X5J5B6_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5B6, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 110 aa.

						>X5J5B6_MOUSE|X5J5B6
PGLAKPSQTLSLTCSVTGYSITSDYWNWIRKFPGNKLEYMGYISYSGSTYYNPSLKSRISITRDTSKNQYYLQLNSVTTEDTATYYCARRYDYDDAMDYWGQGTSVTVSS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	P	57.9	Low	82.9	Confident	153 Å²	153	81.4 Å²	81.4	99%	0.994	49%	0.486	S	S	*	.				0	118.4	0	-17.6	32.2	0	0	0	109.9	S105	P1-S105 CarbonylContact C-O 3.6Å; P1-S105 WeakPolarHBondContact CA-O 2.86Å
2	G	74.8	Confident	84	Confident	32 Å²	32	75.4 Å²	75.4	33%	0.33	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	132.4	176	0	0	0	0	0	110.7	S105 V106 T107	G2-S105 PolarHBondContact N-O 2.82Å; G2-V106 WeakPolarHBondContact O-CA 3.44Å; G2-T107 PolarHBondContact O-N 2.58Å
3	L	76.7	Confident	84.9	Confident	138 Å²	138	75.1 Å²	75.1	72%	0.723	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.1	122.5	170.2	-175.2	66.7	0	0	0	108.3
4	A	79.4	Confident	85.6	Confident	12 Å²	12	70.4 Å²	70.4	10%	0.099	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	146.6	177	0	0	0	0	0	110.4	V77 T107 V108 S109	A4-V77 HydrophobicContact CB-CG2 4.31Å; A4-T107 PolarHBondContact N-O 3.03Å; A4-V108 HydrophobicContact CB-CG2 4.32Å; A4-V108 WeakPolarHBondContact O-CA 3.45Å; A4-S109 PolarHBondContact O-N 2.97Å
5	K	81.5	Confident	86.3	Confident	140 Å²	140	70.5 Å²	70.5	61%	0.609	43%	0.427	S	S	*	.			trans	-87.9	152.9	170.8	-63.3	-175.3	178.2	-175.2	0	109.9	Q8 V77	K5-Q8 HydrophobicContact CB-CG 4.14Å; K5-Q8 WeakPolarHBondContact O-CB 3.4Å; K5-Q8 WeakPolarHBondContact O-CG 3.39Å; K5-Q8 PolarHBondContact O-N 3.36Å; K5-V77 WeakPolarHBondContact O-CG2 3.43Å
6	P	84.6	Confident	86.6	Confident	51 Å²	51	67 Å²	67	33%	0.331	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	151.5	173.6	-26	34.4	0	0	0	112.6	Q8 V77 V108 S109	P6-Q8 PolarHBondContact O-N 3.43Å; P6-Q8 VanDerWaalsContact O-N 3.1Å; P6-V77 CarbonylContact C-O 3.52Å; P6-V77 WeakPolarHBondContact CA-O 3.33Å; P6-V108 HydrophobicContact CG-CG1 4.27Å; P6-S109 WeakPolarHBondContact CD-O 3.38Å
7	S	86.3	Confident	86.8	Confident	102 Å²	102	69.4 Å²	69.4	71%	0.713	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	2.8	-179.4	-51.9	0	0	0	0	115.5	V77	S7-V77 PolarHBondContact N-O 2.9Å
8	Q	90.1	Very high	86.8	Confident	94 Å²	94	69.8 Å²	69.8	44%	0.439	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-79.8	166.1	170.9	-64.8	-171.8	-44.1	0	0	111.4	K5 P6 S76 V77	K5-Q8 HydrophobicContact CB-CG 4.14Å; K5-Q8 WeakPolarHBondContact O-CB 3.4Å; K5-Q8 WeakPolarHBondContact O-CG 3.39Å; K5-Q8 PolarHBondContact O-N 3.36Å; P6-Q8 PolarHBondContact O-N 3.43Å; P6-Q8 VanDerWaalsContact O-N 3.1Å; Q8-S76 PolarHBondContact O-N 2.84Å; Q8-V77 HydrophobicContact CB-CG2 4.47Å; Q8-V77 WeakPolarHBondContact O-CG2 3.19Å; Q8-V77 PolarHBondContact O-N 2.96Å
9	T	93	Very high	86.7	Confident	71 Å²	71	72.4 Å²	72.4	44%	0.436	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-95.4	124.7	168.5	-65.9	0	0	0	0	109.4	Q73 L74 N75	T9-Q73 HydrophobicContact CG2-CG 3.35Å; T9-L74 WeakPolarHBondContact CA-O 3.41Å; T9-N75 WeakPolarHBondContact CG2-OD1 3.01Å; T9-N75 PolarHBondContact OG1-OD1 2.82Å
10	L	93.3	Very high	86.9	Confident	22 Å²	22	71.3 Å²	71.3	12%	0.115	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	129.8	169.7	174.1	66.9	0	0	0	109	L12 Q73 L74 V77 Y85 V106	L10-L12 HydrophobicContact CD1-CD2 4.1Å; L10-L12 HydrophobicContact CD1-CG 4.27Å; L10-L12 HydrophobicContact CD2-CD1 4.04Å; L10-L12 HydrophobicContact CD2-CG 4.22Å; L10-L12 HydrophobicContact CG-CD1 4.41Å; L10-L12 HydrophobicContact CG-CD2 4.41Å; L10-L12 HydrophobicContact CG-CG 4.05Å; L10-Q73 CarbonylContact O-C 3.48Å; L10-Q73 WeakPolarHBondContact O-CA 3.45Å; L10-L74 HydrophobicContact CB-CB 4.38Å; L10-L74 PolarHBondContact N-O 3.22Å; L10-L74 PolarHBondContact O-N 3.08Å; L10-V77 HydrophobicContact CB-CG1 3.77Å; L10-Y85 HydrophobicContact CD2-CE2 4.17Å; L10-V106 HydrophobicContact CD1-CG1 4.08Å; L10-V106 HydrophobicContact CD1-CG2 4.06Å; L10-V106 HydrophobicContact CD2-CB 4.4Å; L10-V106 HydrophobicContact CD2-CG1 4.02Å; L10-V106 HydrophobicContact CD2-CG2 4.1Å
11	S	94.8	Very high	87.2	Confident	80 Å²	80	67.9 Å²	67.9	56%	0.559	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.4	124.4	172.3	-172.7	0	0	0	0	109.4	L72	S11-L72 CarbonylContact C-O 3.43Å; S11-L72 WeakPolarHBondContact CA-O 3.42Å
12	L	95.8	Very high	88.8	Confident	10 Å²	10	63.8 Å²	63.8	5%	0.052	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	139.9	180	-65.6	172.7	0	0	0	109.7	L10 W28 Y71 L72 Y85 T104 V106	L10-L12 HydrophobicContact CD1-CD2 4.1Å; L10-L12 HydrophobicContact CD1-CG 4.27Å; L10-L12 HydrophobicContact CD2-CD1 4.04Å; L10-L12 HydrophobicContact CD2-CG 4.22Å; L10-L12 HydrophobicContact CG-CD1 4.41Å; L10-L12 HydrophobicContact CG-CD2 4.41Å; L10-L12 HydrophobicContact CG-CG 4.05Å; L12-W28 HydrophobicContact CB-CH2 3.67Å; L12-W28 HydrophobicContact CB-CZ2 4.34Å; L12-W28 HydrophobicContact CB-CZ3 4.02Å; L12-W28 HydrophobicContact CD1-CZ3 4.17Å; L12-Y71 CarbonylContact O-C 3.6Å; L12-Y71 WeakPolarHBondContact O-CA 3.45Å; L12-L72 HydrophobicContact CB-CB 4.37Å; L12-L72 HydrophobicContact CD1-CD2 4.16Å; L12-L72 PolarHBondContact N-O 2.84Å; L12-L72 PolarHBondContact O-N 3.01Å; L12-Y85 VanDerWaalsContact CD1-CB 3.42Å; L12-Y85 HydrophobicContact CD1-CD1 3.58Å; L12-Y85 HydrophobicContact CD1-CD2 3.99Å; L12-Y85 HydrophobicContact CD1-CE1 4.33Å; L12-Y85 HydrophobicContact CD1-CG 3.38Å; L12-T104 HydrophobicContact CD2-CG2 3.88Å; L12-V106 HydrophobicContact CD2-CG2 4.21Å
13	T	96.1	Very high	89.4	Confident	71 Å²	71	65.1 Å²	65.1	44%	0.436	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	131.9	178.8	-57.2	0	0	0	0	109.4	Q69 Y71	T13-Q69 HydrophobicContact CG2-CB 4.44Å; T13-Q69 HydrophobicContact CG2-CG 4.16Å; T13-Y71 HydrophobicContact CG2-CD1 3.8Å; T13-Y71 HydrophobicContact CG2-CE1 3.48Å; T13-Y71 VanDerWaalsContact CG2-CE1 3.48Å; T13-Y71 WeakPolarHBondContact OG1-CD1 3.26Å
14	C	94.9	Very high	90	Very high	9 Å²	9	58.8 Å²	58.8	6%	0.061	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	120.4	164.9	-176.7	0	0	0	0	109	W28 Q69 Y70 C87	C14-W28 HydrophobicContact CB-CH2 4.03Å; C14-W28 HydrophobicContact CB-CZ2 3.94Å; C14-Q69 WeakPolarHBondContact O-CA 3.27Å; C14-Y70 HydrophobicContact CB-CD1 3.95Å; C14-Y70 HydrophobicContact CB-CD2 4.38Å; C14-Y70 HydrophobicContact CB-CE1 3.52Å; C14-Y70 HydrophobicContact CB-CE2 3.98Å; C14-Y70 HydrophobicContact CB-CG 4.38Å; C14-Y70 PolarHBondContact N-O 3.46Å; C14-Y70 PolarHBondContact O-N 2.87Å; C14-Y70 WeakPolarHBondContact SG-CE1 3.48Å; C14-Y70 PolarHBondContact SG-OH 2.78Å; C14-Y70 VanDerWaalsContact SG-OH 3.39Å; C14-C87 HydrophobicContact CB-CB 3.38Å; C14-C87 WeakPolarHBondContact CB-SG 3.39Å; C14-C87 WeakPolarHBondContact SG-CB 3.11Å; C14-C87 CovalentContact SG-SG 2.05Å; C14-C87 PolarHBondContact SG-SG 3.01Å
15	S	94.8	Very high	90.6	Very high	72 Å²	72	60.7 Å²	60.7	50%	0.503	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	123.6	173.4	-57	0	0	0	0	109	Q69	S15-Q69 WeakPolarHBondContact OG-CG 3.1Å; S15-Q69 PolarHBondContact OG-NE2 2.84Å
16	V	91.6	Very high	91.2	Very high	15 Å²	15	54.1 Å²	54.1	9%	0.091	34%	0.337	C	S	.	.			trans	-94	132.5	-179.5	179.5	0	0	0	0	109.3	Y19 I21 W26 N68 Y70	V16-Y19 WeakPolarHBondContact CG1-O 3.2Å; V16-I21 HydrophobicContact CB-CG2 3.9Å; V16-I21 HydrophobicContact CG2-CG2 3.58Å; V16-W26 HydrophobicContact CB-CH2 4.27Å; V16-W26 HydrophobicContact CB-CZ3 4.44Å; V16-W26 HydrophobicContact CG1-CH2 3.43Å; V16-W26 VanDerWaalsContact CG1-CH2 3.43Å; V16-W26 HydrophobicContact CG1-CZ2 4.11Å; V16-W26 HydrophobicContact CG1-CZ3 3.93Å; V16-W26 HydrophobicContact CG2-CD2 4.42Å; V16-W26 HydrophobicContact CG2-CE3 3.91Å; V16-W26 HydrophobicContact CG2-CH2 3.82Å; V16-W26 HydrophobicContact CG2-CZ2 4.37Å; V16-W26 HydrophobicContact CG2-CZ3 3.57Å; V16-N68 PolarHBondContact N-O 3.15Å; V16-N68 PolarHBondContact O-ND2 3.29Å; V16-Y70 HydrophobicContact CG2-CD1 4.1Å; V16-Y70 HydrophobicContact CG2-CE1 3.68Å
17	T	89.4	Confident	91.6	Very high	107 Å²	107	51.9 Å²	51.9	66%	0.656	32%	0.322	S	S	*	.			trans	-121.1	143.4	174.2	53.3	0	0	0	0	109.2	Y19	T17-Y19 PolarHBondContact O-N 2.96Å
