60-M75 HydrophobicContact CE2-CE 3.45Å; F60-M75 VanDerWaalsContact CE2-CE 3.45Å; F60-M75 HydrophobicContact CE2-CG 4.14Å; F60-M75 HydrophobicContact CG-CB 4.35Å; F60-M75 HydrophobicContact CG-CG 4.21Å; F60-M75 HydrophobicContact CZ-CB 4.16Å; F60-M75 HydrophobicContact CZ-CE 3.42Å; F60-M75 VanDerWaalsContact CZ-CE 3.42Å; F60-M75 HydrophobicContact CZ-CG 4.19Å; L73-M75 HydrophobicContact CD2-CG 3.8Å; L73-M75 HydrophobicContact CD2-SD 4.06Å; L73-M75 HydrophobicContact CG-CG 3.83Å; M75-L78 HydrophobicContact CB-CD2 3.93Å; M75-L78 HydrophobicContact CB-CG 4.29Å; M75-L78 HydrophobicContact CE-CD2 3.58Å; M75-L78 HydrophobicContact SD-CD2 4.43Å; M75-Y86 HydrophobicContact CE-CD1 4.42Å; M75-Y86 HydrophobicContact CE-CE1 3.61Å; M75-Y86 HydrophobicContact CE-CE2 4.03Å; M75-Y86 WeakPolarHBondContact CE-OH 3.3Å
76	S	97.4	Very high	96	Very high	39 Å²	39	45.6 Å²	45.6	27%	0.273	25%	0.252	S	S	.	.			trans	-118.9	156.5	178.2	-55.5	0	0	0	0	110.3	R59 L78	R59-S76 WeakPolarHBondContact CB-O 3.04Å; R59-S76 WeakPolarHBondContact O-CB 3.18Å; R59-S76 PolarHBondContact O-N 3.35Å; S76-L78 VanDerWaalsContact C-N 3.27Å; S76-L78 PolarHBondContact O-N 3.03Å
77	S	96.4	Very high	96.1	Very high	68 Å²	68	44.6 Å²	44.6	48%	0.476	24%	0.243	S	C	.	.	S	Bend	trans	49.8	50.4	179.3	-54.2	0	0	0	0	111.8	G8 R59	G8-S77 PolarHBondContact O-N 2.84Å; R59-S77 PolarHBondContact NH1-O 3.01Å
78	L	96.8	Very high	96.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.207	C	C	.	.			trans	-59.4	139.6	-179.3	-80.1	168.5	0	0	0	111.1	V4 G7 G8 L10 F60 M75 S76 D82 V108	V4-L78 HydrophobicContact CB-CD1 3.95Å; V4-L78 HydrophobicContact CG1-CD1 3.91Å; V4-L78 HydrophobicContact CG2-CD1 4.09Å; G7-L78 PolarHBondContact N-O 2.94Å; G8-L78 PolarHBondContact O-N 3.31Å; L10-L78 HydrophobicContact CB-CD1 4.12Å; F60-L78 HydrophobicContact CE1-CD2 4.04Å; F60-L78 HydrophobicContact CZ-CD2 3.95Å; M75-L78 HydrophobicContact CB-CD2 3.93Å; M75-L78 HydrophobicContact CB-CG 4.29Å; M75-L78 HydrophobicContact CE-CD2 3.58Å; M75-L78 HydrophobicContact SD-CD2 4.43Å; S76-L78 VanDerWaalsContact C-N 3.27Å; S76-L78 PolarHBondContact O-N 3.03Å; L78-D82 HydrophobicContact CD2-CB 3.82Å; L78-V108 HydrophobicContact CB-CG1 4.27Å; L78-V108 HydrophobicContact CB-CG2 3.97Å; L78-V108 HydrophobicContact CD1-CG2 4.4Å; L78-V108 HydrophobicContact CD2-CG2 4.26Å; L78-V108 HydrophobicContact CG-CG2 4.45Å
