X5J502_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J502, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 110 aa.

						>X5J502_MOUSE|X5J502
GGLVQPGGSLKLSCAASGFDFSRYWMSWVRQAPGKGLEWIGEINPDSSTINYTPSLKDKFIISRDNAKNTLYLQMSKVRSEDTALYYCARSYDYSWFAYWGQGTLVTVSA
					

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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	58.8	Low	84.6	Confident	89 Å²	89	68.7 Å²	68.7	92%	0.918	46%	0.456	S	S	*	.				0	151	0	0	0	0	0	0	110.1	T104 L105	G1-T104 WeakPolarHBondContact CA-OG1 3.44Å; G1-T104 PolarHBondContact N-OG1 2.75Å; G1-L105 WeakPolarHBondContact CA-O 3.49Å
2	G	73.1	Confident	85.7	Confident	30 Å²	30	64.1 Å²	64.1	31%	0.309	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	142.3	-177.7	0	0	0	0	0	111.4	L105 T107	G2-L105 PolarHBondContact N-O 2.96Å; G2-T107 PolarHBondContact O-N 3.36Å
3	L	80.2	Confident	86.6	Confident	125 Å²	125	65.5 Å²	65.5	65%	0.654	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	126.6	166.3	179.1	65.9	0	0	0	107.9	T107	L3-T107 WeakPolarHBondContact CA-O 3.24Å; L3-T107 HydrophobicContact CD1-CG2 4.04Å
4	V	84.8	Confident	87.3	Confident	22 Å²	22	62.1 Å²	62.1	13%	0.133	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	141.2	-178.5	-168.4	0	0	0	0	109.5	L10 V78 T107 V108 S109	V4-L10 HydrophobicContact CG2-CB 4.32Å; V4-L10 HydrophobicContact CG2-CD1 4.13Å; V4-L10 HydrophobicContact CG2-CD2 4.02Å; V4-L10 HydrophobicContact CG2-CG 4.39Å; V4-V78 HydrophobicContact CB-CG2 4.23Å; V4-V78 HydrophobicContact CG1-CG2 3.76Å; V4-T107 PolarHBondContact N-O 3.27Å; V4-V108 WeakPolarHBondContact O-CA 3.26Å; V4-S109 PolarHBondContact O-N 3.01Å
5	Q	86.1	Confident	88	Confident	128 Å²	128	63.3 Å²	63.3	60%	0.598	43%	0.429	S	S	*	.			trans	-73.7	146	174.3	-65.2	-62.1	-27.1	0	0	110.8	G8 S109	Q5-G8 PolarHBondContact O-N 3.31Å; Q5-G8 VanDerWaalsContact O-N 3.15Å; Q5-S109 PolarHBondContact OE1-OG 3.11Å
6	P	89.2	Confident	88.4	Confident	59 Å²	59	60.4 Å²	60.4	38%	0.383	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49	141.6	170.3	-30.9	37.1	0	0	0	113.1	G8 V78 V108 S109	P6-G8 PolarHBondContact O-N 2.99Å; P6-V78 WeakPolarHBondContact CA-O 3.5Å; P6-V108 HydrophobicContact CG-CG1 4.13Å; P6-S109 WeakPolarHBondContact CD-O 3.26Å; P6-S109 WeakPolarHBondContact CG-O 3.26Å
7	G	87.9	Confident	88.7	Confident	55 Å²	55	63.1 Å²	63.1	57%	0.567	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	-9.8	-179.2	0	0	0	0	0	114.6	V78	G7-V78 PolarHBondContact N-O 3.13Å
8	G	89.8	Confident	88.8	Confident	26 Å²	26	64.4 Å²	64.4	27%	0.268	46%	0.457	S	S	.	.			trans	-70.6	179.2	174.4	0	0	0	0	0	114	Q5 P6 K77 V78	Q5-G8 PolarHBondContact O-N 3.31Å; Q5-G8 VanDerWaalsContact O-N 3.15Å; P6-G8 PolarHBondContact O-N 2.99Å; G8-K77 WeakPolarHBondContact O-CA 3.34Å; G8-K77 PolarHBondContact O-N 3.23Å; G8-V78 PolarHBondContact O-N 2.94Å
9	S	91.8	Very high	88.9	Confident	72 Å²	72	63.4 Å²	63.4	50%	0.503	44%	0.443	S	S	.	.			trans	-125	146.3	174.3	-62.2	0	0	0	0	110.2	M75	S9-M75 CarbonylContact C-O 3.56Å; S9-M75 WeakPolarHBondContact CA-O 3.33Å; S9-M75 WeakPolarHBondContact CB-O 3.24Å
10	L	93.1	Very high	89	Confident	36 Å²	36	64.2 Å²	64.2	19%	0.188	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	145.7	179	-178	65.2	0	0	0	109.6	V4 L12 M75 V106	V4-L10 HydrophobicContact CG2-CB 4.32Å; V4-L10 HydrophobicContact CG2-CD1 4.13Å; V4-L10 HydrophobicContact CG2-CD2 4.02Å; V4-L10 HydrophobicContact CG2-CG 4.39Å; L10-L12 HydrophobicContact CD2-CD2 3.63Å; L10-L12 HydrophobicContact CD2-CG 4.39Å; L10-L12 HydrophobicContact CG-CD2 4.05Å; L10-M75 HydrophobicContact CB-SD 4.48Å; L10-M75 HydrophobicContact CD2-SD 4.21Å; L10-M75 PolarHBondContact N-O 3.07Å; L10-M75 PolarHBondContact O-N 3.18Å; L10-V106 HydrophobicContact CD2-CB 4.46Å; L10-V106 HydrophobicContact CD2-CG1 3.79Å; L10-V106 HydrophobicContact CD2-CG2 3.78Å
11	K	95.9	Very high	89.3	Confident	114 Å²	114	61.1 Å²	61.1	50%	0.496	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	115.8	169.7	-166.8	174.6	-179.1	174.8	0	109.7	Y72 L73 Q74	K11-Y72 HydrophobicContact CD-CD1 4.45Å; K11-L73 WeakPolarHBondContact CA-O 3.34Å; K11-Q74 VanDerWaalsContact CB-OE1 3.28Å
12	L	97.3	Very high	91	Very high	13 Å²	13	59 Å²	59	7%	0.068	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	149.2	170.5	-55.1	-178	0	0	0	109.9	L10 W28 Y72 L73 M75 Y86 T104 V106	L10-L12 HydrophobicContact CD2-CD2 3.63Å; L10-L12 HydrophobicContact CD2-CG 4.39Å; L10-L12 HydrophobicContact CG-CD2 4.05Å; L12-W28 HydrophobicContact CB-CH2 3.85Å; L12-W28 HydrophobicContact CB-CZ2 4.25Å; L12-W28 HydrophobicContact CB-CZ3 4.42Å; L12-W28 HydrophobicContact CD1-CH2 4.5Å; L12-W28 HydrophobicContact CD1-CZ3 4.25Å; L12-Y72 WeakPolarHBondContact O-CA 3.11Å; L12-L73 HydrophobicContact CB-CB 4.21Å; L12-L73 HydrophobicContact CD1-CD2 4.3Å; L12-L73 PolarHBondContact N-O 3Å; L12-L73 PolarHBondContact O-N 3Å; L12-M75 HydrophobicContact CD1-SD 4.17Å; L12-M75 HydrophobicContact CG-SD 4.29Å; L12-Y86 HydrophobicContact CD1-CD1 3.93Å; L12-Y86 HydrophobicContact CD1-CD2 4.2Å; L12-Y86 HydrophobicContact CD1-CG 3.64Å; L12-T104 HydrophobicContact CD1-CG2 4Å; L12-T104 HydrophobicContact CD2-CG2 4.09Å; L12-V106 HydrophobicContact CD1-CG2 4.08Å; L12-V106 HydrophobicContact CD2-CG2 3.88Å
13	S	97.5	Very high	91.9	Very high	82 Å²	82	66.3 Å²	66.3	57%	0.573	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.2	148.2	171.5	58.1	0	0	0	0	110.4	L71	S13-L71 CarbonylContact C-O 3.53Å; S13-L71 VanDerWaalsContact CA-O 3.32Å; S13-L71 WeakPolarHBondContact CA-O 3.35Å
14	C	97.3	Very high	92.5	Very high	19 Å²	19	62.9 Å²	62.9	13%	0.128	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	108.9	172.4	165.4	0	0	0	0	108.8	W28 T70 L71 C88	C14-W28 HydrophobicContact CB-CH2 3.93Å; C14-W28 HydrophobicContact CB-CZ2 4.04Å; C14-T70 CarbonylContact O-C 3.49Å; C14-T70 WeakPolarHBondContact O-CA 2.97Å; C14-L71 HydrophobicContact CB-CB 4.37Å; C14-L71 PolarHBondContact N-O 2.66Å; C14-L71 PolarHBondContact O-N 3.43Å; C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.49Å; C14-C88 WeakPolarHBondContact SG-CB 3.35Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 3.18Å
15	A	96.8	Very high	93	Very high	79 Å²	79	63.5 Å²	63.5	65%	0.653	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	127.9	173.7	0	0	0	0	0	109.4
16	A	94.6	Very high	93.4	Very high	18 Å²	18	57.6 Å²	57.6	15%	0.149	36%	0.361	C	S	.	.			trans	-96.1	145.4	177.4	0	0	0	0	0	111.1	F19 F21 N69	A16-F19 HydrophobicContact CB-CE1 3.94Å; A16-F19 HydrophobicContact CB-CE2 4.35Å; A16-F19 HydrophobicContact CB-CZ 3.63Å; A16-F21 HydrophobicContact CB-CB 4.33Å; A16-F21 HydrophobicContact CB-CD2 3.44Å; A16-F21 VanDerWaalsContact CB-CD2 3.44Å; A16-F21 HydrophobicContact CB-CE2 4.1Å; A16-F21 HydrophobicContact CB-CG 4.23Å; A16-N69 WeakPolarHBondContact CB-O 3.4Å; A16-N69 PolarHBondContact N-O 3.37Å
17	S	93.3	Very high	93.8	Very high	105 Å²	105	54.8 Å²	54.8	73%	0.734	34%	0.343	S	S	*	.			trans	-145.8	154.2	176.5	58.7	0	0	0	0	110.2
18	G	91.3	Very high	94.2	Very high	87 Å²	87	52.3 Å²	52.3	90%	0.897	32%	0.317	S	S	*	.	S	Bend	trans	85.4	5.4	175.8	0	0	0	0	0	115.3
19	F	89.9	Confident	94.6	Very high	46 Å²	46	51.2 Å²	51.2	20%	0.202	31%	0.305	C	S	.	.	S	Bend	trans	-154.8	163.3	171.8	62.8	-86	0	0	0	110.8	A16 F21 Y24 M26 R90 Y99	A16-F19 HydrophobicContact CB-CE1 3.94Å; A16-F19 HydrophobicContact CB-CE2 4.35Å; A16-F19 HydrophobicContact CB-CZ 3.63Å; F19-F21 HydrophobicContact CE2-CB 4.28Å; F19-F21 HydrophobicContact CE2-CD2 4.27Å; F19-F21 HydrophobicContact CZ-CD2 4.45Å; F19-F21 PolarHBondContact O-N 3.18Å; F19-Y24 HydrophobicContact CB-CE2 4.37Å; F19-Y24 AromaticContact CD2-CD2 3.6Å; F19-Y24 HydrophobicContact CD2-CD2 3.6Å; F19-Y24 HydrophobicContact CD2-CE2 4.01Å; F19-Y24 HydrophobicContact CE2-CD2 4.11Å; F19-M26 HydrophobicContact CE2-SD 4.03Å; F19-M26 HydrophobicContact CZ-CE 4.23Å; F19-M26 HydrophobicContact CZ-SD 4.07Å; F19-R90 HydrophobicContact CE2-CG 4.25Å; F19-R90 HydrophobicContact CZ-CB 4.29Å; F19-R90 HydrophobicContact CZ-CG 4.46Å; F19-Y99 HydrophobicContact CD1-CD2 4.3Å