18	G	86.9	Confident	92.1	Very high	78 Å²	78	47.2 Å²	47.2	80%	0.804	29%	0.289	S	S	*	.	S	Bend	trans	77.6	-10	179.7	0	0	0	0	0	116.1
19	Y	86.5	Confident	92.3	Very high	118 Å²	118	43 Å²	43	46%	0.463	27%	0.27	S	S	.	.	S	Bend	trans	-138	161.7	176.8	-61.9	-72.8	0	0	0	111.1	V16 T17 N68 R89	V16-Y19 WeakPolarHBondContact CG1-O 3.2Å; T17-Y19 PolarHBondContact O-N 2.96Å; Y19-N68 PolarHBondContact O-ND2 3.17Å; Y19-R89 VanDerWaalsContact CZ-NH1 3.33Å
20	S	90.4	Very high	92.4	Very high	50 Å²	50	40.2 Å²	40.2	35%	0.35	25%	0.251	S	S	.	.			trans	-95.8	136.4	174	-178.6	0	0	0	0	110.9	T22 S23 W26 N68	S20-T22 PolarHBondContact O-N 3.36Å; S20-T22 PolarHBondContact OG-N 2.96Å; S20-T22 PolarHBondContact OG-OG1 3.19Å; S20-S23 PolarHBondContact O-N 3.32Å; S20-S23 VanDerWaalsContact O-N 3.14Å; S20-S23 PolarHBondContact O-OG 3.38Å; S20-W26 WeakPolarHBondContact O-CZ2 3.45Å; S20-N68 WeakPolarHBondContact CA-OD1 3.46Å
21	I	91.8	Very high	92.6	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-8.8	173.2	66.5	171.3	0	0	0	113.6	V16 W26 R63 D64 T65 N68 Q69 Y70	V16-I21 HydrophobicContact CB-CG2 3.9Å; V16-I21 HydrophobicContact CG2-CG2 3.58Å; I21-W26 HydrophobicContact CG2-CZ2 4.45Å; I21-W26 PolarHBondContact O-NE1 2.69Å; I21-R63 HydrophobicContact CD1-CB 3.95Å; I21-D64 WeakPolarHBondContact CD1-O 3.35Å; I21-T65 HydrophobicContact CD1-CG2 4.07Å; I21-T65 HydrophobicContact CG1-CG2 4.22Å; I21-N68 WeakPolarHBondContact CG2-OD1 3.41Å; I21-N68 PolarHBondContact N-OD1 3.14Å; I21-Q69 WeakPolarHBondContact CD1-O 3.42Å; I21-Y70 HydrophobicContact CG2-CD1 4.21Å
22	T	92.1	Very high	92.6	Very high	67 Å²	67	40.2 Å²	40.2	41%	0.411	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	12.4	177.9	68.9	0	0	0	0	113.5	S20 Y45 T65	S20-T22 PolarHBondContact O-N 3.36Å; S20-T22 PolarHBondContact OG-N 2.96Å; S20-T22 PolarHBondContact OG-OG1 3.19Å; T22-Y45 WeakPolarHBondContact O-CB 3.49Å; T22-T65 HydrophobicContact CG2-CG2 3.46Å; T22-T65 VanDerWaalsContact CG2-CG2 3.46Å
23	S	88.3	Confident	92.3	Very high	60 Å²	60	44.7 Å²	44.7	42%	0.42	27%	0.27	S	S	.	.	S	Bend	trans	-103.5	-20.7	175.1	58.3	0	0	0	0	114.3	S20	S20-S23 PolarHBondContact O-N 3.32Å; S20-S23 VanDerWaalsContact O-N 3.14Å; S20-S23 PolarHBondContact O-OG 3.38Å
24	D	89	Confident	92.1	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.021	29%	0.286	C	S	.	.	S	Bend	trans	-144.2	-178.3	-162.1	-71.6	-63.7	0	0	0	113.5	W26 S44 Y45 R89 Y91	D24-W26 HydrophobicContact CB-CZ2 4.18Å; D24-W26 PolarHBondContact O-NE1 3.06Å; D24-S44 CarbonylContact O-C 3.58Å; D24-Y45 PolarHBondContact O-N 2.67Å; D24-R89 HydrophobicContact CB-CG 3.83Å; D24-R89 IonicContact OD2-NH1 3.64Å; D24-Y91 WeakPolarHBondContact OD1-CD2 3.47Å
25	Y	91.5	Very high	91.8	Very high	52 Å²	52	50 Å²	50	20%	0.204	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	132.5	167.1	-60.2	-98.5	0	0	0	110.7	N27 Y42 Y45 R90	Y25-N27 PolarHBondContact O-ND2 2.86Å; Y25-Y42 AromaticContact CD1-CD2 3.82Å; Y25-Y42 HydrophobicContact CD1-CD2 3.82Å; Y25-Y42 AromaticContact CD1-CE2 3.74Å; Y25-Y42 HydrophobicContact CD1-CE2 3.74Å; Y25-Y42 HydrophobicContact CD1-CG 4.33Å; Y25-Y42 HydrophobicContact CE1-CE2 4.02Å; Y25-Y45 HydrophobicContact CE2-CE1 4.44Å; Y25-R90 WeakPolarHBondContact CB-O 3.33Å; Y25-R90 PolarHBondContact N-O 2.94Å; Y25-R90 PolarHBondContact O-N 2.7Å
26	W	93.3	Very high	91.8	Very high	3 Å²	3	53.4 Å²	53.4	1%	0.011	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	120.1	-177.5	-60.4	94	0	0	0	110.2	V16 S20 I21 D24 Y42 I43 Y70 R89	V16-W26 HydrophobicContact CB-CH2 4.27Å; V16-W26 HydrophobicContact CB-CZ3 4.44Å; V16-W26 HydrophobicContact CG1-CH2 3.43Å; V16-W26 VanDerWaalsContact CG1-CH2 3.43Å; V16-W26 HydrophobicContact CG1-CZ2 4.11Å; V16-W26 HydrophobicContact CG1-CZ3 3.93Å; V16-W26 HydrophobicContact CG2-CD2 4.42Å; V16-W26 HydrophobicContact CG2-CE3 3.91Å; V16-W26 HydrophobicContact CG2-CH2 3.82Å; V16-W26 HydrophobicContact CG2-CZ2 4.37Å; V16-W26 HydrophobicContact CG2-CZ3 3.57Å; S20-W26 WeakPolarHBondContact O-CZ2 3.45Å; I21-W26 HydrophobicContact CG2-CZ2 4.45Å; I21-W26 PolarHBondContact O-NE1 2.69Å; D24-W26 HydrophobicContact CB-CZ2 4.18Å; D24-W26 PolarHBondContact O-NE1 3.06Å; W26-Y42 CarbonylContact O-C 3.5Å; W26-Y42 WeakPolarHBondContact O-CA 3.34Å; W26-Y42 WeakPolarHBondContact O-CB 3.47Å; W26-I43 HydrophobicContact CB-CG2 4.1Å; W26-I43 PolarHBondContact N-O 2.75Å; W26-I43 PolarHBondContact O-N 2.7Å; W26-Y70 HydrophobicContact CB-CD1 4.1Å; W26-Y70 HydrophobicContact CB-CD2 4Å; W26-Y70 HydrophobicContact CB-CE1 3.88Å; W26-Y70 HydrophobicContact CB-CE2 3.79Å; W26-Y70 HydrophobicContact CB-CG 4.14Å; W26-Y70 HydrophobicContact CD2-CD1 4.47Å; W26-Y70 AromaticContact CD2-CE1 3.98Å; W26-Y70 HydrophobicContact CD2-CE1 3.98Å; W26-Y70 AromaticContact CE3-CE1 3.67Å; W26-Y70 HydrophobicContact CE3-CE1 3.67Å; W26-Y70 AromaticContact CE3-CZ 3.97Å; W26-Y70 HydrophobicContact CG-CD1 4.27Å; W26-Y70 HydrophobicContact CG-CE1 4.08Å; W26-R89 HydrophobicContact CE3-CB 4.05Å; W26-R89 HydrophobicContact CE3-CG 4.13Å; W26-R89 HydrophobicContact CH2-CB 4.07Å; W26-R89 HydrophobicContact CH2-CG 3.65Å; W26-R89 HydrophobicContact CZ2-CG 4.04Å; W26-R89 HydrophobicContact CZ3-CB 3.62Å; W26-R89 HydrophobicContact CZ3-CG 3.69Å
27	N	94.4	Very high	91.8	Very high	3 Å²	3	57.3 Å²	57.3	2%	0.016	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	148.8	-163.1	-57.7	-95.8	0	0	0	110.5	Y25 Y39 G41 Y42 C87 A88 R90 M97	Y25-N27 PolarHBondContact O-ND2 2.86Å; N27-Y39 HydrophobicContact CB-CE2 4.13Å; N27-Y39 PolarHBondContact OD1-OH 3.49Å; N27-G41 WeakPolarHBondContact CA-O 3.34Å; N27-Y42 WeakPolarHBondContact OD1-CB 3.36Å; N27-C87 CarbonylContact O-C 3.48Å; N27-C87 WeakPolarHBondContact O-CA 3.43Å; N27-A88 HydrophobicContact CB-CB 4.39Å; N27-A88 WeakPolarHBondContact CB-O 3.5Å; N27-A88 PolarHBondContact N-O 3.07Å; N27-A88 PolarHBondContact ND2-O 2.82Å; N27-A88 VanDerWaalsContact ND2-O 3.09Å; N27-A88 PolarHBondContact O-N 2.83Å; N27-R90 WeakPolarHBondContact ND2-CB 3.39Å; N27-M97 HydrophobicContact CB-CE 3.16Å
28	W	95.6	Very high	92.1	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.015	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.7	169.5	-76.7	100.9	0	0	0	110.6	L12 C14 M40 G41 Y70 L72 Y86 C87	L12-W28 HydrophobicContact CB-CH2 3.67Å; L12-W28 HydrophobicContact CB-CZ2 4.34Å; L12-W28 HydrophobicContact CB-CZ3 4.02Å; L12-W28 HydrophobicContact CD1-CZ3 4.17Å; C14-W28 HydrophobicContact CB-CH2 4.03Å; C14-W28 HydrophobicContact CB-CZ2 3.94Å; W28-M40 HydrophobicContact CB-CB 4.06Å; W28-M40 HydrophobicContact CB-SD 4.49Å; W28-M40 WeakPolarHBondContact O-CB 3.46Å; W28-M40 PolarHBondContact O-N 3.44Å; W28-G41 PolarHBondContact N-O 2.81Å; W28-Y70 AromaticContact CD1-CE2 3.98Å; W28-Y70 HydrophobicContact CD2-CE2 4.45Å; W28-Y70 AromaticContact CE2-CD2 3.91Å; W28-Y70 AromaticContact CE2-CE2 3.74Å; W28-Y70 HydrophobicContact CZ2-CD2 4.21Å; W28-Y70 HydrophobicContact CZ2-CE2 4.12Å; W28-Y70 AromaticContact NE1-CD2 3.31Å; W28-Y70 VanDerWaalsContact NE1-CD2 3.31Å; W28-Y70 AromaticContact NE1-CE2 3.42Å; W28-L72 HydrophobicContact CB-CD2 4.14Å; W28-L72 HydrophobicContact CD2-CB 3.63Å; W28-L72 HydrophobicContact CD2-CD2 3.83Å; W28-L72 HydrophobicContact CD2-CG 4.32Å; W28-L72 VanDerWaalsContact CE2-CB 3.41Å; W28-L72 HydrophobicContact CE3-CB 4.21Å; W28-L72 HydrophobicContact CE3-CD2 3.89Å; W28-L72 HydrophobicContact CG-CB 3.91Å; W28-L72 HydrophobicContact CG-CD2 3.96Å; W28-L72 HydrophobicContact CG-CG 4.36Å; W28-L72 HydrophobicContact CH2-CB 4.39Å; W28-L72 HydrophobicContact CZ2-CB 3.83Å; W28-Y86 WeakPolarHBondContact CA-O 3.33Å; W28-C87 HydrophobicContact CE3-CB 4.26Å; W28-C87 HydrophobicContact CH2-CB 4.13Å; W28-C87 HydrophobicContact CZ2-CB 4.42Å; W28-C87 HydrophobicContact CZ3-CB 4.05Å