79	K	95.8	Very high	95.9	Very high	92 Å²	92	34 Å²	34	40%	0.4	18%	0.18	S	C	.	.			trans	-116.1	164.1	176.6	-52.1	179.8	179.9	-179	0	110.7	E81 D82 V108	K79-E81 WeakPolarHBondContact CB-OE2 3.46Å; K79-E81 PolarHBondContact O-N 3.39Å; K79-D82 PolarHBondContact N-OD2 2.87Å; K79-D82 WeakPolarHBondContact O-CB 3.42Å; K79-D82 PolarHBondContact O-N 2.78Å; K79-V108 WeakPolarHBondContact O-CB 3.3Å; K79-V108 WeakPolarHBondContact O-CG2 3.49Å
80	S	93.8	Very high	95.7	Very high	55 Å²	55	30.9 Å²	30.9	39%	0.385	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-56	-35.1	177.4	50.2	0	0	0	0	111.8	D82 T83	S80-D82 PolarHBondContact O-N 3.01Å; S80-T83 VanDerWaalsContact O-CB 3.28Å; S80-T83 WeakPolarHBondContact O-CB 3.39Å; S80-T83 PolarHBondContact O-N 2.82Å; S80-T83 VanDerWaalsContact O-N 3.12Å; S80-T83 PolarHBondContact O-OG1 3.03Å
81	E	94.1	Very high	94.7	Very high	121 Å²	121	32 Å²	32	57%	0.565	17%	0.169	S	C	*	.	G	3₁₀ helix	trans	-69.4	-11.7	177.8	-51.2	82.8	-172.8	0	0	113.7	K79 T83	K79-E81 WeakPolarHBondContact CB-OE2 3.46Å; K79-E81 PolarHBondContact O-N 3.39Å; E81-T83 VanDerWaalsContact C-N 3.26Å
82	D	96.2	Very high	93.1	Very high	2 Å²	2	40 Å²	40	1%	0.011	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-83.7	-2.8	173.8	-60	-47.6	0	0	0	113	R30 R59 F60 L78 K79 S80 A84 Y86 V108	R30-D82 IonicContact NH1-OD1 3.1Å; R30-D82 PolarHBondContact NH1-OD1 3.12Å; R59-D82 IonicContact CZ-OD1 2.99Å; R59-D82 IonicContact CZ-OD2 3.18Å; R59-D82 IonicContact NH1-OD1 2.73Å; R59-D82 IonicContact NH1-OD2 3.93Å; R59-D82 PolarHBondContact NH1-OD2 2.84Å; R59-D82 IonicContact NH2-OD1 3.91Å; R59-D82 PolarHBondContact NH2-OD1 2.8Å; R59-D82 IonicContact NH2-OD2 2.67Å; R59-D82 PolarHBondContact NH2-OD2 2.99Å; F60-D82 HydrophobicContact CZ-CB 4.22Å; L78-D82 HydrophobicContact CD2-CB 3.82Å; K79-D82 PolarHBondContact N-OD2 2.87Å; K79-D82 WeakPolarHBondContact O-CB 3.42Å; K79-D82 PolarHBondContact O-N 2.78Å; S80-D82 PolarHBondContact O-N 3.01Å; D82-A84 PolarHBondContact O-N 3.07Å; D82-Y86 VanDerWaalsContact O-CE2 3.31Å; D82-Y86 WeakPolarHBondContact O-CE2 3.36Å; D82-Y86 PolarHBondContact O-OH 3.42Å; D82-V108 HydrophobicContact CB-CG2 4.43Å
83	T	96.9	Very high	91.2	Very high	36 Å²	36	40.5 Å²	40.5	22%	0.221	21%	0.209	C	C	.	.			trans	-64.8	112.3	172.8	-63.4	0	0	0	0	110.2	P33 S80 E81 V106 T107 V108	P33-T83 WeakPolarHBondContact CD-O 3.2Å; S80-T83 VanDerWaalsContact O-CB 3.28Å; S80-T83 WeakPolarHBondContact O-CB 3.39Å; S80-T83 PolarHBondContact O-N 2.82Å; S80-T83 VanDerWaalsContact O-N 3.12Å; S80-T83 PolarHBondContact O-OG1 3.03Å; E81-T83 VanDerWaalsContact C-N 3.26Å; T83-V106 WeakPolarHBondContact CA-O 3.45Å; T83-T107 HydrophobicContact CG2-CG2 4.39Å; T83-V108 PolarHBondContact OG1-N 2.99Å
