X5J5A0_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5A0, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 110 aa.

						>X5J5A0_MOUSE|X5J5A0
PGLVKPSQTVSLTCTVTGISITTGNYRWSWIRQFPGNKLEWIGYIYYSGTITYNPSLTSRTTITRDTSKNQFFLEMNSLTAEDTATYYCARNWDDYFDYWGQGTTLTVSS
					

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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	62.3	Low	88.3	Confident	95 Å²	95	75.1 Å²	75.1	62%	0.617	45%	0.449	S	S	*	.				0	144.5	0	-19	36.5	0	0	0	109.2	L12 T104 T105 L106	P1-L12 HydrophobicContact CB-CD2 4.04Å; P1-L12 HydrophobicContact CG-CD2 3.47Å; P1-L12 VanDerWaalsContact CG-CD2 3.47Å; P1-T104 HydrophobicContact CB-CG2 3.83Å; P1-T104 HydrophobicContact CG-CG2 3.17Å; P1-T105 CarbonylContact C-O 3.58Å; P1-T105 VanDerWaalsContact C-O 3.31Å; P1-L106 HydrophobicContact CB-CD1 4.13Å
2	G	82.6	Confident	88.9	Confident	37 Å²	37	69.3 Å²	69.3	38%	0.381	41%	0.414	S	S	.	.			trans	-150.4	-134.4	-171.3	0	0	0	0	0	108.2	V4 T107	G2-V4 PolarHBondContact O-N 3.38Å; G2-T107 PolarHBondContact O-N 3.05Å; G2-T107 VanDerWaalsContact O-N 3.16Å
3	L	88.2	Confident	89.5	Confident	130 Å²	130	69.5 Å²	69.5	68%	0.681	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	124.1	179.4	-161.8	65.9	0	0	0	111.1	T107 S109	L3-T107 CarbonylContact C-O 3.31Å; L3-T107 WeakPolarHBondContact CA-O 3.29Å; L3-T107 HydrophobicContact CD1-CG2 3.79Å; L3-S109 WeakPolarHBondContact CD1-OG 3.38Å
4	V	90.8	Very high	90.1	Very high	23 Å²	23	65.4 Å²	65.4	14%	0.139	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	153.5	174.9	-62.4	0	0	0	0	109.9	G2 L79 L106 T107 V108 S109	G2-V4 PolarHBondContact O-N 3.38Å; V4-L79 HydrophobicContact CG2-CD1 3.79Å; V4-L106 HydrophobicContact CB-CD1 4.45Å; V4-L106 HydrophobicContact CG1-CD1 3.86Å; V4-L106 HydrophobicContact CG2-CD1 3.67Å; V4-L106 HydrophobicContact CG2-CG 4.13Å; V4-T107 WeakPolarHBondContact CG2-O 3.19Å; V4-T107 PolarHBondContact N-O 3.03Å; V4-V108 HydrophobicContact CG2-CB 4.23Å; V4-V108 HydrophobicContact CG2-CG1 4.35Å; V4-V108 HydrophobicContact CG2-CG2 3.72Å; V4-V108 WeakPolarHBondContact O-CA 3.16Å; V4-S109 PolarHBondContact O-N 3.28Å
5	K	90	Very high	90.5	Very high	129 Å²	129	66.3 Å²	66.3	56%	0.561	40%	0.398	S	S	*	.			trans	-87.8	154.5	177.7	-67	-174.1	177.6	-173.9	0	110.9	Q8	K5-Q8 HydrophobicContact CB-CG 4.2Å; K5-Q8 WeakPolarHBondContact O-CB 3.46Å; K5-Q8 WeakPolarHBondContact O-CG 3.37Å; K5-Q8 PolarHBondContact O-N 3.2Å