20	D	92.6	Very high	94.8	Very high	78 Å²	78	49 Å²	49	42%	0.417	29%	0.285	S	S	.	.			trans	-74.9	92.2	173	-175.9	-7.3	0	0	0	110.1	S22 R23 Y24	D20-S22 PolarHBondContact O-N 2.81Å; D20-S22 VanDerWaalsContact O-N 3.14Å; D20-S22 WeakPolarHBondContact OD1-CB 3.37Å; D20-S22 PolarHBondContact OD1-N 3.47Å; D20-S22 PolarHBondContact OD1-OG 2.79Å; D20-R23 HydrophobicContact CB-CG 4.32Å; D20-R23 PolarHBondContact O-N 3.03Å; D20-R23 VanDerWaalsContact O-N 3.14Å; D20-R23 WeakPolarHBondContact OD2-CD 3.08Å; D20-R23 VanDerWaalsContact OD2-CG 3.26Å; D20-R23 WeakPolarHBondContact OD2-CG 3.37Å; D20-Y24 WeakPolarHBondContact O-CD2 3.39Å; D20-Y24 WeakPolarHBondContact O-CE2 3.21Å
21	F	94	Very high	95	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-52.1	-36.7	-178.4	177.8	-98.3	0	0	0	112.5	A16 F19 R23 Y24 M26 R64 N66 N69 L71	A16-F21 HydrophobicContact CB-CB 4.33Å; A16-F21 HydrophobicContact CB-CD2 3.44Å; A16-F21 VanDerWaalsContact CB-CD2 3.44Å; A16-F21 HydrophobicContact CB-CE2 4.1Å; A16-F21 HydrophobicContact CB-CG 4.23Å; F19-F21 HydrophobicContact CE2-CB 4.28Å; F19-F21 HydrophobicContact CE2-CD2 4.27Å; F19-F21 HydrophobicContact CZ-CD2 4.45Å; F19-F21 PolarHBondContact O-N 3.18Å; F21-R23 PolarHBondContact O-N 2.86Å; F21-R23 VanDerWaalsContact O-N 3.12Å; F21-Y24 PolarHBondContact O-N 3.11Å; F21-M26 HydrophobicContact CD2-CE 4.25Å; F21-M26 HydrophobicContact CD2-CG 4.02Å; F21-M26 HydrophobicContact CD2-SD 3.91Å; F21-M26 HydrophobicContact CE2-CB 4.48Å; F21-M26 HydrophobicContact CE2-CE 3.91Å; F21-M26 HydrophobicContact CE2-CG 3.5Å; F21-M26 HydrophobicContact CE2-SD 3.85Å; F21-M26 HydrophobicContact CZ-CG 3.99Å; F21-R64 VanDerWaalsContact CD1-NH2 3.29Å; F21-R64 HydrophobicContact CE1-CB 4.12Å; F21-R64 VanDerWaalsContact CE1-NH2 3.26Å; F21-R64 HydrophobicContact CZ-CB 4.09Å; F21-R64 PolarHBondContact O-NH2 3.27Å; F21-N66 WeakPolarHBondContact CD1-OD1 3.31Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.32Å; F21-N69 HydrophobicContact CB-CB 3.92Å; F21-N69 WeakPolarHBondContact CB-OD1 3.37Å; F21-N69 HydrophobicContact CD1-CB 4.45Å; F21-N69 HydrophobicContact CG-CB 4.17Å; F21-L71 HydrophobicContact CE2-CB 4.25Å; F21-L71 HydrophobicContact CZ-CB 4.16Å
22	S	94.2	Very high	95	Very high	44 Å²	44	46.2 Å²	46.2	31%	0.308	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-65.7	-16	-175.1	76.4	0	0	0	0	113.8	D20 P45	D20-S22 PolarHBondContact O-N 2.81Å; D20-S22 VanDerWaalsContact O-N 3.14Å; D20-S22 WeakPolarHBondContact OD1-CB 3.37Å; D20-S22 PolarHBondContact OD1-N 3.47Å; D20-S22 PolarHBondContact OD1-OG 2.79Å; S22-P45 VanDerWaalsContact O-CB 3.27Å; S22-P45 WeakPolarHBondContact O-CB 2.9Å
23	R	92.6	Very high	94.9	Very high	184 Å²	184	50.5 Å²	50.5	69%	0.694	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-99.2	-5.7	-176.2	-63.1	-172.9	77	175.4	6.6	114.7	D20 F21	D20-R23 HydrophobicContact CB-CG 4.32Å; D20-R23 PolarHBondContact O-N 3.03Å; D20-R23 VanDerWaalsContact O-N 3.14Å; D20-R23 WeakPolarHBondContact OD2-CD 3.08Å; D20-R23 VanDerWaalsContact OD2-CG 3.26Å; D20-R23 WeakPolarHBondContact OD2-CG 3.37Å; F21-R23 PolarHBondContact O-N 2.86Å; F21-R23 VanDerWaalsContact O-N 3.12Å
24	Y	93	Very high	94.8	Very high	53 Å²	53	50.8 Å²	50.8	21%	0.208	32%	0.322	C	S	.	.	S	Bend	trans	-118.7	151.9	-174.3	-61	-71.1	0	0	0	112.8	F19 D20 F21 R64 R90 Y92	F19-Y24 HydrophobicContact CB-CE2 4.37Å; F19-Y24 AromaticContact CD2-CD2 3.6Å; F19-Y24 HydrophobicContact CD2-CD2 3.6Å; F19-Y24 HydrophobicContact CD2-CE2 4.01Å; F19-Y24 HydrophobicContact CE2-CD2 4.11Å; D20-Y24 WeakPolarHBondContact O-CD2 3.39Å; D20-Y24 WeakPolarHBondContact O-CE2 3.21Å; F21-Y24 PolarHBondContact O-N 3.11Å; Y24-R64 PolarHBondContact O-NH1 2.92Å; Y24-R90 HydrophobicContact CD1-CG 4.46Å; Y24-R90 HydrophobicContact CG-CG 3.99Å; Y24-Y92 HydrophobicContact CD1-CE1 4.05Å; Y24-Y92 HydrophobicContact CD1-CE2 4.21Å; Y24-Y92 AromaticContact CD1-CZ 3.87Å; Y24-Y92 AromaticContact CE1-CE1 3.68Å; Y24-Y92 HydrophobicContact CE1-CE1 3.68Å; Y24-Y92 HydrophobicContact CE1-CE2 4Å; Y24-Y92 AromaticContact CE1-CZ 3.33Å; Y24-Y92 WeakPolarHBondContact CE1-OH 3.35Å
25	W	94.8	Very high	94.7	Very high	35 Å²	35	56.9 Å²	56.9	13%	0.133	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	148.6	162.6	-70.4	77.6	0	0	0	109.7	E42 I43 N44 T49 N51 S91 D93	W25-E42 HydrophobicContact CE3-CB 4.27Å; W25-E42 HydrophobicContact CE3-CG 3.49Å; W25-E42 VanDerWaalsContact CE3-CG 3.49Å; W25-E42 HydrophobicContact CZ3-CG 3.69Å; W25-I43 WeakPolarHBondContact CA-O 3.14Å; W25-N44 HydrophobicContact CD2-CB 3.62Å; W25-N44 VanDerWaalsContact CE2-CB 3.46Å; W25-N44 HydrophobicContact CE3-CB 3.7Å; W25-N44 HydrophobicContact CG-CB 4.42Å; W25-N44 HydrophobicContact CH2-CB 3.61Å; W25-N44 HydrophobicContact CZ2-CB 3.49Å; W25-N44 VanDerWaalsContact CZ2-CB 3.49Å; W25-N44 HydrophobicContact CZ3-CB 3.7Å; W25-T49 HydrophobicContact CH2-CG2 3.91Å; W25-T49 HydrophobicContact CZ3-CG2 4.45Å; W25-N51 VanDerWaalsContact CZ3-ND2 3.32Å; W25-N51 WeakPolarHBondContact CZ3-ND2 3.38Å; W25-S91 WeakPolarHBondContact CB-OG 3.41Å; W25-S91 PolarHBondContact O-N 3.12Å; W25-D93 PolarHBondContact NE1-OD1 3.3Å
26	M	95.8	Very high	94.6	Very high	4 Å²	4	55.8 Å²	55.8	2%	0.02	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	132.1	-176.7	-64	-60	-52.5	0	0	109.1	F19 F21 E42 I43 L71 A89 R90	F19-M26 HydrophobicContact CE2-SD 4.03Å; F19-M26 HydrophobicContact CZ-CE 4.23Å; F19-M26 HydrophobicContact CZ-SD 4.07Å; F21-M26 HydrophobicContact CD2-CE 4.25Å; F21-M26 HydrophobicContact CD2-CG 4.02Å; F21-M26 HydrophobicContact CD2-SD 3.91Å; F21-M26 HydrophobicContact CE2-CB 4.48Å; F21-M26 HydrophobicContact CE2-CE 3.91Å; F21-M26 HydrophobicContact CE2-CG 3.5Å; F21-M26 HydrophobicContact CE2-SD 3.85Å; F21-M26 HydrophobicContact CZ-CG 3.99Å; M26-E42 CarbonylContact O-C 3.6Å; M26-E42 WeakPolarHBondContact O-CA 3.47Å; M26-E42 WeakPolarHBondContact O-CB 3.46Å; M26-I43 HydrophobicContact CB-CG2 4.34Å; M26-I43 PolarHBondContact N-O 2.79Å; M26-I43 VanDerWaalsContact N-O 3.11Å; M26-I43 PolarHBondContact O-N 2.82Å; M26-L71 HydrophobicContact CB-CD1 3.66Å; M26-L71 HydrophobicContact CB-CD2 3.88Å; M26-L71 HydrophobicContact CB-CG 4.27Å; M26-A89 WeakPolarHBondContact CA-O 3.15Å; M26-R90 HydrophobicContact CE-CB 4.49Å; M26-R90 HydrophobicContact SD-CB 4.17Å; M26-R90 HydrophobicContact SD-CG 4.26Å
27	S	96.1	Very high	94.7	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	154.8	-174.4	-49.7	0	0	0	0	112.3	G41 E42 C88 A89 S91 F97	S27-G41 CarbonylContact C-O 3.57Å; S27-G41 VanDerWaalsContact CA-O 3.25Å; S27-G41 WeakPolarHBondContact CA-O 3.41Å; S27-G41 WeakPolarHBondContact CB-O 3.34Å; S27-E42 VanDerWaalsContact OG-CB 3.29Å; S27-E42 WeakPolarHBondContact OG-CB 3.45Å; S27-E42 PolarHBondContact OG-OE2 2.72Å; S27-C88 CarbonylContact O-C 3.42Å; S27-C88 VanDerWaalsContact O-CA 3.28Å; S27-C88 WeakPolarHBondContact O-CA 3.38Å; S27-A89 PolarHBondContact N-O 2.88Å; S27-A89 PolarHBondContact O-N 3.1Å; S27-S91 WeakPolarHBondContact OG-CB 3.35Å; S27-S91 PolarHBondContact OG-OG 2.75Å; S27-F97 WeakPolarHBondContact OG-CE1 3.15Å
28	W	97.4	Very high	94.8	Very high	3 Å²	3	58 Å²	58	1%	0.011	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	138.7	162.8	-77.9	99.7	0	0	0	110.3	L12 C14 I40 G41 L71 Y72 L73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 3.85Å; L12-W28 HydrophobicContact CB-CZ2 4.25Å; L12-W28 HydrophobicContact CB-CZ3 4.42Å; L12-W28 HydrophobicContact CD1-CH2 4.5Å; L12-W28 HydrophobicContact CD1-CZ3 4.25Å; C14-W28 HydrophobicContact CB-CH2 3.93Å; C14-W28 HydrophobicContact CB-CZ2 4.04Å; W28-I40 HydrophobicContact CB-CB 4.13Å; W28-I40 HydrophobicContact CB-CD1 4.24Å; W28-I40 WeakPolarHBondContact O-CB 3.45Å; W28-I40 PolarHBondContact O-N 3.25Å; W28-G41 PolarHBondContact N-O 3.15Å; W28-L71 HydrophobicContact CD2-CD2 4.32Å; W28-L71 HydrophobicContact CG-CD2 4.26Å; W28-L71 HydrophobicContact CZ2-CD2 4.31Å; W28-L71 HydrophobicContact CZ2-CG 4.43Å; W28-L71 VanDerWaalsContact NE1-CD2 3.26Å; W28-Y72 PolarHBondContact NE1-O 2.69Å; W28-L73 HydrophobicContact CB-CD1 4.24Å; W28-L73 HydrophobicContact CB-CD2 4.39Å; W28-L73 HydrophobicContact CD2-CB 3.87Å; W28-L73 HydrophobicContact CD2-CD2 4.12Å; W28-L73 HydrophobicContact CD2-CG 4.42Å; W28-L73 HydrophobicContact CE3-CD2 4.31Å; W28-L73 HydrophobicContact CG-CB 4.11Å; W28-L73 HydrophobicContact CG-CD1 3.95Å; W28-L73 HydrophobicContact CG-CD2 4.15Å; W28-L73 HydrophobicContact CG-CG 4.32Å; W28-L73 HydrophobicContact CZ2-CB 3.99Å; W28-Y87 WeakPolarHBondContact CA-O 3.44Å; W28-Y87 VanDerWaalsContact CE3-O 3.24Å; W28-C88 HydrophobicContact CE3-CB 4.39Å; W28-C88 HydrophobicContact CH2-CB 4.28Å; W28-C88 HydrophobicContact CZ2-CB 4.44Å; W28-C88 HydrophobicContact CZ3-CB 4.25Å