84	A	97	Very high	89.3	Confident	5 Å²	5	50.7 Å²	50.7	4%	0.041	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	169.6	-176.3	0	0	0	0	0	110.9	R30 Q31 D82 Y86 V106	R30-A84 HydrophobicContact CB-CB 3.85Å; R30-A84 HydrophobicContact CG-CB 4.14Å; Q31-A84 WeakPolarHBondContact O-CA 3.38Å; Q31-A84 WeakPolarHBondContact O-CB 3.48Å; D82-A84 PolarHBondContact O-N 3.07Å; A84-Y86 HydrophobicContact CB-CD2 4.28Å; A84-Y86 HydrophobicContact CB-CE2 3.75Å; A84-Y86 WeakPolarHBondContact O-CD2 3.26Å; A84-V106 PolarHBondContact N-O 3.47Å; A84-V106 VanDerWaalsContact N-O 3.11Å; A84-V106 PolarHBondContact O-N 3.38Å
85	M	96.8	Very high	87.4	Confident	58 Å²	58	59 Å²	59	29%	0.286	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	122.5	163.9	-171.8	69.4	73.1	0	0	109	R30 Q31 Y87 T104 T105	R30-M85 CarbonylContact C-O 3.59Å; R30-M85 WeakPolarHBondContact CA-O 3.35Å; Q31-M85 HydrophobicContact CB-CB 4.46Å; Q31-M85 PolarHBondContact N-O 3.02Å; Q31-M85 PolarHBondContact O-N 2.96Å; M85-Y87 HydrophobicContact CB-CE2 3.83Å; M85-Y87 HydrophobicContact CG-CD2 4.36Å; M85-Y87 HydrophobicContact CG-CE1 4.04Å; M85-Y87 HydrophobicContact CG-CE2 3.48Å; M85-Y87 VanDerWaalsContact CG-CE2 3.48Å; M85-Y87 WeakPolarHBondContact CG-OH 3.29Å; M85-Y87 WeakPolarHBondContact O-CE2 3.4Å; M85-T104 PolarHBondContact SD-N 3.25Å; M85-T104 VanDerWaalsContact SD-N 3.44Å; M85-T105 WeakPolarHBondContact CE-OG1 3.45Å; M85-T105 PolarHBondContact SD-N 2.98Å; M85-T105 PolarHBondContact SD-OG1 2.84Å
86	Y	96.8	Very high	85.7	Confident	1 Å²	1	67.1 Å²	67.1	0%	0.004	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	131.7	-177.5	-73.6	-102.4	0	0	0	111	L12 R30 V40 L73 M75 D82 A84 G103 T104 V106	L12-Y86 HydrophobicContact CD1-CD1 4.13Å; L12-Y86 HydrophobicContact CD1-CD2 4.45Å; L12-Y86 HydrophobicContact CD1-CG 3.85Å; R30-Y86 HydrophobicContact CB-CD1 3.85Å; R30-Y86 HydrophobicContact CB-CD2 4.41Å; R30-Y86 HydrophobicContact CB-CE1 3.8Å; R30-Y86 HydrophobicContact CB-CE2 4.35Å; R30-Y86 HydrophobicContact CB-CG 4.15Å; R30-Y86 WeakPolarHBondContact CD-OH 3.07Å; R30-Y86 HydrophobicContact CG-CE1 4.4Å; R30-Y86 PolarHBondContact NH1-OH 2.93Å; V40-Y86 HydrophobicContact CG1-CE1 4.31Å; V40-Y86 HydrophobicContact CG2-CD1 4.29Å; V40-Y86 HydrophobicContact CG2-CE1 3.95Å; L73-Y86 HydrophobicContact CD2-CD1 4.27Å; L73-Y86 HydrophobicContact CD2-CE1 4.39Å; M75-Y86 HydrophobicContact CE-CD1 4.42Å; M75-Y86 HydrophobicContact CE-CE1 3.61Å; M75-Y86 