6	P	91.9	Very high	90.7	Very high	58 Å²	58	63.3 Å²	63.3	38%	0.377	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	154.3	171	-24.9	34.3	0	0	0	112.7	Q8 L79 V108	P6-Q8 PolarHBondContact O-N 2.82Å; P6-Q8 VanDerWaalsContact O-N 3.12Å; P6-L79 CarbonylContact C-O 3.57Å; P6-L79 WeakPolarHBondContact CA-O 3.27Å; P6-V108 HydrophobicContact CG-CG1 4.29Å
7	S	90.4	Very high	90.8	Very high	100 Å²	100	66.8 Å²	66.8	70%	0.699	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	2.1	-178.7	-51.2	0	0	0	0	115.7	L79	S7-L79 PolarHBondContact N-O 3.37Å
8	Q	91.6	Very high	90.8	Very high	88 Å²	88	67.8 Å²	67.8	41%	0.411	43%	0.428	S	S	.	.			trans	-77.3	158.4	172.7	-66.4	-170.4	-42.8	0	0	111.6	K5 P6 L79	K5-Q8 HydrophobicContact CB-CG 4.2Å; K5-Q8 WeakPolarHBondContact O-CB 3.46Å; K5-Q8 WeakPolarHBondContact O-CG 3.37Å; K5-Q8 PolarHBondContact O-N 3.2Å; P6-Q8 PolarHBondContact O-N 2.82Å; P6-Q8 VanDerWaalsContact O-N 3.12Å; Q8-L79 VanDerWaalsContact O-CG 3.29Å; Q8-L79 WeakPolarHBondContact O-CG 3.45Å; Q8-L79 PolarHBondContact O-N 2.89Å
9	T	93.3	Very high	90.8	Very high	81 Å²	81	67.4 Å²	67.4	50%	0.497	42%	0.422	S	S	.	.			trans	-99.2	137.9	167.7	-65.5	0	0	0	0	109.3	E75 M76 N77	T9-E75 HydrophobicContact CG2-CG 3.81Å; T9-M76 VanDerWaalsContact CA-O 3.31Å; T9-M76 WeakPolarHBondContact CA-O 3.5Å; T9-N77 WeakPolarHBondContact CB-OD1 3.37Å; T9-N77 WeakPolarHBondContact CG2-OD1 3.33Å; T9-N77 PolarHBondContact OG1-OD1 3.15Å
10	V	94.1	Very high	90.8	Very high	22 Å²	22	66.1 Å²	66.1	13%	0.133	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	144.1	171.6	74.3	0	0	0	0	110.1	L12 E75 M76 L79 L106	V10-L12 HydrophobicContact CG2-CD2 4.3Å; V10-E75 WeakPolarHBondContact O-CA 3.4Å; V10-M76 HydrophobicContact CG1-CB 4.22Å; V10-M76 HydrophobicContact CG1-CE 3.55Å; V10-M76 PolarHBondContact N-O 3.16Å; V10-M76 PolarHBondContact O-N 2.98Å; V10-L79 HydrophobicContact CB-CD1 4.02Å; V10-L79 HydrophobicContact CG1-CD1 3.79Å; V10-L79 HydrophobicContact CG1-CD2 4.32Å; V10-L106 HydrophobicContact CG1-CD1 4.48Å; V10-L106 HydrophobicContact CG1-CD2 3.92Å; V10-L106 HydrophobicContact CG2-CD1 4.29Å
11	S	95.6	Very high	91	Very high	63 Å²	63	63 Å²	63	44%	0.441	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	122.2	169.1	-171.7	0	0	0	0	109.1	L74	S11-L74 WeakPolarHBondContact CA-O 3.42Å