29	V	96.6	Very high	95	Very high	3 Å²	3	57.1 Å²	57.1	2%	0.018	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	143.1	177.2	-177.7	0	0	0	0	107.4	L37 E38 Y87 F97 W100	V29-L37 HydrophobicContact CG1-CB 3.94Å; V29-L37 HydrophobicContact CG1-CD2 3.86Å; V29-L37 HydrophobicContact CG1-CG 4.43Å; V29-E38 CarbonylContact C-O 3.59Å; V29-E38 WeakPolarHBondContact CA-O 3.13Å; V29-E38 WeakPolarHBondContact CG1-O 3.4Å; V29-Y87 PolarHBondContact N-O 3.26Å; V29-Y87 PolarHBondContact O-N 2.83Å; V29-F97 HydrophobicContact CG2-CZ 4.29Å; V29-W100 HydrophobicContact CB-CH2 4.04Å; V29-W100 HydrophobicContact CB-CZ3 3.73Å; V29-W100 HydrophobicContact CG1-CH2 3.96Å; V29-W100 HydrophobicContact CG1-CZ3 3.92Å; V29-W100 HydrophobicContact CG2-CH2 3.75Å; V29-W100 HydrophobicContact CG2-CZ3 3.81Å
30	R	96.8	Very high	95.3	Very high	25 Å²	25	54.9 Å²	54.9	9%	0.094	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	157.6	172.8	67.4	176.4	-172.2	175	1.3	112.5	E38 I40 D82 A84 L85 Y86	R30-E38 HydrophobicContact CG-CB 4.23Å; R30-E38 IonicContact CZ-OE2 2.72Å; R30-E38 PolarHBondContact N-O 3.4Å; R30-E38 IonicContact NE-OE2 2.69Å; R30-E38 PolarHBondContact NE-OE2 3.48Å; R30-E38 IonicContact NH2-OE1 3.19Å; R30-E38 IonicContact NH2-OE2 3.34Å; R30-E38 PolarHBondContact NH2-OE2 2.97Å; R30-E38 PolarHBondContact O-N 2.84Å; R30-I40 HydrophobicContact CB-CD1 4.04Å; R30-I40 HydrophobicContact CB-CG1 4.44Å; R30-I40 HydrophobicContact CG-CD1 4.05Å; R30-I40 HydrophobicContact CG-CG1 4.07Å; R30-D82 IonicContact NH1-OD1 2.61Å; R30-D82 PolarHBondContact NH1-OD1 2.8Å; R30-A84 HydrophobicContact CB-CB 4.05Å; R30-L85 CarbonylContact C-O 3.47Å; R30-L85 WeakPolarHBondContact CA-O 3.43Å; R30-Y86 HydrophobicContact CB-CD1 3.92Å; R30-Y86 HydrophobicContact CB-CE1 3.88Å; R30-Y86 HydrophobicContact CB-CG 4.31Å
31	Q	97.4	Very high	95.4	Very high	68 Å²	68	51.2 Å²	51.2	32%	0.318	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	105.4	173.5	-169.2	179.3	22.2	0	0	109.4	K35 L37 A84 L85 Y87	Q31-K35 WeakPolarHBondContact CG-O 3.16Å; Q31-K35 PolarHBondContact NE2-O 2.97Å; Q31-L37 HydrophobicContact CB-CD2 4.12Å; Q31-A84 VanDerWaalsContact O-CA 3.32Å; Q31-A84 WeakPolarHBondContact O-CA 3.38Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.32Å; Q31-L85 PolarHBondContact N-O 3.4Å; Q31-L85 PolarHBondContact O-N 3.12Å; Q31-Y87 HydrophobicContact CB-CE2 4.08Å
32	A	96.1	Very high	95.5	Very high	25 Å²	25	51.4 Å²	51.4	21%	0.207	28%	0.282	C	S	.	.			trans	-72.8	153.3	172.3	0	0	0	0	0	110.6	G34 K35 A84	A32-G34 PolarHBondContact O-N 3.07Å; A32-K35 HydrophobicContact CB-CB 4.13Å; A32-K35 HydrophobicContact CB-CG 3.98Å; A32-K35 WeakPolarHBondContact O-CB 3.37Å; A32-K35 PolarHBondContact O-N 3.24Å; A32-A84 HydrophobicContact CB-CB 4.46Å
33	P	94.8	Very high	95.6	Very high	103 Å²	103	49.4 Å²	49.4	67%	0.669	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	127.7	176.3	-26.8	34.7	0	0	0	112.1	K35 T83	P33-K35 PolarHBondContact O-N 2.99Å; P33-T83 VanDerWaalsContact CD-O 3.24Å; P33-T83 WeakPolarHBondContact CD-O 3.26Å
34	G	95.5	Very high	95.7	Very high	88 Å²	88	41.3 Å²	41.3	91%	0.907	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.6	11.5	-179.1	0	0	0	0	0	115.2	A32	A32-G34 PolarHBondContact O-N 3.07Å
35	K	95.3	Very high	95.8	Very high	147 Å²	147	40.5 Å²	40.5	64%	0.639	24%	0.24	S	C	*	.			trans	-116.2	160.9	176.7	-58.4	-63.6	-175.9	179.1	0	111.7	Q31 A32 P33	Q31-K35 WeakPolarHBondContact CG-O 3.16Å; Q31-K35 PolarHBondContact NE2-O 2.97Å; A32-K35 HydrophobicContact CB-CB 4.13Å; A32-K35 HydrophobicContact CB-CG 3.98Å; A32-K35 WeakPolarHBondContact O-CB 3.37Å; A32-K35 PolarHBondContact O-N 3.24Å; P33-K35 PolarHBondContact O-N 2.99Å
36	G	95.3	Very high	95.9	Very high	56 Å²	56	44.1 Å²	44.1	58%	0.577	26%	0.262	S	S	*	.			trans	-71.9	178.6	170	0	0	0	0	0	112.4	E38	G36-E38 PolarHBondContact O-N 2.87Å
37	L	94.8	Very high	95.9	Very high	102 Å²	102	46.4 Å²	46.4	53%	0.534	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	128.6	171.7	-69	169	0	0	0	110	V29 Q31 Y87 W100	V29-L37 HydrophobicContact CG1-CB 3.94Å; V29-L37 HydrophobicContact CG1-CD2 3.86Å; V29-L37 HydrophobicContact CG1-CG 4.43Å; Q31-L37 HydrophobicContact CB-CD2 4.12Å; L37-Y87 HydrophobicContact CD2-CD2 4.29Å; L37-Y87 HydrophobicContact CD2-CE2 4.15Å; L37-W100 HydrophobicContact CD1-CH2 4.11Å
38	E	95.5	Very high	95.9	Very high	66 Å²	66	50.4 Å²	50.4	31%	0.308	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	116.6	175.1	-176.2	-177.1	-156.8	0	0	108.7	V29 R30 G36 L56	V29-E38 CarbonylContact C-O 3.59Å; V29-E38 WeakPolarHBondContact CA-O 3.13Å; V29-E38 WeakPolarHBondContact CG1-O 3.4Å; R30-E38 HydrophobicContact CG-CB 4.23Å; R30-E38 IonicContact CZ-OE2 2.72Å; R30-E38 PolarHBondContact N-O 3.4Å; R30-E38 IonicContact NE-OE2 2.69Å; R30-E38 PolarHBondContact NE-OE2 3.48Å; R30-E38 IonicContact NH2-OE1 3.19Å; R30-E38 IonicContact NH2-OE2 3.34Å; R30-E38 PolarHBondContact NH2-OE2 2.97Å; R30-E38 PolarHBondContact O-N 2.84Å; G36-E38 PolarHBondContact O-N 2.87Å; E38-L56 HydrophobicContact CG-CD1 4.26Å
39	W	95.4	Very high	95.8	Very high	69 Å²	69	53 Å²	53	26%	0.261	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	131.7	174.6	-179.9	79.8	0	0	0	110.1	G41 E42 N51 T53 F97	W39-G41 VanDerWaalsContact CZ2-C 3.47Å; W39-G41 VanDerWaalsContact CZ2-CA 3.46Å; W39-E42 HydrophobicContact CZ2-CB 3.92Å; W39-E42 HydrophobicContact CZ2-CG 3.7Å; W39-N51 HydrophobicContact CH2-CB 3.77Å; W39-N51 HydrophobicContact CZ2-CB 4.39Å; W39-T53 VanDerWaalsContact CE3-OG1 3.3Å; W39-T53 WeakPolarHBondContact O-CB 2.94Å; W39-T53 PolarHBondContact O-OG1 2.86Å; W39-F97 AromaticContact CD1-CZ 3.67Å
40	I	96.2	Very high	95.8	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-47.3	179.5	-59.9	-177.1	0	0	0	110.1	W28 R30 Y52 T53 L56 F60 L73 Y86	W28-I40 HydrophobicContact CB-CB 4.13Å; W28-I40 HydrophobicContact CB-CD1 4.24Å; W28-I40 WeakPolarHBondContact O-CB 3.45Å; W28-I40 PolarHBondContact O-N 3.25Å; R30-I40 HydrophobicContact CB-CD1 4.04Å; R30-I40 HydrophobicContact CB-CG1 4.44Å; R30-I40 HydrophobicContact CG-CD1 4.05Å; R30-I40 HydrophobicContact CG-CG1 4.07Å; I40-Y52 WeakPolarHBondContact O-CA 3.49Å; I40-T53 PolarHBondContact O-N 3.47Å; I40-L56 HydrophobicContact CB-CD1 4.45Å; I40-L56 HydrophobicContact CG1-CD1 4.18Å; I40-L56 HydrophobicContact CG2-CD1 4.47Å; I40-F60 HydrophobicContact CG2-CB 3.97Å; I40-F60 HydrophobicContact CG2-CD2 3.63Å; I40-F60 HydrophobicContact CG2-CE2 4.35Å; I40-F60 HydrophobicContact CG2-CG 3.88Å; I40-L73 HydrophobicContact CD1-CD2 3.87Å; I40-L73 HydrophobicContact CG2-CD1 4.36Å; I40-Y86 HydrophobicContact CD1-CD1 3.82Å; I40-Y86 HydrophobicContact CD1-CE1 3.65Å
41	G	95.6	Very high	95.7	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.2	176.9	-173.1	0	0	0	0	0	112.2	S27 W28 W39 N51	S27-G41 CarbonylContact C-O 3.57Å; S27-G41 VanDerWaalsContact CA-O 3.25Å; S27-G41 WeakPolarHBondContact CA-O 3.41Å; S27-G41 WeakPolarHBondContact CB-O 3.34Å; W28-G41 PolarHBondContact N-O 3.15Å; W39-G41 VanDerWaalsContact CZ2-C 3.47Å; W39-G41 VanDerWaalsContact CZ2-CA 3.46Å; G41-N51 CarbonylContact C-O 3.57Å; G41-N51 WeakPolarHBondContact CA-O 3.38Å
42	E	95.6	Very high	95.6	Very high	4 Å²	4	55.1 Å²	55.1	2%	0.019	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	157.7	177.4	72.6	-175.3	157.6	0	0	112.4	W25 M26 S27 W39 I50 N51 S91 Y94	W25-E42 HydrophobicContact CE3-CB 4.27Å; W25-E42 HydrophobicContact CE3-CG 3.49Å; W25-E42 VanDerWaalsContact CE3-CG 3.49Å; W25-E42 HydrophobicContact CZ3-CG 3.69Å; M26-E42 CarbonylContact O-C 3.6Å; M26-E42 WeakPolarHBondContact O-CA 3.47Å; M26-E42 WeakPolarHBondContact O-CB 3.46Å; S27-E42 VanDerWaalsContact OG-CB 3.29Å; S27-E42 WeakPolarHBondContact OG-CB 3.45Å; S27-E42 PolarHBondContact OG-OE2 2.72Å; W39-E42 HydrophobicContact CZ2-CB 3.92Å; W39-E42 HydrophobicContact CZ2-CG 3.7Å; E42-I50 CarbonylContact O-C 3.54Å; E42-I50 VanDerWaalsContact O-CA 3.31Å; E42-I50 WeakPolarHBondContact O-CA 3Å; E42-I50 VanDerWaalsContact O-CG2 3.25Å; E42-I50 WeakPolarHBondContact O-CG2 3.2Å; E42-N51 HydrophobicContact CG-CB 4.25Å; E42-N51 PolarHBondContact N-O 2.77Å; E42-N51 PolarHBondContact O-N 2.86Å; E42-S91 WeakPolarHBondContact OE2-CB 3.44Å; E42-S91 PolarHBondContact OE2-OG 3.19Å; E42-Y94 WeakPolarHBondContact OE1-CD1 3.41Å; E42-Y94 WeakPolarHBondContact OE1-CE1 3.42Å