29	I	95.3	Very high	92.5	Very high	7 Å²	7	54 Å²	54	4%	0.036	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	139.6	-178.8	-53.6	158.1	0	0	0	106.9	L37 E38 Y39 Y85 Y86 A88 M97 W100	I29-L37 HydrophobicContact CG2-CB 4.45Å; I29-L37 HydrophobicContact CG2-CD2 4.03Å; I29-E38 WeakPolarHBondContact CA-O 3.41Å; I29-Y39 HydrophobicContact CG1-CD2 4.21Å; I29-Y85 CarbonylContact O-C 3.54Å; I29-Y86 PolarHBondContact N-O 3.14Å; I29-Y86 PolarHBondContact O-N 2.86Å; I29-A88 HydrophobicContact CD1-CB 3.91Å; I29-M97 HydrophobicContact CD1-CE 3.6Å; I29-M97 HydrophobicContact CD1-SD 3.36Å; I29-M97 WeakPolarHBondContact CD1-SD 3.37Å; I29-M97 HydrophobicContact CG1-CE 4.28Å; I29-M97 HydrophobicContact CG1-SD 4.44Å; I29-W100 HydrophobicContact CB-CH2 4.25Å; I29-W100 HydrophobicContact CB-CZ3 4.2Å; I29-W100 HydrophobicContact CD1-CE3 4.33Å; I29-W100 HydrophobicContact CD1-CH2 3.18Å; I29-W100 HydrophobicContact CD1-CZ2 3.49Å; I29-W100 VanDerWaalsContact CD1-CZ2 3.49Å; I29-W100 HydrophobicContact CD1-CZ3 3.64Å; I29-W100 HydrophobicContact CG1-CH2 4.28Å; I29-W100 HydrophobicContact CG2-CH2 3.97Å; I29-W100 HydrophobicContact CG2-CZ3 4.16Å
30	R	95.5	Very high	92.9	Very high	11 Å²	11	48.3 Å²	48.3	4%	0.042	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	142.6	171.6	65.1	-177.4	179.5	171	7.1	111.3	F32 L37 E38 M40 D81 A83 T84 Y85	R30-F32 HydrophobicContact CG-CE2 4.33Å; R30-F32 HydrophobicContact CG-CZ 4.15Å; R30-L37 CarbonylContact O-C 3.59Å; R30-L37 WeakPolarHBondContact O-CA 3.48Å; R30-E38 HydrophobicContact CG-CB 4.13Å; R30-E38 IonicContact CZ-OE2 2.7Å; R30-E38 PolarHBondContact N-O 2.86Å; R30-E38 IonicContact NE-OE2 2.75Å; R30-E38 PolarHBondContact NE-OE2 2.91Å; R30-E38 IonicContact NH2-OE2 3.62Å; R30-E38 PolarHBondContact NH2-OE2 2.66Å; R30-E38 PolarHBondContact O-N 3.15Å; R30-M40 HydrophobicContact CB-SD 4.01Å; R30-M40 HydrophobicContact CG-CG 4.16Å; R30-M40 HydrophobicContact CG-SD 3.99Å; R30-D81 IonicContact CZ-OD1 3.08Å; R30-D81 IonicContact NH1-OD1 2.69Å; R30-D81 PolarHBondContact NH1-OD1 2.89Å; R30-D81 IonicContact NH2-OD1 2.67Å; R30-A83 HydrophobicContact CB-CB 3.94Å; R30-A83 HydrophobicContact CG-CB 4.43Å; R30-T84 CarbonylContact C-O 3.46Å; R30-T84 WeakPolarHBondContact CA-O 3.37Å; R30-Y85 HydrophobicContact CB-CD1 3.84Å; R30-Y85 HydrophobicContact CB-CE1 3.88Å; R30-Y85 HydrophobicContact CB-CG 4.29Å; R30-Y85 HydrophobicContact CG-CE1 4.47Å; R30-Y85 PolarHBondContact NH1-OH 3.05Å
31	K	95.9	Very high	93.1	Very high	63 Å²	63	46 Å²	46	27%	0.274	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	116.8	178.3	-168.7	178.6	175.6	-175.2	0	109.2	N35 K36 L37 A83 T84 Y86	K31-N35 WeakPolarHBondContact CE-OD1 3.32Å; K31-N35 PolarHBondContact NZ-OD1 3.46Å; K31-K36 WeakPolarHBondContact CA-O 3.42Å; K31-L37 HydrophobicContact CB-CD2 3.62Å; K31-L37 HydrophobicContact CD-CD2 4.11Å; K31-L37 HydrophobicContact CG-CD2 3.7Å; K31-A83 WeakPolarHBondContact O-CA 3.36Å; K31-A83 WeakPolarHBondContact O-CB 3.35Å; K31-T84 PolarHBondContact N-O 3Å; K31-T84 PolarHBondContact O-N 2.91Å; K31-Y86 HydrophobicContact CB-CD2 4.22Å; K31-Y86 HydrophobicContact CB-CE2 3.59Å; K31-Y86 HydrophobicContact CD-CE2 4.2Å
32	F	95.4	Very high	93.3	Very high	39 Å²	39	47.9 Å²	47.9	17%	0.171	26%	0.26	C	S	.	.			trans	-78.2	160.5	177.5	-63.2	-74.5	0	0	0	111.7	R30 G34 N35 K36 E38 E80 A83	R30-F32 HydrophobicContact CG-CE2 4.33Å; R30-F32 HydrophobicContact CG-CZ 4.15Å; F32-G34 PolarHBondContact O-N 3.02Å; F32-N35 PolarHBondContact O-N 2.91Å; F32-N35 VanDerWaalsContact O-N 3.08Å; F32-K36 HydrophobicContact CB-CB 4.45Å; F32-K36 HydrophobicContact CD2-CB 4.32Å; F32-K36 HydrophobicContact CD2-CD 4.46Å; F32-K36 HydrophobicContact CD2-CG 4.38Å; F32-K36 PolarHBondContact N-O 2.73Å; F32-E38 HydrophobicContact CE2-CB 3.75Å; F32-E38 HydrophobicContact CZ-CB 4.49Å; F32-E80 VanDerWaalsContact CE1-O 3.27Å; F32-E80 WeakPolarHBondContact CE1-O 3.49Å; F32-A83 HydrophobicContact CD1-CB 4.01Å; F32-A83 HydrophobicContact CE1-CB 4.22Å
33	P	90.6	Very high	93.5	Very high	105 Å²	105	45 Å²	45	68%	0.682	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.3	133.1	159.8	-24.2	34.5	0	0	0	110.1
34	G	91.7	Very high	93.7	Very high	75 Å²	75	42.2 Å²	42.2	77%	0.773	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.4	11.1	-172.4	0	0	0	0	0	115.2	F32 K36	F32-G34 PolarHBondContact O-N 3.02Å; G34-K36 VanDerWaalsContact C-N 3.26Å; G34-K36 PolarHBondContact O-N 3.25Å
35	N	88.3	Confident	93.8	Very high	115 Å²	115	47.7 Å²	47.7	62%	0.615	24%	0.244	S	C	*	.	S	Bend	trans	67.1	11.4	172.5	-59.3	-59.5	0	0	0	116.5	K31 F32 L37	K31-N35 WeakPolarHBondContact CE-OD1 3.32Å; K31-N35 PolarHBondContact NZ-OD1 3.46Å; F32-N35 PolarHBondContact O-N 2.91Å; F32-N35 VanDerWaalsContact O-N 3.08Å; N35-L37 PolarHBondContact O-N 3.44Å
36	K	93.4	Very high	93.8	Very high	145 Å²	145	48.4 Å²	48.4	63%	0.63	26%	0.257	S	S	*	.			trans	-68.9	127.7	171.3	-175.3	-178.4	178.2	-174.2	0	110.1	K31 F32 G34	K31-K36 WeakPolarHBondContact CA-O 3.42Å; F32-K36 HydrophobicContact CB-CB 4.45Å; F32-K36 HydrophobicContact CD2-CB 4.32Å; F32-K36 HydrophobicContact CD2-CD 4.46Å; F32-K36 HydrophobicContact CD2-CG 4.38Å; F32-K36 PolarHBondContact N-O 2.73Å; G34-K36 VanDerWaalsContact C-N 3.26Å; G34-K36 PolarHBondContact O-N 3.25Å
37	L	93.3	Very high	93.8	Very high	96 Å²	96	49.7 Å²	49.7	50%	0.503	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	142.8	174.3	-67.5	170.5	0	0	0	110.6	I29 R30 K31 N35 W100	I29-L37 HydrophobicContact CG2-CB 4.45Å; I29-L37 HydrophobicContact CG2-CD2 4.03Å; R30-L37 CarbonylContact O-C 3.59Å; R30-L37 WeakPolarHBondContact O-CA 3.48Å; K31-L37 HydrophobicContact CB-CD2 3.62Å; K31-L37 HydrophobicContact CD-CD2 4.11Å; K31-L37 HydrophobicContact CG-CD2 3.7Å; N35-L37 PolarHBondContact O-N 3.44Å; L37-W100 HydrophobicContact CD1-CH2 4.48Å
38	E	95	Very high	93.8	Very high	42 Å²	42	52.9 Å²	52.9	20%	0.196	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	123.4	170	-178.8	176	-123	0	0	109.9	I29 R30 F32	I29-E38 WeakPolarHBondContact CA-O 3.41Å; R30-E38 HydrophobicContact CG-CB 4.13Å; R30-E38 IonicContact CZ-OE2 2.7Å; R30-E38 PolarHBondContact N-O 2.86Å; R30-E38 IonicContact NE-OE2 2.75Å; R30-E38 PolarHBondContact NE-OE2 2.91Å; R30-E38 IonicContact NH2-OE2 3.62Å; R30-E38 PolarHBondContact NH2-OE2 2.66Å; R30-E38 PolarHBondContact O-N 3.15Å; F32-E38 HydrophobicContact CE2-CB 3.75Å; F32-E38 HydrophobicContact CZ-CB 4.49Å
39	Y	94.4	Very high	93.9	Very high	73 Å²	73	55.5 Å²	55.5	29%	0.286	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	129.4	173.9	178.1	-105.5	0	0	0	110	N27 I29 G41 Y42 Y50 N52	N27-Y39 HydrophobicContact CB-CE2 4.13Å; N27-Y39 PolarHBondContact OD1-OH 3.49Å; I29-Y39 HydrophobicContact CG1-CD2 4.21Å; Y39-G41 WeakPolarHBondContact OH-CA 3.42Å; Y39-G41 PolarHBondContact OH-O 2.89Å; Y39-Y42 WeakPolarHBondContact OH-CB 3.48Å; Y39-Y42 WeakPolarHBondContact OH-CD1 3.29Å; Y39-Y42 PolarHBondContact OH-N 2.89Å; Y39-Y50 AromaticContact CE1-CD1 3.88Å; Y39-Y50 HydrophobicContact CE1-CD1 3.88Å; Y39-Y50 AromaticContact CE1-CE1 3.89Å; Y39-Y50 HydrophobicContact CE1-CE1 3.89Å; Y39-N52 WeakPolarHBondContact O-CB 3.09Å; Y39-N52 PolarHBondContact O-ND2 2.85Å
40	M	95.9	Very high	93.8	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-40	-176.6	-57.1	-174.7	70.3	0	0	112.2	W28 R30 N52 L55 I59 L72 Y85	W28-M40 HydrophobicContact CB-CB 4.06Å; W28-M40 HydrophobicContact CB-SD 4.49Å; W28-M40 WeakPolarHBondContact O-CB 3.46Å; W28-M40 PolarHBondContact O-N 3.44Å; R30-M40 HydrophobicContact CB-SD 4.01Å; R30-M40 HydrophobicContact CG-CG 4.16Å; R30-M40 HydrophobicContact CG-SD 3.99Å; M40-N52 WeakPolarHBondContact O-CB 3.33Å; M40-N52 PolarHBondContact O-N 3.11Å; M40-L55 HydrophobicContact CB-CD1 4.18Å; M40-L55 HydrophobicContact CE-CD1 4.16Å; M40-L55 HydrophobicContact CG-CD1 3.95Å; M40-I59 HydrophobicContact CB-CD1 4.44Å; M40-I59 HydrophobicContact CE-CG2 3.91Å; M40-I59 WeakPolarHBondContact O-CD1 3.44Å; M40-L72 HydrophobicContact CE-CD1 4.21Å; M40-L72 HydrophobicContact CE-CD2 3.65Å; M40-L72 HydrophobicContact CE-CG 4.48Å; M40-L72 HydrophobicContact SD-CD2 3.67Å; M40-Y85 HydrophobicContact CE-CD1 4.45Å; M40-Y85 HydrophobicContact CE-CE1 3.92Å; M40-Y85 HydrophobicContact SD-CD1 3.72Å; M40-Y85 HydrophobicContact SD-CE1 3.67Å