12	L	96.4	Very high	92.5	Very high	5 Å²	5	61 Å²	61	3%	0.026	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	136.6	173.7	-57.4	-178.8	0	0	0	108.9	P1 V10 W30 F73 L74 M76 Y87 T104	P1-L12 HydrophobicContact CB-CD2 4.04Å; P1-L12 HydrophobicContact CG-CD2 3.47Å; P1-L12 VanDerWaalsContact CG-CD2 3.47Å; V10-L12 HydrophobicContact CG2-CD2 4.3Å; L12-W30 HydrophobicContact CB-CH2 3.79Å; L12-W30 HydrophobicContact CB-CZ2 4.42Å; L12-W30 HydrophobicContact CB-CZ3 4.09Å; L12-W30 HydrophobicContact CD1-CZ3 4.44Å; L12-F73 CarbonylContact O-C 3.58Å; L12-F73 WeakPolarHBondContact O-CA 3.36Å; L12-L74 HydrophobicContact CB-CB 4.36Å; L12-L74 HydrophobicContact CD1-CD2 4.28Å; L12-L74 PolarHBondContact N-O 2.92Å; L12-L74 PolarHBondContact O-N 3.01Å; L12-M76 HydrophobicContact CD1-CE 3.83Å; L12-M76 HydrophobicContact CG-CE 4.31Å; L12-Y87 VanDerWaalsContact CD1-CB 3.47Å; L12-Y87 HydrophobicContact CD1-CD1 3.67Å; L12-Y87 HydrophobicContact CD1-CD2 4.03Å; L12-Y87 HydrophobicContact CD1-CE1 4.4Å; L12-Y87 HydrophobicContact CD1-CG 3.45Å; L12-Y87 VanDerWaalsContact CD1-CG 3.45Å; L12-T104 HydrophobicContact CD2-CG2 4.39Å
13	T	96.9	Very high	92.7	Very high	73 Å²	73	62.4 Å²	62.4	45%	0.448	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	132.5	180	-53.8	0	0	0	0	110.1	Q71 F73	T13-Q71 HydrophobicContact CG2-CB 4.44Å; T13-Q71 HydrophobicContact CG2-CG 4.17Å; T13-F73 HydrophobicContact CG2-CD1 3.85Å; T13-F73 HydrophobicContact CG2-CE1 3.44Å; T13-F73 VanDerWaalsContact CG2-CE1 3.44Å; T13-F73 HydrophobicContact CG2-CZ 4.28Å; T13-F73 WeakPolarHBondContact OG1-CD1 3.36Å; T13-F73 WeakPolarHBondContact OG1-CE1 3.44Å
14	C	96.6	Very high	92.4	Very high	12 Å²	12	57.8 Å²	57.8	8%	0.081	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	121.9	164.7	-173.2	0	0	0	0	109.2	W30 Q71 F72 C89	C14-W30 HydrophobicContact CB-CH2 3.87Å; C14-W30 HydrophobicContact CB-CZ2 3.88Å; C14-Q71 VanDerWaalsContact O-CA 3.3Å; C14-Q71 WeakPolarHBondContact O-CA 3.49Å; C14-F72 HydrophobicContact CB-CD1 3.99Å; C14-F72 HydrophobicContact CB-CD2 4.3Å; C14-F72 HydrophobicContact CB-CE1 3.62Å; C14-F72 HydrophobicContact CB-CE2 3.95Å; C14-F72 HydrophobicContact CB-CG 4.34Å; C14-F72 HydrophobicContact CB-CZ 3.63Å; C14-F72 PolarHBondContact N-O 2.82Å; C14-F72 PolarHBondContact O-N 2.78Å; C14-F72 WeakPolarHBondContact SG-CE1 3.49Å; C14-F72 VanDerWaalsContact SG-CZ 3.53Å; C14-C89 HydrophobicContact CB-CB 3.4Å; C14-C89 WeakPolarHBondContact CB-SG 3.41Å; C14-C89 WeakPolarHBondContact SG-CB 3.33Å; C14-C89 CovalentContact SG-SG 2.04Å; C14-C89 PolarHBondContact SG-SG 3.1Å
