X5J5K3_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5K3, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 108 aa.

						>X5J5K3_MOUSE|X5J5K3
PGLAKPSQTLSLTCSVTGYSITSDYWNWIRKFPGNKLEYMGYISYSGSTYYNPSLKSRISITRDTSKNQYYLQLNSVTTEDTATYYCARLLRYWYFDVWGTGTTVTVS
					

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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	56	Low	80.9	Confident	156 Å²	156	82.2 Å²	82.2	100%	1.013	49%	0.49	S	S	*	.				0	117.4	0	-14.2	31	0	0	0	109.9	T104	P1-T104 CarbonylContact C-O 3.55Å; P1-T104 WeakPolarHBondContact CA-O 2.87Å
2	G	72.6	Confident	82.2	Confident	31 Å²	31	76.5 Å²	76.5	32%	0.32	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	132.5	176.2	0	0	0	0	0	110.5	T104 V105 T106	G2-T104 PolarHBondContact N-O 2.76Å; G2-V105 WeakPolarHBondContact O-CA 3.42Å; G2-T106 PolarHBondContact O-N 3.03Å
3	L	75.1	Confident	83.3	Confident	137 Å²	137	76.2 Å²	76.2	72%	0.717	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.5	122.5	169.5	-173.2	68.8	0	0	0	108.1	T106	L3-T106 WeakPolarHBondContact CA-O 3.35Å; L3-T106 HydrophobicContact CD1-CG2 4.44Å
4	A	77.1	Confident	84.3	Confident	9 Å²	9	71.5 Å²	71.5	7%	0.074	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	144.5	177	0	0	0	0	0	110.1	V77 V105 T106 V107 S108	A4-V77 HydrophobicContact CB-CG2 4.37Å; A4-V105 HydrophobicContact CB-CG1 4.42Å; A4-T106 PolarHBondContact N-O 2.7Å; A4-V107 HydrophobicContact CB-CG2 4.33Å; A4-V107 WeakPolarHBondContact O-CA 3.17Å; A4-S108 PolarHBondContact O-N 2.93Å
5	K	78.8	Confident	85	Confident	142 Å²	142	71.5 Å²	71.5	62%	0.617	43%	0.432	S	S	*	.			trans	-84.9	151.9	171.6	-59.7	-175.4	178.9	-177.9	0	109.7	Q8 V77	K5-Q8 HydrophobicContact CB-CG 4.1Å; K5-Q8 WeakPolarHBondContact O-CB 3.41Å; K5-Q8 WeakPolarHBondContact O-CG 3.38Å; K5-Q8 PolarHBondContact O-N 3.21Å; K5-V77 WeakPolarHBondContact O-CG2 3.32Å
6	P	79.5	Confident	85.6	Confident	59 Å²	59	68.1 Å²	68.1	38%	0.383	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	150.7	173	-25.8	34	0	0	0	112.5	Q8 V77 V107	P6-Q8 PolarHBondContact O-N 3.41Å; P6-Q8 VanDerWaalsContact O-N 3.1Å; P6-V77 WeakPolarHBondContact CA-O 3.46Å; P6-V107 HydrophobicContact CG-CG1 4.18Å
7	S	81.8	Confident	85.9	Confident	101 Å²	101	71.4 Å²	71.4	71%	0.706	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	3.3	-179.8	-52.9	0	0	0	0	115.6	V77	S7-V77 PolarHBondContact N-O 2.91Å
8	Q	88.9	Confident	86.2	Confident	95 Å²	95	71.9 Å²	71.9	44%	0.444	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-80.3	165.6	171.2	-65.4	-171.3	-41.7	0	0	111.6	K5 P6 S76 V77	K5-Q8 HydrophobicContact CB-CG 4.1Å; K5-Q8 WeakPolarHBondContact O-CB 3.41Å; K5-Q8 WeakPolarHBondContact O-CG 3.38Å; K5-Q8 PolarHBondContact O-N 3.21Å; P6-Q8 PolarHBondContact O-N 3.41Å; P6-Q8 VanDerWaalsContact O-N 3.1Å; Q8-S76 PolarHBondContact O-N 3.08Å; Q8-V77 WeakPolarHBondContact O-CG2 3.03Å; Q8-V77 PolarHBondContact O-N 3.38Å; Q8-V77 VanDerWaalsContact O-N 3.09Å
9	T	92.4	Very high	86.3	Confident	73 Å²	73	73.9 Å²	73.9	45%	0.448	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-92.9	122.5	168.3	-64.7	0	0	0	0	109.5	Q73 L74 N75	T9-Q73 HydrophobicContact CG2-CG 3.33Å; T9-L74 WeakPolarHBondContact CA-O 3.43Å; T9-N75 WeakPolarHBondContact CG2-OD1 3.26Å; T9-N75 PolarHBondContact OG1-OD1 2.85Å
10	L	93.3	Very high	86.6	Confident	21 Å²	21	72.5 Å²	72.5	11%	0.11	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	130.2	169.1	173.8	66.3	0	0	0	109.1	L12 Q73 L74 V77 Y85 V105	L10-L12 HydrophobicContact CD1-CD2 4.07Å; L10-L12 HydrophobicContact CD1-CG 4.24Å; L10-L12 HydrophobicContact CD2-CD1 4.09Å; L10-L12 HydrophobicContact CD2-CG 4.23Å; L10-L12 HydrophobicContact CG-CD1 4.46Å; L10-L12 HydrophobicContact CG-CD2 4.43Å; L10-L12 HydrophobicContact CG-CG 4.06Å; L10-Q73 CarbonylContact O-C 3.51Å; L10-Q73 WeakPolarHBondContact O-CA 3.43Å; L10-L74 HydrophobicContact CB-CB 4.38Å; L10-L74 PolarHBondContact N-O 2.85Å; L10-L74 PolarHBondContact O-N 2.99Å; L10-V77 HydrophobicContact CB-CG1 3.75Å; L10-Y85 HydrophobicContact CD2-CE2 4.23Å; L10-V105 HydrophobicContact CD1-CG1 4.08Å; L10-V105 HydrophobicContact CD1-CG2 4.07Å; L10-V105 HydrophobicContact CD2-CB 4.39Å; L10-V105 HydrophobicContact CD2-CG1 4.04Å; L10-V105 HydrophobicContact CD2-CG2 4.1Å
11	S	94.9	Very high	86.9	Confident	80 Å²	80	69.1 Å²	69.1	56%	0.559	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.5	122	172.3	-173.8	0	0	0	0	109.7	L72	S11-L72 CarbonylContact C-O 3.48Å; S11-L72 WeakPolarHBondContact CA-O 3.1Å
12	L	96.3	Very high	88.7	Confident	14 Å²	14	64.7 Å²	64.7	7%	0.073	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	140.7	178.8	-65.1	174.5	0	0	0	109.8	L10 W28 Y71 L72 Y85 T103 V105	L10-L12 HydrophobicContact CD1-CD2 4.07Å; L10-L12 HydrophobicContact CD1-CG 4.24Å; L10-L12 HydrophobicContact CD2-CD1 4.09Å; L10-L12 HydrophobicContact CD2-CG 4.23Å; L10-L12 HydrophobicContact CG-CD1 4.46Å; L10-L12 HydrophobicContact CG-CD2 4.43Å; L10-L12 HydrophobicContact CG-CG 4.06Å; L12-W28 HydrophobicContact CB-CH2 3.69Å; L12-W28 HydrophobicContact CB-CZ2 4.33Å; L12-W28 HydrophobicContact CB-CZ3 4.05Å; L12-W28 HydrophobicContact CD1-CZ3 4.15Å; L12-Y71 CarbonylContact O-C 3.56Å; L12-Y71 WeakPolarHBondContact O-CA 3.42Å; L12-L72 HydrophobicContact CB-CB 4.36Å; L12-L72 HydrophobicContact CD1-CD2 4.2Å; L12-L72 PolarHBondContact N-O 3.42Å; L12-L72 PolarHBondContact O-N 2.84Å; L12-Y85 VanDerWaalsContact CD1-CB 3.41Å; L12-Y85 HydrophobicContact CD1-CD1 3.65Å; L12-Y85 HydrophobicContact CD1-CD2 4.03Å; L12-Y85 HydrophobicContact CD1-CE1 4.43Å; L12-Y85 HydrophobicContact CD1-CG 3.42Å; L12-Y85 VanDerWaalsContact CD1-CG 3.42Å; L12-T103 HydrophobicContact CD2-CG2 4.1Å; L12-V105 HydrophobicContact CD2-CG2 4.22Å
13	T	96.9	Very high	89.4	Confident	73 Å²	73	66.6 Å²	66.6	45%	0.448	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	133.8	177.5	-58.6	0	0	0	0	109.4	Q69 Y71	T13-Q69 HydrophobicContact CG2-CB 4.48Å; T13-Q69 HydrophobicContact CG2-CG 4.18Å; T13-Y71 HydrophobicContact CG2-CD1 3.82Å; T13-Y71 HydrophobicContact CG2-CE1 3.5Å; T13-Y71 VanDerWaalsContact OG1-CD1 3.31Å; T13-Y71 WeakPolarHBondContact OG1-CD1 3.25Å; T13-Y71 WeakPolarHBondContact OG1-CE1 3.5Å
14	C	96.3	Very high	90.2	Very high	10 Å²	10	61.2 Å²	61.2	7%	0.068	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	118.5	165.9	-177.1	0	0	0	0	108.9	W28 Q69 Y70 C87	C14-W28 HydrophobicContact CB-CH2 3.97Å; C14-W28 HydrophobicContact CB-CZ2 3.87Å; C14-Q69 WeakPolarHBondContact O-CA 3.16Å; C14-Y70 HydrophobicContact CB-CD1 3.93Å; C14-Y70 HydrophobicContact CB-CD2 4.43Å; C14-Y70 HydrophobicContact CB-CE1 3.51Å; C14-Y70 HydrophobicContact CB-CE2 4.05Å; C14-Y70 HydrophobicContact CB-CG 4.39Å; C14-Y70 PolarHBondContact N-O 3Å; C14-Y70 PolarHBondContact O-N 2.86Å; C14-Y70 WeakPolarHBondContact SG-CE1 3.22Å; C14-Y70 PolarHBondContact SG-OH 3.02Å; C14-Y70 VanDerWaalsContact SG-OH 3.42Å; C14-C87 HydrophobicContact CB-CB 3.39Å; C14-C87 WeakPolarHBondContact CB-SG 3.49Å; C14-C87 WeakPolarHBondContact SG-CB 3.28Å; C14-C87 CovalentContact SG-SG 2.05Å; C14-C87 PolarHBondContact SG-SG 2.83Å
15	S	95.9	Very high	90.9	Very high	71 Å²	71	63.9 Å²	63.9	50%	0.497	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	120.8	174.3	-57.6	0	0	0	0	109.2	Q69	S15-Q69 WeakPolarHBondContact OG-CG 3.35Å; S15-Q69 PolarHBondContact OG-NE2 3.04Å
16	V	93.7	Very high	91.7	Very high	17 Å²	17	57.5 Å²	57.5	10%	0.103	36%	0.357	C	S	.	.			trans	-91.7	132.3	-179	179.2	0	0	0	0	109.3	Y19 I21 W26 N68 Y70	V16-Y19 WeakPolarHBondContact CG1-O 3.49Å; V16-I21 HydrophobicContact CB-CG2 3.85Å; V16-I21 HydrophobicContact CG1-CG2 4.48Å; V16-I21 HydrophobicContact CG2-CG2 3.56Å; V16-W26 HydrophobicContact CB-CH2 4.3Å; V16-W26 HydrophobicContact CB-CZ3 4.45Å; V16-W26 HydrophobicContact CG1-CH2 3.44Å; V16-W26 VanDerWaalsContact CG1-CH2 3.44Å; V16-W26 HydrophobicContact CG1-CZ2 4.1Å; V16-W26 HydrophobicContact CG1-CZ3 3.93Å; V16-W26 HydrophobicContact CG2-CD2 4.45Å; V16-W26 HydrophobicContact CG2-CE3 3.92Å; V16-W26 HydrophobicContact CG2-CH2 3.87Å; V16-W26 HydrophobicContact CG2-CZ2 4.42Å; V16-W26 HydrophobicContact CG2-CZ3 3.6Å; V16-N68 PolarHBondContact N-O 2.99Å; V16-N68 PolarHBondContact O-ND2 2.82Å; V16-Y70 HydrophobicContact CG2-CD1 4.08Å; V16-Y70 HydrophobicContact CG2-CE1 3.69Å