41	G	95.4	Very high	93.9	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.2	178.6	-176.2	0	0	0	0	0	112.8	N27 W28 Y39 Y50	N27-G41 WeakPolarHBondContact CA-O 3.34Å; W28-G41 PolarHBondContact N-O 2.81Å; Y39-G41 WeakPolarHBondContact OH-CA 3.42Å; Y39-G41 PolarHBondContact OH-O 2.89Å; G41-Y50 CarbonylContact C-O 3.6Å; G41-Y50 WeakPolarHBondContact CA-O 3.42Å
42	Y	95.2	Very high	93.8	Very high	41 Å²	41	59.8 Å²	59.8	16%	0.161	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	163.4	175.5	71.4	-115	0	0	0	112.3	Y25 W26 N27 Y39 T49 Y50	Y25-Y42 AromaticContact CD1-CD2 3.82Å; Y25-Y42 HydrophobicContact CD1-CD2 3.82Å; Y25-Y42 AromaticContact CD1-CE2 3.74Å; Y25-Y42 HydrophobicContact CD1-CE2 3.74Å; Y25-Y42 HydrophobicContact CD1-CG 4.33Å; Y25-Y42 HydrophobicContact CE1-CE2 4.02Å; W26-Y42 CarbonylContact O-C 3.5Å; W26-Y42 WeakPolarHBondContact O-CA 3.34Å; W26-Y42 WeakPolarHBondContact O-CB 3.47Å; N27-Y42 WeakPolarHBondContact OD1-CB 3.36Å; Y39-Y42 WeakPolarHBondContact OH-CB 3.48Å; Y39-Y42 WeakPolarHBondContact OH-CD1 3.29Å; Y39-Y42 PolarHBondContact OH-N 2.89Å; Y42-T49 VanDerWaalsContact O-CA 3.3Å; Y42-T49 WeakPolarHBondContact O-CA 3.37Å; Y42-Y50 HydrophobicContact CD1-CG 4.49Å; Y42-Y50 HydrophobicContact CE1-CD1 4.41Å; Y42-Y50 HydrophobicContact CE1-CG 4.02Å; Y42-Y50 VanDerWaalsContact CZ-CB 3.46Å; Y42-Y50 PolarHBondContact N-O 3.29Å; Y42-Y50 PolarHBondContact O-N 2.82Å
43	I	95.5	Very high	93.8	Very high	6 Å²	6	62.4 Å²	62.4	3%	0.031	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	129.6	158.6	-170.2	161.2	0	0	0	109.7	W26 S48 T49 I61 R63 Y70	W26-I43 HydrophobicContact CB-CG2 4.1Å; W26-I43 PolarHBondContact N-O 2.75Å; W26-I43 PolarHBondContact O-N 2.7Å; I43-S48 CarbonylContact C-O 3.55Å; I43-S48 WeakPolarHBondContact CA-O 3.11Å; I43-T49 HydrophobicContact CB-CG2 4.07Å; I43-T49 HydrophobicContact CD1-CG2 3.97Å; I43-T49 HydrophobicContact CG1-CG2 3.89Å; I43-I61 HydrophobicContact CB-CG2 3.72Å; I43-I61 HydrophobicContact CG2-CG2 3.75Å; I43-R63 HydrophobicContact CD1-CB 3.98Å; I43-R63 HydrophobicContact CD1-CG 3.78Å; I43-Y70 HydrophobicContact CG2-CD2 4.46Å
44	S	93.6	Very high	93.9	Very high	2 Å²	2	62 Å²	62	1%	0.014	35%	0.347	C	S	.	.			trans	-82.4	170.2	-179.4	70.2	0	0	0	0	112.1	D24 S46 G47 S48 R63	D24-S44 CarbonylContact O-C 3.58Å; S44-S46 PolarHBondContact O-N 3.48Å; S44-S46 PolarHBondContact OG-N 3.32Å; S44-S46 PolarHBondContact OG-OG 2.89Å; S44-G47 WeakPolarHBondContact O-CA 3.33Å; S44-G47 PolarHBondContact O-N 2.63Å; S44-G47 PolarHBondContact OG-N 3.05Å; S44-S48 PolarHBondContact N-O 2.87Å; S44-S48 WeakPolarHBondContact OG-CB 3.42Å; S44-S48 PolarHBondContact OG-N 2.87Å; S44-S48 PolarHBondContact OG-O 3Å; S44-R63 PolarHBondContact O-NH1 3.34Å
45	Y	90.9	Very high	94	Very high	119 Å²	119	58.6 Å²	58.6	47%	0.467	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-26.1	170.7	68.6	-91.6	0	0	0	113.9	T22 D24 Y25 R63	T22-Y45 WeakPolarHBondContact O-CB 3.49Å; D24-Y45 PolarHBondContact O-N 2.67Å; Y25-Y45 HydrophobicContact CE2-CE1 4.44Å; Y45-R63 VanDerWaalsContact O-CZ 3.28Å; Y45-R63 PolarHBondContact O-NH1 2.9Å; Y45-R63 PolarHBondContact O-NH2 2.97Å
46	S	92.1	Very high	94.2	Very high	68 Å²	68	59.9 Å²	59.9	48%	0.476	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-11	173.3	60.9	0	0	0	0	113.3	S44 S48 R63	S44-S46 PolarHBondContact O-N 3.48Å; S44-S46 PolarHBondContact OG-N 3.32Å; S44-S46 PolarHBondContact OG-OG 2.89Å; S46-S48 PolarHBondContact OG-OG 3.1Å; S46-R63 PolarHBondContact O-NH2 2.86Å
47	G	93.4	Very high	94.3	Very high	29 Å²	29	58.4 Å²	58.4	30%	0.299	32%	0.32	S	S	.	.			trans	91.3	3	-177.1	0	0	0	0	0	113.7	S44 R63	S44-G47 WeakPolarHBondContact O-CA 3.33Å; S44-G47 PolarHBondContact O-N 2.63Å; S44-G47 PolarHBondContact OG-N 3.05Å; G47-R63 VanDerWaalsContact CA-CZ 3.5Å; G47-R63 VanDerWaalsContact N-CZ 3.34Å; G47-R63 VanDerWaalsContact N-NH2 3.17Å
48	S	94.3	Very high	94.4	Very high	71 Å²	71	56.4 Å²	56.4	50%	0.497	31%	0.306	S	S	.	.			trans	-66.5	137.7	172.1	-55	0	0	0	0	110.1	I43 S44 S46	I43-S48 CarbonylContact C-O 3.55Å; I43-S48 WeakPolarHBondContact CA-O 3.11Å; S44-S48 PolarHBondContact N-O 2.87Å; S44-S48 WeakPolarHBondContact OG-CB 3.42Å; S44-S48 PolarHBondContact OG-N 2.87Å; S44-S48 PolarHBondContact OG-O 3Å; S46-S48 PolarHBondContact OG-OG 3.1Å
49	T	95.9	Very high	94.5	Very high	58 Å²	58	55 Å²	55	36%	0.356	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	145.5	-178.1	48.8	0	0	0	0	111.4	Y42 I43 Y51 I61	Y42-T49 VanDerWaalsContact O-CA 3.3Å; Y42-T49 WeakPolarHBondContact O-CA 3.37Å; I43-T49 HydrophobicContact CB-CG2 4.07Å; I43-T49 HydrophobicContact CD1-CG2 3.97Å; I43-T49 HydrophobicContact CG1-CG2 3.89Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.1Å; T49-Y51 PolarHBondContact OG1-OH 2.9Å; T49-I61 HydrophobicContact CG2-CB 4.43Å
50	Y	95.1	Very high	94.6	Very high	94 Å²	94	53.2 Å²	53.2	37%	0.369	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	139.7	166.1	176.4	-88.4	0	0	0	108.7	Y39 G41 Y42	Y39-Y50 AromaticContact CE1-CD1 3.88Å; Y39-Y50 HydrophobicContact CE1-CD1 3.88Å; Y39-Y50 AromaticContact CE1-CE1 3.89Å; Y39-Y50 HydrophobicContact CE1-CE1 3.89Å; G41-Y50 CarbonylContact C-O 3.6Å; G41-Y50 WeakPolarHBondContact CA-O 3.42Å; Y42-Y50 HydrophobicContact CD1-CG 4.49Å; Y42-Y50 HydrophobicContact CE1-CD1 4.41Å; Y42-Y50 HydrophobicContact CE1-CG 4.02Å; Y42-Y50 VanDerWaalsContact CZ-CB 3.46Å; Y42-Y50 PolarHBondContact N-O 3.29Å; Y42-Y50 PolarHBondContact O-N 2.82Å
51	Y	96	Very high	94.7	Very high	48 Å²	48	53.5 Å²	53.5	19%	0.188	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	139.6	-179.2	-57.8	-67.9	0	0	0	109.7	T49 P53 K56 I59 I61	T49-Y51 WeakPolarHBondContact OG1-CE2 3.1Å; T49-Y51 PolarHBondContact OG1-OH 2.9Å; Y51-P53 WeakPolarHBondContact O-CD 3.5Å; Y51-K56 HydrophobicContact CD2-CG 4.28Å; Y51-K56 HydrophobicContact CG-CG 4.4Å; Y51-I59 HydrophobicContact CD1-CD1 3.54Å; Y51-I59 HydrophobicContact CD1-CG1 3.54Å; Y51-I59 HydrophobicContact CE1-CD1 4.45Å; Y51-I59 HydrophobicContact CE1-CG1 4.16Å; Y51-I59 HydrophobicContact CG-CD1 4.25Å; Y51-I59 HydrophobicContact CG-CG1 4.25Å; Y51-I61 HydrophobicContact CD1-CD1 4.19Å; Y51-I61 HydrophobicContact CD1-CG1 4.46Å; Y51-I61 HydrophobicContact CE1-CB 4.15Å; Y51-I61 HydrophobicContact CE1-CD1 4.07Å; Y51-I61 HydrophobicContact CE1-CG1 3.93Å
52	N	95.1	Very high	94.7	Very high	29 Å²	29	56.7 Å²	56.7	16%	0.155	32%	0.318	C	S	.	.			trans	-58.2	125.5	166.3	-179.6	-28	0	0	0	108.9	Y39 M40 S54 L55 K56	Y39-N52 WeakPolarHBondContact O-CB 3.09Å; Y39-N52 PolarHBondContact O-ND2 2.85Å; M40-N52 WeakPolarHBondContact O-CB 3.33Å; M40-N52 PolarHBondContact O-N 3.11Å; N52-S54 PolarHBondContact O-N 2.05Å; N52-S54 VanDerWaalsContact O-N 3.11Å; N52-S54 PolarHBondContact OD1-N 2.81Å; N52-L55 HydrophobicContact CB-CB 4.45Å; N52-L55 HydrophobicContact CB-CD1 4.41Å; N52-L55 PolarHBondContact O-N 2.81Å; N52-K56 PolarHBondContact O-N 2.94Å
53	P	94.9	Very high	94.8	Very high	95 Å²	95	58.1 Å²	58.1	62%	0.617	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-37.3	-178.8	-29.5	35.8	0	0	0	114.3	Y51 L55	Y51-P53 WeakPolarHBondContact O-CD 3.5Å; P53-L55 PolarHBondContact O-N 3.47Å
54	S	92.6	Very high	94.8	Very high	95 Å²	95	59.7 Å²	59.7	66%	0.664	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-20.1	179.5	-58.9	0	0	0	0	113.7	N52	N52-S54 PolarHBondContact O-N 2.05Å; N52-S54 VanDerWaalsContact O-N 3.11Å; N52-S54 PolarHBondContact OD1-N 2.81Å
55	L	94	Very high	94.8	Very high	4 Å²	4	63.3 Å²	63.3	2%	0.021	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-12.5	-175.6	-63.9	175.3	0	0	0	113.2	M40 N52 P53 S57 R58 I59	M40-L55 HydrophobicContact CB-CD1 4.18Å; M40-L55 HydrophobicContact CE-CD1 4.16Å; M40-L55 HydrophobicContact CG-CD1 3.95Å; N52-L55 HydrophobicContact CB-CB 4.45Å; N52-L55 HydrophobicContact CB-CD1 4.41Å; N52-L55 PolarHBondContact O-N 2.81Å; P53-L55 PolarHBondContact O-N 3.47Å; L55-S57 PolarHBondContact O-N 3.2Å; L55-R58 PolarHBondContact O-N 2.94Å; L55-I59 HydrophobicContact CB-CD1 3.83Å; L55-I59 HydrophobicContact CB-CG1 4.2Å; L55-I59 HydrophobicContact CB-CG2 3.97Å; L55-I59 WeakPolarHBondContact O-CG1 3.4Å; L55-I59 PolarHBondContact O-N 2.79Å