15	T	96.4	Very high	92.4	Very high	78 Å²	78	60.1 Å²	60.1	48%	0.479	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	123.8	174.1	-56	0	0	0	0	108.6	Q71	T15-Q71 HydrophobicContact CG2-CG 4.1Å; T15-Q71 WeakPolarHBondContact OG1-CG 3.43Å; T15-Q71 PolarHBondContact OG1-NE2 2.89Å
16	V	94.6	Very high	92.4	Very high	18 Å²	18	56.2 Å²	56.2	11%	0.109	36%	0.361	C	S	.	.			trans	-95.5	134.9	177.8	179.6	0	0	0	0	109.1	I19 I21 W28 N70 F72	V16-I19 HydrophobicContact CG1-CG1 3.9Å; V16-I19 WeakPolarHBondContact CG1-O 3.45Å; V16-I21 HydrophobicContact CB-CG2 3.72Å; V16-I21 HydrophobicContact CG1-CG2 4.23Å; V16-I21 HydrophobicContact CG2-CG2 3.5Å; V16-W28 HydrophobicContact CB-CH2 4.42Å; V16-W28 HydrophobicContact CG1-CH2 3.6Å; V16-W28 HydrophobicContact CG1-CZ2 4.3Å; V16-W28 HydrophobicContact CG1-CZ3 4.06Å; V16-W28 HydrophobicContact CG2-CE3 4.06Å; V16-W28 HydrophobicContact CG2-CH2 3.97Å; V16-W28 HydrophobicContact CG2-CZ3 3.69Å; V16-N70 PolarHBondContact N-O 3.38Å; V16-N70 PolarHBondContact O-ND2 3.15Å; V16-F72 HydrophobicContact CG2-CD1 4.2Å; V16-F72 HydrophobicContact CG2-CE1 3.74Å
17	T	92.5	Very high	92.5	Very high	123 Å²	123	56.1 Å²	56.1	76%	0.755	35%	0.353	S	S	*	.			trans	-121	144.8	178.1	56.4	0	0	0	0	110.2	I19	T17-I19 VanDerWaalsContact C-N 3.3Å; T17-I19 PolarHBondContact O-N 3.38Å
18	G	89.8	Confident	92.7	Very high	85 Å²	85	52 Å²	52	88%	0.876	32%	0.322	S	S	*	.	S	Bend	trans	86.7	-23.4	175.3	0	0	0	0	0	115.7
19	I	90.3	Very high	92.9	Very high	61 Å²	61	47.8 Å²	47.8	31%	0.313	30%	0.302	S	S	.	.	S	Bend	trans	-140.3	158.1	173.5	58.8	159.7	0	0	0	111.7	V16 T17 Y26 W28 N70	V16-I19 HydrophobicContact CG1-CG1 3.9Å; V16-I19 WeakPolarHBondContact CG1-O 3.45Å; T17-I19 VanDerWaalsContact C-N 3.3Å; T17-I19 PolarHBondContact O-N 3.38Å; I19-Y26 HydrophobicContact CD1-CD2 4.16Å; I19-Y26 HydrophobicContact CD1-CE2 3.99Å; I19-W28 HydrophobicContact CD1-CH2 3.6Å; I19-W28 HydrophobicContact CD1-CZ2 3.92Å; I19-W28 HydrophobicContact CG1-CH2 4.18Å; I19-N70 PolarHBondContact O-ND2 2.89Å
20	S	92.6	Very high	93.1	Very high	40 Å²	40	44.2 Å²	44.2	28%	0.28	28%	0.28	S	S	.	.			trans	-85.3	135.8	176.6	173.7	0	0	0	0	112.3	T22 T23 N70	S20-T22 PolarHBondContact O-N 3.13Å; S20-T22 VanDerWaalsContact O-N 3.17Å; S20-T22 PolarHBondContact OG-N 3.16Å; S20-T22 PolarHBondContact OG-OG1 3.46Å; S20-T23 PolarHBondContact O-N 3.32Å; S20-T23 PolarHBondContact O-OG1 2.85Å; S20-N70 WeakPolarHBondContact CA-OD1 3.49Å