17	T	91.7	Very high	92.4	Very high	125 Å²	125	54.7 Å²	54.7	77%	0.767	34%	0.339	S	S	*	.			trans	-123.4	143.6	175	36.9	0	0	0	0	109.3	Y19	T17-Y19 PolarHBondContact O-N 2.78Å
18	G	90.1	Very high	93.2	Very high	81 Å²	81	50.2 Å²	50.2	84%	0.835	31%	0.306	S	S	*	.	S	Bend	trans	76.8	-9.1	-178.4	0	0	0	0	0	116
19	Y	89	Confident	93.6	Very high	110 Å²	110	46.1 Å²	46.1	43%	0.431	29%	0.287	S	S	.	.	S	Bend	trans	-138.3	162.1	178.6	-57.8	-71.2	0	0	0	111.2	V16 T17 N68 V98	V16-Y19 WeakPolarHBondContact CG1-O 3.49Å; T17-Y19 PolarHBondContact O-N 2.78Å; Y19-N68 PolarHBondContact O-ND2 3.39Å; Y19-V98 HydrophobicContact CE2-CG2 3.86Å
20	S	91.8	Very high	93.8	Very high	45 Å²	45	43.1 Å²	43.1	32%	0.315	27%	0.268	S	S	.	.			trans	-99.8	134.1	173.6	-177.2	0	0	0	0	111.4	T22 S23 N68	S20-T22 PolarHBondContact O-N 3.13Å; S20-T22 VanDerWaalsContact O-N 3.07Å; S20-T22 PolarHBondContact OG-N 3.38Å; S20-T22 PolarHBondContact OG-OG1 3.3Å; S20-S23 PolarHBondContact O-N 3.14Å; S20-N68 WeakPolarHBondContact CA-OD1 3.33Å
21	I	93.1	Very high	94	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-9.7	175.3	67.8	171.5	0	0	0	113.7	V16 W26 R63 D64 T65 N68 Q69 Y70	V16-I21 HydrophobicContact CB-CG2 3.85Å; V16-I21 HydrophobicContact CG1-CG2 4.48Å; V16-I21 HydrophobicContact CG2-CG2 3.56Å; I21-W26 HydrophobicContact CG2-CD2 4.42Å; I21-W26 HydrophobicContact CG2-CZ2 4.35Å; I21-W26 PolarHBondContact O-NE1 3.42Å; I21-W26 VanDerWaalsContact O-NE1 3.09Å; I21-R63 HydrophobicContact CD1-CB 3.96Å; I21-D64 WeakPolarHBondContact CD1-O 3.49Å; I21-T65 HydrophobicContact CD1-CG2 4.13Å; I21-T65 HydrophobicContact CG1-CG2 4.25Å; I21-N68 WeakPolarHBondContact CG2-OD1 3.47Å; I21-N68 PolarHBondContact N-OD1 3.24Å; I21-Q69 WeakPolarHBondContact CD1-O 3.24Å; I21-Y70 HydrophobicContact CG2-CD1 4.28Å
22	T	92.9	Very high	94	Very high	63 Å²	63	43.1 Å²	43.1	39%	0.387	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	13.7	178.4	61.4	0	0	0	0	113.6	S20 Y45 T65	S20-T22 PolarHBondContact O-N 3.13Å; S20-T22 VanDerWaalsContact O-N 3.07Å; S20-T22 PolarHBondContact OG-N 3.38Å; S20-T22 PolarHBondContact OG-OG1 3.3Å; T22-Y45 VanDerWaalsContact C-CB 3.5Å; T22-Y45 WeakPolarHBondContact O-CB 3.34Å; T22-T65 HydrophobicContact CG2-CG2 3.45Å; T22-T65 VanDerWaalsContact CG2-CG2 3.45Å
23	S	88.8	Confident	93.8	Very high	71 Å²	71	47.4 Å²	47.4	50%	0.497	29%	0.286	S	S	.	.	S	Bend	trans	-110.5	-25.2	-179.7	-58.5	0	0	0	0	114.3	S20	S20-S23 PolarHBondContact O-N 3.14Å
24	D	90	Very high	93.6	Very high	24 Å²	24	47.4 Å²	47.4	13%	0.128	30%	0.3	C	S	.	.	S	Bend	trans	-141.2	-172.4	-167.3	-68.4	-61.4	0	0	0	112.9	W26 S44 Y45 R89	D24-W26 HydrophobicContact CB-CZ2 4.49Å; D24-S44 CarbonylContact O-C 3.46Å; D24-Y45 PolarHBondContact O-N 2.94Å; D24-R89 HydrophobicContact CB-CG 3.9Å; D24-R89 WeakPolarHBondContact OD2-CD 3.34Å; D24-R89 IonicContact OD2-NH1 3.61Å; D24-R89 PolarHBondContact OD2-NH1 3.17Å
25	Y	92.9	Very high	93.3	Very high	66 Å²	66	52.4 Å²	52.4	26%	0.259	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	134.5	170.9	-61.1	-98.1	0	0	0	110.3	N27 Y42 L90	Y25-N27 PolarHBondContact O-ND2 2.82Å; Y25-N27 VanDerWaalsContact O-ND2 3.14Å; Y25-Y42 AromaticContact CD1-CD2 3.81Å; Y25-Y42 HydrophobicContact CD1-CD2 3.81Å; Y25-Y42 AromaticContact CD1-CE2 3.74Å; Y25-Y42 HydrophobicContact CD1-CE2 3.74Å; Y25-Y42 HydrophobicContact CD1-CG 4.31Å; Y25-Y42 HydrophobicContact CE1-CE2 4.01Å; Y25-L90 PolarHBondContact N-O 3.01Å; Y25-L90 PolarHBondContact O-N 3.33Å
26	W	94.8	Very high	93.3	Very high	7 Å²	7	55.8 Å²	55.8	3%	0.027	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	122.5	-176.5	-60.9	93.5	0	0	0	110	V16 I21 D24 Y42 I43 Y70 R89	V16-W26 HydrophobicContact CB-CH2 4.3Å; V16-W26 HydrophobicContact CB-CZ3 4.45Å; V16-W26 HydrophobicContact CG1-CH2 3.44Å; V16-W26 VanDerWaalsContact CG1-CH2 3.44Å; V16-W26 HydrophobicContact CG1-CZ2 4.1Å; V16-W26 HydrophobicContact CG1-CZ3 3.93Å; V16-W26 HydrophobicContact CG2-CD2 4.45Å; V16-W26 HydrophobicContact CG2-CE3 3.92Å; V16-W26 HydrophobicContact CG2-CH2 3.87Å; V16-W26 HydrophobicContact CG2-CZ2 4.42Å; V16-W26 HydrophobicContact CG2-CZ3 3.6Å; I21-W26 HydrophobicContact CG2-CD2 4.42Å; I21-W26 HydrophobicContact CG2-CZ2 4.35Å; I21-W26 PolarHBondContact O-NE1 3.42Å; I21-W26 VanDerWaalsContact O-NE1 3.09Å; D24-W26 HydrophobicContact CB-CZ2 4.49Å; W26-Y42 CarbonylContact O-C 3.53Å; W26-Y42 WeakPolarHBondContact O-CA 3.46Å; W26-Y42 WeakPolarHBondContact O-CB 3.44Å; W26-I43 HydrophobicContact CB-CG2 4.14Å; W26-I43 PolarHBondContact N-O 2.7Å; W26-I43 PolarHBondContact O-N 3.2Å; W26-Y70 HydrophobicContact CB-CD1 4.11Å; W26-Y70 HydrophobicContact CB-CD2 4.01Å; W26-Y70 HydrophobicContact CB-CE1 3.88Å; W26-Y70 HydrophobicContact CB-CE2 3.8Å; W26-Y70 HydrophobicContact CB-CG 4.15Å; W26-Y70 HydrophobicContact CD2-CE1 4.04Å; W26-Y70 AromaticContact CE3-CE1 3.69Å; W26-Y70 HydrophobicContact CE3-CE1 3.69Å; W26-Y70 HydrophobicContact CG-CD1 4.33Å; W26-Y70 HydrophobicContact CG-CE1 4.13Å; W26-R89 HydrophobicContact CE3-CB 4.07Å; W26-R89 HydrophobicContact CE3-CG 4.38Å; W26-R89 HydrophobicContact CH2-CB 4.08Å; W26-R89 HydrophobicContact CH2-CG 3.97Å; W26-R89 HydrophobicContact CZ2-CG 4.28Å; W26-R89 HydrophobicContact CZ3-CB 3.67Å; W26-R89 HydrophobicContact CZ3-CG 4.02Å
27	N	95.9	Very high	93.3	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.005	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	148.9	-160.5	-58.6	-104.1	0	0	0	110.1	Y25 Y39 G41 Y42 C87 A88 L90 F96	Y25-N27 PolarHBondContact O-ND2 2.82Å; Y25-N27 VanDerWaalsContact O-ND2 3.14Å; N27-Y39 HydrophobicContact CB-CE2 4.11Å; N27-Y39 PolarHBondContact OD1-OH 2.73Å; N27-G41 WeakPolarHBondContact CA-O 3.41Å; N27-Y42 VanDerWaalsContact OD1-CB 3.32Å; N27-Y42 WeakPolarHBondContact OD1-CB 3.33Å; N27-C87 CarbonylContact O-C 3.48Å; N27-C87 WeakPolarHBondContact O-CA 3.27Å; N27-A88 WeakPolarHBondContact CB-O 3.4Å; N27-A88 PolarHBondContact N-O 2.9Å; N27-A88 PolarHBondContact ND2-O 3.24Å; N27-A88 PolarHBondContact O-N 2.85Å; N27-L90 WeakPolarHBondContact ND2-CB 3.49Å; N27-L90 PolarHBondContact ND2-N 2.84Å; N27-F96 HydrophobicContact CB-CE1 3.75Å; N27-F96 HydrophobicContact CB-CZ 4.46Å; N27-F96 VanDerWaalsContact CG-CE1 3.49Å
28	W	97.3	Very high	93.5	Very high	6 Å²	6	55.7 Å²	55.7	2%	0.023	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	130.8	170.2	-75.5	99.9	0	0	0	110.3	L12 C14 M40 G41 Y70 L72 Y86 C87	L12-W28 HydrophobicContact CB-CH2 3.69Å; L12-W28 HydrophobicContact CB-CZ2 4.33Å; L12-W28 HydrophobicContact CB-CZ3 4.05Å; L12-W28 HydrophobicContact CD1-CZ3 4.15Å; C14-W28 HydrophobicContact CB-CH2 3.97Å; C14-W28 HydrophobicContact CB-CZ2 3.87Å; W28-M40 HydrophobicContact CB-CB 4.07Å; W28-M40 HydrophobicContact CB-SD 4.42Å; W28-M40 WeakPolarHBondContact O-CB 3.36Å; W28-M40 PolarHBondContact O-N 2.64Å; W28-G41 PolarHBondContact N-O 2.87Å; W28-Y70 AromaticContact CD1-CE2 3.95Å; W28-Y70 HydrophobicContact CD2-CE2 4.45Å; W28-Y70 AromaticContact CE2-CD2 3.93Å; W28-Y70 AromaticContact CE2-CE2 3.73Å; W28-Y70 HydrophobicContact CZ2-CD2 4.25Å; W28-Y70 HydrophobicContact CZ2-CE2 4.13Å; W28-Y70 AromaticContact NE1-CD2 3.31Å; W28-Y70 VanDerWaalsContact NE1-CD2 3.31Å; W28-Y70 AromaticContact NE1-CE2 3.38Å; W28-L72 HydrophobicContact CB-CD2 4.12Å; W28-L72 HydrophobicContact CD2-CB 3.64Å; W28-L72 HydrophobicContact CD2-CD2 3.86Å; W28-L72 HydrophobicContact CD2-CG 4.34Å; W28-L72 VanDerWaalsContact CE2-CB 3.43Å; W28-L72 HydrophobicContact CE3-CB 4.25Å; W28-L72 HydrophobicContact CE3-CD2 3.94Å; W28-L72 HydrophobicContact CG-CB 3.88Å; W28-L72 HydrophobicContact CG-CD1 4.49Å; W28-L72 HydrophobicContact CG-CD2 3.95Å; W28-L72 HydrophobicContact CG-CG 4.34Å; W28-L72 HydrophobicContact CH2-CB 4.45Å; W28-L72 HydrophobicContact CZ2-CB 3.87Å; W28-Y86 WeakPolarHBondContact CA-O 3.37Å; W28-C87 HydrophobicContact CD2-CB 4.45Å; W28-C87 HydrophobicContact CE3-CB 4.16Å; W28-C87 HydrophobicContact CH2-CB 4.01Å; W28-C87 HydrophobicContact CZ2-CB 4.29Å; W28-C87 HydrophobicContact CZ3-CB 3.93Å