56	K	93.2	Very high	95	Very high	142 Å²	142	62.5 Å²	62.5	62%	0.617	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-31.2	-170.1	-174.8	175.2	-178.5	-178.3	0	114.8	Y51 N52 R58	Y51-K56 HydrophobicContact CD2-CG 4.28Å; Y51-K56 HydrophobicContact CG-CG 4.4Å; N52-K56 PolarHBondContact O-N 2.94Å; K56-R58 VanDerWaalsContact C-N 3.35Å
57	S	95.1	Very high	95.2	Very high	114 Å²	114	65.3 Å²	65.3	80%	0.797	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-18	178.4	58	0	0	0	0	114.1	L55	L55-S57 PolarHBondContact O-N 3.2Å
58	R	95.5	Very high	95.3	Very high	55 Å²	55	65.7 Å²	65.7	21%	0.208	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-21.6	-174.1	-56.8	-163.1	-62.1	136.1	-0.4	113.5	L55 K56 L74 N75 S76 D81	L55-R58 PolarHBondContact O-N 2.94Å; K56-R58 VanDerWaalsContact C-N 3.35Å; R58-L74 HydrophobicContact CB-CD1 3.89Å; R58-N75 PolarHBondContact O-N 2.85Å; R58-S76 PolarHBondContact NH1-O 3.09Å; R58-D81 IonicContact CZ-OD1 3.2Å; R58-D81 IonicContact CZ-OD2 3.48Å; R58-D81 IonicContact NH1-OD1 3.83Å; R58-D81 PolarHBondContact NH1-OD1 2.88Å; R58-D81 IonicContact NH1-OD2 2.87Å; R58-D81 PolarHBondContact NH1-OD2 3.04Å; R58-D81 IonicContact NH2-OD1 3.65Å; R58-D81 PolarHBondContact NH2-OD1 2.85Å; R58-D81 IonicContact NH2-OD2 3.66Å
59	I	96.1	Very high	95.3	Very high	11 Å²	11	64.3 Å²	64.3	6%	0.056	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	145.6	-175.3	68.4	177.2	0	0	0	112.9	M40 Y51 L55 L72 Q73 L74	M40-I59 HydrophobicContact CB-CD1 4.44Å; M40-I59 HydrophobicContact CE-CG2 3.91Å; M40-I59 WeakPolarHBondContact O-CD1 3.44Å; Y51-I59 HydrophobicContact CD1-CD1 3.54Å; Y51-I59 HydrophobicContact CD1-CG1 3.54Å; Y51-I59 HydrophobicContact CE1-CD1 4.45Å; Y51-I59 HydrophobicContact CE1-CG1 4.16Å; Y51-I59 HydrophobicContact CG-CD1 4.25Å; Y51-I59 HydrophobicContact CG-CG1 4.25Å; L55-I59 HydrophobicContact CB-CD1 3.83Å; L55-I59 HydrophobicContact CB-CG1 4.2Å; L55-I59 HydrophobicContact CB-CG2 3.97Å; L55-I59 WeakPolarHBondContact O-CG1 3.4Å; L55-I59 PolarHBondContact O-N 2.79Å; I59-L72 HydrophobicContact CB-CD1 4.14Å; I59-L72 HydrophobicContact CG2-CD1 4.32Å; I59-Q73 CarbonylContact C-O 3.58Å; I59-Q73 VanDerWaalsContact CA-O 3.27Å; I59-Q73 WeakPolarHBondContact CA-O 3.35Å; I59-L74 HydrophobicContact CG2-CD1 3.55Å
60	S	96.9	Very high	95.3	Very high	37 Å²	37	61.6 Å²	61.6	26%	0.259	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	132.8	168.1	178.7	0	0	0	0	108.8	Q73	S60-Q73 PolarHBondContact N-O 3.39Å; S60-Q73 PolarHBondContact O-N 3.19Å
61	I	97.4	Very high	95.4	Very high	5 Å²	5	59 Å²	59	3%	0.026	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	126.4	178.6	-59.1	168.7	0	0	0	108	I43 T49 Y51 Y71 L72	I43-I61 HydrophobicContact CB-CG2 3.72Å; I43-I61 HydrophobicContact CG2-CG2 3.75Å; T49-I61 HydrophobicContact CG2-CB 4.43Å; Y51-I61 HydrophobicContact CD1-CD1 4.19Å; Y51-I61 HydrophobicContact CD1-CG1 4.46Å; Y51-I61 HydrophobicContact CE1-CB 4.15Å; Y51-I61 HydrophobicContact CE1-CD1 4.07Å; Y51-I61 HydrophobicContact CE1-CG1 3.93Å; I61-Y71 WeakPolarHBondContact CA-O 3.05Å; I61-L72 HydrophobicContact CG1-CD1 3.95Å
62	T	96.8	Very high	95.5	Very high	67 Å²	67	56.8 Å²	56.8	41%	0.411	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	169.6	-178	63.9	0	0	0	0	111	Y70 Y71	T62-Y70 CarbonylContact O-C 3.54Å; T62-Y70 VanDerWaalsContact O-CA 3.31Å; T62-Y70 WeakPolarHBondContact O-CA 3.01Å; T62-Y70 WeakPolarHBondContact O-CB 3.38Å; T62-Y71 PolarHBondContact N-O 3.06Å; T62-Y71 PolarHBondContact O-N 2.89Å
63	R	95.9	Very high	95.6	Very high	72 Å²	72	59.3 Å²	59.3	27%	0.272	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	151.9	178.8	68.1	-178.7	-176.5	168.8	4.7	112.9	I21 I43 S44 Y45 S46 G47 Q69	I21-R63 HydrophobicContact CD1-CB 3.95Å; I43-R63 HydrophobicContact CD1-CB 3.98Å; I43-R63 HydrophobicContact CD1-CG 3.78Å; S44-R63 PolarHBondContact O-NH1 3.34Å; Y45-R63 VanDerWaalsContact O-CZ 3.28Å; Y45-R63 PolarHBondContact O-NH1 2.9Å; Y45-R63 PolarHBondContact O-NH2 2.97Å; S46-R63 PolarHBondContact O-NH2 2.86Å; G47-R63 VanDerWaalsContact CA-CZ 3.5Å; G47-R63 VanDerWaalsContact N-CZ 3.34Å; G47-R63 VanDerWaalsContact N-NH2 3.17Å; R63-Q69 WeakPolarHBondContact CA-O 3.38Å
64	D	95.8	Very high	95.6	Very high	38 Å²	38	54.9 Å²	54.9	20%	0.203	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	101.1	170.3	-175.9	-15.5	0	0	0	108.2	I21 S66 K67 N68 Q69 Y71	I21-D64 WeakPolarHBondContact CD1-O 3.35Å; D64-S66 VanDerWaalsContact C-N 3.26Å; D64-S66 PolarHBondContact O-N 3.36Å; D64-S66 WeakPolarHBondContact OD1-CB 3.4Å; D64-S66 PolarHBondContact OD1-N 3.1Å; D64-S66 PolarHBondContact OD1-OG 2.9Å; D64-K67 HydrophobicContact CB-CB 4.4Å; D64-K67 PolarHBondContact O-N 3.49Å; D64-K67 PolarHBondContact OD1-N 3.24Å; D64-K67 WeakPolarHBondContact OD2-CD 3.26Å; D64-K67 WeakPolarHBondContact OD2-CE 3.21Å; D64-K67 WeakPolarHBondContact OD2-CG 3.34Å; D64-K67 IonicContact OD2-NZ 3.7Å; D64-K67 PolarHBondContact OD2-NZ 3.49Å; D64-N68 PolarHBondContact O-N 2.84Å; D64-N68 VanDerWaalsContact O-N 3.09Å; D64-Q69 PolarHBondContact N-O 2.94Å; D64-Q69 PolarHBondContact O-N 2.88Å; D64-Y71 HydrophobicContact CB-CE2 3.74Å
65	T	94.5	Very high	95.7	Very high	79 Å²	79	52.8 Å²	52.8	49%	0.485	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-24.9	-178.4	54.7	0	0	0	0	112.3	I21 T22 K67 N68	I21-T65 HydrophobicContact CD1-CG2 4.07Å; I21-T65 HydrophobicContact CG1-CG2 4.22Å; T22-T65 HydrophobicContact CG2-CG2 3.46Å; T22-T65 VanDerWaalsContact CG2-CG2 3.46Å; T65-K67 VanDerWaalsContact C-N 3.25Å; T65-K67 PolarHBondContact O-N 2.86Å; T65-N68 PolarHBondContact O-N 3.05Å
66	S	94.9	Very high	95.7	Very high	102 Å²	102	56 Å²	56	71%	0.713	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-28.2	176.7	76.4	0	0	0	0	112.2	D64	D64-S66 VanDerWaalsContact C-N 3.26Å; D64-S66 PolarHBondContact O-N 3.36Å; D64-S66 WeakPolarHBondContact OD1-CB 3.4Å; D64-S66 PolarHBondContact OD1-N 3.1Å; D64-S66 PolarHBondContact OD1-OG 2.9Å
67	K	95.8	Very high	95.8	Very high	126 Å²	126	49.3 Å²	49.3	55%	0.548	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-2.9	179.3	-62.7	-179.2	-167.1	154.5	0	113.7	D64 T65 Q69	D64-K67 HydrophobicContact CB-CB 4.4Å; D64-K67 PolarHBondContact O-N 3.49Å; D64-K67 PolarHBondContact OD1-N 3.24Å; D64-K67 WeakPolarHBondContact OD2-CD 3.26Å; D64-K67 WeakPolarHBondContact OD2-CE 3.21Å; D64-K67 WeakPolarHBondContact OD2-CG 3.34Å; D64-K67 IonicContact OD2-NZ 3.7Å; D64-K67 PolarHBondContact OD2-NZ 3.49Å; T65-K67 VanDerWaalsContact C-N 3.25Å; T65-K67 PolarHBondContact O-N 2.86Å; K67-Q69 HydrophobicContact CB-CB 4.19Å; K67-Q69 HydrophobicContact CB-CG 4.12Å; K67-Q69 PolarHBondContact O-N 3.43Å
68	N	95.1	Very high	95.7	Very high	37 Å²	37	46.4 Å²	46.4	20%	0.198	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	42.4	-172.7	-155.7	40.7	0	0	0	112.6	V16 Y19 S20 I21 D64 T65	V16-N68 PolarHBondContact N-O 3.15Å; V16-N68 PolarHBondContact O-ND2 3.29Å; Y19-N68 PolarHBondContact O-ND2 3.17Å; S20-N68 WeakPolarHBondContact CA-OD1 3.46Å; I21-N68 WeakPolarHBondContact CG2-OD1 3.41Å; I21-N68 PolarHBondContact N-OD1 3.14Å; D64-N68 PolarHBondContact O-N 2.84Å; D64-N68 VanDerWaalsContact O-N 3.09Å; T65-N68 PolarHBondContact O-N 3.05Å
69	Q	96.1	Very high	95.6	Very high	42 Å²	42	47.8 Å²	47.8	20%	0.196	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	149.8	-175.1	-78.8	173.7	-5.3	0	0	111.8	T13 C14 S15 I21 R63 D64 K67 Y71	T13-Q69 HydrophobicContact CG2-CB 4.44Å; T13-Q69 HydrophobicContact CG2-CG 4.16Å; C14-Q69 WeakPolarHBondContact O-CA 3.27Å; S15-Q69 WeakPolarHBondContact OG-CG 3.1Å; S15-Q69 PolarHBondContact OG-NE2 2.84Å; I21-Q69 WeakPolarHBondContact CD1-O 3.42Å; R63-Q69 WeakPolarHBondContact CA-O 3.38Å; D64-Q69 PolarHBondContact N-O 2.94Å; D64-Q69 PolarHBondContact O-N 2.88Å; K67-Q69 HydrophobicContact CB-CB 4.19Å; K67-Q69 HydrophobicContact CB-CG 4.12Å; K67-Q69 PolarHBondContact O-N 3.43Å; Q69-Y71 HydrophobicContact CB-CE1 4.2Å; Q69-Y71 HydrophobicContact CB-CE2 4.25Å; Q69-Y71 WeakPolarHBondContact CB-OH 3.44Å; Q69-Y71 PolarHBondContact OE1-OH 3.19Å