HydrophobicContact CE-CE2 4.03Å; M75-Y86 WeakPolarHBondContact CE-OH 3.3Å; D82-Y86 VanDerWaalsContact O-CE2 3.31Å; D82-Y86 WeakPolarHBondContact O-CE2 3.36Å; D82-Y86 PolarHBondContact O-OH 3.42Å; A84-Y86 HydrophobicContact CB-CD2 4.28Å; A84-Y86 HydrophobicContact CB-CE2 3.75Å; A84-Y86 WeakPolarHBondContact O-CD2 3.26Å; Y86-G103 CarbonylContact O-C 3.56Å; Y86-G103 WeakPolarHBondContact O-CA 3.46Å; Y86-T104 PolarHBondContact N-O 2.95Å; Y86-T104 PolarHBondContact O-N 2.83Å; Y86-V106 HydrophobicContact CD2-CB 3.89Å; Y86-V106 HydrophobicContact CD2-CG2 3.68Å; Y86-V106 HydrophobicContact CE2-CB 3.77Å; Y86-V106 HydrophobicContact CE2-CG2 3.98Å; Y86-V106 HydrophobicContact CG-CG2 4.47Å
87	Y	95	Very high	84.5	Confident	44 Å²	44	69 Å²	69	17%	0.173	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	139.8	179.2	-55.7	-91	0	0	0	109	W28 V29 Q31 M85 V99	W28-Y87 CarbonylContact C-O 3.54Å; W28-Y87 WeakPolarHBondContact CA-O 3.44Å; V29-Y87 PolarHBondContact N-O 2.82Å; V29-Y87 PolarHBondContact O-N 3Å; Q31-Y87 HydrophobicContact CB-CE2 3.81Å; M85-Y87 HydrophobicContact CB-CE2 3.83Å; M85-Y87 HydrophobicContact CG-CD2 4.36Å; M85-Y87 HydrophobicContact CG-CE1 4.04Å; M85-Y87 HydrophobicContact CG-CE2 3.48Å; M85-Y87 VanDerWaalsContact CG-CE2 3.48Å; M85-Y87 WeakPolarHBondContact CG-OH 3.29Å; M85-Y87 WeakPolarHBondContact O-CE2 3.4Å; Y87-V99 HydrophobicContact CD1-CG1 3.97Å; Y87-V99 HydrophobicContact CG-CG1 4.28Å
88	C	92.9	Very high	83.6	Confident	5 Å²	5	69.7 Å²	69.7	3%	0.034	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	153.5	158.2	43.3	0	0	0	0	107.8	C14 S27 L71 W100	C14-C88 HydrophobicContact CB-CB 3.5Å; C14-C88 WeakPolarHBondContact CB-SG 3.41Å; C14-C88 WeakPolarHBondContact SG-CB 3.25Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.99Å; S27-C88 CarbonylContact O-C 3.58Å; S27-C88 VanDerWaalsContact O-CA 3.3Å; S27-C88 WeakPolarHBondContact O-CA 3.37Å; L71-C88 HydrophobicContact CD2-CB 4.26Å; C88-W100 VanDerWaalsContact C-CD1 3.41Å; C88-W100 HydrophobicContact CB-CZ2 3.9Å; C88-W100 PolarHBondContact O-NE1 2.99Å; C88-W100 PolarHBondContact SG-NE1 3.5Å
89	A	91.8	Very high	82.7	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	153.5	165.6	0	0	0	0	0	111.6	S27 V29 F97 D98 V99 W100	S27-A89 PolarHBondContact N-O 3.01Å; S27-A89 PolarHBondContact O-N 2.79Å; V29-A89 HydrophobicContact CG2-CB 4.18Å; A89-F97 HydrophobicContact CB-CB 3.89Å; A89-F97 HydrophobicContact CB-CD1 3.85Å; A89-F97 HydrophobicContact CB-CG 4.21Å; A89-D98 CarbonylContact C-O 3.47Å; A89-D98 VanDerWaalsContact CA-O 3.27Å; A89-D98 WeakPolarHBondContact CA-O 3.38Å; A89-V99 HydrophobicContact CB-CG2 4.24Å; A89-W100 VanDerWaalsContact C-NE1 3.34Å