29	I	96.8	Very high	93.8	Very high	9 Å²	9	55 Å²	55	5%	0.046	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	134.4	-178.4	-58.1	167	0	0	0	106.7	L37 E38 Y39 Y86 A88 F96 W99	I29-L37 HydrophobicContact CG2-CD2 4.01Å; I29-E38 WeakPolarHBondContact CA-O 3.39Å; I29-Y39 HydrophobicContact CG1-CD2 4.1Å; I29-Y86 PolarHBondContact N-O 3.06Å; I29-Y86 WeakPolarHBondContact O-CA 3.43Å; I29-Y86 PolarHBondContact O-N 3.07Å; I29-A88 HydrophobicContact CD1-CB 4.1Å; I29-F96 HydrophobicContact CD1-CD1 4.44Å; I29-F96 HydrophobicContact CD1-CE1 4.11Å; I29-F96 HydrophobicContact CD1-CE2 4.25Å; I29-F96 HydrophobicContact CD1-CZ 4.01Å; I29-W99 HydrophobicContact CB-CZ3 4.23Å; I29-W99 HydrophobicContact CD1-CH2 3.27Å; I29-W99 HydrophobicContact CD1-CZ2 4Å; I29-W99 HydrophobicContact CD1-CZ3 3.62Å; I29-W99 HydrophobicContact CG1-CH2 4.46Å; I29-W99 HydrophobicContact CG2-CH2 4.37Å; I29-W99 HydrophobicContact CG2-CZ3 4.27Å
30	R	96.6	Very high	94.2	Very high	11 Å²	11	49.8 Å²	49.8	4%	0.042	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	143.1	173.5	66.1	-178.1	178.2	171.2	7.6	111.4	F32 L37 E38 M40 D81 A83 T84 Y85	R30-F32 HydrophobicContact CG-CE2 4.34Å; R30-F32 HydrophobicContact CG-CZ 4.15Å; R30-L37 CarbonylContact O-C 3.59Å; R30-L37 WeakPolarHBondContact O-CA 3.35Å; R30-E38 HydrophobicContact CG-CB 4.11Å; R30-E38 IonicContact CZ-OE2 2.7Å; R30-E38 PolarHBondContact N-O 3.46Å; R30-E38 IonicContact NE-OE2 3.54Å; R30-E38 PolarHBondContact NE-OE2 2.98Å; R30-E38 IonicContact NH2-OE2 3.61Å; R30-E38 PolarHBondContact NH2-OE2 3.35Å; R30-E38 PolarHBondContact O-N 3.14Å; R30-M40 HydrophobicContact CB-SD 4.01Å; R30-M40 HydrophobicContact CG-CG 4.14Å; R30-M40 HydrophobicContact CG-SD 3.99Å; R30-D81 IonicContact CZ-OD1 3.07Å; R30-D81 IonicContact NH1-OD1 2.68Å; R30-D81 PolarHBondContact NH1-OD1 2.67Å; R30-D81 IonicContact NH2-OD1 2.67Å; R30-A83 HydrophobicContact CB-CB 3.97Å; R30-A83 HydrophobicContact CG-CB 4.43Å; R30-T84 CarbonylContact C-O 3.6Å; R30-T84 WeakPolarHBondContact CA-O 3.16Å; R30-Y85 HydrophobicContact CB-CD1 3.83Å; R30-Y85 HydrophobicContact CB-CE1 3.88Å; R30-Y85 HydrophobicContact CB-CG 4.28Å; R30-Y85 HydrophobicContact CG-CE1 4.45Å; R30-Y85 PolarHBondContact NH1-OH 2.87Å
31	K	97.3	Very high	94.4	Very high	64 Å²	64	47.7 Å²	47.7	28%	0.278	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	116.4	178.8	-169.3	-176.6	172.8	-165.2	0	109.2	N35 K36 L37 A83 T84 Y86	K31-N35 WeakPolarHBondContact CE-OD1 3.34Å; K31-N35 PolarHBondContact NZ-OD1 3Å; K31-K36 CarbonylContact C-O 3.59Å; K31-K36 WeakPolarHBondContact CA-O 3.5Å; K31-L37 HydrophobicContact CB-CD2 3.6Å; K31-L37 HydrophobicContact CD-CD2 4.21Å; K31-L37 HydrophobicContact CG-CD2 3.71Å; K31-L37 HydrophobicContact CG-CG 4.47Å; K31-A83 WeakPolarHBondContact O-CA 3.2Å; K31-A83 WeakPolarHBondContact O-CB 3.43Å; K31-T84 PolarHBondContact N-O 2.68Å; K31-T84 PolarHBondContact O-N 2.89Å; K31-Y86 HydrophobicContact CB-CD2 4.26Å; K31-Y86 HydrophobicContact CB-CE2 3.61Å; K31-Y86 HydrophobicContact CD-CE2 4.23Å
32	F	96.3	Very high	94.6	Very high	36 Å²	36	50.7 Å²	50.7	16%	0.158	27%	0.273	C	S	.	.			trans	-77.4	160.1	177.4	-62.6	-74.5	0	0	0	111.7	R30 G34 N35 K36 E38 E80 A83	R30-F32 HydrophobicContact CG-CE2 4.34Å; R30-F32 HydrophobicContact CG-CZ 4.15Å; F32-G34 PolarHBondContact O-N 3.08Å; F32-N35 PolarHBondContact O-N 2.84Å; F32-N35 VanDerWaalsContact O-N 3.08Å; F32-K36 HydrophobicContact CB-CB 4.45Å; F32-K36 HydrophobicContact CD2-CB 4.27Å; F32-K36 HydrophobicContact CD2-CD 4.37Å; F32-K36 HydrophobicContact CD2-CG 4.25Å; F32-K36 PolarHBondContact N-O 2.91Å; F32-E38 HydrophobicContact CE2-CB 3.76Å; F32-E38 HydrophobicContact CZ-CB 4.48Å; F32-E80 VanDerWaalsContact CE1-O 3.25Å; F32-E80 WeakPolarHBondContact CE1-O 3.35Å; F32-A83 HydrophobicContact CD1-CB 3.97Å; F32-A83 HydrophobicContact CE1-CB 4.18Å
33	P	92.1	Very high	94.7	Very high	105 Å²	105	48 Å²	48	68%	0.682	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.8	134.2	159.1	-24.2	34.6	0	0	0	110.1
34	G	92.7	Very high	95	Very high	73 Å²	73	44.8 Å²	44.8	75%	0.753	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.8	11.5	-172.4	0	0	0	0	0	115.3	F32 K36	F32-G34 PolarHBondContact O-N 3.08Å; G34-K36 VanDerWaalsContact C-N 3.27Å; G34-K36 PolarHBondContact O-N 2.89Å
35	N	89.8	Confident	95.1	Very high	115 Å²	115	48.8 Å²	48.8	62%	0.615	25%	0.248	S	C	*	.	S	Bend	trans	67.4	10.8	171.6	-57.9	-56.2	0	0	0	116.8	K31 F32 L37	K31-N35 WeakPolarHBondContact CE-OD1 3.34Å; K31-N35 PolarHBondContact NZ-OD1 3Å; F32-N35 PolarHBondContact O-N 2.84Å; F32-N35 VanDerWaalsContact O-N 3.08Å; N35-L37 PolarHBondContact O-N 2.85Å
36	K	94.8	Very high	95.1	Very high	141 Å²	141	49 Å²	49	61%	0.613	26%	0.259	S	S	*	.			trans	-67.9	127.5	170.4	-178.6	179.6	177.5	-173.4	0	110.1	K31 F32 G34	K31-K36 CarbonylContact C-O 3.59Å; K31-K36 WeakPolarHBondContact CA-O 3.5Å; F32-K36 HydrophobicContact CB-CB 4.45Å; F32-K36 HydrophobicContact CD2-CB 4.27Å; F32-K36 HydrophobicContact CD2-CD 4.37Å; F32-K36 HydrophobicContact CD2-CG 4.25Å; F32-K36 PolarHBondContact N-O 2.91Å; G34-K36 VanDerWaalsContact C-N 3.27Å; G34-K36 PolarHBondContact O-N 2.89Å
37	L	94.8	Very high	95.1	Very high	99 Å²	99	50 Å²	50	52%	0.518	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	142.2	173.5	-68.7	169.2	0	0	0	110.5	I29 R30 K31 N35	I29-L37 HydrophobicContact CG2-CD2 4.01Å; R30-L37 CarbonylContact O-C 3.59Å; R30-L37 WeakPolarHBondContact O-CA 3.35Å; K31-L37 HydrophobicContact CB-CD2 3.6Å; K31-L37 HydrophobicContact CD-CD2 4.21Å; K31-L37 HydrophobicContact CG-CD2 3.71Å; K31-L37 HydrophobicContact CG-CG 4.47Å; N35-L37 PolarHBondContact O-N 2.85Å
38	E	96.6	Very high	95.1	Very high	41 Å²	41	53.2 Å²	53.2	19%	0.192	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	123.8	170.6	-178.5	175.9	-118.9	0	0	109.8	I29 R30 F32	I29-E38 WeakPolarHBondContact CA-O 3.39Å; R30-E38 HydrophobicContact CG-CB 4.11Å; R30-E38 IonicContact CZ-OE2 2.7Å; R30-E38 PolarHBondContact N-O 3.46Å; R30-E38 IonicContact NE-OE2 3.54Å; R30-E38 PolarHBondContact NE-OE2 2.98Å; R30-E38 IonicContact NH2-OE2 3.61Å; R30-E38 PolarHBondContact NH2-OE2 3.35Å; R30-E38 PolarHBondContact O-N 3.14Å; F32-E38 HydrophobicContact CE2-CB 3.76Å; F32-E38 HydrophobicContact CZ-CB 4.48Å
39	Y	95.8	Very high	95.1	Very high	68 Å²	68	55.7 Å²	55.7	27%	0.267	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	128.7	173.3	176.8	-102.3	0	0	0	109.8	N27 I29 G41 Y42 Y50 N52 F96	N27-Y39 HydrophobicContact CB-CE2 4.11Å; N27-Y39 PolarHBondContact OD1-OH 2.73Å; I29-Y39 HydrophobicContact CG1-CD2 4.1Å; Y39-G41 WeakPolarHBondContact OH-CA 3.48Å; Y39-G41 PolarHBondContact OH-O 2.89Å; Y39-Y42 WeakPolarHBondContact OH-CB 3.46Å; Y39-Y42 WeakPolarHBondContact OH-CD1 3.3Å; Y39-Y42 PolarHBondContact OH-N 3.38Å; Y39-Y50 AromaticContact CE1-CD1 3.95Å; Y39-Y50 HydrophobicContact CE1-CD1 3.95Å; Y39-Y50 AromaticContact CE1-CE1 3.97Å; Y39-Y50 HydrophobicContact CE1-CE1 3.97Å; Y39-N52 WeakPolarHBondContact O-CB 3.39Å; Y39-N52 PolarHBondContact O-ND2 3.38Å; Y39-F96 HydrophobicContact CE2-CZ 4.46Å
40	M	97.2	Very high	95.1	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-40.4	-176.6	-56.7	-175.1	71.7	0	0	112.2	W28 R30 N52 L55 I59 L72 Y85	W28-M40 HydrophobicContact CB-CB 4.07Å; W28-M40 HydrophobicContact CB-SD 4.42Å; W28-M40 WeakPolarHBondContact O-CB 3.36Å; W28-M40 PolarHBondContact O-N 2.64Å; R30-M40 HydrophobicContact CB-SD 4.01Å; R30-M40 HydrophobicContact CG-CG 4.14Å; R30-M40 HydrophobicContact CG-SD 3.99Å; M40-N52 WeakPolarHBondContact O-CB 3.5Å; M40-N52 PolarHBondContact O-N 2.63Å; M40-L55 HydrophobicContact CB-CD1 4.17Å; M40-L55 HydrophobicContact CE-CD1 4.15Å; M40-L55 HydrophobicContact CG-CD1 3.97Å; M40-I59 HydrophobicContact CB-CD1 4.45Å; M40-I59 HydrophobicContact CE-CG2 3.93Å; M40-I59 WeakPolarHBondContact O-CD1 3.41Å; M40-L72 HydrophobicContact CE-CD1 4.22Å; M40-L72 HydrophobicContact CE-CD2 3.69Å; M40-L72 HydrophobicContact SD-CD2 3.66Å; M40-Y85 HydrophobicContact CE-CD1 4.43Å; M40-Y85 HydrophobicContact CE-CE1 3.89Å; M40-Y85 HydrophobicContact SD-CD1 3.72Å; M40-Y85 HydrophobicContact SD-CE1 3.66Å
41	G	96.6	Very high	95.1	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.7	179.5	-176.2	0	0	0	0	0	112.7	N27 W28 Y39 Y50	N27-G41 WeakPolarHBondContact CA-O 3.41Å; W28-G41 PolarHBondContact N-O 2.87Å; Y39-G41 WeakPolarHBondContact OH-CA 3.48Å; Y39-G41 PolarHBondContact OH-O 2.89Å; G41-Y50 CarbonylContact C-O 3.57Å; G41-Y50 WeakPolarHBondContact CA-O 3.33Å