70	Y	95.8	Very high	95.4	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.008	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	153.1	167.4	66.4	-77.5	0	0	0	110.7	C14 V16 I21 W26 W28 I43 T62 C87 A88	C14-Y70 HydrophobicContact CB-CD1 3.95Å; C14-Y70 HydrophobicContact CB-CD2 4.38Å; C14-Y70 HydrophobicContact CB-CE1 3.52Å; C14-Y70 HydrophobicContact CB-CE2 3.98Å; C14-Y70 HydrophobicContact CB-CG 4.38Å; C14-Y70 PolarHBondContact N-O 3.46Å; C14-Y70 PolarHBondContact O-N 2.87Å; C14-Y70 WeakPolarHBondContact SG-CE1 3.48Å; C14-Y70 PolarHBondContact SG-OH 2.78Å; C14-Y70 VanDerWaalsContact SG-OH 3.39Å; V16-Y70 HydrophobicContact CG2-CD1 4.1Å; V16-Y70 HydrophobicContact CG2-CE1 3.68Å; I21-Y70 HydrophobicContact CG2-CD1 4.21Å; W26-Y70 HydrophobicContact CB-CD1 4.1Å; W26-Y70 HydrophobicContact CB-CD2 4Å; W26-Y70 HydrophobicContact CB-CE1 3.88Å; W26-Y70 HydrophobicContact CB-CE2 3.79Å; W26-Y70 HydrophobicContact CB-CG 4.14Å; W26-Y70 HydrophobicContact CD2-CD1 4.47Å; W26-Y70 AromaticContact CD2-CE1 3.98Å; W26-Y70 HydrophobicContact CD2-CE1 3.98Å; W26-Y70 AromaticContact CE3-CE1 3.67Å; W26-Y70 HydrophobicContact CE3-CE1 3.67Å; W26-Y70 AromaticContact CE3-CZ 3.97Å; W26-Y70 HydrophobicContact CG-CD1 4.27Å; W26-Y70 HydrophobicContact CG-CE1 4.08Å; W28-Y70 AromaticContact CD1-CE2 3.98Å; W28-Y70 HydrophobicContact CD2-CE2 4.45Å; W28-Y70 AromaticContact CE2-CD2 3.91Å; W28-Y70 AromaticContact CE2-CE2 3.74Å; W28-Y70 HydrophobicContact CZ2-CD2 4.21Å; W28-Y70 HydrophobicContact CZ2-CE2 4.12Å; W28-Y70 AromaticContact NE1-CD2 3.31Å; W28-Y70 VanDerWaalsContact NE1-CD2 3.31Å; W28-Y70 AromaticContact NE1-CE2 3.42Å; I43-Y70 HydrophobicContact CG2-CD2 4.46Å; T62-Y70 CarbonylContact O-C 3.54Å; T62-Y70 VanDerWaalsContact O-CA 3.31Å; T62-Y70 WeakPolarHBondContact O-CA 3.01Å; T62-Y70 WeakPolarHBondContact O-CB 3.38Å; Y70-C87 HydrophobicContact CE2-CB 4.07Å; Y70-C87 WeakPolarHBondContact OH-CB 3.48Å; Y70-A88 PolarHBondContact OH-N 2.83Å
71	Y	96.7	Very high	95.3	Very high	39 Å²	39	52.7 Å²	52.7	15%	0.153	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	148	-165.5	-46.9	-85.3	0	0	0	110.8	L12 T13 I61 T62 D64 Q69	L12-Y71 CarbonylContact O-C 3.6Å; L12-Y71 WeakPolarHBondContact O-CA 3.45Å; T13-Y71 HydrophobicContact CG2-CD1 3.8Å; T13-Y71 HydrophobicContact CG2-CE1 3.48Å; T13-Y71 VanDerWaalsContact CG2-CE1 3.48Å; T13-Y71 WeakPolarHBondContact OG1-CD1 3.26Å; I61-Y71 WeakPolarHBondContact CA-O 3.05Å; T62-Y71 PolarHBondContact N-O 3.06Å; T62-Y71 PolarHBondContact O-N 2.89Å; D64-Y71 HydrophobicContact CB-CE2 3.74Å; Q69-Y71 HydrophobicContact CB-CE1 4.2Å; Q69-Y71 HydrophobicContact CB-CE2 4.25Å; Q69-Y71 WeakPolarHBondContact CB-OH 3.44Å; Q69-Y71 PolarHBondContact OE1-OH 3.19Å
72	L	97.5	Very high	95.2	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	122.8	168.7	170	69.1	0	0	0	108.3	S11 L12 W28 M40 I59 I61 Y85	S11-L72 CarbonylContact C-O 3.43Å; S11-L72 WeakPolarHBondContact CA-O 3.42Å; L12-L72 HydrophobicContact CB-CB 4.37Å; L12-L72 HydrophobicContact CD1-CD2 4.16Å; L12-L72 PolarHBondContact N-O 2.84Å; L12-L72 PolarHBondContact O-N 3.01Å; W28-L72 HydrophobicContact CB-CD2 4.14Å; W28-L72 HydrophobicContact CD2-CB 3.63Å; W28-L72 HydrophobicContact CD2-CD2 3.83Å; W28-L72 HydrophobicContact CD2-CG 4.32Å; W28-L72 VanDerWaalsContact CE2-CB 3.41Å; W28-L72 HydrophobicContact CE3-CB 4.21Å; W28-L72 HydrophobicContact CE3-CD2 3.89Å; W28-L72 HydrophobicContact CG-CB 3.91Å; W28-L72 HydrophobicContact CG-CD2 3.96Å; W28-L72 HydrophobicContact CG-CG 4.36Å; W28-L72 HydrophobicContact CH2-CB 4.39Å; W28-L72 HydrophobicContact CZ2-CB 3.83Å; M40-L72 HydrophobicContact CE-CD1 4.21Å; M40-L72 HydrophobicContact CE-CD2 3.65Å; M40-L72 HydrophobicContact CE-CG 4.48Å; M40-L72 HydrophobicContact SD-CD2 3.67Å; I59-L72 HydrophobicContact CB-CD1 4.14Å; I59-L72 HydrophobicContact CG2-CD1 4.32Å; I61-L72 HydrophobicContact CG1-CD1 3.95Å; L72-Y85 HydrophobicContact CD2-CD1 4.03Å; L72-Y85 HydrophobicContact CD2-CE1 4.41Å
73	Q	96.7	Very high	95.1	Very high	83 Å²	83	51.2 Å²	51.2	39%	0.388	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	125.7	168.9	-168.3	176.9	26	0	0	108.4	T9 L10 I59 S60	T9-Q73 HydrophobicContact CG2-CG 3.35Å; L10-Q73 CarbonylContact O-C 3.48Å; L10-Q73 WeakPolarHBondContact O-CA 3.45Å; I59-Q73 CarbonylContact C-O 3.58Å; I59-Q73 VanDerWaalsContact CA-O 3.27Å; I59-Q73 WeakPolarHBondContact CA-O 3.35Å; S60-Q73 PolarHBondContact N-O 3.39Å; S60-Q73 PolarHBondContact O-N 3.19Å
74	L	95.9	Very high	95.2	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	114.2	174.4	174.9	65.5	0	0	0	108.5	T9 L10 R58 I59 V77 D81 Y85	T9-L74 WeakPolarHBondContact CA-O 3.41Å; L10-L74 HydrophobicContact CB-CB 4.38Å; L10-L74 PolarHBondContact N-O 3.22Å; L10-L74 PolarHBondContact O-N 3.08Å; R58-L74 HydrophobicContact CB-CD1 3.89Å; I59-L74 HydrophobicContact CG2-CD1 3.55Å; L74-V77 HydrophobicContact CB-CG1 4.48Å; L74-V77 HydrophobicContact CD2-CG1 3.9Å; L74-V77 HydrophobicContact CG-CG1 3.91Å; L74-D81 HydrophobicContact CD2-CB 3.99Å; L74-Y85 HydrophobicContact CD2-CE1 4.48Å
75	N	95.2	Very high	95.2	Very high	52 Å²	52	47.6 Å²	47.6	28%	0.278	26%	0.262	S	S	.	.			trans	-89.5	151.6	-177.3	-64.4	-42.8	0	0	0	111.7	T9 R58 V77	T9-N75 WeakPolarHBondContact CG2-OD1 3.01Å; T9-N75 PolarHBondContact OG1-OD1 2.82Å; R58-N75 PolarHBondContact O-N 2.85Å; N75-V77 PolarHBondContact O-N 2.9Å
76	S	93.2	Very high	95.3	Very high	71 Å²	71	46 Å²	46	50%	0.497	25%	0.247	S	C	.	.	S	Bend	trans	52.1	57.3	176.5	-54.5	0	0	0	0	111.8	Q8 R58	Q8-S76 PolarHBondContact O-N 2.84Å; R58-S76 PolarHBondContact NH1-O 3.09Å
77	V	94.3	Very high	95.2	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.012	22%	0.218	C	C	.	.			trans	-63.9	143.2	-178.5	-64.4	0	0	0	0	111.6	A4 K5 P6 S7 Q8 L10 L74 N75 D81 V108	A4-V77 HydrophobicContact CB-CG2 4.31Å; K5-V77 WeakPolarHBondContact O-CG2 3.43Å; P6-V77 CarbonylContact C-O 3.52Å; P6-V77 WeakPolarHBondContact CA-O 3.33Å; S7-V77 PolarHBondContact N-O 2.9Å; Q8-V77 HydrophobicContact CB-CG2 4.47Å; Q8-V77 WeakPolarHBondContact O-CG2 3.19Å; Q8-V77 PolarHBondContact O-N 2.96Å; L10-V77 HydrophobicContact CB-CG1 3.77Å; L74-V77 HydrophobicContact CB-CG1 4.48Å; L74-V77 HydrophobicContact CD2-CG1 3.9Å; L74-V77 HydrophobicContact CG-CG1 3.91Å; N75-V77 PolarHBondContact O-N 2.9Å; V77-D81 VanDerWaalsContact CA-OD2 3.29Å; V77-D81 WeakPolarHBondContact CA-OD2 3.09Å; V77-D81 HydrophobicContact CB-CB 4.41Å; V77-V108 HydrophobicContact CB-CG2 4.22Å; V77-V108 HydrophobicContact CG2-CG1 4.08Å; V77-V108 HydrophobicContact CG2-CG2 4.15Å
78	T	93.9	Very high	95.1	Very high	52 Å²	52	35.9 Å²	35.9	32%	0.319	19%	0.192	S	C	.	.			trans	-118.5	171.6	174.2	69.5	0	0	0	0	110.3	E80 D81 V108	T78-E80 PolarHBondContact O-N 2.87Å; T78-E80 WeakPolarHBondContact OG1-CB 3.36Å; T78-E80 PolarHBondContact OG1-N 3.07Å; T78-D81 PolarHBondContact N-OD2 3.33Å; T78-D81 WeakPolarHBondContact O-CB 3.41Å; T78-D81 PolarHBondContact O-N 2.87Å; T78-V108 VanDerWaalsContact O-CB 3.32Å; T78-V108 WeakPolarHBondContact O-CB 3.16Å; T78-V108 WeakPolarHBondContact O-CG1 3.44Å; T78-V108 WeakPolarHBondContact O-CG2 3.17Å
79	T	92.7	Very high	94.9	Very high	85 Å²	85	35.6 Å²	35.6	52%	0.521	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-56.6	-30	173.8	48.8	0	0	0	0	112.3	D81 T82	T79-D81 PolarHBondContact O-N 2.83Å; T79-T82 VanDerWaalsContact O-CB 3.26Å; T79-T82 WeakPolarHBondContact O-CB 3.46Å; T79-T82 PolarHBondContact O-N 3.37Å; T79-T82 VanDerWaalsContact O-N 3.17Å; T79-T82 PolarHBondContact O-OG1 2.77Å
80	E	92	Very high	94.2	Very high	149 Å²	149	36.3 Å²	36.3	70%	0.696	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-66.2	-20.7	175.7	-57.5	177	172.1	0	0	113	F32 T78 T82	F32-E80 VanDerWaalsContact CE1-O 3.27Å; F32-E80 WeakPolarHBondContact CE1-O 3.49Å; T78-E80 PolarHBondContact O-N 2.87Å; T78-E80 WeakPolarHBondContact OG1-CB 3.36Å; T78-E80 PolarHBondContact OG1-N 3.07Å; E80-T82 PolarHBondContact O-N 2.76Å