90	S	88.1	Confident	81.6	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	143.3	164.6	83.1	0	0	0	0	111.4	F97 D98	S90-F97 WeakPolarHBondContact O-CA 3.28Å; S90-D98 PolarHBondContact N-O 3.09Å; S90-D98 PolarHBondContact O-N 2.91Å; S90-D98 WeakPolarHBondContact OG-CB 3.26Å
91	L	74.2	Confident	80.7	Confident	38 Å²	38	70.5 Å²	70.5	20%	0.199	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	98.4	-175.8	-146.1	160.4	0	0	0	107.8	G25 S27 T42 S93 F97	G25-L91 WeakPolarHBondContact O-CB 3.31Å; G25-L91 PolarHBondContact O-N 3.03Å; S27-L91 WeakPolarHBondContact OG-CD1 3.44Å; T42-L91 HydrophobicContact CG2-CD1 3.58Å; L91-S93 VanDerWaalsContact CD2-O 3.28Å; L91-S93 WeakPolarHBondContact CD2-O 3.34Å; L91-F97 HydrophobicContact CB-CE1 4.42Å; L91-F97 HydrophobicContact CD1-CE1 3.65Å; L91-F97 HydrophobicContact CD1-CZ 4.25Å; L91-F97 HydrophobicContact CG-CD1 4.2Å; L91-F97 HydrophobicContact CG-CE1 3.7Å; L91-F97 HydrophobicContact CG-CZ 4.46Å
92	W	63.3	Low	80.1	Confident	166 Å²	166	69.7 Å²	69.7	63%	0.629	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	-34.4	177.9	-92.1	75.4	0	0	0	112.1	Y24	Y24-W92 HydrophobicContact CD1-CD2 4.47Å; Y24-W92 HydrophobicContact CD1-CG 4.42Å; Y24-W92 AromaticContact CD1-NE1 3.89Å; Y24-W92 AromaticContact CE1-CD1 3.98Å; Y24-W92 AromaticContact CE1-CD2 3.79Å; Y24-W92 HydrophobicContact CE1-CD2 3.79Å; Y24-W92 AromaticContact CE1-CE2 3.34Å; Y24-W92 HydrophobicContact CE1-CE3 4.4Å; Y24-W92 HydrophobicContact CE1-CG 4.19Å; Y24-W92 HydrophobicContact CE1-CH2 4.27Å; Y24-W92 AromaticContact CE1-CZ2 3.63Å; Y24-W92 HydrophobicContact CE1-CZ2 3.63Å; Y24-W92 AromaticContact CE1-NE1 3.46Å; Y24-W92 AromaticContact CZ-CE2 3.83Å; Y24-W92 AromaticContact CZ-CZ2 3.66Å; Y24-W92 WeakPolarHBondContact OH-CZ2 3.38Å
93	S	58.8	Low	79.8	Confident	58 Å²	58	71 Å²	71	41%	0.406	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	165.5	170.4	77.9	0	0	0	0	109.4	L91 W95 Y96	L91-S93 VanDerWaalsContact CD2-O 3.28Å; L91-S93 WeakPolarHBondContact CD2-O 3.34Å; S93-W95 PolarHBondContact O-N 3.29Å; S93-Y96 PolarHBondContact O-N 2.82Å; S93-Y96 VanDerWaalsContact O-N 3.13Å
94	Y	57.2	Low	79.7	Confident	215 Å²	215	70.7 Å²	70.7	84%	0.843	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-15.8	-179.1	-78.3	-83	0	0	0	115.1