42	Y	96.1	Very high	95.1	Very high	64 Å²	64	60.6 Å²	60.6	25%	0.251	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	162.9	175.9	71.8	-116.9	0	0	0	112.5	Y25 W26 N27 Y39 T49 Y50	Y25-Y42 AromaticContact CD1-CD2 3.81Å; Y25-Y42 HydrophobicContact CD1-CD2 3.81Å; Y25-Y42 AromaticContact CD1-CE2 3.74Å; Y25-Y42 HydrophobicContact CD1-CE2 3.74Å; Y25-Y42 HydrophobicContact CD1-CG 4.31Å; Y25-Y42 HydrophobicContact CE1-CE2 4.01Å; W26-Y42 CarbonylContact O-C 3.53Å; W26-Y42 WeakPolarHBondContact O-CA 3.46Å; W26-Y42 WeakPolarHBondContact O-CB 3.44Å; N27-Y42 VanDerWaalsContact OD1-CB 3.32Å; N27-Y42 WeakPolarHBondContact OD1-CB 3.33Å; Y39-Y42 WeakPolarHBondContact OH-CB 3.46Å; Y39-Y42 WeakPolarHBondContact OH-CD1 3.3Å; Y39-Y42 PolarHBondContact OH-N 3.38Å; Y42-T49 VanDerWaalsContact O-CA 3.28Å; Y42-T49 WeakPolarHBondContact O-CA 3.44Å; Y42-Y50 VanDerWaalsContact CE1-CB 3.41Å; Y42-Y50 HydrophobicContact CE1-CD1 4.38Å; Y42-Y50 HydrophobicContact CE1-CG 4.04Å; Y42-Y50 VanDerWaalsContact CZ-CB 3.42Å; Y42-Y50 PolarHBondContact N-O 2.8Å; Y42-Y50 PolarHBondContact O-N 2.89Å
43	I	96.7	Very high	95.1	Very high	8 Å²	8	63.6 Å²	63.6	4%	0.041	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130.1	157.9	-169.8	160.9	0	0	0	109.8	W26 S48 T49 I61 R63 Y70	W26-I43 HydrophobicContact CB-CG2 4.14Å; W26-I43 PolarHBondContact N-O 2.7Å; W26-I43 PolarHBondContact O-N 3.2Å; I43-S48 WeakPolarHBondContact CA-O 3.3Å; I43-T49 HydrophobicContact CB-CG2 4.2Å; I43-T49 HydrophobicContact CD1-CG2 4.02Å; I43-T49 HydrophobicContact CG1-CG2 3.98Å; I43-I61 HydrophobicContact CB-CG2 3.73Å; I43-I61 HydrophobicContact CG2-CG2 3.75Å; I43-R63 HydrophobicContact CD1-CB 3.97Å; I43-R63 HydrophobicContact CD1-CG 3.77Å; I43-Y70 HydrophobicContact CG2-CD2 4.46Å
44	S	94.5	Very high	95.1	Very high	2 Å²	2	63 Å²	63	1%	0.014	35%	0.351	C	S	.	.			trans	-81.8	169	-179.5	72.4	0	0	0	0	111.9	D24 S46 G47 S48 R63	D24-S44 CarbonylContact O-C 3.46Å; S44-S46 PolarHBondContact O-N 2.86Å; S44-S46 VanDerWaalsContact O-N 3.17Å; S44-S46 PolarHBondContact OG-N 3.16Å; S44-S46 PolarHBondContact OG-OG 2.74Å; S44-G47 WeakPolarHBondContact O-CA 3.29Å; S44-G47 PolarHBondContact O-N 2.82Å; S44-G47 PolarHBondContact OG-N 2.9Å; S44-S48 PolarHBondContact N-O 3.01Å; S44-S48 WeakPolarHBondContact OG-CB 3.48Å; S44-S48 PolarHBondContact OG-N 3.29Å; S44-S48 PolarHBondContact OG-O 3.12Å; S44-R63 PolarHBondContact O-NH1 3.36Å
45	Y	92	Very high	95.2	Very high	109 Å²	109	59.8 Å²	59.8	43%	0.427	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-25.2	169.9	70.6	-92	0	0	0	114.1	T22 D24 R63	T22-Y45 VanDerWaalsContact C-CB 3.5Å; T22-Y45 WeakPolarHBondContact O-CB 3.34Å; D24-Y45 PolarHBondContact O-N 2.94Å; Y45-R63 VanDerWaalsContact O-CZ 3.26Å; Y45-R63 PolarHBondContact O-NH1 3.1Å; Y45-R63 PolarHBondContact O-NH2 2.87Å
46	S	93.5	Very high	95.4	Very high	69 Å²	69	60.9 Å²	60.9	48%	0.483	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-7.2	173.9	59.7	0	0	0	0	113.2	S44 S48 R63	S44-S46 PolarHBondContact O-N 2.86Å; S44-S46 VanDerWaalsContact O-N 3.17Å; S44-S46 PolarHBondContact OG-N 3.16Å; S44-S46 PolarHBondContact OG-OG 2.74Å; S46-S48 PolarHBondContact OG-OG 2.89Å; S46-S48 VanDerWaalsContact OG-OG 3.08Å; S46-R63 VanDerWaalsContact C-NH2 3.26Å
47	G	94.8	Very high	95.4	Very high	29 Å²	29	59.6 Å²	59.6	30%	0.299	33%	0.325	S	S	.	.	S	Bend	trans	88.7	4.7	-176.3	0	0	0	0	0	113.7	S44	S44-G47 WeakPolarHBondContact O-CA 3.29Å; S44-G47 PolarHBondContact O-N 2.82Å; S44-G47 PolarHBondContact OG-N 2.9Å
48	S	95.4	Very high	95.5	Very high	69 Å²	69	57.5 Å²	57.5	48%	0.483	31%	0.31	S	S	.	.			trans	-73	133.6	175.8	-51.6	0	0	0	0	110.2	I43 S44 S46	I43-S48 WeakPolarHBondContact CA-O 3.3Å; S44-S48 PolarHBondContact N-O 3.01Å; S44-S48 WeakPolarHBondContact OG-CB 3.48Å; S44-S48 PolarHBondContact OG-N 3.29Å; S44-S48 PolarHBondContact OG-O 3.12Å; S46-S48 PolarHBondContact OG-OG 2.89Å; S46-S48 VanDerWaalsContact OG-OG 3.08Å
49	T	97.1	Very high	95.4	Very high	58 Å²	58	56 Å²	56	36%	0.356	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	143.2	-176.9	55.3	0	0	0	0	112.1	Y42 I43 Y51	Y42-T49 VanDerWaalsContact O-CA 3.28Å; Y42-T49 WeakPolarHBondContact O-CA 3.44Å; I43-T49 HydrophobicContact CB-CG2 4.2Å; I43-T49 HydrophobicContact CD1-CG2 4.02Å; I43-T49 HydrophobicContact CG1-CG2 3.98Å; T49-Y51 PolarHBondContact OG1-OH 2.05Å
50	Y	96.3	Very high	95.5	Very high	110 Å²	110	54.5 Å²	54.5	43%	0.431	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	140.7	164.7	176.9	-89.5	0	0	0	109.3	Y39 G41 Y42	Y39-Y50 AromaticContact CE1-CD1 3.95Å; Y39-Y50 HydrophobicContact CE1-CD1 3.95Å; Y39-Y50 AromaticContact CE1-CE1 3.97Å; Y39-Y50 HydrophobicContact CE1-CE1 3.97Å; G41-Y50 CarbonylContact C-O 3.57Å; G41-Y50 WeakPolarHBondContact CA-O 3.33Å; Y42-Y50 VanDerWaalsContact CE1-CB 3.41Å; Y42-Y50 HydrophobicContact CE1-CD1 4.38Å; Y42-Y50 HydrophobicContact CE1-CG 4.04Å; Y42-Y50 VanDerWaalsContact CZ-CB 3.42Å; Y42-Y50 PolarHBondContact N-O 2.8Å; Y42-Y50 PolarHBondContact O-N 2.89Å
51	Y	97.3	Very high	95.5	Very high	49 Å²	49	54.7 Å²	54.7	19%	0.192	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	140.7	-178.9	-57.7	-61.3	0	0	0	109.9	T49 P53 K56 I59 I61	T49-Y51 PolarHBondContact OG1-OH 2.05Å; Y51-P53 WeakPolarHBondContact O-CD 3.1Å; Y51-K56 HydrophobicContact CD2-CG 4.21Å; Y51-K56 HydrophobicContact CG-CG 4.45Å; Y51-I59 HydrophobicContact CD1-CD1 3.55Å; Y51-I59 HydrophobicContact CD1-CG1 3.59Å; Y51-I59 HydrophobicContact CE1-CD1 4.46Å; Y51-I59 HydrophobicContact CE1-CG1 4.2Å; Y51-I59 HydrophobicContact CG-CD1 4.18Å; Y51-I59 HydrophobicContact CG-CG1 4.17Å; Y51-I61 HydrophobicContact CD1-CD1 4.16Å; Y51-I61 HydrophobicContact CD1-CG1 4.45Å; Y51-I61 HydrophobicContact CE1-CB 4.11Å; Y51-I61 HydrophobicContact CE1-CD1 4.03Å; Y51-I61 HydrophobicContact CE1-CG1 3.91Å; Y51-I61 PolarHBondContact OH-N 3.34Å
52	N	96.3	Very high	95.6	Very high	28 Å²	28	57.9 Å²	57.9	15%	0.15	32%	0.323	C	S	.	.			trans	-57.9	125.5	166.2	-179.4	-28.9	0	0	0	108.9	Y39 M40 S54 L55 K56	Y39-N52 WeakPolarHBondContact O-CB 3.39Å; Y39-N52 PolarHBondContact O-ND2 3.38Å; M40-N52 WeakPolarHBondContact O-CB 3.5Å; M40-N52 PolarHBondContact O-N 2.63Å; N52-S54 PolarHBondContact O-N 2.99Å; N52-S54 VanDerWaalsContact O-N 3.12Å; N52-S54 PolarHBondContact OD1-N 3.41Å; N52-L55 HydrophobicContact CB-CB 4.44Å; N52-L55 HydrophobicContact CB-CD1 4.4Å; N52-L55 CarbonylContact O-C 3.53Å; N52-L55 PolarHBondContact O-N 3.44Å; N52-K56 PolarHBondContact O-N 2.88Å
53	P	96	Very high	95.6	Very high	98 Å²	98	58.3 Å²	58.3	64%	0.636	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-37.6	-178.8	-29.5	35.9	0	0	0	114.2	Y51 L55	Y51-P53 WeakPolarHBondContact O-CD 3.1Å; P53-L55 PolarHBondContact O-N 2.87Å
54	S	93.6	Very high	95.6	Very high	94 Å²	94	59.8 Å²	59.8	66%	0.657	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-20.2	179.5	-58	0	0	0	0	113.7	N52	N52-S54 PolarHBondContact O-N 2.99Å; N52-S54 VanDerWaalsContact O-N 3.12Å; N52-S54 PolarHBondContact OD1-N 3.41Å
55	L	94.7	Very high	95.6	Very high	5 Å²	5	63.4 Å²	63.4	3%	0.026	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-10.7	-176.4	-63.2	175.3	0	0	0	113.1	M40 N52 P53 S57 R58 I59	M40-L55 HydrophobicContact CB-CD1 4.17Å; M40-L55 HydrophobicContact CE-CD1 4.15Å; M40-L55 HydrophobicContact CG-CD1 3.97Å; N52-L55 HydrophobicContact CB-CB 4.44Å; N52-L55 HydrophobicContact CB-CD1 4.4Å; N52-L55 CarbonylContact O-C 3.53Å; N52-L55 PolarHBondContact O-N 3.44Å; P53-L55 PolarHBondContact O-N 2.87Å; L55-S57 PolarHBondContact O-N 3.3Å; L55-R58 PolarHBondContact O-N 2.94Å; L55-I59 HydrophobicContact CB-CD1 3.86Å; L55-I59 HydrophobicContact CB-CG1 4.2Å; L55-I59 HydrophobicContact CB-CG2 3.97Å; L55-I59 WeakPolarHBondContact O-CG1 3.21Å; L55-I59 PolarHBondContact O-N 3.09Å
56	K	93.6	Very high	95.8	Very high	137 Å²	137	63.1 Å²	63.1	60%	0.596	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-30.8	-169.4	-174.7	175.5	-179.1	-176.2	0	114.7	Y51 N52	Y51-K56 HydrophobicContact CD2-CG 4.21Å; Y51-K56 HydrophobicContact CG-CG 4.45Å; N52-K56 PolarHBondContact O-N 2.88Å