81	D	94.3	Very high	92.7	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-82.2	4.8	176.4	-60.9	-50.9	0	0	0	112.7	R30 R58 L74 V77 T78 T79 A83 Y85	R30-D81 IonicContact CZ-OD1 3.08Å; R30-D81 IonicContact NH1-OD1 2.69Å; R30-D81 PolarHBondContact NH1-OD1 2.89Å; R30-D81 IonicContact NH2-OD1 2.67Å; R58-D81 IonicContact CZ-OD1 3.2Å; R58-D81 IonicContact CZ-OD2 3.48Å; R58-D81 IonicContact NH1-OD1 3.83Å; R58-D81 PolarHBondContact NH1-OD1 2.88Å; R58-D81 IonicContact NH1-OD2 2.87Å; R58-D81 PolarHBondContact NH1-OD2 3.04Å; R58-D81 IonicContact NH2-OD1 3.65Å; R58-D81 PolarHBondContact NH2-OD1 2.85Å; R58-D81 IonicContact NH2-OD2 3.66Å; L74-D81 HydrophobicContact CD2-CB 3.99Å; V77-D81 VanDerWaalsContact CA-OD2 3.29Å; V77-D81 WeakPolarHBondContact CA-OD2 3.09Å; V77-D81 HydrophobicContact CB-CB 4.41Å; T78-D81 PolarHBondContact N-OD2 3.33Å; T78-D81 WeakPolarHBondContact O-CB 3.41Å; T78-D81 PolarHBondContact O-N 2.87Å; T79-D81 PolarHBondContact O-N 2.83Å; D81-A83 PolarHBondContact O-N 3.06Å; D81-A83 VanDerWaalsContact O-N 3.15Å; D81-Y85 PolarHBondContact O-OH 2.73Å
82	T	95.4	Very high	91.1	Very high	37 Å²	37	45.9 Å²	45.9	23%	0.227	23%	0.232	C	C	.	.			trans	-65.7	109.5	171.7	-65.8	0	0	0	0	110.4	T79 E80 V106 T107 V108	T79-T82 VanDerWaalsContact O-CB 3.26Å; T79-T82 WeakPolarHBondContact O-CB 3.46Å; T79-T82 PolarHBondContact O-N 3.37Å; T79-T82 VanDerWaalsContact O-N 3.17Å; T79-T82 PolarHBondContact O-OG1 2.77Å; E80-T82 PolarHBondContact O-N 2.76Å; T82-V106 WeakPolarHBondContact CA-O 3.48Å; T82-T107 HydrophobicContact CG2-CG2 4.43Å; T82-V108 PolarHBondContact OG1-N 3.42Å; T82-V108 PolarHBondContact OG1-O 3.33Å
83	A	96.4	Very high	89.2	Confident	4 Å²	4	52.7 Å²	52.7	3%	0.033	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	168.8	-175.6	0	0	0	0	0	111.2	R30 K31 F32 D81 Y85 V106	R30-A83 HydrophobicContact CB-CB 3.94Å; R30-A83 HydrophobicContact CG-CB 4.43Å; K31-A83 WeakPolarHBondContact O-CA 3.36Å; K31-A83 WeakPolarHBondContact O-CB 3.35Å; F32-A83 HydrophobicContact CD1-CB 4.01Å; F32-A83 HydrophobicContact CE1-CB 4.22Å; D81-A83 PolarHBondContact O-N 3.06Å; D81-A83 VanDerWaalsContact O-N 3.15Å; A83-Y85 HydrophobicContact CB-CD2 4.42Å; A83-Y85 HydrophobicContact CB-CE2 3.9Å; A83-Y85 WeakPolarHBondContact O-CD2 3.14Å; A83-V106 PolarHBondContact N-O 3.19Å; A83-V106 VanDerWaalsContact N-O 3.15Å; A83-V106 PolarHBondContact O-N 2.83Å
84	T	96.8	Very high	87.4	Confident	34 Å²	34	56 Å²	56	21%	0.209	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	123.5	162	-52.6	0	0	0	0	109.4	R30 K31 Y86 T104	R30-T84 CarbonylContact C-O 3.46Å; R30-T84 WeakPolarHBondContact CA-O 3.37Å; K31-T84 PolarHBondContact N-O 3Å; K31-T84 PolarHBondContact O-N 2.91Å; T84-Y86 HydrophobicContact CG2-CD2 4.29Å; T84-Y86 HydrophobicContact CG2-CE1 4.11Å; T84-Y86 HydrophobicContact CG2-CE2 3.48Å; T84-Y86 VanDerWaalsContact CG2-CE2 3.48Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.3Å; T84-Y86 WeakPolarHBondContact O-CD2 3.27Å; T84-Y86 WeakPolarHBondContact O-CE2 3.17Å; T84-T104 WeakPolarHBondContact CA-O 3.35Å
85	Y	96.4	Very high	85.8	Confident	1 Å²	1	59.4 Å²	59.4	0%	0.004	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	123.6	-176.9	-68.2	-101	0	0	0	110.1	L10 L12 I29 R30 M40 L72 L74 D81 A83 G103 T104 V106	L10-Y85 HydrophobicContact CD2-CE2 4.17Å; L12-Y85 VanDerWaalsContact CD1-CB 3.42Å; L12-Y85 HydrophobicContact CD1-CD1 3.58Å; L12-Y85 HydrophobicContact CD1-CD2 3.99Å; L12-Y85 HydrophobicContact CD1-CE1 4.33Å; L12-Y85 HydrophobicContact CD1-CG 3.38Å; I29-Y85 CarbonylContact O-C 3.54Å; R30-Y85 HydrophobicContact CB-CD1 3.84Å; R30-Y85 HydrophobicContact CB-CE1 3.88Å; R30-Y85 HydrophobicContact CB-CG 4.29Å; R30-Y85 HydrophobicContact CG-CE1 4.47Å; R30-Y85 PolarHBondContact NH1-OH 3.05Å; M40-Y85 HydrophobicContact CE-CD1 4.45Å; M40-Y85 HydrophobicContact CE-CE1 3.92Å; M40-Y85 HydrophobicContact SD-CD1 3.72Å; M40-Y85 HydrophobicContact SD-CE1 3.67Å; L72-Y85 HydrophobicContact CD2-CD1 4.03Å; L72-Y85 HydrophobicContact CD2-CE1 4.41Å; L74-Y85 HydrophobicContact CD2-CE1 4.48Å; D81-Y85 PolarHBondContact O-OH 2.73Å; A83-Y85 HydrophobicContact CB-CD2 4.42Å; A83-Y85 HydrophobicContact CB-CE2 3.9Å; A83-Y85 WeakPolarHBondContact O-CD2 3.14Å; Y85-G103 CarbonylContact O-C 3.56Å; Y85-G103 WeakPolarHBondContact O-CA 3.47Å; Y85-T104 PolarHBondContact N-O 3.43Å; Y85-T104 PolarHBondContact O-N 3.29Å; Y85-V106 HydrophobicContact CD2-CB 4.13Å; Y85-V106 HydrophobicContact CD2-CG2 3.93Å; Y85-V106 HydrophobicContact CE2-CB 3.91Å; Y85-V106 HydrophobicContact CE2-CG2 4.14Å
86	Y	95.6	Very high	84.3	Confident	45 Å²	45	60.3 Å²	60.3	18%	0.176	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	146	-178.5	-61.5	-91	0	0	0	110.2	W28 I29 K31 T84 W100 G101	W28-Y86 WeakPolarHBondContact CA-O 3.33Å; I29-Y86 PolarHBondContact N-O 3.14Å; I29-Y86 PolarHBondContact O-N 2.86Å; K31-Y86 HydrophobicContact CB-CD2 4.22Å; K31-Y86 HydrophobicContact CB-CE2 3.59Å; K31-Y86 HydrophobicContact CD-CE2 4.2Å; T84-Y86 HydrophobicContact CG2-CD2 4.29Å; T84-Y86 HydrophobicContact CG2-CE1 4.11Å; T84-Y86 HydrophobicContact CG2-CE2 3.48Å; T84-Y86 VanDerWaalsContact CG2-CE2 3.48Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.3Å; T84-Y86 WeakPolarHBondContact O-CD2 3.27Å; T84-Y86 WeakPolarHBondContact O-CE2 3.17Å; Y86-W100 AromaticContact CD1-CE3 3.97Å; Y86-W100 HydrophobicContact CD1-CE3 3.97Å; Y86-W100 HydrophobicContact CD1-CZ3 4.47Å; Y86-W100 HydrophobicContact CD2-CZ3 4.22Å; Y86-W100 AromaticContact CG-CE3 3.76Å; Y86-W100 HydrophobicContact CG-CE3 3.76Å; Y86-W100 AromaticContact CG-CZ3 3.9Å; Y86-W100 HydrophobicContact CG-CZ3 3.9Å; Y86-G101 WeakPolarHBondContact CD1-O 3.45Å
87	C	94.2	Very high	83.4	Confident	16 Å²	16	59.3 Å²	59.3	11%	0.108	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	132.5	173.7	75.3	0	0	0	0	107.3	C14 N27 W28 Y70 G101	C14-C87 HydrophobicContact CB-CB 3.38Å; C14-C87 WeakPolarHBondContact CB-SG 3.39Å; C14-C87 WeakPolarHBondContact SG-CB 3.11Å; C14-C87 CovalentContact SG-SG 2.05Å; C14-C87 PolarHBondContact SG-SG 3.01Å; N27-C87 CarbonylContact O-C 3.48Å; N27-C87 WeakPolarHBondContact O-CA 3.43Å; W28-C87 HydrophobicContact CE3-CB 4.26Å; W28-C87 HydrophobicContact CH2-CB 4.13Å; W28-C87 HydrophobicContact CZ2-CB 4.42Å; W28-C87 HydrophobicContact CZ3-CB 4.05Å; Y70-C87 HydrophobicContact CE2-CB 4.07Å; Y70-C87 WeakPolarHBondContact OH-CB 3.48Å; C87-G101 PolarHBondContact O-N 3.34Å
88	A	92.6	Very high	82.3	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	144.1	-170	0	0	0	0	0	112.8	N27 I29 Y70 M97 Y99 W100	N27-A88 HydrophobicContact CB-CB 4.39Å; N27-A88 WeakPolarHBondContact CB-O 3.5Å; N27-A88 PolarHBondContact N-O 3.07Å; N27-A88 PolarHBondContact ND2-O 2.82Å; N27-A88 VanDerWaalsContact ND2-O 3.09Å; N27-A88 PolarHBondContact O-N 2.83Å; I29-A88 HydrophobicContact CD1-CB 3.91Å; Y70-A88 PolarHBondContact OH-N 2.83Å; A88-M97 HydrophobicContact CB-CB 4.48Å; A88-M97 HydrophobicContact CB-CE 3.89Å; A88-M97 HydrophobicContact CB-SD 4.29Å; A88-Y99 CarbonylContact C-O 3.54Å; A88-Y99 WeakPolarHBondContact CA-O 3.31Å; A88-Y99 WeakPolarHBondContact CB-O 3.19Å; A88-W100 HydrophobicContact CB-CD2 4.22Å; A88-W100 HydrophobicContact CB-CG 4.35Å
89	R	90.8	Very high	81.5	Confident	30 Å²	30	66.4 Å²	66.4	11%	0.113	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	143.3	177.3	-165.1	-174.5	73.1	169.6	-1.7	110.7	Y19 D24 W26 M97 D98 Y99	Y19-R89 VanDerWaalsContact CZ-NH1 3.33Å; D24-R89 HydrophobicContact CB-CG 3.83Å; D24-R89 IonicContact OD2-NH1 3.64Å; W26-R89 HydrophobicContact CE3-CB 4.05Å; W26-R89 HydrophobicContact CE3-CG 4.13Å; W26-R89 HydrophobicContact CH2-CB 4.07Å; W26-R89 HydrophobicContact CH2-CG 3.65Å; W26-R89 HydrophobicContact CZ2-CG 4.04Å; W26-R89 HydrophobicContact CZ3-CB 3.62Å; W26-R89 HydrophobicContact CZ3-CG 3.69Å; R89-M97 WeakPolarHBondContact O-CA 3.39Å; R89-D98 PolarHBondContact O-N 3.05Å; R89-Y99 PolarHBondContact N-O 3.44Å
90	R	82.3	Confident	81.2	Confident	57 Å²	57	67 Å²	67	22%	0.215	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	132.8	169.8	-174	-180	-152.9	-156.1	-6.1	110.1	Y25 N27 D92 Y93 D95	Y25-R90 WeakPolarHBondContact CB-O 3.33Å; Y25-R90 PolarHBondContact N-O 2.94Å; Y25-R90 PolarHBondContact O-N 2.7Å; N27-R90 WeakPolarHBondContact ND2-CB 3.39Å; R90-D92 VanDerWaalsContact CD-O 3.26Å; R90-D92 WeakPolarHBondContact CD-O 3.46Å; R90-D92 WeakPolarHBondContact CG-O 3.33Å; R90-D92 VanDerWaalsContact CZ-O 3.23Å; R90-D92 PolarHBondContact NE-O 3.44Å; R90-Y93 PolarHBondContact NH1-O 3.01Å; R90-Y93 PolarHBondContact NH2-O 2.94Å; R90-D95 VanDerWaalsContact CZ-O 3.3Å; R90-D95 PolarHBondContact NE-O 2.79Å; R90-D95 PolarHBondContact NH2-O 3.19Å