21	I	93.6	Very high	93.1	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-12.3	175.6	64.5	174.7	0	0	0	114	V16 W28 R65 N70 Q71 F72	V16-I21 HydrophobicContact CB-CG2 3.72Å; V16-I21 HydrophobicContact CG1-CG2 4.23Å; V16-I21 HydrophobicContact CG2-CG2 3.5Å; I21-W28 VanDerWaalsContact CA-NE1 3.33Å; I21-W28 HydrophobicContact CB-CZ2 4.3Å; I21-W28 HydrophobicContact CG2-CD2 4.24Å; I21-W28 HydrophobicContact CG2-CZ2 3.97Å; I21-W28 PolarHBondContact O-NE1 2.86Å; I21-R65 HydrophobicContact CD1-CB 4.06Å; I21-N70 WeakPolarHBondContact CG1-OD1 3.38Å; I21-N70 WeakPolarHBondContact CG2-OD1 3.43Å; I21-N70 PolarHBondContact N-OD1 3.01Å; I21-Q71 VanDerWaalsContact CD1-O 3.31Å; I21-Q71 WeakPolarHBondContact CD1-O 3.35Å; I21-F72 HydrophobicContact CG2-CD1 4.42Å
22	T	93.6	Very high	93.1	Very high	53 Å²	53	41.3 Å²	41.3	33%	0.325	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	8.9	180	59.6	0	0	0	0	113.5	S20 Y47 T67	S20-T22 PolarHBondContact O-N 3.13Å; S20-T22 VanDerWaalsContact O-N 3.17Å; S20-T22 PolarHBondContact OG-N 3.16Å; S20-T22 PolarHBondContact OG-OG1 3.46Å; T22-Y47 WeakPolarHBondContact O-CD2 3.26Å; T22-T67 HydrophobicContact CG2-CG2 3.37Å
23	T	87.3	Confident	93.2	Very high	67 Å²	67	43 Å²	43	41%	0.411	27%	0.265	S	S	.	.	S	Bend	trans	-120.2	163	-175.5	61.2	0	0	0	0	112.2	S20 N25 Y26	S20-T23 PolarHBondContact O-N 3.32Å; S20-T23 PolarHBondContact O-OG1 2.85Å; T23-N25 PolarHBondContact O-N 3.06Å; T23-Y26 WeakPolarHBondContact O-CD2 3.41Å
24	G	83.3	Confident	93.1	Very high	33 Å²	33	41.6 Å²	41.6	34%	0.34	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	37.5	165.9	0	0	0	0	0	115	Y26 W93	G24-Y26 VanDerWaalsContact O-CD1 3.25Å; G24-Y26 WeakPolarHBondContact O-CD1 3.38Å; G24-Y26 VanDerWaalsContact O-CD2 3.31Å; G24-Y26 WeakPolarHBondContact O-CD2 3.27Å; G24-Y26 WeakPolarHBondContact O-CE1 3.36Å; G24-Y26 WeakPolarHBondContact O-CE2 3.34Å; G24-Y26 PolarHBondContact O-N 3.01Å; G24-W93 WeakPolarHBondContact O-CZ3 3.31Å
25	N	89.3	Confident	92.8	Very high	73 Å²	73	46.3 Å²	46.3	39%	0.39	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.1	27.2	172.4	-61.2	-21.4	0	0	0	115.2	T23 Y46 Y47 W93	T23-N25 PolarHBondContact O-N 3.06Å; N25-Y46 VanDerWaalsContact O-CE2 3.24Å; N25-Y46 WeakPolarHBondContact O-CE2 3.48Å; N25-Y47 VanDerWaalsContact CA-CD1 3.46Å; N25-Y47 HydrophobicContact CB-CD1 4.41Å; N25-Y47 HydrophobicContact CB-CE1 4.31Å; N25-Y47 WeakPolarHBondContact OD1-CE1 3.34Å; N25-Y47 VanDerWaalsContact OD1-CZ 3.26Å; N25-Y47 PolarHBondContact OD1-OH 2.81Å; N25-W93 HydrophobicContact CB-CE3 4.35Å; N25-W93 HydrophobicContact CB-CH2 3.98Å; N25-W93 HydrophobicContact CB-CZ3 3.9Å