57	S	95.2	Very high	96	Very high	114 Å²	114	65.8 Å²	65.8	80%	0.797	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-18	178.2	57.3	0	0	0	0	113.9	L55	L55-S57 PolarHBondContact O-N 3.3Å
58	R	95.5	Very high	96	Very high	55 Å²	55	66.1 Å²	66.1	21%	0.208	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-22.3	-173.8	-57.7	-161.7	-61.6	139.2	0.6	113.6	L55 L74 N75 S76 D81	L55-R58 PolarHBondContact O-N 2.94Å; R58-L74 HydrophobicContact CB-CD1 3.91Å; R58-N75 PolarHBondContact O-N 2.91Å; R58-S76 PolarHBondContact NH1-O 2.87Å; R58-S76 VanDerWaalsContact NH1-O 3.16Å; R58-D81 IonicContact CZ-OD1 3.55Å; R58-D81 IonicContact CZ-OD2 2.74Å; R58-D81 IonicContact NH1-OD1 2.63Å; R58-D81 IonicContact NH1-OD2 2.86Å; R58-D81 PolarHBondContact NH1-OD2 2.93Å; R58-D81 IonicContact NH2-OD1 3.36Å; R58-D81 PolarHBondContact NH2-OD1 2.87Å; R58-D81 IonicContact NH2-OD2 3.67Å
59	I	96.4	Very high	96.1	Very high	9 Å²	9	64.9 Å²	64.9	5%	0.046	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	145.8	-175.7	68	177.5	0	0	0	113	M40 Y51 L55 L72 Q73 L74	M40-I59 HydrophobicContact CB-CD1 4.45Å; M40-I59 HydrophobicContact CE-CG2 3.93Å; M40-I59 WeakPolarHBondContact O-CD1 3.41Å; Y51-I59 HydrophobicContact CD1-CD1 3.55Å; Y51-I59 HydrophobicContact CD1-CG1 3.59Å; Y51-I59 HydrophobicContact CE1-CD1 4.46Å; Y51-I59 HydrophobicContact CE1-CG1 4.2Å; Y51-I59 HydrophobicContact CG-CD1 4.18Å; Y51-I59 HydrophobicContact CG-CG1 4.17Å; L55-I59 HydrophobicContact CB-CD1 3.86Å; L55-I59 HydrophobicContact CB-CG1 4.2Å; L55-I59 HydrophobicContact CB-CG2 3.97Å; L55-I59 WeakPolarHBondContact O-CG1 3.21Å; L55-I59 PolarHBondContact O-N 3.09Å; I59-L72 HydrophobicContact CB-CD1 4.17Å; I59-L72 HydrophobicContact CG2-CD1 4.3Å; I59-Q73 CarbonylContact C-O 3.56Å; I59-Q73 VanDerWaalsContact CA-O 3.27Å; I59-Q73 WeakPolarHBondContact CA-O 3.43Å; I59-L74 HydrophobicContact CG2-CD1 3.53Å
60	S	97.2	Very high	96.1	Very high	37 Å²	37	62.2 Å²	62.2	26%	0.259	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	133.4	167.3	178.3	0	0	0	0	108.9	Q73	S60-Q73 PolarHBondContact N-O 2.82Å; S60-Q73 PolarHBondContact O-N 3.42Å
61	I	97.9	Very high	96.1	Very high	4 Å²	4	59 Å²	59	2%	0.021	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	125.4	178	-58.9	168.5	0	0	0	107.9	I43 Y51 Y71 L72	I43-I61 HydrophobicContact CB-CG2 3.73Å; I43-I61 HydrophobicContact CG2-CG2 3.75Å; Y51-I61 HydrophobicContact CD1-CD1 4.16Å; Y51-I61 HydrophobicContact CD1-CG1 4.45Å; Y51-I61 HydrophobicContact CE1-CB 4.11Å; Y51-I61 HydrophobicContact CE1-CD1 4.03Å; Y51-I61 HydrophobicContact CE1-CG1 3.91Å; Y51-I61 PolarHBondContact OH-N 3.34Å; I61-Y71 WeakPolarHBondContact CA-O 3.37Å; I61-Y71 WeakPolarHBondContact CG2-O 3.38Å; I61-L72 HydrophobicContact CG1-CD1 3.98Å
62	T	97.3	Very high	96.2	Very high	68 Å²	68	56.8 Å²	56.8	42%	0.417	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	169.2	-178.2	63.7	0	0	0	0	110.8	Y70 Y71	T62-Y70 CarbonylContact O-C 3.56Å; T62-Y70 VanDerWaalsContact O-CA 3.31Å; T62-Y70 WeakPolarHBondContact O-CA 3.43Å; T62-Y70 WeakPolarHBondContact O-CB 3.47Å; T62-Y71 PolarHBondContact N-O 3.2Å; T62-Y71 VanDerWaalsContact N-O 3.11Å; T62-Y71 PolarHBondContact O-N 2.95Å
63	R	96.6	Very high	96.2	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	-142.3	152.6	178.6	69.3	179.9	-175.2	169.1	3.2	112.6	I21 I43 S44 Y45 S46 Q69	I21-R63 HydrophobicContact CD1-CB 3.96Å; I43-R63 HydrophobicContact CD1-CB 3.97Å; I43-R63 HydrophobicContact CD1-CG 3.77Å; S44-R63 PolarHBondContact O-NH1 3.36Å; Y45-R63 VanDerWaalsContact O-CZ 3.26Å; Y45-R63 PolarHBondContact O-NH1 3.1Å; Y45-R63 PolarHBondContact O-NH2 2.87Å; S46-R63 VanDerWaalsContact C-NH2 3.26Å; R63-Q69 WeakPolarHBondContact CA-O 3.38Å
64	D	96.4	Very high	96.2	Very high	39 Å²	39	54.7 Å²	54.7	21%	0.209	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	102.9	169.8	-176.2	-16	0	0	0	108.4	I21 S66 K67 N68 Q69 Y71	I21-D64 WeakPolarHBondContact CD1-O 3.49Å; D64-S66 VanDerWaalsContact C-N 3.27Å; D64-S66 PolarHBondContact O-N 3.31Å; D64-S66 WeakPolarHBondContact OD1-CB 3.23Å; D64-S66 PolarHBondContact OD1-N 2.89Å; D64-S66 PolarHBondContact OD1-OG 3.46Å; D64-K67 HydrophobicContact CB-CB 4.38Å; D64-K67 PolarHBondContact O-N 3.17Å; D64-K67 PolarHBondContact OD1-N 2.79Å; D64-K67 WeakPolarHBondContact OD2-CD 3.02Å; D64-K67 WeakPolarHBondContact OD2-CE 3.5Å; D64-K67 WeakPolarHBondContact OD2-CG 3.08Å; D64-K67 IonicContact OD2-NZ 3.64Å; D64-K67 PolarHBondContact OD2-NZ 3.49Å; D64-N68 PolarHBondContact O-N 2.83Å; D64-N68 VanDerWaalsContact O-N 3.09Å; D64-Q69 PolarHBondContact N-O 2.92Å; D64-Q69 PolarHBondContact O-N 2.88Å; D64-Y71 HydrophobicContact CB-CE2 3.79Å
65	T	95.5	Very high	96.3	Very high	79 Å²	79	52.6 Å²	52.6	49%	0.485	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-23.5	-177.7	55.3	0	0	0	0	112.5	I21 T22 K67 N68	I21-T65 HydrophobicContact CD1-CG2 4.13Å; I21-T65 HydrophobicContact CG1-CG2 4.25Å; T22-T65 HydrophobicContact CG2-CG2 3.45Å; T22-T65 VanDerWaalsContact CG2-CG2 3.45Å; T65-K67 VanDerWaalsContact C-N 3.29Å; T65-K67 PolarHBondContact O-N 3.14Å; T65-N68 PolarHBondContact O-N 3.49Å
66	S	95.7	Very high	96.2	Very high	102 Å²	102	55.8 Å²	55.8	71%	0.713	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-30.1	176.2	75.7	0	0	0	0	112	D64	D64-S66 VanDerWaalsContact C-N 3.27Å; D64-S66 PolarHBondContact O-N 3.31Å; D64-S66 WeakPolarHBondContact OD1-CB 3.23Å; D64-S66 PolarHBondContact OD1-N 2.89Å; D64-S66 PolarHBondContact OD1-OG 3.46Å
67	K	96.6	Very high	96.3	Very high	126 Å²	126	49.3 Å²	49.3	55%	0.548	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-3.5	179.1	-62.9	-179.4	-168.1	158.1	0	113.8	D64 T65 Q69	D64-K67 HydrophobicContact CB-CB 4.38Å; D64-K67 PolarHBondContact O-N 3.17Å; D64-K67 PolarHBondContact OD1-N 2.79Å; D64-K67 WeakPolarHBondContact OD2-CD 3.02Å; D64-K67 WeakPolarHBondContact OD2-CE 3.5Å; D64-K67 WeakPolarHBondContact OD2-CG 3.08Å; D64-K67 IonicContact OD2-NZ 3.64Å; D64-K67 PolarHBondContact OD2-NZ 3.49Å; T65-K67 VanDerWaalsContact C-N 3.29Å; T65-K67 PolarHBondContact O-N 3.14Å; K67-Q69 HydrophobicContact CB-CB 4.15Å; K67-Q69 HydrophobicContact CB-CG 4.1Å; K67-Q69 PolarHBondContact O-N 2.89Å
68	N	96.2	Very high	96.2	Very high	36 Å²	36	46.5 Å²	46.5	19%	0.193	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	41.9	-172.3	-157	41.9	0	0	0	112.6	V16 Y19 S20 I21 D64 T65	V16-N68 PolarHBondContact N-O 2.99Å; V16-N68 PolarHBondContact O-ND2 2.82Å; Y19-N68 PolarHBondContact O-ND2 3.39Å; S20-N68 WeakPolarHBondContact CA-OD1 3.33Å; I21-N68 WeakPolarHBondContact CG2-OD1 3.47Å; I21-N68 PolarHBondContact N-OD1 3.24Å; D64-N68 PolarHBondContact O-N 2.83Å; D64-N68 VanDerWaalsContact O-N 3.09Å; T65-N68 PolarHBondContact O-N 3.49Å
69	Q	97.2	Very high	96.1	Very high	42 Å²	42	48.1 Å²	48.1	20%	0.196	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	150.7	-175.2	-79.7	173.1	-5.6	0	0	111.8	T13 C14 S15 I21 R63 D64 K67 Y71	T13-Q69 HydrophobicContact CG2-CB 4.48Å; T13-Q69 HydrophobicContact CG2-CG 4.18Å; C14-Q69 WeakPolarHBondContact O-CA 3.16Å; S15-Q69 WeakPolarHBondContact OG-CG 3.35Å; S15-Q69 PolarHBondContact OG-NE2 3.04Å; I21-Q69 WeakPolarHBondContact CD1-O 3.24Å; R63-Q69 WeakPolarHBondContact CA-O 3.38Å; D64-Q69 PolarHBondContact N-O 2.92Å; D64-Q69 PolarHBondContact O-N 2.88Å; K67-Q69 HydrophobicContact CB-CB 4.15Å; K67-Q69 HydrophobicContact CB-CG 4.1Å; K67-Q69 PolarHBondContact O-N 2.89Å; Q69-Y71 HydrophobicContact CB-CE1 4.22Å; Q69-Y71 HydrophobicContact CB-CE2 4.27Å; Q69-Y71 WeakPolarHBondContact CB-OH 3.42Å; Q69-Y71 PolarHBondContact OE1-OH 2.84Å