43	I	96.6	Very high	95.6	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.01	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	136.1	-179.9	-175.5	161.1	0	0	0	110.2	W25 M26 I50 I62 R64 L71	W25-I43 WeakPolarHBondContact CA-O 3.14Å; M26-I43 HydrophobicContact CB-CG2 4.34Å; M26-I43 PolarHBondContact N-O 2.79Å; M26-I43 VanDerWaalsContact N-O 3.11Å; M26-I43 PolarHBondContact O-N 2.82Å; I43-I50 HydrophobicContact CB-CG1 4.39Å; I43-I50 HydrophobicContact CB-CG2 4.48Å; I43-I50 HydrophobicContact CD1-CD1 3.91Å; I43-I50 HydrophobicContact CD1-CG1 3.98Å; I43-I50 HydrophobicContact CG1-CD1 4.46Å; I43-I50 HydrophobicContact CG1-CG1 3.98Å; I43-I62 HydrophobicContact CB-CG2 3.85Å; I43-I62 HydrophobicContact CG2-CG2 3.59Å; I43-R64 HydrophobicContact CD1-CG 3.98Å; I43-R64 HydrophobicContact CG1-CG 4.4Å; I43-R64 HydrophobicContact CG2-CB 4.47Å; I43-R64 HydrophobicContact CG2-CG 4.49Å; I43-L71 HydrophobicContact CG2-CD1 3.54Å
44	N	95.3	Very high	95.5	Very high	14 Å²	14	55.9 Å²	55.9	8%	0.075	34%	0.337	C	S	.	.			trans	-77.1	166.3	-179.6	77.8	-27.4	0	0	0	112.1	W25 D46 S47 S48 T49 R64	W25-N44 HydrophobicContact CD2-CB 3.62Å; W25-N44 VanDerWaalsContact CE2-CB 3.46Å; W25-N44 HydrophobicContact CE3-CB 3.7Å; W25-N44 HydrophobicContact CG-CB 4.42Å; W25-N44 HydrophobicContact CH2-CB 3.61Å; W25-N44 HydrophobicContact CZ2-CB 3.49Å; W25-N44 VanDerWaalsContact CZ2-CB 3.49Å; W25-N44 HydrophobicContact CZ3-CB 3.7Å; N44-D46 VanDerWaalsContact C-N 3.34Å; N44-D46 PolarHBondContact ND2-OD1 2.79Å; N44-D46 PolarHBondContact O-N 3.34Å; N44-D46 PolarHBondContact OD1-OD1 2.61Å; N44-D46 VanDerWaalsContact OD1-OD1 3.11Å; N44-S47 PolarHBondContact O-N 2.65Å; N44-S47 VanDerWaalsContact OD1-C 3.31Å; N44-S47 VanDerWaalsContact OD1-CA 3.26Å; N44-S47 WeakPolarHBondContact OD1-CA 3.28Å; N44-S47 PolarHBondContact OD1-N 2.83Å; N44-S48 PolarHBondContact ND2-OG 2.61Å; N44-S48 PolarHBondContact OD1-N 2.01Å; N44-T49 PolarHBondContact N-O 3.01Å; N44-T49 VanDerWaalsContact N-O 3.1Å; N44-T49 PolarHBondContact OD1-N 2.89Å; N44-T49 PolarHBondContact OD1-O 2.9Å; N44-T49 VanDerWaalsContact OD1-O 3.12Å; N44-R64 WeakPolarHBondContact O-CD 3.38Å; N44-R64 PolarHBondContact O-NH1 3.27Å
45	P	95.8	Very high	95.3	Very high	36 Å²	36	56.3 Å²	56.3	23%	0.234	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44	-47.1	179.4	-40.9	44.3	0	0	0	116.9	S22 R64 N66	S22-P45 VanDerWaalsContact O-CB 3.27Å; S22-P45 WeakPolarHBondContact O-CB 2.9Å; P45-R64 VanDerWaalsContact CA-NH1 3.3Å; P45-N66 PolarHBondContact O-ND2 2.86Å
46	D	95.2	Very high	95	Very high	111 Å²	111	49.9 Å²	49.9	59%	0.594	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	3	-174.5	67.3	8.3	0	0	0	113.6	N44 S48	N44-D46 VanDerWaalsContact C-N 3.34Å; N44-D46 PolarHBondContact ND2-OD1 2.79Å; N44-D46 PolarHBondContact O-N 3.34Å; N44-D46 PolarHBondContact OD1-OD1 2.61Å; N44-D46 VanDerWaalsContact OD1-OD1 3.11Å; D46-S48 PolarHBondContact O-N 2.82Å; D46-S48 VanDerWaalsContact OD1-CB 3.26Å; D46-S48 WeakPolarHBondContact OD1-CB 3.4Å; D46-S48 PolarHBondContact OD1-N 2.91Å; D46-S48 PolarHBondContact OD1-OG 2.97Å; D46-S48 PolarHBondContact OD2-OG 3Å
47	S	96.4	Very high	94.7	Very high	52 Å²	52	53.3 Å²	53.3	36%	0.364	30%	0.297	S	S	.	.	S	Bend	trans	63.2	11	-178.3	-46.8	0	0	0	0	115.6	N44 T49 R64	N44-S47 PolarHBondContact O-N 2.65Å; N44-S47 VanDerWaalsContact OD1-C 3.31Å; N44-S47 VanDerWaalsContact OD1-CA 3.26Å; N44-S47 WeakPolarHBondContact OD1-CA 3.28Å; N44-S47 PolarHBondContact OD1-N 2.83Å; S47-T49 VanDerWaalsContact C-N 3.3Å; S47-R64 WeakPolarHBondContact OG-CD 3.01Å; S47-R64 VanDerWaalsContact OG-CG 3.22Å; S47-R64 WeakPolarHBondContact OG-CG 3.44Å
48	S	96.4	Very high	94.5	Very high	84 Å²	84	56.2 Å²	56.2	59%	0.587	31%	0.313	S	S	*	.	S	Bend	trans	-72.4	-24.5	176.9	62.6	0	0	0	0	113.2	N44 D46	N44-S48 PolarHBondContact ND2-OG 2.61Å; N44-S48 PolarHBondContact OD1-N 2.01Å; D46-S48 PolarHBondContact O-N 2.82Å; D46-S48 VanDerWaalsContact OD1-CB 3.26Å; D46-S48 WeakPolarHBondContact OD1-CB 3.4Å; D46-S48 PolarHBondContact OD1-N 2.91Å; D46-S48 PolarHBondContact OD1-OG 2.97Å; D46-S48 PolarHBondContact OD2-OG 3Å
49	T	95.9	Very high	94.3	Very high	58 Å²	58	54.9 Å²	54.9	36%	0.356	31%	0.306	S	S	.	.			trans	-127.4	130.8	-177.7	-55.7	0	0	0	0	110.8	W25 N44 S47	W25-T49 HydrophobicContact CH2-CG2 3.91Å; W25-T49 HydrophobicContact CZ3-CG2 4.45Å; N44-T49 PolarHBondContact N-O 3.01Å; N44-T49 VanDerWaalsContact N-O 3.1Å; N44-T49 PolarHBondContact OD1-N 2.89Å; N44-T49 PolarHBondContact OD1-O 2.9Å; N44-T49 VanDerWaalsContact OD1-O 3.12Å; S47-T49 VanDerWaalsContact C-N 3.3Å
50	I	96	Very high	94.3	Very high	61 Å²	61	51.6 Å²	51.6	31%	0.313	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	122.9	172.9	-44.7	179.2	0	0	0	108.8	E42 I43 Y52 I62	E42-I50 CarbonylContact O-C 3.54Å; E42-I50 VanDerWaalsContact O-CA 3.31Å; E42-I50 WeakPolarHBondContact O-CA 3Å; E42-I50 VanDerWaalsContact O-CG2 3.25Å; E42-I50 WeakPolarHBondContact O-CG2 3.2Å; I43-I50 HydrophobicContact CB-CG1 4.39Å; I43-I50 HydrophobicContact CB-CG2 4.48Å; I43-I50 HydrophobicContact CD1-CD1 3.91Å; I43-I50 HydrophobicContact CD1-CG1 3.98Å; I43-I50 HydrophobicContact CG1-CD1 4.46Å; I43-I50 HydrophobicContact CG1-CG1 3.98Å; I50-Y52 HydrophobicContact CB-CE2 3.88Å; I50-Y52 HydrophobicContact CG2-CD2 4.02Å; I50-Y52 HydrophobicContact CG2-CE1 4.34Å; I50-Y52 HydrophobicContact CG2-CE2 3.28Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.47Å; I50-I62 HydrophobicContact CG2-CB 4.2Å; I50-I62 HydrophobicContact CG2-CD1 4.47Å
51	N	95.1	Very high	94.3	Very high	37 Å²	37	56.3 Å²	56.3	20%	0.198	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	146.8	174.7	-55.6	-58	0	0	0	109.8	W25 W39 G41 E42 Y94	W25-N51 VanDerWaalsContact CZ3-ND2 3.32Å; W25-N51 WeakPolarHBondContact CZ3-ND2 3.38Å; W39-N51 HydrophobicContact CH2-CB 3.77Å; W39-N51 HydrophobicContact CZ2-CB 4.39Å; G41-N51 CarbonylContact C-O 3.57Å; G41-N51 WeakPolarHBondContact CA-O 3.38Å; E42-N51 HydrophobicContact CG-CB 4.25Å; E42-N51 PolarHBondContact N-O 2.77Å; E42-N51 PolarHBondContact O-N 2.86Å; N51-Y94 HydrophobicContact CB-CE1 4.48Å; N51-Y94 VanDerWaalsContact CG-OH 3.29Å; N51-Y94 WeakPolarHBondContact ND2-CE1 3.43Å; N51-Y94 VanDerWaalsContact ND2-CZ 3.25Å; N51-Y94 PolarHBondContact ND2-OH 3.41Å; N51-Y94 PolarHBondContact OD1-OH 3.03Å
52	Y	95.8	Very high	94.4	Very high	42 Å²	42	56.4 Å²	56.4	17%	0.165	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	153.8	179.1	-69.4	-86.9	0	0	0	110.5	I40 I50 K57 F60 I62	I40-Y52 WeakPolarHBondContact O-CA 3.49Å; I50-Y52 HydrophobicContact CB-CE2 3.88Å; I50-Y52 HydrophobicContact CG2-CD2 4.02Å; I50-Y52 HydrophobicContact CG2-CE1 4.34Å; I50-Y52 HydrophobicContact CG2-CE2 3.28Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.47Å; Y52-K57 HydrophobicContact CD2-CB 4.47Å; Y52-K57 HydrophobicContact CD2-CG 3.89Å; Y52-K57 HydrophobicContact CG-CB 4.12Å; Y52-K57 HydrophobicContact CG-CG 4.05Å; Y52-F60 HydrophobicContact CE1-CB 4.49Å; Y52-F60 VanDerWaalsContact CE1-O 3.32Å; Y52-F60 WeakPolarHBondContact CE1-O 3.25Å; Y52-I62 HydrophobicContact CD1-CD1 4.35Å; Y52-I62 HydrophobicContact CE1-CD1 3.84Å; Y52-I62 HydrophobicContact CE1-CG1 3.84Å; Y52-I62 PolarHBondContact OH-N 3.23Å
53	T	94.5	Very high	94.6	Very high	30 Å²	30	58.1 Å²	58.1	18%	0.184	33%	0.331	C	S	.	.			trans	-62.3	126.2	156.8	-68	0	0	0	0	108.5	W39 I40 S55 L56 K57	W39-T53 VanDerWaalsContact CE3-OG1 3.3Å; W39-T53 WeakPolarHBondContact O-CB 2.94Å; W39-T53 PolarHBondContact O-OG1 2.86Å; I40-T53 PolarHBondContact O-N 3.47Å; T53-S55 VanDerWaalsContact C-N 3.27Å; T53-S55 WeakPolarHBondContact CG2-OG 2.95Å; T53-S55 PolarHBondContact O-N 3.23Å; T53-S55 VanDerWaalsContact O-N 3.13Å; T53-L56 HydrophobicContact CG2-CD1 4.4Å; T53-L56 HydrophobicContact CG2-CG 4.21Å; T53-L56 PolarHBondContact O-N 3.46Å; T53-K57 PolarHBondContact O-N 2.93Å
54	P	93	Very high	94.6	Very high	115 Å²	115	59.2 Å²	59.2	75%	0.747	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-39.2	-171.7	-30.9	35.8	0	0	0	114.7	L56	P54-L56 PolarHBondContact O-N 3.31Å
55	S	90.8	Very high	94.8	Very high	96 Å²	96	60.5 Å²	60.5	67%	0.671	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-14.5	179.2	55.2	0	0	0	0	114.4	T53	T53-S55 VanDerWaalsContact C-N 3.27Å; T53-S55 WeakPolarHBondContact CG2-OG 2.95Å; T53-S55 PolarHBondContact O-N 3.23Å; T53-S55 VanDerWaalsContact O-N 3.13Å