95	W	58.3	Low	79.6	Confident	235 Å²	235	73.9 Å²	73.9	89%	0.89	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.9	-5	-174.5	-55.9	101.2	0	0	0	114.5	S93	S93-W95 PolarHBondContact O-N 3.29Å
96	Y	63	Low	79.6	Confident	171 Å²	171	71.1 Å²	71.1	67%	0.671	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.9	121.7	-174.4	-143.5	-93.7	0	0	0	112.3	S93	S93-Y96 PolarHBondContact O-N 2.82Å; S93-Y96 VanDerWaalsContact O-N 3.13Å
97	F	70.4	Confident	79.6	Confident	78 Å²	78	73.9 Å²	73.9	34%	0.342	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	129.2	174.6	-70.6	-69.2	0	0	0	109.4	L39 A89 S90 L91	L39-F97 HydrophobicContact CD1-CE1 4.4Å; L39-F97 HydrophobicContact CD1-CZ 4.05Å; A89-F97 HydrophobicContact CB-CB 3.89Å; A89-F97 HydrophobicContact CB-CD1 3.85Å; A89-F97 HydrophobicContact CB-CG 4.21Å; S90-F97 WeakPolarHBondContact O-CA 3.28Å; L91-F97 HydrophobicContact CB-CE1 4.42Å; L91-F97 HydrophobicContact CD1-CE1 3.65Å; L91-F97 HydrophobicContact CD1-CZ 4.25Å; L91-F97 HydrophobicContact CG-CD1 4.2Å; L91-F97 HydrophobicContact CG-CE1 3.7Å; L91-F97 HydrophobicContact CG-CZ 4.46Å
98	D	78.6	Confident	79.5	Confident	84 Å²	84	72.2 Å²	72.2	45%	0.449	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	115.5	168.6	-171.1	9.7	0	0	0	109.7	A89 S90 W100	A89-D98 CarbonylContact C-O 3.47Å; A89-D98 VanDerWaalsContact CA-O 3.27Å; A89-D98 WeakPolarHBondContact CA-O 3.38Å; S90-D98 PolarHBondContact N-O 3.09Å; S90-D98 PolarHBondContact O-N 2.91Å; S90-D98 WeakPolarHBondContact OG-CB 3.26Å; D98-W100 PolarHBondContact O-N 2.82Å
99	V	78.3	Confident	79.4	Confident	76 Å²	76	73.9 Å²	73.9	46%	0.461	38%	0.376	S	S	.	.			trans	-94.4	93.4	-175.9	-176.2	0	0	0	0	109.5	Y87 A89	Y87-V99 HydrophobicContact CD1-CG1 3.97Å; Y87-V99 HydrophobicContact CG-CG1 4.28Å; A89-V99 HydrophobicContact CB-CG2 4.24Å
100	W	72.9	Confident	78.6	Confident	60 Å²	60	81.7 Å²	81.7	23%	0.227	43%	0.43	C	S	.	.			trans	-72.7	-4.7	174	45.7	1	0	0	0	118.2	A16 F19 F21 M26 C88 A89 D98	A16-W100 HydrophobicContact CB-CE3 3.67Å; A16-W100 HydrophobicContact CB-CH2 3.95Å; A16-W100 HydrophobicContact CB-CZ3 3.11Å; F19-W100 HydrophobicContact CD1-CE3 4.38Å; F19-W100 HydrophobicContact CE1-CD2 4.04Å; F19-W100 AromaticContact CE1-CE3 3.12Å; F19-W100 HydrophobicContact CE1-CE3 3.12Å; F19-W100 AromaticContact CE1-CZ3 3.49Å; F19-W100 HydrophobicContact CE1-CZ3 3.49Å; F19-W100 VanDerWaalsContact CE1-CZ3 3.49Å; F19-W100 HydrophobicContact CE2-CE3 4.31Å; F19-W100 AromaticContact CE2-CZ3 3.8Å; F19-W100 HydrophobicContact CE2-CZ3 3.8Å; F19-W100 HydrophobicContact CZ-CD2 4.05Å; F19-W100 AromaticContact CZ-CE3 3.11Å; F19-W100 