70	Y	96.9	Very high	95.9	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.008	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	153.9	167.2	67.3	-76.7	0	0	0	110.9	C14 V16 I21 W26 W28 I43 T62 C87 A88	C14-Y70 HydrophobicContact CB-CD1 3.93Å; C14-Y70 HydrophobicContact CB-CD2 4.43Å; C14-Y70 HydrophobicContact CB-CE1 3.51Å; C14-Y70 HydrophobicContact CB-CE2 4.05Å; C14-Y70 HydrophobicContact CB-CG 4.39Å; C14-Y70 PolarHBondContact N-O 3Å; C14-Y70 PolarHBondContact O-N 2.86Å; C14-Y70 WeakPolarHBondContact SG-CE1 3.22Å; C14-Y70 PolarHBondContact SG-OH 3.02Å; C14-Y70 VanDerWaalsContact SG-OH 3.42Å; V16-Y70 HydrophobicContact CG2-CD1 4.08Å; V16-Y70 HydrophobicContact CG2-CE1 3.69Å; I21-Y70 HydrophobicContact CG2-CD1 4.28Å; W26-Y70 HydrophobicContact CB-CD1 4.11Å; W26-Y70 HydrophobicContact CB-CD2 4.01Å; W26-Y70 HydrophobicContact CB-CE1 3.88Å; W26-Y70 HydrophobicContact CB-CE2 3.8Å; W26-Y70 HydrophobicContact CB-CG 4.15Å; W26-Y70 HydrophobicContact CD2-CE1 4.04Å; W26-Y70 AromaticContact CE3-CE1 3.69Å; W26-Y70 HydrophobicContact CE3-CE1 3.69Å; W26-Y70 HydrophobicContact CG-CD1 4.33Å; W26-Y70 HydrophobicContact CG-CE1 4.13Å; W28-Y70 AromaticContact CD1-CE2 3.95Å; W28-Y70 HydrophobicContact CD2-CE2 4.45Å; W28-Y70 AromaticContact CE2-CD2 3.93Å; W28-Y70 AromaticContact CE2-CE2 3.73Å; W28-Y70 HydrophobicContact CZ2-CD2 4.25Å; W28-Y70 HydrophobicContact CZ2-CE2 4.13Å; W28-Y70 AromaticContact NE1-CD2 3.31Å; W28-Y70 VanDerWaalsContact NE1-CD2 3.31Å; W28-Y70 AromaticContact NE1-CE2 3.38Å; I43-Y70 HydrophobicContact CG2-CD2 4.46Å; T62-Y70 CarbonylContact O-C 3.56Å; T62-Y70 VanDerWaalsContact O-CA 3.31Å; T62-Y70 WeakPolarHBondContact O-CA 3.43Å; T62-Y70 WeakPolarHBondContact O-CB 3.47Å; Y70-C87 HydrophobicContact CE2-CB 4.09Å; Y70-C87 WeakPolarHBondContact OH-CA 3.49Å; Y70-C87 WeakPolarHBondContact OH-CB 3.43Å; Y70-A88 PolarHBondContact OH-N 3.09Å
71	Y	97.3	Very high	95.8	Very high	43 Å²	43	53.1 Å²	53.1	17%	0.169	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	147.9	-165.2	-47.2	-84.5	0	0	0	110.6	L12 T13 I61 T62 D64 Q69	L12-Y71 CarbonylContact O-C 3.56Å; L12-Y71 WeakPolarHBondContact O-CA 3.42Å; T13-Y71 HydrophobicContact CG2-CD1 3.82Å; T13-Y71 HydrophobicContact CG2-CE1 3.5Å; T13-Y71 VanDerWaalsContact OG1-CD1 3.31Å; T13-Y71 WeakPolarHBondContact OG1-CD1 3.25Å; T13-Y71 WeakPolarHBondContact OG1-CE1 3.5Å; I61-Y71 WeakPolarHBondContact CA-O 3.37Å; I61-Y71 WeakPolarHBondContact CG2-O 3.38Å; T62-Y71 PolarHBondContact N-O 3.2Å; T62-Y71 VanDerWaalsContact N-O 3.11Å; T62-Y71 PolarHBondContact O-N 2.95Å; D64-Y71 HydrophobicContact CB-CE2 3.79Å; Q69-Y71 HydrophobicContact CB-CE1 4.22Å; Q69-Y71 HydrophobicContact CB-CE2 4.27Å; Q69-Y71 WeakPolarHBondContact CB-OH 3.42Å; Q69-Y71 PolarHBondContact OE1-OH 2.84Å
72	L	97.9	Very high	95.7	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.01	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	122.5	168.2	169.8	68.4	0	0	0	108.2	S11 L12 W28 M40 I59 I61 Y85	S11-L72 CarbonylContact C-O 3.48Å; S11-L72 WeakPolarHBondContact CA-O 3.1Å; L12-L72 HydrophobicContact CB-CB 4.36Å; L12-L72 HydrophobicContact CD1-CD2 4.2Å; L12-L72 PolarHBondContact N-O 3.42Å; L12-L72 PolarHBondContact O-N 2.84Å; W28-L72 HydrophobicContact CB-CD2 4.12Å; W28-L72 HydrophobicContact CD2-CB 3.64Å; W28-L72 HydrophobicContact CD2-CD2 3.86Å; W28-L72 HydrophobicContact CD2-CG 4.34Å; W28-L72 VanDerWaalsContact CE2-CB 3.43Å; W28-L72 HydrophobicContact CE3-CB 4.25Å; W28-L72 HydrophobicContact CE3-CD2 3.94Å; W28-L72 HydrophobicContact CG-CB 3.88Å; W28-L72 HydrophobicContact CG-CD1 4.49Å; W28-L72 HydrophobicContact CG-CD2 3.95Å; W28-L72 HydrophobicContact CG-CG 4.34Å; W28-L72 HydrophobicContact CH2-CB 4.45Å; W28-L72 HydrophobicContact CZ2-CB 3.87Å; M40-L72 HydrophobicContact CE-CD1 4.22Å; M40-L72 HydrophobicContact CE-CD2 3.69Å; M40-L72 HydrophobicContact SD-CD2 3.66Å; I59-L72 HydrophobicContact CB-CD1 4.17Å; I59-L72 HydrophobicContact CG2-CD1 4.3Å; I61-L72 HydrophobicContact CG1-CD1 3.98Å; L72-Y85 HydrophobicContact CD2-CD1 4Å; L72-Y85 HydrophobicContact CD2-CE1 4.38Å
73	Q	97.1	Very high	95.7	Very high	82 Å²	82	51.4 Å²	51.4	38%	0.383	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	126.3	167.9	-167.7	177.2	26.3	0	0	108.3	T9 L10 I59 S60	T9-Q73 HydrophobicContact CG2-CG 3.33Å; L10-Q73 CarbonylContact O-C 3.51Å; L10-Q73 WeakPolarHBondContact O-CA 3.43Å; I59-Q73 CarbonylContact C-O 3.56Å; I59-Q73 VanDerWaalsContact CA-O 3.27Å; I59-Q73 WeakPolarHBondContact CA-O 3.43Å; S60-Q73 PolarHBondContact N-O 2.82Å; S60-Q73 PolarHBondContact O-N 3.42Å
74	L	96.2	Very high	95.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	113.3	173.9	174.9	66.3	0	0	0	108.3	T9 L10 R58 I59 V77 D81 Y85	T9-L74 WeakPolarHBondContact CA-O 3.43Å; L10-L74 HydrophobicContact CB-CB 4.38Å; L10-L74 PolarHBondContact N-O 2.85Å; L10-L74 PolarHBondContact O-N 2.99Å; R58-L74 HydrophobicContact CB-CD1 3.91Å; I59-L74 HydrophobicContact CG2-CD1 3.53Å; L74-V77 HydrophobicContact CB-CG1 4.48Å; L74-V77 HydrophobicContact CD2-CG1 3.96Å; L74-V77 HydrophobicContact CG-CG1 3.94Å; L74-D81 HydrophobicContact CD2-CB 4.01Å; L74-Y85 HydrophobicContact CD2-CE1 4.49Å
75	N	95.1	Very high	95.8	Very high	51 Å²	51	47.5 Å²	47.5	27%	0.273	26%	0.26	S	S	.	.			trans	-88.3	152.1	-177.8	-63.3	-42.7	0	0	0	111.6	T9 R58 V77	T9-N75 WeakPolarHBondContact CG2-OD1 3.26Å; T9-N75 PolarHBondContact OG1-OD1 2.85Å; R58-N75 PolarHBondContact O-N 2.91Å; N75-V77 PolarHBondContact O-N 3.42Å
76	S	93.1	Very high	95.8	Very high	72 Å²	72	46 Å²	46	50%	0.503	25%	0.246	S	C	.	.	S	Bend	trans	52.2	57.4	176.2	-54	0	0	0	0	111.8	Q8 R58	Q8-S76 PolarHBondContact O-N 3.08Å; R58-S76 PolarHBondContact NH1-O 2.87Å; R58-S76 VanDerWaalsContact NH1-O 3.16Å
77	V	94.4	Very high	95.8	Very high	1 Å²	1	42 Å²	42	1%	0.006	22%	0.218	C	C	.	.			trans	-64.9	141.9	-178.8	-61.6	0	0	0	0	111.4	A4 K5 P6 S7 Q8 L10 L74 N75 D81 V107	A4-V77 HydrophobicContact CB-CG2 4.37Å; K5-V77 WeakPolarHBondContact O-CG2 3.32Å; P6-V77 WeakPolarHBondContact CA-O 3.46Å; S7-V77 PolarHBondContact N-O 2.91Å; Q8-V77 WeakPolarHBondContact O-CG2 3.03Å; Q8-V77 PolarHBondContact O-N 3.38Å; Q8-V77 VanDerWaalsContact O-N 3.09Å; L10-V77 HydrophobicContact CB-CG1 3.75Å; L74-V77 HydrophobicContact CB-CG1 4.48Å; L74-V77 HydrophobicContact CD2-CG1 3.96Å; L74-V77 HydrophobicContact CG-CG1 3.94Å; N75-V77 PolarHBondContact O-N 3.42Å; V77-D81 VanDerWaalsContact CA-OD2 3.29Å; V77-D81 WeakPolarHBondContact CA-OD2 3.46Å; V77-D81 HydrophobicContact CB-CB 4.44Å; V77-V107 HydrophobicContact CB-CG2 4.26Å; V77-V107 HydrophobicContact CG2-CG1 4.08Å; V77-V107 HydrophobicContact CG2-CG2 4.17Å
78	T	94.1	Very high	95.7	Very high	55 Å²	55	36 Å²	36	34%	0.337	19%	0.193	S	C	.	.			trans	-118.3	171.6	174.3	68.4	0	0	0	0	110.1	E80 D81 V107	T78-E80 PolarHBondContact O-N 2.86Å; T78-E80 WeakPolarHBondContact OG1-CB 3.04Å; T78-E80 PolarHBondContact OG1-N 3.11Å; T78-D81 PolarHBondContact N-OD2 3.01Å; T78-D81 WeakPolarHBondContact O-CB 3.42Å; T78-D81 PolarHBondContact O-N 2.83Å; T78-V107 WeakPolarHBondContact O-CB 3.44Å; T78-V107 WeakPolarHBondContact O-CG1 3.38Å; T78-V107 WeakPolarHBondContact O-CG2 3.36Å
79	T	93.1	Very high	95.6	Very high	88 Å²	88	35.2 Å²	35.2	54%	0.54	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-57.5	-29.5	174.5	52.3	0	0	0	0	112.3	D81 T82	T79-D81 PolarHBondContact O-N 3.5Å; T79-T82 VanDerWaalsContact O-CB 3.26Å; T79-T82 WeakPolarHBondContact O-CB 3.33Å; T79-T82 PolarHBondContact O-N 3.41Å; T79-T82 VanDerWaalsContact O-N 3.14Å; T79-T82 PolarHBondContact O-OG1 2.78Å
80	E	92.4	Very high	95.1	Very high	151 Å²	151	34.1 Å²	34.1	71%	0.706	18%	0.182	S	C	*	.	G	3₁₀ helix	trans	-65.3	-20.8	174.6	-57.7	177.9	171.7	0	0	113.1	F32 T78 T82	F32-E80 VanDerWaalsContact CE1-O 3.25Å; F32-E80 WeakPolarHBondContact CE1-O 3.35Å; T78-E80 PolarHBondContact O-N 2.86Å; T78-E80 WeakPolarHBondContact OG1-CB 3.04Å; T78-E80 PolarHBondContact OG1-N 3.11Å; E80-T82 PolarHBondContact O-N 2.75Å
81	D	94.6	Very high	94.2	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-82.3	3.6	176.4	-61.1	-50.6	0	0	0	112.6	R30 R58 L74 V77 T78 T79 A83 Y85	R30-D81 IonicContact CZ-OD1 3.07Å; R30-D81 IonicContact NH1-OD1 2.68Å; R30-D81 PolarHBondContact NH1-OD1 2.67Å; R30-D81 IonicContact NH2-OD1 2.67Å; R58-D81 IonicContact CZ-OD1 3.55Å; R58-D81 IonicContact CZ-OD2 2.74Å; R58-D81 IonicContact NH1-OD1 2.63Å; R58-D81 IonicContact NH1-OD2 2.86Å; R58-D81 PolarHBondContact NH1-OD2 2.93Å; R58-D81 IonicContact NH2-OD1 3.36Å; R58-D81 PolarHBondContact NH2-OD1 2.87Å; R58-D81 IonicContact NH2-OD2 3.67Å; L74-D81 HydrophobicContact CD2-CB 4.01Å; V77-D81 VanDerWaalsContact CA-OD2 3.29Å; V77-D81 WeakPolarHBondContact CA-OD2 3.46Å; V77-D81 HydrophobicContact CB-CB 4.44Å; T78-D81 PolarHBondContact N-OD2 3.01Å; T78-D81 WeakPolarHBondContact O-CB 3.42Å; T78-D81 PolarHBondContact O-N 2.83Å; T79-D81 PolarHBondContact O-N 3.5Å; D81-A83 PolarHBondContact O-N 2.74Å; D81-A83 VanDerWaalsContact O-N 3.13Å; D81-Y85 PolarHBondContact O-OH 3.21Å