56	L	90.8	Very high	94.8	Very high	12 Å²	12	61.6 Å²	61.6	6%	0.063	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-11.7	-172.5	-59.2	-172.3	0	0	0	113.3	E38 I40 T53 P54 D58 K59 F60	E38-L56 HydrophobicContact CG-CD1 4.26Å; I40-L56 HydrophobicContact CB-CD1 4.45Å; I40-L56 HydrophobicContact CG1-CD1 4.18Å; I40-L56 HydrophobicContact CG2-CD1 4.47Å; T53-L56 HydrophobicContact CG2-CD1 4.4Å; T53-L56 HydrophobicContact CG2-CG 4.21Å; T53-L56 PolarHBondContact O-N 3.46Å; P54-L56 PolarHBondContact O-N 3.31Å; L56-D58 VanDerWaalsContact C-N 3.32Å; L56-D58 PolarHBondContact O-N 3.37Å; L56-K59 PolarHBondContact O-N 3.11Å; L56-K59 VanDerWaalsContact O-N 3.11Å; L56-F60 HydrophobicContact CB-CD2 3.88Å; L56-F60 HydrophobicContact CB-CE2 4.1Å; L56-F60 HydrophobicContact CD1-CE2 4.33Å; L56-F60 HydrophobicContact CD2-CE2 4.14Å; L56-F60 HydrophobicContact CG-CE2 4.41Å; L56-F60 WeakPolarHBondContact O-CD2 3.42Å; L56-F60 PolarHBondContact O-N 3.08Å
57	K	89.1	Confident	94.9	Very high	128 Å²	128	61 Å²	61	56%	0.557	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-39.5	-174.4	-177.4	180	176	-175.9	0	114	Y52 T53 K59	Y52-K57 HydrophobicContact CD2-CB 4.47Å; Y52-K57 HydrophobicContact CD2-CG 3.89Å; Y52-K57 HydrophobicContact CG-CB 4.12Å; Y52-K57 HydrophobicContact CG-CG 4.05Å; T53-K57 PolarHBondContact O-N 2.93Å; K57-K59 PolarHBondContact O-N 2.94Å
58	D	90.2	Very high	94.9	Very high	163 Å²	163	64.7 Å²	64.7	87%	0.872	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-6	-175.5	-61.6	-31.2	0	0	0	113.3	L56	L56-D58 VanDerWaalsContact C-N 3.32Å; L56-D58 PolarHBondContact O-N 3.37Å
59	K	91.4	Very high	95	Very high	38 Å²	38	63.7 Å²	63.7	17%	0.165	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-31.8	-173.8	-166.8	169.8	-163.6	174.2	0	113.4	L56 K57 S76 D82	L56-K59 PolarHBondContact O-N 3.11Å; L56-K59 VanDerWaalsContact O-N 3.11Å; K57-K59 PolarHBondContact O-N 2.94Å; K59-S76 PolarHBondContact O-N 2.9Å; K59-D82 WeakPolarHBondContact CE-OD1 3.4Å; K59-D82 WeakPolarHBondContact CE-OD2 3.19Å; K59-D82 IonicContact NZ-OD1 3.72Å; K59-D82 PolarHBondContact NZ-OD1 3.04Å; K59-D82 IonicContact NZ-OD2 2.75Å; K59-D82 PolarHBondContact NZ-OD2 2.84Å
60	F	95.2	Very high	95.1	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	139	-173.9	-60.5	-65.6	0	0	0	111.3	I40 Y52 L56 L73 Q74 M75 Y86	I40-F60 HydrophobicContact CG2-CB 3.97Å; I40-F60 HydrophobicContact CG2-CD2 3.63Å; I40-F60 HydrophobicContact CG2-CE2 4.35Å; I40-F60 HydrophobicContact CG2-CG 3.88Å; Y52-F60 HydrophobicContact CE1-CB 4.49Å; Y52-F60 VanDerWaalsContact CE1-O 3.32Å; Y52-F60 WeakPolarHBondContact CE1-O 3.25Å; L56-F60 HydrophobicContact CB-CD2 3.88Å; L56-F60 HydrophobicContact CB-CE2 4.1Å; L56-F60 HydrophobicContact CD1-CE2 4.33Å; L56-F60 HydrophobicContact CD2-CE2 4.14Å; L56-F60 HydrophobicContact CG-CE2 4.41Å; L56-F60 WeakPolarHBondContact O-CD2 3.42Å; L56-F60 PolarHBondContact O-N 3.08Å; F60-L73 HydrophobicContact CB-CD1 3.84Å; F60-L73 HydrophobicContact CD1-CD1 4.24Å; F60-L73 HydrophobicContact CD1-CD2 4.08Å; F60-L73 HydrophobicContact CD1-CG 4.12Å; F60-L73 HydrophobicContact CE1-CD2 4.49Å; F60-L73 HydrophobicContact CG-CD1 4.27Å; F60-Q74 WeakPolarHBondContact CA-O 3.46Å; F60-M75 HydrophobicContact CD1-CB 4.17Å; F60-M75 HydrophobicContact CD1-CG 3.7Å; F60-M75 HydrophobicContact CE1-CB 4.07Å; F60-M75 HydrophobicContact CE1-CE 3.81Å; F60-M75 HydrophobicContact CE1-CG 3.63Å; F60-M75 HydrophobicContact CE1-SD 4.24Å; F60-Y86 HydrophobicContact CE1-CE1 4.31Å; F60-Y86 HydrophobicContact CZ-CE1 4.47Å
61	I	96.8	Very high	95.2	Very high	99 Å²	99	58.8 Å²	58.8	51%	0.508	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	113.9	171.2	-53.6	169.9	0	0	0	108	Q74	I61-Q74 HydrophobicContact CB-CB 4.11Å; I61-Q74 PolarHBondContact N-O 2.94Å; I61-Q74 PolarHBondContact O-N 3.13Å
62	I	97.8	Very high	95.3	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.01	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	135.8	173.9	-58.1	172.9	0	0	0	108.5	I43 I50 Y52 L71 Y72 L73	I43-I62 HydrophobicContact CB-CG2 3.85Å; I43-I62 HydrophobicContact CG2-CG2 3.59Å; I50-I62 HydrophobicContact CG2-CB 4.2Å; I50-I62 HydrophobicContact CG2-CD1 4.47Å; Y52-I62 HydrophobicContact CD1-CD1 4.35Å; Y52-I62 HydrophobicContact CE1-CD1 3.84Å; Y52-I62 HydrophobicContact CE1-CG1 3.84Å; Y52-I62 PolarHBondContact OH-N 3.23Å; I62-L71 HydrophobicContact CG2-CD1 3.99Å; I62-Y72 WeakPolarHBondContact CA-O 3.41Å; I62-L73 HydrophobicContact CG1-CD1 3.68Å
63	S	98.1	Very high	95.4	Very high	41 Å²	41	56.9 Å²	56.9	29%	0.287	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	164.5	171.7	52.9	0	0	0	0	110.2	Y72	S63-Y72 PolarHBondContact N-O 3.11Å; S63-Y72 VanDerWaalsContact N-O 3.1Å; S63-Y72 PolarHBondContact O-N 3.46Å
64	R	98.1	Very high	95.6	Very high	25 Å²	25	58 Å²	58	9%	0.094	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	153.7	-178.5	63.2	-175.4	-66.2	159.7	3.3	111.5	F21 Y24 I43 N44 P45 S47 N66 T70 L71	F21-R64 VanDerWaalsContact CD1-NH2 3.29Å; F21-R64 HydrophobicContact CE1-CB 4.12Å; F21-R64 VanDerWaalsContact CE1-NH2 3.26Å; F21-R64 HydrophobicContact CZ-CB 4.09Å; F21-R64 PolarHBondContact O-NH2 3.27Å; Y24-R64 PolarHBondContact O-NH1 2.92Å; I43-R64 HydrophobicContact CD1-CG 3.98Å; I43-R64 HydrophobicContact CG1-CG 4.4Å; I43-R64 HydrophobicContact CG2-CB 4.47Å; I43-R64 HydrophobicContact CG2-CG 4.49Å; N44-R64 WeakPolarHBondContact O-CD 3.38Å; N44-R64 PolarHBondContact O-NH1 3.27Å; P45-R64 VanDerWaalsContact CA-NH1 3.3Å; S47-R64 WeakPolarHBondContact OG-CD 3.01Å; S47-R64 VanDerWaalsContact OG-CG 3.22Å; S47-R64 WeakPolarHBondContact OG-CG 3.44Å; R64-N66 VanDerWaalsContact CZ-OD1 3.23Å; R64-N66 PolarHBondContact NE-OD1 2.9Å; R64-N66 PolarHBondContact NH2-OD1 2.81Å; R64-T70 CarbonylContact C-O 3.6Å; R64-T70 WeakPolarHBondContact CA-O 3.5Å; R64-L71 HydrophobicContact CB-CD1 4.17Å
65	D	97.9	Very high	95.6	Very high	40 Å²	40	52.6 Å²	52.6	21%	0.214	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	105.8	171.8	-177	-25.8	0	0	0	108	A67 K68 N69 T70 Y72	D65-A67 WeakPolarHBondContact OD1-CB 3.32Å; D65-A67 PolarHBondContact OD1-N 3.01Å; D65-K68 HydrophobicContact CB-CB 4.23Å; D65-K68 CarbonylContact O-C 3.59Å; D65-K68 PolarHBondContact O-N 2.86Å; D65-K68 PolarHBondContact OD1-N 2.78Å; D65-K68 VanDerWaalsContact OD1-N 3.08Å; D65-K68 WeakPolarHBondContact OD2-CD 3.21Å; D65-K68 VanDerWaalsContact OD2-CE 3.25Å; D65-K68 WeakPolarHBondContact OD2-CE 3.41Å; D65-K68 WeakPolarHBondContact OD2-CG 3.35Å; D65-K68 IonicContact OD2-NZ 2.79Å; D65-K68 PolarHBondContact OD2-NZ 3.21Å; D65-N69 PolarHBondContact O-N 3.1Å; D65-T70 PolarHBondContact N-O 3.19Å; D65-T70 PolarHBondContact O-N 3.01Å; D65-Y72 HydrophobicContact CB-CE2 3.86Å
66	N	97.3	Very high	95.6	Very high	59 Å²	59	50.3 Å²	50.3	32%	0.316	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-30.8	-177.1	-72.4	-15.8	0	0	0	112.3	F21 P45 R64 K68 N69	F21-N66 WeakPolarHBondContact CD1-OD1 3.31Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.32Å; P45-N66 PolarHBondContact O-ND2 2.86Å; R64-N66 VanDerWaalsContact CZ-OD1 3.23Å; R64-N66 PolarHBondContact NE-OD1 2.9Å; R64-N66 PolarHBondContact NH2-OD1 2.81Å; N66-K68 VanDerWaalsContact C-N 3.25Å; N66-K68 PolarHBondContact O-N 2.79Å; N66-N69 PolarHBondContact O-N 2.84Å; N66-N69 PolarHBondContact O-OD1 2.9Å
67	A	96.4	Very high	95.7	Very high	99 Å²	99	57.5 Å²	57.5	82%	0.818	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-29.8	177.3	0	0	0	0	0	111.6	D65	D65-A67 WeakPolarHBondContact OD1-CB 3.32Å; D65-A67 PolarHBondContact OD1-N 3.01Å
68	K	97.4	Very high	95.9	Very high	130 Å²	130	51.5 Å²	51.5	57%	0.565	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	2.4	176.6	-61.5	-177.2	-166.6	126.8	0	114	D65 N66 T70	D65-K68 HydrophobicContact CB-CB 4.23Å; D65-K68 CarbonylContact O-C 3.59Å; D65-K68 PolarHBondContact O-N 2.86Å; D65-K68 PolarHBondContact OD1-N 2.78Å; D65-K68 VanDerWaalsContact OD1-N 3.08Å; D65-K68 WeakPolarHBondContact OD2-CD 3.21Å; D65-K68 VanDerWaalsContact OD2-CE 3.25Å; D65-K68 WeakPolarHBondContact OD2-CE 3.41Å; D65-K68 WeakPolarHBondContact OD2-CG 3.35Å; D65-K68 IonicContact OD2-NZ 2.79Å; D65-K68 PolarHBondContact OD2-NZ 3.21Å; N66-K68 VanDerWaalsContact C-N 3.25Å; N66-K68 PolarHBondContact O-N 2.79Å; K68-T70 PolarHBondContact O-N 2.82Å; K68-T70 VanDerWaalsContact O-N 3.1Å; K68-T70 PolarHBondContact O-OG1 2.76Å