91	Y	64.8	Low	80.9	Confident	158 Å²	158	60.5 Å²	60.5	62%	0.62	30%	0.296	S	S	*	.	S	Bend	trans	-81.7	-42.7	-179	-167.5	-101.9	0	0	0	111.9	D24	D24-Y91 WeakPolarHBondContact OD1-CD2 3.47Å
92	D	62.5	Low	80.7	Confident	84 Å²	84	69.5 Å²	69.5	45%	0.449	34%	0.337	S	S	.	.	S	Bend	trans	-146.7	167.9	176.6	-159.2	-1.2	0	0	0	113.8	R90 D94 D95	R90-D92 VanDerWaalsContact CD-O 3.26Å; R90-D92 WeakPolarHBondContact CD-O 3.46Å; R90-D92 WeakPolarHBondContact CG-O 3.33Å; R90-D92 VanDerWaalsContact CZ-O 3.23Å; R90-D92 PolarHBondContact NE-O 3.44Å; D92-D94 PolarHBondContact O-N 3.33Å; D92-D94 VanDerWaalsContact O-N 3.14Å; D92-D95 PolarHBondContact O-N 2.9Å; D92-D95 VanDerWaalsContact O-N 3.1Å
93	Y	56.6	Low	80.5	Confident	144 Å²	144	69 Å²	69	57%	0.565	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-12.3	-176.9	-150.2	-90.6	0	0	0	114.6	R90	R90-Y93 PolarHBondContact NH1-O 3.01Å; R90-Y93 PolarHBondContact NH2-O 2.94Å
94	D	59	Low	80.4	Confident	154 Å²	154	71.6 Å²	71.6	82%	0.824	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.7	-6.9	174.7	-80.5	-35.4	0	0	0	113.9	D92	D92-D94 PolarHBondContact O-N 3.33Å; D92-D94 VanDerWaalsContact O-N 3.14Å
95	D	62.1	Low	80.2	Confident	72 Å²	72	72.4 Å²	72.4	39%	0.385	36%	0.362	S	S	.	.	S	Bend	trans	-87.4	152.8	-178.3	-78	-34.8	0	0	0	113.1	R90 D92	R90-D95 VanDerWaalsContact CZ-O 3.3Å; R90-D95 PolarHBondContact NE-O 2.79Å; R90-D95 PolarHBondContact NH2-O 3.19Å; D92-D95 PolarHBondContact O-N 2.9Å; D92-D95 VanDerWaalsContact O-N 3.1Å
96	A	65.1	Low	80.1	Confident	71 Å²	71	72.4 Å²	72.4	59%	0.587	36%	0.363	S	S	*	.			trans	-68	161.7	171.4	0	0	0	0	0	111.5	D98	A96-D98 PolarHBondContact O-N 3.09Å
97	M	74.7	Confident	80	Confident	50 Å²	50	73.2 Å²	73.2	25%	0.246	37%	0.372	C	S	.	.			trans	-83.7	95.6	177.6	-62.6	-180	117.5	0	0	109.9	N27 I29 A88 R89 Y99 W100	N27-M97 HydrophobicContact CB-CE 3.16Å; I29-M97 HydrophobicContact CD1-CE 3.6Å; I29-M97 HydrophobicContact CD1-SD 3.36Å; I29-M97 WeakPolarHBondContact CD1-SD 3.37Å; I29-M97 HydrophobicContact CG1-CE 4.28Å; I29-M97 HydrophobicContact CG1-SD 4.44Å; A88-M97 HydrophobicContact CB-CB 4.48Å; A88-M97 HydrophobicContact CB-CE 3.89Å; A88-M97 HydrophobicContact CB-SD 4.29Å; R89-M97 WeakPolarHBondContact O-CA 3.39Å; M97-Y99 PolarHBondContact O-N 3.3Å; M97-W100 PolarHBondContact O-NE1 3.22Å; M97-W100 HydrophobicContact SD-CZ2 4.12Å
98	D	70.8	Confident	79.8	Confident	101 Å²	101	72.7 Å²	72.7	54%	0.54	37%	0.369	S	S	.	.			trans	-73.5	-25.4	-169.3	-56.6	-29.5	0	0	0	114.3	R89 A96	R89-D98 PolarHBondContact O-N 3.05Å; A96-D98 PolarHBondContact O-N 3.09Å
99	Y	76.5	Confident	79.4	Confident	101 Å²	101	75.2 Å²	75.2	40%	0.396	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	131.3	-176.4	-176.2	-95.8	0	0	0	111.4	A88 R89 M97	A88-Y99 CarbonylContact C-O 3.54Å; A88-Y99 WeakPolarHBondContact CA-O 3.31Å; A88-Y99 WeakPolarHBondContact CB-O 3.19Å; R89-Y99 PolarHBondContact N-O 3.44Å; M97-Y99 PolarHBondContact O-N 3.3Å
100	W	85.6	Confident	78.6	Confident	98 Å²	98	81.4 Å²	81.4	37%	0.371	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	132.3	175.7	-71.3	65.7	0	0	0	109.6	I29 L37 Y86 A88 M97	I29-W100 HydrophobicContact CB-CH2 4.25Å; I29-W100 HydrophobicContact CB-CZ3 4.2Å; I29-W100 HydrophobicContact CD1-CE3 4.33Å; I29-W100 HydrophobicContact CD1-CH2 3.18Å; I29-W100 HydrophobicContact CD1-CZ2 3.49Å; I29-W100 VanDerWaalsContact CD1-CZ2 3.49Å; I29-W100 HydrophobicContact CD1-CZ3 3.64Å; I29-W100 HydrophobicContact CG1-CH2 4.28Å; I29-W100 HydrophobicContact CG2-CH2 3.97Å; I29-W100 HydrophobicContact CG2-CZ3 4.16Å; L37-W100 HydrophobicContact CD1-CH2 4.48Å; Y86-W100 AromaticContact CD1-CE3 3.97Å; Y86-W100 HydrophobicContact CD1-CE3 3.97Å; Y86-W100 HydrophobicContact CD1-CZ3 4.47Å; Y86-W100 HydrophobicContact CD2-CZ3 4.22Å; Y86-W100 AromaticContact CG-CE3 3.76Å; Y86-W100 HydrophobicContact CG-CE3 3.76Å; Y86-W100 AromaticContact CG-CZ3 3.9Å; Y86-W100 HydrophobicContact CG-CZ3 3.9Å; A88-W100 HydrophobicContact CB-CD2 4.22Å; A88-W100 HydrophobicContact CB-CG 4.35Å; M97-W100 PolarHBondContact O-NE1 3.22Å; M97-W100 HydrophobicContact SD-CZ2 4.12Å
101	G	86.8	Confident	78.4	Confident	13 Å²	13	82.7 Å²	82.7	13%	0.134	45%	0.445	C	S	.	.			trans	-65.4	165	166.5	0	0	0	0	0	111.6	Y86 C87 G103	Y86-G101 WeakPolarHBondContact CD1-O 3.45Å; C87-G101 PolarHBondContact O-N 3.34Å; G101-G103 PolarHBondContact O-N 3.36Å
102	Q	89.2	Confident	79.2	Confident	189 Å²	189	78.7 Å²	78.7	88%	0.883	44%	0.436	S	S	*	.			trans	-60.8	-18.9	179.8	-66.3	-63.9	-45.8	0	0	113.8
103	G	91.1	Very high	80.1	Confident	27 Å²	27	78.4 Å²	78.4	28%	0.278	44%	0.435	S	S	.	.			trans	83	149.9	-179.5	0	0	0	0	0	113.1	Y85 G101	Y85-G103 CarbonylContact O-C 3.56Å; Y85-G103 WeakPolarHBondContact O-CA 3.47Å; G101-G103 PolarHBondContact O-N 3.36Å
104	T	94.1	Very high	81.5	Confident	59 Å²	59	74.5 Å²	74.5	36%	0.362	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	111.8	178.4	-60.9	0	0	0	0	109	L12 T84 Y85 V106	L12-T104 HydrophobicContact CD2-CG2 3.88Å; T84-T104 WeakPolarHBondContact CA-O 3.35Å; Y85-T104 PolarHBondContact N-O 3.43Å; Y85-T104 PolarHBondContact O-N 3.29Å; T104-V106 HydrophobicContact CG2-CG2 4.25Å; T104-V106 PolarHBondContact O-N 3.2Å
105	S	94.3	Very high	82.9	Confident	50 Å²	50	69.6 Å²	69.6	35%	0.35	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	126.9	173.8	-172.1	0	0	0	0	110.2	P1 G2	P1-S105 CarbonylContact C-O 3.6Å; P1-S105 WeakPolarHBondContact CA-O 2.86Å; G2-S105 PolarHBondContact N-O 2.82Å
106	V	93.7	Very high	84.3	Confident	2 Å²	2	69.4 Å²	69.4	1%	0.012	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	131.8	174.7	179.5	0	0	0	0	109.1	G2 L10 L12 T82 A83 Y85 T104 V108	G2-V106 WeakPolarHBondContact O-CA 3.44Å; L10-V106 HydrophobicContact CD1-CG1 4.08Å; L10-V106 HydrophobicContact CD1-CG2 4.06Å; L10-V106 HydrophobicContact CD2-CB 4.4Å; L10-V106 HydrophobicContact CD2-CG1 4.02Å; L10-V106 HydrophobicContact CD2-CG2 4.1Å; L12-V106 HydrophobicContact CD2-CG2 4.21Å; T82-V106 WeakPolarHBondContact CA-O 3.48Å; A83-V106 PolarHBondContact N-O 3.19Å; A83-V106 VanDerWaalsContact N-O 3.15Å; A83-V106 PolarHBondContact O-N 2.83Å; Y85-V106 HydrophobicContact CD2-CB 4.13Å; Y85-V106 HydrophobicContact CD2-CG2 3.93Å; Y85-V106 HydrophobicContact CE2-CB 3.91Å; Y85-V106 HydrophobicContact CE2-CG2 4.14Å; T104-V106 HydrophobicContact CG2-CG2 4.25Å; T104-V106 PolarHBondContact O-N 3.2Å; V106-V108 HydrophobicContact CG1-CG2 4.42Å
107	T	93.3	Very high	85.6	Confident	61 Å²	61	69.3 Å²	69.3	37%	0.374	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	127.3	175.6	-56.8	0	0	0	0	108.9	G2 A4 T82	G2-T107 PolarHBondContact O-N 2.58Å; A4-T107 PolarHBondContact N-O 3.03Å; T82-T107 HydrophobicContact CG2-CG2 4.43Å
108	V	89.2	Confident	86.5	Confident	6 Å²	6	70.8 Å²	70.8	4%	0.036	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	117.4	174.8	-172.3	0	0	0	0	108	A4 P6 V77 T78 T82 V106	A4-V108 HydrophobicContact CB-CG2 4.32Å; A4-V108 WeakPolarHBondContact O-CA 3.45Å; P6-V108 HydrophobicContact CG-CG1 4.27Å; V77-V108 HydrophobicContact CB-CG2 4.22Å; V77-V108 HydrophobicContact CG2-CG1 4.08Å; V77-V108 HydrophobicContact CG2-CG2 4.15Å; T78-V108 VanDerWaalsContact O-CB 3.32Å; T78-V108 WeakPolarHBondContact O-CB 3.16Å; T78-V108 WeakPolarHBondContact O-CG1 3.44Å; T78-V108 WeakPolarHBondContact O-CG2 3.17Å; T82-V108 PolarHBondContact OG1-N 3.42Å; T82-V108 PolarHBondContact OG1-O 3.33Å; V106-V108 HydrophobicContact CG1-CG2 4.42Å
109	S	85.8	Confident	87.8	Confident	53 Å²	53	68.3 Å²	68.3	37%	0.371	39%	0.391	S	S	.	.			trans	-135.9	145.1	-178.9	60.7	0	0	0	0	110.9	A4 P6	A4-S109 PolarHBondContact O-N 2.97Å; P6-S109 WeakPolarHBondContact CD-O 3.38Å
110	S	73.9	Confident	88.8	Confident	160 Å²	160	65.3 Å²	65.3	100%	1.119	39%	0.39	S	S	*	.			trans	-71.1	0	174.1	55.7	0	0	0	0	112.7

Retrieved 110 of 110 residues in 24.5 ms (Link to these results)

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