82	T	95.7	Very high	92.6	Very high	33 Å²	33	44.4 Å²	44.4	20%	0.202	23%	0.225	C	C	.	.			trans	-64.8	109.5	171.7	-66	0	0	0	0	110.4	T79 E80 V105 T106 V107	T79-T82 VanDerWaalsContact O-CB 3.26Å; T79-T82 WeakPolarHBondContact O-CB 3.33Å; T79-T82 PolarHBondContact O-N 3.41Å; T79-T82 VanDerWaalsContact O-N 3.14Å; T79-T82 PolarHBondContact O-OG1 2.78Å; E80-T82 PolarHBondContact O-N 2.75Å; T82-V105 WeakPolarHBondContact CA-O 3.18Å; T82-T106 HydrophobicContact CG2-CG2 4.4Å; T82-V107 PolarHBondContact OG1-N 3.04Å
83	A	96.9	Very high	91	Very high	3 Å²	3	53.2 Å²	53.2	3%	0.025	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	169.1	-175.1	0	0	0	0	0	111.3	R30 K31 F32 D81 Y85 V105	R30-A83 HydrophobicContact CB-CB 3.97Å; R30-A83 HydrophobicContact CG-CB 4.43Å; K31-A83 WeakPolarHBondContact O-CA 3.2Å; K31-A83 WeakPolarHBondContact O-CB 3.43Å; F32-A83 HydrophobicContact CD1-CB 3.97Å; F32-A83 HydrophobicContact CE1-CB 4.18Å; D81-A83 PolarHBondContact O-N 2.74Å; D81-A83 VanDerWaalsContact O-N 3.13Å; A83-Y85 HydrophobicContact CB-CD2 4.39Å; A83-Y85 HydrophobicContact CB-CE2 3.87Å; A83-Y85 WeakPolarHBondContact O-CD2 3.35Å; A83-V105 PolarHBondContact N-O 3Å; A83-V105 VanDerWaalsContact N-O 3.14Å; A83-V105 PolarHBondContact O-N 2.59Å
84	T	97.6	Very high	89.7	Confident	26 Å²	26	59.5 Å²	59.5	16%	0.16	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	121.8	162.8	-54.5	0	0	0	0	109.4	R30 K31 Y86 T103 T104	R30-T84 CarbonylContact C-O 3.6Å; R30-T84 WeakPolarHBondContact CA-O 3.16Å; K31-T84 PolarHBondContact N-O 2.68Å; K31-T84 PolarHBondContact O-N 2.89Å; T84-Y86 HydrophobicContact CG2-CD2 4.33Å; T84-Y86 HydrophobicContact CG2-CE1 4.14Å; T84-Y86 HydrophobicContact CG2-CE2 3.52Å; T84-Y86 VanDerWaalsContact CG2-CZ 3.42Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.33Å; T84-Y86 WeakPolarHBondContact O-CD2 3.15Å; T84-Y86 WeakPolarHBondContact O-CE2 3.49Å; T84-T103 WeakPolarHBondContact CA-O 3.48Å; T84-T104 PolarHBondContact OG1-OG1 3.44Å
85	Y	97.6	Very high	88.7	Confident	2 Å²	2	68 Å²	68	1%	0.008	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	124	-176.5	-68.2	-100.7	0	0	0	109.8	L10 L12 R30 M40 L72 L74 D81 A83 G102 T103 V105	L10-Y85 HydrophobicContact CD2-CE2 4.23Å; L12-Y85 VanDerWaalsContact CD1-CB 3.41Å; L12-Y85 HydrophobicContact CD1-CD1 3.65Å; L12-Y85 HydrophobicContact CD1-CD2 4.03Å; L12-Y85 HydrophobicContact CD1-CE1 4.43Å; L12-Y85 HydrophobicContact CD1-CG 3.42Å; L12-Y85 VanDerWaalsContact CD1-CG 3.42Å; R30-Y85 HydrophobicContact CB-CD1 3.83Å; R30-Y85 HydrophobicContact CB-CE1 3.88Å; R30-Y85 HydrophobicContact CB-CG 4.28Å; R30-Y85 HydrophobicContact CG-CE1 4.45Å; R30-Y85 PolarHBondContact NH1-OH 2.87Å; M40-Y85 HydrophobicContact CE-CD1 4.43Å; M40-Y85 HydrophobicContact CE-CE1 3.89Å; M40-Y85 HydrophobicContact SD-CD1 3.72Å; M40-Y85 HydrophobicContact SD-CE1 3.66Å; L72-Y85 HydrophobicContact CD2-CD1 4Å; L72-Y85 HydrophobicContact CD2-CE1 4.38Å; L74-Y85 HydrophobicContact CD2-CE1 4.49Å; D81-Y85 PolarHBondContact O-OH 3.21Å; A83-Y85 HydrophobicContact CB-CD2 4.39Å; A83-Y85 HydrophobicContact CB-CE2 3.87Å; A83-Y85 WeakPolarHBondContact O-CD2 3.35Å; Y85-G102 CarbonylContact O-C 3.56Å; Y85-G102 VanDerWaalsContact O-CA 3.24Å; Y85-G102 WeakPolarHBondContact O-CA 3.45Å; Y85-T103 PolarHBondContact N-O 3.05Å; Y85-T103 PolarHBondContact O-N 3.28Å; Y85-V105 HydrophobicContact CD2-CB 4.16Å; Y85-V105 HydrophobicContact CD2-CG2 3.96Å; Y85-V105 HydrophobicContact CE2-CB 3.95Å; Y85-V105 HydrophobicContact CE2-CG2 4.19Å
86	Y	97.2	Very high	88	Confident	47 Å²	47	69.1 Å²	69.1	18%	0.184	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	143.7	-179.4	-61.1	-90.5	0	0	0	109.8	W28 I29 K31 T84 W99 G100	W28-Y86 WeakPolarHBondContact CA-O 3.37Å; I29-Y86 PolarHBondContact N-O 3.06Å; I29-Y86 WeakPolarHBondContact O-CA 3.43Å; I29-Y86 PolarHBondContact O-N 3.07Å; K31-Y86 HydrophobicContact CB-CD2 4.26Å; K31-Y86 HydrophobicContact CB-CE2 3.61Å; K31-Y86 HydrophobicContact CD-CE2 4.23Å; T84-Y86 HydrophobicContact CG2-CD2 4.33Å; T84-Y86 HydrophobicContact CG2-CE1 4.14Å; T84-Y86 HydrophobicContact CG2-CE2 3.52Å; T84-Y86 VanDerWaalsContact CG2-CZ 3.42Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.33Å; T84-Y86 WeakPolarHBondContact O-CD2 3.15Å; T84-Y86 WeakPolarHBondContact O-CE2 3.49Å; Y86-W99 HydrophobicContact CD1-CE3 4.4Å; Y86-W99 HydrophobicContact CG-CE3 4.23Å; Y86-W99 HydrophobicContact CG-CZ3 4.37Å; Y86-G100 WeakPolarHBondContact CD1-O 3.31Å
87	C	95.6	Very high	87.6	Confident	19 Å²	19	69 Å²	69	13%	0.128	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	133.5	171.3	75.2	0	0	0	0	107.2	C14 N27 W28 Y70 G100	C14-C87 HydrophobicContact CB-CB 3.39Å; C14-C87 WeakPolarHBondContact CB-SG 3.49Å; C14-C87 WeakPolarHBondContact SG-CB 3.28Å; C14-C87 CovalentContact SG-SG 2.05Å; C14-C87 PolarHBondContact SG-SG 2.83Å; N27-C87 CarbonylContact O-C 3.48Å; N27-C87 WeakPolarHBondContact O-CA 3.27Å; W28-C87 HydrophobicContact CD2-CB 4.45Å; W28-C87 HydrophobicContact CE3-CB 4.16Å; W28-C87 HydrophobicContact CH2-CB 4.01Å; W28-C87 HydrophobicContact CZ2-CB 4.29Å; W28-C87 HydrophobicContact CZ3-CB 3.93Å; Y70-C87 HydrophobicContact CE2-CB 4.09Å; Y70-C87 WeakPolarHBondContact OH-CA 3.49Å; Y70-C87 WeakPolarHBondContact OH-CB 3.43Å; C87-G100 PolarHBondContact O-N 3.32Å
88	A	94.8	Very high	87.2	Confident	1 Å²	1	71.1 Å²	71.1	1%	0.008	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	141.1	-170.9	0	0	0	0	0	112.4	N27 I29 Y70 F96 V98 W99	N27-A88 WeakPolarHBondContact CB-O 3.4Å; N27-A88 PolarHBondContact N-O 2.9Å; N27-A88 PolarHBondContact ND2-O 3.24Å; N27-A88 PolarHBondContact O-N 2.85Å; I29-A88 HydrophobicContact CD1-CB 4.1Å; Y70-A88 PolarHBondContact OH-N 3.09Å; A88-F96 HydrophobicContact CB-CD1 3.8Å; A88-F96 HydrophobicContact CB-CE1 4.31Å; A88-V98 CarbonylContact C-O 3.54Å; A88-V98 VanDerWaalsContact CA-O 3.23Å; A88-V98 WeakPolarHBondContact CA-O 3.38Å; A88-W99 HydrophobicContact CB-CD2 4Å; A88-W99 HydrophobicContact CB-CE3 4.13Å; A88-W99 HydrophobicContact CB-CG 4.41Å; A88-W99 HydrophobicContact CB-CZ3 4.49Å
89	R	93	Very high	87.1	Confident	19 Å²	19	73.9 Å²	73.9	7%	0.072	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	134.9	172.2	-171.7	174.2	72.8	172.2	-12.3	109.9	D24 W26 F96 D97 V98	D24-R89 HydrophobicContact CB-CG 3.9Å; D24-R89 WeakPolarHBondContact OD2-CD 3.34Å; D24-R89 IonicContact OD2-NH1 3.61Å; D24-R89 PolarHBondContact OD2-NH1 3.17Å; W26-R89 HydrophobicContact CE3-CB 4.07Å; W26-R89 HydrophobicContact CE3-CG 4.38Å; W26-R89 HydrophobicContact CH2-CB 4.08Å; W26-R89 HydrophobicContact CH2-CG 3.97Å; W26-R89 HydrophobicContact CZ2-CG 4.28Å; W26-R89 HydrophobicContact CZ3-CB 3.67Å; W26-R89 HydrophobicContact CZ3-CG 4.02Å; R89-F96 VanDerWaalsContact O-CA 3.3Å; R89-F96 WeakPolarHBondContact O-CA 3.46Å; R89-F96 WeakPolarHBondContact O-CD1 3.49Å; R89-D97 IonicContact CZ-OD1 2.99Å; R89-D97 IonicContact CZ-OD2 3.38Å; R89-D97 IonicContact NE-OD1 3.32Å; R89-D97 PolarHBondContact NE-OD1 3.32Å; R89-D97 IonicContact NE-OD2 3.72Å; R89-D97 PolarHBondContact NE-OD2 3.5Å; R89-D97 IonicContact NH2-OD1 3.42Å; R89-D97 IonicContact NH2-OD2 3.77Å; R89-D97 PolarHBondContact NH2-OD2 3.33Å; R89-D97 PolarHBondContact O-N 3.49Å; R89-V98 HydrophobicContact CB-CB 3.95Å; R89-V98 PolarHBondContact N-O 3.35Å
90	L	87.3	Confident	87.1	Confident	19 Å²	19	71 Å²	71	10%	0.099	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	115.6	169.1	-178.9	72.1	0	0	0	108.6	Y25 N27 F96	Y25-L90 PolarHBondContact N-O 3.01Å; Y25-L90 PolarHBondContact O-N 3.33Å; N27-L90 WeakPolarHBondContact ND2-CB 3.49Å; N27-L90 PolarHBondContact ND2-N 2.84Å; L90-F96 HydrophobicContact CB-CD1 4.03Å; L90-F96 HydrophobicContact CB-CE1 3.85Å; L90-F96 HydrophobicContact CD1-CD1 4.08Å; L90-F96 HydrophobicContact CD1-CE1 4.02Å; L90-F96 HydrophobicContact CD1-CE2 4.45Å; L90-F96 HydrophobicContact CD1-CG 4.32Å; L90-F96 HydrophobicContact CD1-CZ 4.21Å; L90-F96 HydrophobicContact CG-CE1 4.4Å