69	N	97.1	Very high	96	Very high	63 Å²	63	49.9 Å²	49.9	34%	0.337	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	39.4	-171.8	-61.1	-40	0	0	0	112.8	A16 F21 D65 N66	A16-N69 WeakPolarHBondContact CB-O 3.4Å; A16-N69 PolarHBondContact N-O 3.37Å; F21-N69 HydrophobicContact CB-CB 3.92Å; F21-N69 WeakPolarHBondContact CB-OD1 3.37Å; F21-N69 HydrophobicContact CD1-CB 4.45Å; F21-N69 HydrophobicContact CG-CB 4.17Å; D65-N69 PolarHBondContact O-N 3.1Å; N66-N69 PolarHBondContact O-N 2.84Å; N66-N69 PolarHBondContact O-OD1 2.9Å
70	T	98.1	Very high	96.1	Very high	15 Å²	15	51 Å²	51	9%	0.092	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	130.4	-170	-58.6	0	0	0	0	111.8	C14 R64 D65 K68 Y72	C14-T70 CarbonylContact O-C 3.49Å; C14-T70 WeakPolarHBondContact O-CA 2.97Å; R64-T70 CarbonylContact C-O 3.6Å; R64-T70 WeakPolarHBondContact CA-O 3.5Å; D65-T70 PolarHBondContact N-O 3.19Å; D65-T70 PolarHBondContact O-N 3.01Å; K68-T70 PolarHBondContact O-N 2.82Å; K68-T70 VanDerWaalsContact O-N 3.1Å; K68-T70 PolarHBondContact O-OG1 2.76Å; T70-Y72 HydrophobicContact CG2-CD1 4.11Å; T70-Y72 HydrophobicContact CG2-CD2 4.49Å; T70-Y72 HydrophobicContact CG2-CE1 3.47Å; T70-Y72 VanDerWaalsContact CG2-CE1 3.47Å; T70-Y72 HydrophobicContact CG2-CE2 3.91Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.48Å
71	L	98.3	Very high	96	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	143.7	170.3	-171.6	71	0	0	0	110.1	S13 C14 F21 M26 W28 I43 I62 R64 C88	S13-L71 CarbonylContact C-O 3.53Å; S13-L71 VanDerWaalsContact CA-O 3.32Å; S13-L71 WeakPolarHBondContact CA-O 3.35Å; C14-L71 HydrophobicContact CB-CB 4.37Å; C14-L71 PolarHBondContact N-O 2.66Å; C14-L71 PolarHBondContact O-N 3.43Å; F21-L71 HydrophobicContact CE2-CB 4.25Å; F21-L71 HydrophobicContact CZ-CB 4.16Å; M26-L71 HydrophobicContact CB-CD1 3.66Å; M26-L71 HydrophobicContact CB-CD2 3.88Å; M26-L71 HydrophobicContact CB-CG 4.27Å; W28-L71 HydrophobicContact CD2-CD2 4.32Å; W28-L71 HydrophobicContact CG-CD2 4.26Å; W28-L71 HydrophobicContact CZ2-CD2 4.31Å; W28-L71 HydrophobicContact CZ2-CG 4.43Å; W28-L71 VanDerWaalsContact NE1-CD2 3.26Å; I43-L71 HydrophobicContact CG2-CD1 3.54Å; I62-L71 HydrophobicContact CG2-CD1 3.99Å; R64-L71 HydrophobicContact CB-CD1 4.17Å; L71-C88 HydrophobicContact CD2-CB 4Å
72	Y	98.3	Very high	95.9	Very high	40 Å²	40	52.3 Å²	52.3	16%	0.157	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	148.2	178.4	-55.7	-78.9	0	0	0	112.2	K11 L12 W28 I62 S63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.45Å; L12-Y72 WeakPolarHBondContact O-CA 3.11Å; W28-Y72 PolarHBondContact NE1-O 2.69Å; I62-Y72 WeakPolarHBondContact CA-O 3.41Å; S63-Y72 PolarHBondContact N-O 3.11Å; S63-Y72 VanDerWaalsContact N-O 3.1Å; S63-Y72 PolarHBondContact O-N 3.46Å; D65-Y72 HydrophobicContact CB-CE2 3.86Å; T70-Y72 HydrophobicContact CG2-CD1 4.11Å; T70-Y72 HydrophobicContact CG2-CD2 4.49Å; T70-Y72 HydrophobicContact CG2-CE1 3.47Å; T70-Y72 VanDerWaalsContact CG2-CE1 3.47Å; T70-Y72 HydrophobicContact CG2-CE2 3.91Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.48Å
73	L	98	Very high	95.8	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	109.4	168.9	-169.8	69.6	0	0	0	108.7	K11 L12 W28 I40 F60 I62 M75 Y86	K11-L73 WeakPolarHBondContact CA-O 3.34Å; L12-L73 HydrophobicContact CB-CB 4.21Å; L12-L73 HydrophobicContact CD1-CD2 4.3Å; L12-L73 PolarHBondContact N-O 3Å; L12-L73 PolarHBondContact O-N 3Å; W28-L73 HydrophobicContact CB-CD1 4.24Å; W28-L73 HydrophobicContact CB-CD2 4.39Å; W28-L73 HydrophobicContact CD2-CB 3.87Å; W28-L73 HydrophobicContact CD2-CD2 4.12Å; W28-L73 HydrophobicContact CD2-CG 4.42Å; W28-L73 HydrophobicContact CE3-CD2 4.31Å; W28-L73 HydrophobicContact CG-CB 4.11Å; W28-L73 HydrophobicContact CG-CD1 3.95Å; W28-L73 HydrophobicContact CG-CD2 4.15Å; W28-L73 HydrophobicContact CG-CG 4.32Å; W28-L73 HydrophobicContact CZ2-CB 3.99Å; I40-L73 HydrophobicContact CD1-CD2 3.87Å; I40-L73 HydrophobicContact CG2-CD1 4.36Å; F60-L73 HydrophobicContact CB-CD1 3.84Å; F60-L73 HydrophobicContact CD1-CD1 4.24Å; F60-L73 HydrophobicContact CD1-CD2 4.08Å; F60-L73 HydrophobicContact CD1-CG 4.12Å; F60-L73 HydrophobicContact CE1-CD2 4.49Å; F60-L73 HydrophobicContact CG-CD1 4.27Å; I62-L73 HydrophobicContact CG1-CD1 3.68Å; L73-M75 HydrophobicContact CD2-CG 4.34Å; L73-M75 HydrophobicContact CG-CG 4.32Å; L73-Y86 HydrophobicContact CD2-CD1 3.68Å; L73-Y86 HydrophobicContact CD2-CE1 3.88Å
74	Q	96.9	Very high	95.8	Very high	54 Å²	54	51.7 Å²	51.7	25%	0.252	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	129.7	169.7	-174.5	71.7	29	0	0	108.8	K11 F60 I61	K11-Q74 VanDerWaalsContact CB-OE1 3.28Å; F60-Q74 WeakPolarHBondContact CA-O 3.46Å; I61-Q74 HydrophobicContact CB-CB 4.11Å; I61-Q74 PolarHBondContact N-O 2.94Å; I61-Q74 PolarHBondContact O-N 3.13Å
75	M	94.5	Very high	95.7	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	129.1	177	-46.7	172	53.1	0	0	107.4	S9 L10 L12 F60 L73 V78 D82 Y86 V106	S9-M75 CarbonylContact C-O 3.56Å; S9-M75 WeakPolarHBondContact CA-O 3.33Å; S9-M75 WeakPolarHBondContact CB-O 3.24Å; L10-M75 HydrophobicContact CB-SD 4.48Å; L10-M75 HydrophobicContact CD2-SD 4.21Å; L10-M75 PolarHBondContact N-O 3.07Å; L10-M75 PolarHBondContact O-N 3.18Å; L12-M75 HydrophobicContact CD1-SD 4.17Å; L12-M75 HydrophobicContact CG-SD 4.29Å; F60-M75 HydrophobicContact CD1-CB 4.17Å; F60-M75 HydrophobicContact CD1-CG 3.7Å; F60-M75 HydrophobicContact CE1-CB 4.07Å; F60-M75 HydrophobicContact CE1-CE 3.81Å; F60-M75 HydrophobicContact CE1-CG 3.63Å; F60-M75 HydrophobicContact CE1-SD 4.24Å; L73-M75 HydrophobicContact CD2-CG 4.34Å; L73-M75 HydrophobicContact CG-CG 4.32Å; M75-V78 HydrophobicContact CB-CG1 3.79Å; M75-V78 HydrophobicContact CE-CG1 4.04Å; M75-D82 HydrophobicContact CE-CB 3.98Å; M75-Y86 HydrophobicContact CE-CE1 4.17Å; M75-Y86 HydrophobicContact CE-CE2 4.19Å; M75-Y86 VanDerWaalsContact CE-OH 3.26Å; M75-Y86 WeakPolarHBondContact CE-OH 3.5Å; M75-Y86 HydrophobicContact SD-CE1 4.26Å; M75-V106 HydrophobicContact CE-CG1 4.4Å
76	S	91.1	Very high	95.7	Very high	48 Å²	48	51.6 Å²	51.6	34%	0.336	27%	0.268	S	S	.	.			trans	-121.3	146.5	179.4	-63.2	0	0	0	0	110.6	K59 V78	K59-S76 PolarHBondContact O-N 2.9Å; S76-V78 VanDerWaalsContact C-N 3.32Å; S76-V78 PolarHBondContact O-N 2.97Å
77	K	91.5	Very high	95.8	Very high	163 Å²	163	50.7 Å²	50.7	71%	0.709	26%	0.26	S	S	*	.	S	Bend	trans	52.6	50.4	-179.9	-57.1	178	-179.1	177.2	0	111.6	G8	G8-K77 WeakPolarHBondContact O-CA 3.34Å; G8-K77 PolarHBondContact O-N 3.23Å
78	V	93.1	Very high	95.8	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.006	22%	0.224	C	C	.	.			trans	-60.4	144.5	-176.6	-59.3	0	0	0	0	111.1	V4 P6 G7 G8 M75 S76 D82 V108	V4-V78 HydrophobicContact CB-CG2 4.23Å; V4-V78 HydrophobicContact CG1-CG2 3.76Å; P6-V78 WeakPolarHBondContact CA-O 3.5Å; G7-V78 PolarHBondContact N-O 3.13Å; G8-V78 PolarHBondContact O-N 2.94Å; M75-V78 HydrophobicContact CB-CG1 3.79Å; M75-V78 HydrophobicContact CE-CG1 4.04Å; S76-V78 VanDerWaalsContact C-N 3.32Å; S76-V78 PolarHBondContact O-N 2.97Å; V78-D82 WeakPolarHBondContact CA-OD2 3.32Å; V78-V108 HydrophobicContact CB-CG2 3.97Å; V78-V108 HydrophobicContact CG2-CG1 4.06Å; V78-V108 HydrophobicContact CG2-CG2 3.92Å
79	R	93.7	Very high	95.7	Very high	129 Å²	129	40.3 Å²	40.3	49%	0.487	20%	0.198	S	C	.	.			trans	-126.6	166	-179.8	-55.1	-172.9	-58.4	-150	-0.6	109.5	E81 D82 V108	R79-E81 IonicContact CZ-OE2 3.4Å; R79-E81 IonicContact NE-OE2 2.65Å; R79-E81 PolarHBondContact NE-OE2 2.74Å; R79-E81 IonicContact NH2-OE2 3.34Å; R79-E81 PolarHBondContact NH2-OE2 2.94Å; R79-E81 PolarHBondContact O-N 2.98Å; R79-E81 VanDerWaalsContact O-N 3.11Å; R79-D82 PolarHBondContact N-OD2 2.97Å; R79-D82 WeakPolarHBondContact O-CB 3.29Å; R79-D82 PolarHBondContact O-N 3.32Å; R79-V108 VanDerWaalsContact C-CG1 3.48Å; R79-V108 WeakPolarHBondContact O-CB 3.27Å; R79-V108 WeakPolarHBondContact O-CG2 3.44Å
80	S	93	Very high	95.5	Very high	63 Å²	63	38.4 Å²	38.4	44%	0.441	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-50.8	-36.1	175.7	54.1	0	0	0	0	113	D82 T83	S80-D82 PolarHBondContact O-N 3.1Å; S80-T83 VanDerWaalsContact O-CB 3.24Å; S80-T83 WeakPolarHBondContact O-CB 3.34Å; S80-T83 PolarHBondContact O-N 3.14Å; S80-T83 PolarHBondContact O-OG1 3.14Å