HydrophobicContact CZ-CE3 3.11Å; F19-W100 AromaticContact CZ-CH2 3.87Å; F19-W100 HydrophobicContact CZ-CH2 3.87Å; F19-W100 AromaticContact CZ-CZ3 2.94Å; F19-W100 HydrophobicContact CZ-CZ3 2.94Å; F21-W100 AromaticContact CD2-CH2 3.72Å; F21-W100 HydrophobicContact CD2-CH2 3.72Å; F21-W100 AromaticContact CD2-CZ3 3.87Å; F21-W100 HydrophobicContact CD2-CZ3 3.87Å; F21-W100 AromaticContact CE2-CH2 3.72Å; F21-W100 HydrophobicContact CE2-CH2 3.72Å; F21-W100 HydrophobicContact CE2-CZ3 4.3Å; M26-W100 HydrophobicContact CE-CH2 2.94Å; M26-W100 HydrophobicContact CE-CZ2 3.16Å; M26-W100 HydrophobicContact CE-CZ3 3.71Å; M26-W100 HydrophobicContact CG-CH2 4.47Å; M26-W100 HydrophobicContact SD-CH2 3.36Å; M26-W100 WeakPolarHBondContact SD-CH2 3.46Å; M26-W100 HydrophobicContact SD-CZ2 4.08Å; M26-W100 HydrophobicContact SD-CZ3 4.09Å; C88-W100 VanDerWaalsContact C-CD1 3.41Å; C88-W100 HydrophobicContact CB-CZ2 3.9Å; C88-W100 PolarHBondContact O-NE1 2.99Å; C88-W100 PolarHBondContact SG-NE1 3.5Å; A89-W100 VanDerWaalsContact C-NE1 3.34Å; D98-W100 PolarHBondContact O-N 2.82Å
101	G	73.4	Confident	78.1	Confident	28 Å²	28	85.8 Å²	85.8	29%	0.289	45%	0.451	S	S	.	.	S	Bend	trans	-128.5	148.9	-171.5	0	0	0	0	0	114.2	G103	G101-G103 PolarHBondContact O-N 2.97Å
102	A	82.1	Confident	78.3	Confident	104 Å²	104	88.3 Å²	88.3	86%	0.86	47%	0.465	S	S	*	.			trans	-64.5	-9.1	174.4	0	0	0	0	0	114
103	G	89.5	Confident	79.2	Confident	29 Å²	29	83.9 Å²	83.9	30%	0.299	46%	0.455	S	S	.	.			trans	81.2	167.2	-174.7	0	0	0	0	0	112.7	Y86 G101	Y86-G103 CarbonylContact O-C 3.56Å; Y86-G103 WeakPolarHBondContact O-CA 3.46Å; G101-G103 PolarHBondContact O-N 2.97Å
104	T	94.4	Very high	80.3	Confident	30 Å²	30	85.5 Å²	85.5	18%	0.184	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	127.6	175.5	175.5	0	0	0	0	110.6	G1 L12 W28 M85 Y86 V106	G1-T104 WeakPolarHBondContact CA-OG1 3.29Å; G1-T104 PolarHBondContact N-OG1 2.84Å; L12-T104 HydrophobicContact CD1-CG2 4.05Å; L12-T104 HydrophobicContact CD2-CG2 4.08Å; W28-T104 HydrophobicContact CZ3-CG2 4.49Å; M85-T104 PolarHBondContact SD-N 3.25Å; M85-T104 VanDerWaalsContact SD-N 3.44Å; Y86-T104 PolarHBondContact N-O 2.95Å; Y86-T104 PolarHBondContact O-N 2.83Å; T104-V106 PolarHBondContact O-N 2.74Å
105	T	95.9	Very high	81.8	Confident	72 Å²	72	77.4 Å²	77.4	44%	0.442	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	131.6	176.1	-45.2	0	0	0	0	110.1	G1 G2 M85	G1-T105 CarbonylContact C-O 3.58Å; G1-T105 WeakPolarHBondContact CA-O 3.45Å; G2-T105 PolarHBondContact N-O 3.12Å; M85-T105 WeakPolarHBondContact CE-OG1 3.45Å; M85-T105 PolarHBondContact SD-N 2.98Å; M85-T105 PolarHBondContact SD-OG1 2.84Å