91	L	78.1	Confident	87.1	Confident	57 Å²	57	70.7 Å²	70.7	30%	0.298	32%	0.322	S	S	.	.			trans	-71.6	157.6	172.6	-70.1	178.1	0	0	0	110.7	Y93 W94 Y95 D97	L91-Y93 PolarHBondContact O-N 3.37Å; L91-W94 PolarHBondContact O-N 2.87Å; L91-Y95 PolarHBondContact N-O 2.77Å; L91-D97 HydrophobicContact CD1-CB 4.29Å; L91-D97 WeakPolarHBondContact CD1-OD2 3.18Å
92	R	64.2	Low	87	Confident	204 Å²	204	71.7 Å²	71.7	77%	0.77	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-8.4	178.7	-156.9	172	-179.7	178.6	-0.7	115.3
93	Y	63.6	Low	87	Confident	186 Å²	186	73.1 Å²	73.1	73%	0.729	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	18.4	178.7	-59.1	-76.7	0	0	0	114.5	L91 Y95	L91-Y93 PolarHBondContact O-N 3.37Å; Y93-Y95 VanDerWaalsContact O-CD2 3.3Å; Y93-Y95 WeakPolarHBondContact O-CD2 3.31Å; Y93-Y95 WeakPolarHBondContact O-CE2 3.49Å
94	W	69.3	Low	86.9	Confident	215 Å²	215	76 Å²	76	81%	0.814	36%	0.359	S	S	*	.	S	Bend	trans	76.2	16.7	168	-49.2	101.4	0	0	0	118.1	L91	L91-W94 PolarHBondContact O-N 2.87Å
95	Y	74.6	Confident	86.8	Confident	178 Å²	178	74.8 Å²	74.8	70%	0.698	35%	0.351	S	S	*	.			trans	-110.6	138.7	174.1	-60.4	-78.4	0	0	0	112.3	L91 Y93 D97	L91-Y95 PolarHBondContact N-O 2.77Å; Y93-Y95 VanDerWaalsContact O-CD2 3.3Å; Y93-Y95 WeakPolarHBondContact O-CD2 3.31Å; Y93-Y95 WeakPolarHBondContact O-CE2 3.49Å; Y95-D97 PolarHBondContact O-N 3.09Å
96	F	81.6	Confident	86.6	Confident	75 Å²	75	77.7 Å²	77.7	33%	0.329	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	101.3	169.7	-66.7	-71.8	0	0	0	110	N27 I29 Y39 A88 R89 L90 W99	N27-F96 HydrophobicContact CB-CE1 3.75Å; N27-F96 HydrophobicContact CB-CZ 4.46Å; N27-F96 VanDerWaalsContact CG-CE1 3.49Å; I29-F96 HydrophobicContact CD1-CD1 4.44Å; I29-F96 HydrophobicContact CD1-CE1 4.11Å; I29-F96 HydrophobicContact CD1-CE2 4.25Å; I29-F96 HydrophobicContact CD1-CZ 4.01Å; Y39-F96 HydrophobicContact CE2-CZ 4.46Å; A88-F96 HydrophobicContact CB-CD1 3.8Å; A88-F96 HydrophobicContact CB-CE1 4.31Å; R89-F96 VanDerWaalsContact O-CA 3.3Å; R89-F96 WeakPolarHBondContact O-CA 3.46Å; R89-F96 WeakPolarHBondContact O-CD1 3.49Å; L90-F96 HydrophobicContact CB-CD1 4.03Å; L90-F96 HydrophobicContact CB-CE1 3.85Å; L90-F96 HydrophobicContact CD1-CD1 4.08Å; L90-F96 HydrophobicContact CD1-CE1 4.02Å; L90-F96 HydrophobicContact CD1-CE2 4.45Å; L90-F96 HydrophobicContact CD1-CG 4.32Å; L90-F96 HydrophobicContact CD1-CZ 4.21Å; L90-F96 HydrophobicContact CG-CE1 4.4Å; F96-W99 HydrophobicContact CB-CZ2 3.78Å; F96-W99 HydrophobicContact CD2-CZ2 4.2Å; F96-W99 HydrophobicContact CG-CZ2 4.03Å; F96-W99 PolarHBondContact O-NE1 3.08Å
97	D	83.6	Confident	86.2	Confident	70 Å²	70	75.7 Å²	75.7	37%	0.374	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-24.8	-172	69.6	-30.6	0	0	0	113.6	R89 L91 Y95	R89-D97 IonicContact CZ-OD1 2.99Å; R89-D97 IonicContact CZ-OD2 3.38Å; R89-D97 IonicContact NE-OD1 3.32Å; R89-D97 PolarHBondContact NE-OD1 3.32Å; R89-D97 IonicContact NE-OD2 3.72Å; R89-D97 PolarHBondContact NE-OD2 3.5Å; R89-D97 IonicContact NH2-OD1 3.42Å; R89-D97 IonicContact NH2-OD2 3.77Å; R89-D97 PolarHBondContact NH2-OD2 3.33Å; R89-D97 PolarHBondContact O-N 3.49Å; L91-D97 HydrophobicContact CD1-CB 4.29Å; L91-D97 WeakPolarHBondContact CD1-OD2 3.18Å; Y95-D97 PolarHBondContact O-N 3.09Å
98	V	86.4	Confident	85.7	Confident	45 Å²	45	80 Å²	80	27%	0.273	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	126.9	178	-177.4	0	0	0	0	110	Y19 A88 R89	Y19-V98 HydrophobicContact CE2-CG2 3.86Å; A88-V98 CarbonylContact C-O 3.54Å; A88-V98 VanDerWaalsContact CA-O 3.23Å; A88-V98 WeakPolarHBondContact CA-O 3.38Å; R89-V98 HydrophobicContact CB-CB 3.95Å; R89-V98 PolarHBondContact N-O 3.35Å
99	W	92.6	Very high	85.2	Confident	113 Å²	113	84 Å²	84	43%	0.428	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	136.3	177.2	-69.2	73.4	0	0	0	110.3	I29 Y86 A88 F96	I29-W99 HydrophobicContact CB-CZ3 4.23Å; I29-W99 HydrophobicContact CD1-CH2 3.27Å; I29-W99 HydrophobicContact CD1-CZ2 4Å; I29-W99 HydrophobicContact CD1-CZ3 3.62Å; I29-W99 HydrophobicContact CG1-CH2 4.46Å; I29-W99 HydrophobicContact CG2-CH2 4.37Å; I29-W99 HydrophobicContact CG2-CZ3 4.27Å; Y86-W99 HydrophobicContact CD1-CE3 4.4Å; Y86-W99 HydrophobicContact CG-CE3 4.23Å; Y86-W99 HydrophobicContact CG-CZ3 4.37Å; A88-W99 HydrophobicContact CB-CD2 4Å; A88-W99 HydrophobicContact CB-CE3 4.13Å; A88-W99 HydrophobicContact CB-CG 4.41Å; A88-W99 HydrophobicContact CB-CZ3 4.49Å; F96-W99 HydrophobicContact CB-CZ2 3.78Å; F96-W99 HydrophobicContact CD2-CZ2 4.2Å; F96-W99 HydrophobicContact CG-CZ2 4.03Å; F96-W99 PolarHBondContact O-NE1 3.08Å
100	G	92.3	Very high	84.8	Confident	26 Å²	26	87.4 Å²	87.4	27%	0.268	43%	0.429	S	S	.	.			trans	-68.3	161.3	166.9	0	0	0	0	0	111.3	Y86 C87 G102	Y86-G100 WeakPolarHBondContact CD1-O 3.31Å; C87-G100 PolarHBondContact O-N 3.32Å; G100-G102 PolarHBondContact O-N 2.78Å; G100-G102 VanDerWaalsContact O-N 3.08Å
101	T	92.2	Very high	84.7	Confident	146 Å²	146	91.2 Å²	91.2	90%	0.896	45%	0.448	S	S	*	.			trans	-63.5	-16	179.7	55.7	0	0	0	0	113.8
102	G	93.5	Very high	85.1	Confident	21 Å²	21	93.2 Å²	93.2	22%	0.216	46%	0.456	C	S	.	.			trans	84.3	149.7	-179	0	0	0	0	0	113.1	Y85 G100	Y85-G102 CarbonylContact O-C 3.56Å; Y85-G102 VanDerWaalsContact O-CA 3.24Å; Y85-G102 WeakPolarHBondContact O-CA 3.45Å; G100-G102 PolarHBondContact O-N 2.78Å; G100-G102 VanDerWaalsContact O-N 3.08Å
103	T	95.2	Very high	86.4	Confident	63 Å²	63	86.3 Å²	86.3	39%	0.387	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	114	176.1	-62.1	0	0	0	0	109.4	L12 T84 Y85 V105	L12-T103 HydrophobicContact CD2-CG2 4.1Å; T84-T103 WeakPolarHBondContact CA-O 3.48Å; Y85-T103 PolarHBondContact N-O 3.05Å; Y85-T103 PolarHBondContact O-N 3.28Å; T103-V105 HydrophobicContact CG2-CG2 4.28Å
104	T	95.8	Very high	87.9	Confident	64 Å²	64	79.6 Å²	79.6	39%	0.393	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	125.6	173.8	-51.4	0	0	0	0	110.2	P1 G2 T84	P1-T104 CarbonylContact C-O 3.55Å; P1-T104 WeakPolarHBondContact CA-O 2.87Å; G2-T104 PolarHBondContact N-O 2.76Å; T84-T104 PolarHBondContact OG1-OG1 3.44Å
105	V	94.3	Very high	89.3	Confident	1 Å²	1	69.9 Å²	69.9	1%	0.006	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	131.2	174.2	-179.9	0	0	0	0	108.7	G2 A4 L10 L12 T82 A83 Y85 T103 V107	G2-V105 WeakPolarHBondContact O-CA 3.42Å; A4-V105 HydrophobicContact CB-CG1 4.42Å; L10-V105 HydrophobicContact CD1-CG1 4.08Å; L10-V105 HydrophobicContact CD1-CG2 4.07Å; L10-V105 HydrophobicContact CD2-CB 4.39Å; L10-V105 HydrophobicContact CD2-CG1 4.04Å; L10-V105 HydrophobicContact CD2-CG2 4.1Å; L12-V105 HydrophobicContact CD2-CG2 4.22Å; T82-V105 WeakPolarHBondContact CA-O 3.18Å; A83-V105 PolarHBondContact N-O 3Å; A83-V105 VanDerWaalsContact N-O 3.14Å; A83-V105 PolarHBondContact O-N 2.59Å; Y85-V105 HydrophobicContact CD2-CB 4.16Å; Y85-V105 HydrophobicContact CD2-CG2 3.96Å; Y85-V105 HydrophobicContact CE2-CB 3.95Å; Y85-V105 HydrophobicContact CE2-CG2 4.19Å; T103-V105 HydrophobicContact CG2-CG2 4.28Å; V105-V107 HydrophobicContact CG1-CG2 4.47Å
106	T	93.1	Very high	90.4	Very high	62 Å²	62	61.6 Å²	61.6	38%	0.38	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	129.5	175.1	-57.1	0	0	0	0	108.9	G2 L3 A4 T82	G2-T106 PolarHBondContact O-N 3.03Å; L3-T106 WeakPolarHBondContact CA-O 3.35Å; L3-T106 HydrophobicContact CD1-CG2 4.44Å; A4-T106 PolarHBondContact N-O 2.7Å; T82-T106 HydrophobicContact CG2-CG2 4.4Å
107	V	89.9	Confident	91.1	Very high	6 Å²	6	60.5 Å²	60.5	4%	0.036	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	119.2	175.7	-173.2	0	0	0	0	108.3	A4 P6 V77 T78 T82 V105	A4-V107 HydrophobicContact CB-CG2 4.33Å; A4-V107 WeakPolarHBondContact O-CA 3.17Å; P6-V107 HydrophobicContact CG-CG1 4.18Å; V77-V107 HydrophobicContact CB-CG2 4.26Å; V77-V107 HydrophobicContact CG2-CG1 4.08Å; V77-V107 HydrophobicContact CG2-CG2 4.17Å; T78-V107 WeakPolarHBondContact O-CB 3.44Å; T78-V107 WeakPolarHBondContact O-CG1 3.38Å; T78-V107 WeakPolarHBondContact O-CG2 3.36Å; T82-V107 PolarHBondContact OG1-N 3.04Å; V105-V107 HydrophobicContact CG1-CG2 4.47Å
108	S	84.5	Confident	91.8	Very high	109 Å²	109	59.6 Å²	59.6	76%	0.762	37%	0.368	S	S	*	.			trans	-145.2	0	-177.2	64.8	0	0	0	0	112	A4	A4-S108 PolarHBondContact O-N 2.93Å

Retrieved 108 of 108 residues in 22.9 ms (Link to these results)

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