81	E	92.4	Very high	94.8	Very high	123 Å²	123	37.8 Å²	37.8	58%	0.575	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-59.9	-19	174.5	-63.3	165.5	-160.2	0	0	115	R79 T83	R79-E81 IonicContact CZ-OE2 3.4Å; R79-E81 IonicContact NE-OE2 2.65Å; R79-E81 PolarHBondContact NE-OE2 2.74Å; R79-E81 IonicContact NH2-OE2 3.34Å; R79-E81 PolarHBondContact NH2-OE2 2.94Å; R79-E81 PolarHBondContact O-N 2.98Å; R79-E81 VanDerWaalsContact O-N 3.11Å; E81-T83 VanDerWaalsContact C-N 3.26Å
82	D	94.5	Very high	93.5	Very high	2 Å²	2	43 Å²	43	1%	0.011	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-86.1	1.1	175.8	-57.9	-50.9	0	0	0	112.9	R30 K59 M75 V78 R79 S80 A84 Y86 V108	R30-D82 IonicContact NH1-OD1 2.61Å; R30-D82 PolarHBondContact NH1-OD1 2.8Å; K59-D82 WeakPolarHBondContact CE-OD1 3.4Å; K59-D82 WeakPolarHBondContact CE-OD2 3.19Å; K59-D82 IonicContact NZ-OD1 3.72Å; K59-D82 PolarHBondContact NZ-OD1 3.04Å; K59-D82 IonicContact NZ-OD2 2.75Å; K59-D82 PolarHBondContact NZ-OD2 2.84Å; M75-D82 HydrophobicContact CE-CB 3.98Å; V78-D82 WeakPolarHBondContact CA-OD2 3.32Å; R79-D82 PolarHBondContact N-OD2 2.97Å; R79-D82 WeakPolarHBondContact O-CB 3.29Å; R79-D82 PolarHBondContact O-N 3.32Å; S80-D82 PolarHBondContact O-N 3.1Å; D82-A84 PolarHBondContact O-N 2.83Å; D82-Y86 WeakPolarHBondContact O-CE2 3.25Å; D82-Y86 PolarHBondContact O-OH 3.03Å; D82-V108 HydrophobicContact CB-CG2 4.37Å
83	T	96.3	Very high	91.7	Very high	30 Å²	30	45.9 Å²	45.9	18%	0.184	22%	0.221	C	C	.	.			trans	-65.2	110.6	172.2	-64	0	0	0	0	109.3	P33 S80 E81 V106 T107 V108	P33-T83 VanDerWaalsContact CD-O 3.24Å; P33-T83 WeakPolarHBondContact CD-O 3.26Å; S80-T83 VanDerWaalsContact O-CB 3.24Å; S80-T83 WeakPolarHBondContact O-CB 3.34Å; S80-T83 PolarHBondContact O-N 3.14Å; S80-T83 PolarHBondContact O-OG1 3.14Å; E81-T83 VanDerWaalsContact C-N 3.26Å; T83-V106 WeakPolarHBondContact CA-O 3.07Å; T83-T107 HydrophobicContact CG2-CG2 4.45Å; T83-V108 PolarHBondContact OG1-N 2.95Å; T83-V108 PolarHBondContact OG1-O 2.72Å
84	A	97	Very high	89.7	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.008	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	163.7	-176.6	0	0	0	0	0	111.2	R30 Q31 A32 D82 Y86 V106	R30-A84 HydrophobicContact CB-CB 4.05Å; Q31-A84 VanDerWaalsContact O-CA 3.32Å; Q31-A84 WeakPolarHBondContact O-CA 3.38Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.32Å; A32-A84 HydrophobicContact CB-CB 4.46Å; D82-A84 PolarHBondContact O-N 2.83Å; A84-Y86 HydrophobicContact CB-CD2 4.22Å; A84-Y86 HydrophobicContact CB-CE2 3.71Å; A84-Y86 WeakPolarHBondContact O-CD2 3.31Å; A84-V106 PolarHBondContact N-O 2.81Å; A84-V106 PolarHBondContact O-N 2.6Å
85	L	97.9	Very high	87.9	Confident	62 Å²	62	53.9 Å²	53.9	33%	0.325	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	127.4	159.3	-78	163.1	0	0	0	108.8	R30 Q31 Y87 L105	R30-L85 CarbonylContact C-O 3.47Å; R30-L85 WeakPolarHBondContact CA-O 3.43Å; Q31-L85 PolarHBondContact N-O 3.4Å; Q31-L85 PolarHBondContact O-N 3.12Å; L85-Y87 HydrophobicContact CB-CE2 3.64Å; L85-Y87 WeakPolarHBondContact CD1-OH 3.48Å; L85-L105 HydrophobicContact CD2-CB 3.91Å; L85-L105 HydrophobicContact CD2-CD1 4.41Å; L85-L105 HydrophobicContact CG-CD1 4.33Å
86	Y	97.9	Very high	86.6	Confident	1 Å²	1	63.5 Å²	63.5	0%	0.004	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	125.6	178.4	-73.2	-100.1	0	0	0	110.1	L12 R30 I40 F60 L73 M75 D82 A84 G103 T104 V106	L12-Y86 HydrophobicContact CD1-CD1 3.93Å; L12-Y86 HydrophobicContact CD1-CD2 4.2Å; L12-Y86 HydrophobicContact CD1-CG 3.64Å; R30-Y86 HydrophobicContact CB-CD1 3.92Å; R30-Y86 HydrophobicContact CB-CE1 3.88Å; R30-Y86 HydrophobicContact CB-CG 4.31Å; I40-Y86 HydrophobicContact CD1-CD1 3.82Å; I40-Y86 HydrophobicContact CD1-CE1 3.65Å; F60-Y86 HydrophobicContact CE1-CE1 4.31Å; F60-Y86 HydrophobicContact CZ-CE1 4.47Å; L73-Y86 HydrophobicContact CD2-CD1 3.68Å; L73-Y86 HydrophobicContact CD2-CE1 3.88Å; M75-Y86 HydrophobicContact CE-CE1 4.17Å; M75-Y86 HydrophobicContact CE-CE2 4.19Å; M75-Y86 VanDerWaalsContact CE-OH 3.26Å; M75-Y86 WeakPolarHBondContact CE-OH 3.5Å; M75-Y86 HydrophobicContact SD-CE1 4.26Å; D82-Y86 WeakPolarHBondContact O-CE2 3.25Å; D82-Y86 PolarHBondContact O-OH 3.03Å; A84-Y86 HydrophobicContact CB-CD2 4.22Å; A84-Y86 HydrophobicContact CB-CE2 3.71Å; A84-Y86 WeakPolarHBondContact O-CD2 3.31Å; Y86-G103 CarbonylContact O-C 3.47Å; Y86-G103 WeakPolarHBondContact O-CA 3.22Å; Y86-T104 PolarHBondContact N-O 3.34Å; Y86-T104 PolarHBondContact O-N 3.01Å; Y86-V106 HydrophobicContact CD2-CB 3.93Å; Y86-V106 HydrophobicContact CD2-CG2 3.65Å; Y86-V106 HydrophobicContact CE2-CB 3.8Å; Y86-V106 HydrophobicContact CE2-CG2 3.94Å
87	Y	97.6	Very high	85.9	Confident	39 Å²	39	65 Å²	65	15%	0.153	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	138.4	-179.1	-52.6	-90	0	0	0	109.8	W28 V29 Q31 L37 L85 W100	W28-Y87 WeakPolarHBondContact CA-O 3.44Å; W28-Y87 VanDerWaalsContact CE3-O 3.24Å; V29-Y87 PolarHBondContact N-O 3.26Å; V29-Y87 PolarHBondContact O-N 2.83Å; Q31-Y87 HydrophobicContact CB-CE2 4.08Å; L37-Y87 HydrophobicContact CD2-CD2 4.29Å; L37-Y87 HydrophobicContact CD2-CE2 4.15Å; L85-Y87 HydrophobicContact CB-CE2 3.64Å; L85-Y87 WeakPolarHBondContact CD1-OH 3.48Å; Y87-W100 HydrophobicContact CG-CE3 4.25Å; Y87-W100 HydrophobicContact CG-CZ3 4.39Å
88	C	96.6	Very high	85.2	Confident	10 Å²	10	59.6 Å²	59.6	7%	0.068	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	148.1	160.6	54.6	0	0	0	0	109.2	C14 S27 W28 L71 G101	C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.49Å; C14-C88 WeakPolarHBondContact SG-CB 3.35Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 3.18Å; S27-C88 CarbonylContact O-C 3.42Å; S27-C88 VanDerWaalsContact O-CA 3.28Å; S27-C88 WeakPolarHBondContact O-CA 3.38Å; W28-C88 HydrophobicContact CE3-CB 4.39Å; W28-C88 HydrophobicContact CH2-CB 4.28Å; W28-C88 HydrophobicContact CZ2-CB 4.44Å; W28-C88 HydrophobicContact CZ3-CB 4.25Å; L71-C88 HydrophobicContact CD2-CB 4Å; C88-G101 PolarHBondContact O-N 3.06Å
89	A	95.4	Very high	84.9	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.008	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	150.1	174.3	0	0	0	0	0	111.5	M26 S27 F97 Y99 W100	M26-A89 WeakPolarHBondContact CA-O 3.15Å; S27-A89 PolarHBondContact N-O 2.88Å; S27-A89 PolarHBondContact O-N 3.1Å; A89-F97 HydrophobicContact CB-CB 4.25Å; A89-F97 HydrophobicContact CB-CD1 3.6Å; A89-F97 HydrophobicContact CB-CE1 4.29Å; A89-F97 HydrophobicContact CB-CG 4.1Å; A89-Y99 CarbonylContact C-O 3.43Å; A89-Y99 WeakPolarHBondContact CA-O 3.39Å; A89-Y99 WeakPolarHBondContact CB-O 3.25Å; A89-W100 HydrophobicContact CB-CD2 3.91Å; A89-W100 HydrophobicContact CB-CE3 4.05Å; A89-W100 HydrophobicContact CB-CG 4.32Å; A89-W100 HydrophobicContact CB-CZ3 4.44Å
90	R	93.4	Very high	84.9	Confident	23 Å²	23	64.3 Å²	64.3	9%	0.087	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	125.8	167.6	-175.4	-173.1	75.2	164	-1	109.1	F19 Y24 M26 F97 A98 Y99	F19-R90 HydrophobicContact CE2-CG 4.25Å; F19-R90 HydrophobicContact CZ-CB 4.29Å; F19-R90 HydrophobicContact CZ-CG 4.46Å; Y24-R90 HydrophobicContact CD1-CG 4.46Å; Y24-R90 HydrophobicContact CG-CG 3.99Å; M26-R90 HydrophobicContact CE-CB 4.49Å; M26-R90 HydrophobicContact SD-CB 4.17Å; M26-R90 HydrophobicContact SD-CG 4.26Å; R90-F97 WeakPolarHBondContact O-CA 3.22Å; R90-A98 PolarHBondContact O-N 3.17Å; R90-Y99 HydrophobicContact CB-CD2 4.42Å; R90-Y99 VanDerWaalsContact CZ-CD2 3.43Å; R90-Y99 PolarHBondContact N-O 3.04Å; R90-Y99 VanDerWaalsContact NE-CD2 3.35Å; R90-Y99 VanDerWaalsContact NH2-CE2 3.29Å
91	S	82.8	Confident	85	Confident	3 Å²	3	62.5 Å²	62.5	2%	0.021	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	154.9	174.9	64.4	0	0	0	0	112.1	W25 S27 E42	W25-S91 WeakPolarHBondContact CB-OG 3.41Å; W25-S91 PolarHBondContact O-N 3.12Å; S27-S91 WeakPolarHBondContact OG-CB 3.35Å; S27-S91 PolarHBondContact OG-OG 2.75Å; E42-S91 WeakPolarHBondContact OE2-CB 3.44Å; E42-S91 PolarHBondContact OE2-OG 3.19Å
92	Y	71.9	Confident	85.1	Confident	108 Å²	108	65.7 Å²	65.7	42%	0.424	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	114.3	165	-85.2	-91.5	0	0	0	107.9	Y24 Y94 S95 W96	Y24-Y92 HydrophobicContact CD1-CE1 4.05Å; Y24-Y92 HydrophobicContact CD1-CE2 4.21Å; Y24-Y92 AromaticContact CD1-CZ 3.87Å; Y24-Y92 AromaticContact CE1-CE1 3.68Å; Y24-Y92 HydrophobicContact CE1-CE1 3.68Å; Y24-Y92 HydrophobicContact CE1-CE2 4Å; Y24-Y92 AromaticContact CE1-CZ 3.33Å; Y24-Y92 WeakPolarHBondContact CE1-OH 3.35Å; Y92-Y94 VanDerWaalsContact C-N 3.33Å; Y92-Y94 PolarHBondContact O-N 3.04Å; Y92-S95 PolarHBondContact O-N 3.41Å; Y92-S95 PolarHBondContact O-OG 3.37Å; Y92-S95 VanDerWaalsContact O-OG 3.13Å; Y92-W96 PolarHBondContact N-O 2.62Å