26	Y	90.8	Very high	92.5	Very high	46 Å²	46	46 Å²	46	18%	0.18	30%	0.296	C	S	.	.			trans	-82.4	146.6	-175.7	-60.9	-57.2	0	0	0	110.5	I19 T23 G24 W28 Y46 Y47 R91 W93	I19-Y26 HydrophobicContact CD1-CD2 4.16Å; I19-Y26 HydrophobicContact CD1-CE2 3.99Å; T23-Y26 WeakPolarHBondContact O-CD2 3.41Å; G24-Y26 VanDerWaalsContact O-CD1 3.25Å; G24-Y26 WeakPolarHBondContact O-CD1 3.38Å; G24-Y26 VanDerWaalsContact O-CD2 3.31Å; G24-Y26 WeakPolarHBondContact O-CD2 3.27Å; G24-Y26 WeakPolarHBondContact O-CE1 3.36Å; G24-Y26 WeakPolarHBondContact O-CE2 3.34Å; G24-Y26 PolarHBondContact O-N 3.01Å; Y26-W28 HydrophobicContact CD2-CZ2 4.33Å; Y26-Y46 VanDerWaalsContact O-CD2 3.3Å; Y26-Y46 WeakPolarHBondContact O-CD2 3.35Å; Y26-Y47 PolarHBondContact O-N 2.82Å; Y26-R91 HydrophobicContact CD1-CG 3.96Å; Y26-R91 HydrophobicContact CG-CG 4.06Å; Y26-W93 HydrophobicContact CD1-CB 4.42Å; Y26-W93 AromaticContact CD1-CE3 3.66Å; Y26-W93 HydrophobicContact CD1-CE3 3.66Å; Y26-W93 HydrophobicContact CD1-CZ3 4.44Å; Y26-W93 HydrophobicContact CE1-CD2 4.45Å; Y26-W93 AromaticContact CE1-CE3 3.42Å; Y26-W93 HydrophobicContact CE1-CE3 3.42Å; Y26-W93 VanDerWaalsContact CE1-CE3 3.42Å; Y26-W93 HydrophobicContact CE1-CZ3 4.01Å
27	R	93.6	Very high	92.3	Very high	56 Å²	56	51.1 Å²	51.1	21%	0.211	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	136.5	163.6	-66.2	169	-166.8	146.3	8	107.9	Y44 Y46 N92 D95	R27-Y44 HydrophobicContact CB-CD2 3.96Å; R27-Y44 HydrophobicContact CB-CE2 4.48Å; R27-Y44 HydrophobicContact CB-CG 4.1Å; R27-Y44 HydrophobicContact CG-CD2 3.82Å; R27-Y44 HydrophobicContact CG-CE2 3.85Å; R27-Y44 HydrophobicContact CG-CG 4.28Å; R27-Y46 HydrophobicContact CB-CD2 4.42Å; R27-Y46 HydrophobicContact CG-CD2 3.41Å; R27-Y46 VanDerWaalsContact CG-CD2 3.41Å; R27-Y46 HydrophobicContact CG-CE2 3.84Å; R27-Y46 HydrophobicContact CG-CG 4.46Å; R27-N92 WeakPolarHBondContact CB-OD1 3.42Å; R27-N92 WeakPolarHBondContact CD-ND2 3.35Å; R27-N92 PolarHBondContact N-O 3.39Å; R27-N92 PolarHBondContact O-N 3.05Å; R27-N92 PolarHBondContact O-OD1 2.91Å; R27-N92 VanDerWaalsContact O-OD1 3.11Å; R27-D95 IonicContact NH1-OD1 3.45Å; R27-D95 PolarHBondContact NH1-OD1 3.22Å