106	V	96.6	Very high	83.4	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	126.8	165.5	177.1	0	0	0	0	107.2	L10 L12 T83 A84 Y86 T104 V108	L10-V106 HydrophobicContact CD2-CG1 4.14Å; L10-V106 HydrophobicContact CD2-CG2 3.88Å; L12-V106 HydrophobicContact CD1-CG2 4.09Å; L12-V106 HydrophobicContact CD2-CG2 3.97Å; T83-V106 WeakPolarHBondContact CA-O 3.45Å; A84-V106 PolarHBondContact N-O 3.47Å; A84-V106 VanDerWaalsContact N-O 3.11Å; A84-V106 PolarHBondContact O-N 3.38Å; Y86-V106 HydrophobicContact CD2-CB 3.89Å; Y86-V106 HydrophobicContact CD2-CG2 3.68Å; Y86-V106 HydrophobicContact CE2-CB 3.77Å; Y86-V106 HydrophobicContact CE2-CG2 3.98Å; Y86-V106 HydrophobicContact CG-CG2 4.47Å; T104-V106 PolarHBondContact O-N 2.74Å; V106-V108 HydrophobicContact CG1-CG2 4.45Å
107	T	96.1	Very high	84.8	Confident	59 Å²	59	59.4 Å²	59.4	36%	0.362	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	127	177.2	-54.8	0	0	0	0	108.6	G2 L3 V4 T83	G2-T107 PolarHBondContact O-N 2.74Å; L3-T107 WeakPolarHBondContact CA-O 3.38Å; L3-T107 HydrophobicContact CD1-CG2 3.72Å; V4-T107 PolarHBondContact N-O 3.22Å; T83-T107 HydrophobicContact CG2-CG2 4.39Å
108	V	94.3	Very high	85.9	Confident	9 Å²	9	58 Å²	58	6%	0.055	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	112.6	175.8	-173.4	0	0	0	0	108.4	V4 H6 L78 K79 D82 T83 V106	V4-V108 CarbonylContact O-C 3.51Å; V4-V108 WeakPolarHBondContact O-CA 3.39Å; H6-V108 HydrophobicContact CB-CG1 4.46Å; L78-V108 HydrophobicContact CB-CG1 4.27Å; L78-V108 HydrophobicContact CB-CG2 3.97Å; L78-V108 HydrophobicContact CD1-CG2 4.4Å; L78-V108 HydrophobicContact CD2-CG2 4.26Å; L78-V108 HydrophobicContact CG-CG2 4.45Å; K79-V108 WeakPolarHBondContact O-CB 3.3Å; K79-V108 WeakPolarHBondContact O-CG2 3.49Å; D82-V108 HydrophobicContact CB-CG2 4.43Å; T83-V108 PolarHBondContact OG1-N 2.99Å; V106-V108 HydrophobicContact CG1-CG2 4.45Å
109	S	89.3	Confident	86.5	Confident	40 Å²	40	55.8 Å²	55.8	28%	0.28	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	137.1	176.1	62.8	0	0	0	0	110.3	V4 H6	V4-S109 PolarHBondContact O-N 3Å; V4-S109 PolarHBondContact O-OG 2.73Å; H6-S109 PolarHBondContact N-O 2.96Å
110	S	75.7	Confident	87.3	Confident	163 Å²	163	54 Å²	54	100%	1.14	38%	0.376	S	S	*	.			trans	-61.3	0	168.9	55.5	0	0	0	0	112.3

Retrieved 110 of 110 residues in 22.6 ms (Link to these results)

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