93	D	60.3	Low	85.1	Confident	102 Å²	102	67 Å²	67	55%	0.545	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	22.3	69.7	172.3	-87.1	-15	0	0	0	113	W25 S95	W25-D93 PolarHBondContact NE1-OD1 3.3Å; D93-S95 VanDerWaalsContact C-N 3.29Å; D93-S95 PolarHBondContact O-N 3.08Å; D93-S95 VanDerWaalsContact O-N 3.08Å
94	Y	56	Low	85.1	Confident	151 Å²	151	67.1 Å²	67.1	59%	0.592	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	-3.8	173	-52	-88.2	0	0	0	119.4	E42 N51 Y92	E42-Y94 WeakPolarHBondContact OE1-CD1 3.41Å; E42-Y94 WeakPolarHBondContact OE1-CE1 3.42Å; N51-Y94 HydrophobicContact CB-CE1 4.48Å; N51-Y94 VanDerWaalsContact CG-OH 3.29Å; N51-Y94 WeakPolarHBondContact ND2-CE1 3.43Å; N51-Y94 VanDerWaalsContact ND2-CZ 3.25Å; N51-Y94 PolarHBondContact ND2-OH 3.41Å; N51-Y94 PolarHBondContact OD1-OH 3.03Å; Y92-Y94 VanDerWaalsContact C-N 3.33Å; Y92-Y94 PolarHBondContact O-N 3.04Å
95	S	59.9	Low	85.1	Confident	70 Å²	70	71.3 Å²	71.3	49%	0.49	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-47.9	-165.9	47.5	0	0	0	0	114.7	Y92 D93	Y92-S95 PolarHBondContact O-N 3.41Å; Y92-S95 PolarHBondContact O-OG 3.37Å; Y92-S95 VanDerWaalsContact O-OG 3.13Å; D93-S95 VanDerWaalsContact C-N 3.29Å; D93-S95 PolarHBondContact O-N 3.08Å; D93-S95 VanDerWaalsContact O-N 3.08Å
96	W	67.2	Low	85	Confident	204 Å²	204	68.4 Å²	68.4	77%	0.773	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.6	139	-174.8	-55.3	-47.1	0	0	0	115	Y92	Y92-W96 PolarHBondContact N-O 2.62Å
97	F	75	Confident	84.9	Confident	79 Å²	79	70.9 Å²	70.9	35%	0.346	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	112.3	168.9	-58.9	-63.9	0	0	0	110.4	S27 V29 W39 A89 R90 W100	S27-F97 WeakPolarHBondContact OG-CE1 3.15Å; V29-F97 HydrophobicContact CG2-CZ 4.29Å; W39-F97 AromaticContact CD1-CZ 3.67Å; A89-F97 HydrophobicContact CB-CB 4.25Å; A89-F97 HydrophobicContact CB-CD1 3.6Å; A89-F97 HydrophobicContact CB-CE1 4.29Å; A89-F97 HydrophobicContact CB-CG 4.1Å; R90-F97 WeakPolarHBondContact O-CA 3.22Å; F97-W100 HydrophobicContact CB-CZ2 3.74Å; F97-W100 VanDerWaalsContact CB-NE1 3.31Å; F97-W100 HydrophobicContact CD2-CH2 4.04Å; F97-W100 AromaticContact CD2-CZ2 3.38Å; F97-W100 HydrophobicContact CD2-CZ2 3.38Å; F97-W100 HydrophobicContact CE2-CH2 4.37Å; F97-W100 HydrophobicContact CE2-CZ2 4.13Å; F97-W100 HydrophobicContact CG-CH2 4.42Å; F97-W100 AromaticContact CG-CZ2 3.64Å; F97-W100 HydrophobicContact CG-CZ2 3.64Å
98	A	77	Confident	84.6	Confident	49 Å²	49	69.3 Å²	69.3	41%	0.405	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-30.9	-177.9	0	0	0	0	0	113.4	R90	R90-A98 PolarHBondContact O-N 3.17Å
99	Y	87.4	Confident	84.1	Confident	128 Å²	128	70.4 Å²	70.4	50%	0.502	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	135.2	-179.4	-61.8	-60.4	0	0	0	110.3	F19 A89 R90	F19-Y99 HydrophobicContact CD1-CD2 4.3Å; A89-Y99 CarbonylContact C-O 3.43Å; A89-Y99 WeakPolarHBondContact CA-O 3.39Å; A89-Y99 WeakPolarHBondContact CB-O 3.25Å; R90-Y99 HydrophobicContact CB-CD2 4.42Å; R90-Y99 VanDerWaalsContact CZ-CD2 3.43Å; R90-Y99 PolarHBondContact N-O 3.04Å; R90-Y99 VanDerWaalsContact NE-CD2 3.35Å; R90-Y99 VanDerWaalsContact NH2-CE2 3.29Å
100	W	93.9	Very high	83	Confident	101 Å²	101	77.3 Å²	77.3	38%	0.383	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	140.2	179	-69.5	78.9	0	0	0	110.2	V29 L37 Y87 A89 F97	V29-W100 HydrophobicContact CB-CH2 4.04Å; V29-W100 HydrophobicContact CB-CZ3 3.73Å; V29-W100 HydrophobicContact CG1-CH2 3.96Å; V29-W100 HydrophobicContact CG1-CZ3 3.92Å; V29-W100 HydrophobicContact CG2-CH2 3.75Å; V29-W100 HydrophobicContact CG2-CZ3 3.81Å; L37-W100 HydrophobicContact CD1-CH2 4.11Å; Y87-W100 HydrophobicContact CG-CE3 4.25Å; Y87-W100 HydrophobicContact CG-CZ3 4.39Å; A89-W100 HydrophobicContact CB-CD2 3.91Å; A89-W100 HydrophobicContact CB-CE3 4.05Å; A89-W100 HydrophobicContact CB-CG 4.32Å; A89-W100 HydrophobicContact CB-CZ3 4.44Å; F97-W100 HydrophobicContact CB-CZ2 3.74Å; F97-W100 VanDerWaalsContact CB-NE1 3.31Å; F97-W100 HydrophobicContact CD2-CH2 4.04Å; F97-W100 AromaticContact CD2-CZ2 3.38Å; F97-W100 HydrophobicContact CD2-CZ2 3.38Å; F97-W100 HydrophobicContact CE2-CH2 4.37Å; F97-W100 HydrophobicContact CE2-CZ2 4.13Å; F97-W100 HydrophobicContact CG-CH2 4.42Å; F97-W100 AromaticContact CG-CZ2 3.64Å; F97-W100 HydrophobicContact CG-CZ2 3.64Å
101	G	94.6	Very high	82.5	Confident	26 Å²	26	80 Å²	80	27%	0.268	42%	0.421	S	S	.	.			trans	-70.5	161.8	165	0	0	0	0	0	111.3	C88 G103	C88-G101 PolarHBondContact O-N 3.06Å; G101-G103 PolarHBondContact O-N 3.21Å
102	Q	94.3	Very high	82.5	Confident	189 Å²	189	84.1 Å²	84.1	88%	0.883	44%	0.442	S	S	*	.			trans	-63.9	-13.7	-180	-65.5	-64	-46.2	0	0	114
103	G	95.1	Very high	83.1	Confident	31 Å²	31	82.7 Å²	82.7	32%	0.32	44%	0.443	S	S	.	.			trans	85.2	155	-176.4	0	0	0	0	0	112.9	Y86 G101	Y86-G103 CarbonylContact O-C 3.47Å; Y86-G103 WeakPolarHBondContact O-CA 3.22Å; G101-G103 PolarHBondContact O-N 3.21Å
104	T	96.6	Very high	84.4	Confident	32 Å²	32	81.6 Å²	81.6	20%	0.196	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	128.7	171.8	178.4	0	0	0	0	109.8	G1 L12 Y86 V106	G1-T104 WeakPolarHBondContact CA-OG1 3.44Å; G1-T104 PolarHBondContact N-OG1 2.75Å; L12-T104 HydrophobicContact CD1-CG2 4Å; L12-T104 HydrophobicContact CD2-CG2 4.09Å; Y86-T104 PolarHBondContact N-O 3.34Å; Y86-T104 PolarHBondContact O-N 3.01Å; T104-V106 PolarHBondContact O-N 3.38Å
105	L	96.6	Very high	86.2	Confident	89 Å²	89	77.3 Å²	77.3	47%	0.466	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	126.9	172.7	-177.9	62.2	0	0	0	109.3	G1 G2 L85	G1-L105 WeakPolarHBondContact CA-O 3.49Å; G2-L105 PolarHBondContact N-O 2.96Å; L85-L105 HydrophobicContact CD2-CB 3.91Å; L85-L105 HydrophobicContact CD2-CD1 4.41Å; L85-L105 HydrophobicContact CG-CD1 4.33Å
106	V	96.2	Very high	87.9	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	128.7	165.7	177.5	0	0	0	0	107.1	L10 L12 M75 T83 A84 Y86 T104 V108	L10-V106 HydrophobicContact CD2-CB 4.46Å; L10-V106 HydrophobicContact CD2-CG1 3.79Å; L10-V106 HydrophobicContact CD2-CG2 3.78Å; L12-V106 HydrophobicContact CD1-CG2 4.08Å; L12-V106 HydrophobicContact CD2-CG2 3.88Å; M75-V106 HydrophobicContact CE-CG1 4.4Å; T83-V106 WeakPolarHBondContact CA-O 3.07Å; A84-V106 PolarHBondContact N-O 2.81Å; A84-V106 PolarHBondContact O-N 2.6Å; Y86-V106 HydrophobicContact CD2-CB 3.93Å; Y86-V106 HydrophobicContact CD2-CG2 3.65Å; Y86-V106 HydrophobicContact CE2-CB 3.8Å; Y86-V106 HydrophobicContact CE2-CG2 3.94Å; T104-V106 PolarHBondContact O-N 3.38Å; V106-V108 HydrophobicContact CG1-CG2 4.37Å
107	T	95.3	Very high	89.4	Confident	54 Å²	54	68.7 Å²	68.7	33%	0.331	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	124.4	175.5	-55.6	0	0	0	0	108.3	G2 L3 V4 T83	G2-T107 PolarHBondContact O-N 3.36Å; L3-T107 WeakPolarHBondContact CA-O 3.24Å; L3-T107 HydrophobicContact CD1-CG2 4.04Å; V4-T107 PolarHBondContact N-O 3.27Å; T83-T107 HydrophobicContact CG2-CG2 4.45Å
108	V	92.2	Very high	90.5	Very high	5 Å²	5	67.9 Å²	67.9	3%	0.03	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	116.4	172.3	-174.7	0	0	0	0	106.9	V4 P6 V78 R79 D82 T83 V106	V4-V108 WeakPolarHBondContact O-CA 3.26Å; P6-V108 HydrophobicContact CG-CG1 4.13Å; V78-V108 HydrophobicContact CB-CG2 3.97Å; V78-V108 HydrophobicContact CG2-CG1 4.06Å; V78-V108 HydrophobicContact CG2-CG2 3.92Å; R79-V108 VanDerWaalsContact C-CG1 3.48Å; R79-V108 WeakPolarHBondContact O-CB 3.27Å; R79-V108 WeakPolarHBondContact O-CG2 3.44Å; D82-V108 HydrophobicContact CB-CG2 4.37Å; T83-V108 PolarHBondContact OG1-N 2.95Å; T83-V108 PolarHBondContact OG1-O 2.72Å; V106-V108 HydrophobicContact CG1-CG2 4.37Å
109	S	85.8	Confident	91.6	Very high	33 Å²	33	69.5 Å²	69.5	23%	0.231	40%	0.401	C	S	.	.			trans	-60.3	148.2	177.7	45.9	0	0	0	0	110.3	V4 Q5 P6	V4-S109 PolarHBondContact O-N 3.01Å; Q5-S109 PolarHBondContact OE1-OG 3.11Å; P6-S109 WeakPolarHBondContact CD-O 3.26Å; P6-S109 WeakPolarHBondContact CG-O 3.26Å
110	A	71.9	Confident	92	Very high	146 Å²	146	64.2 Å²	64.2	100%	1.207	39%	0.392	S	S	*	.			trans	-70.3	0	173	0	0	0	0	0	111.1

Retrieved 110 of 110 residues in 35.4 ms (Link to these results)

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