28	W	95.4	Very high	92.4	Very high	13 Å²	13	51.7 Å²	51.7	5%	0.049	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	103.6	177.1	-60.9	101.2	0	0	0	108.3	V16 I19 I21 Y26 Y44 I45 F72 R91	V16-W28 HydrophobicContact CB-CH2 4.42Å; V16-W28 HydrophobicContact CG1-CH2 3.6Å; V16-W28 HydrophobicContact CG1-CZ2 4.3Å; V16-W28 HydrophobicContact CG1-CZ3 4.06Å; V16-W28 HydrophobicContact CG2-CE3 4.06Å; V16-W28 HydrophobicContact CG2-CH2 3.97Å; V16-W28 HydrophobicContact CG2-CZ3 3.69Å; I19-W28 HydrophobicContact CD1-CH2 3.6Å; I19-W28 HydrophobicContact CD1-CZ2 3.92Å; I19-W28 HydrophobicContact CG1-CH2 4.18Å; I21-W28 VanDerWaalsContact CA-NE1 3.33Å; I21-W28 HydrophobicContact CB-CZ2 4.3Å; I21-W28 HydrophobicContact CG2-CD2 4.24Å; I21-W28 HydrophobicContact CG2-CZ2 3.97Å; I21-W28 PolarHBondContact O-NE1 2.86Å; Y26-W28 HydrophobicContact CD2-CZ2 4.33Å; W28-Y44 CarbonylContact O-C 3.53Å; W28-Y44 WeakPolarHBondContact O-CA 3.38Å; W28-Y44 WeakPolarHBondContact O-CB 3.37Å; W28-I45 HydrophobicContact CB-CG2 3.94Å; W28-I45 PolarHBondContact N-O 3.44Å; W28-I45 PolarHBondContact O-N 2.74Å; W28-F72 HydrophobicContact CB-CD1 4.2Å; W28-F72 HydrophobicContact CB-CD2 4.25Å; W28-F72 HydrophobicContact CB-CE1 3.89Å; W28-F72 HydrophobicContact CB-CE2 3.96Å; W28-F72 HydrophobicContact CB-CG 4.34Å; W28-F72 HydrophobicContact CB-CZ 3.72Å; W28-F72 HydrophobicContact CD2-CE1 4.14Å; W28-F72 AromaticContact CE3-CE1 3.85Å; W28-F72 HydrophobicContact CE3-CE1 3.85Å; W28-F72 HydrophobicContact CE3-CZ 4.15Å; W28-F72 HydrophobicContact CG-CD1 4.47Å; W28-F72 HydrophobicContact CG-CE1 4.18Å; W28-F72 HydrophobicContact CG-CZ 4.43Å; W28-R91 HydrophobicContact CE3-CB 3.98Å; W28-R91 HydrophobicContact CE3-CG 4.17Å; W28-R91 HydrophobicContact CH2-CB 4.21Å; W28-R91 HydrophobicContact CH2-CG 3.92Å; W28-R91 HydrophobicContact CZ2-CG 4.37Å; W28-R91 HydrophobicContact CZ3-CB 3.62Å; W28-R91 HydrophobicContact CZ3-CG 3.8Å
29	S	95.7	Very high	92.5	Very high	0 Å²	0	52 Å²	52	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	149.4	-171.1	-68.5	0	0	0	0	112.2	W41 G43 Y44 C89 A90 N92	S29-W41 PolarHBondContact OG-NE1 2.97Å; S29-G43 CarbonylContact C-O 3.43Å; S29-G43 WeakPolarHBondContact CA-O 3.45Å; S29-Y44 WeakPolarHBondContact OG-CB 3.37Å; S29-C89 CarbonylContact O-C 3.55Å; S29-C89 WeakPolarHBondContact O-CA 3.31Å; S29-A90 PolarHBondContact N-O 3.5Å; S29-A90 PolarHBondContact O-N 2.78Å; S29-N92 PolarHBondContact OG-OD1 3.36Å
30	W	96.4	Very high	92.8	Very high	6 Å²	6	51.1 Å²	51.1	2%	0.023	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	132.9	163.9	-75.2	104	0	0	0	110.1	L12 C14 I42 G43 F72 F73 L74 Y88 C89	L12-W30 HydrophobicContact CB-CH2 3.79Å; L12-W30 HydrophobicContact CB-CZ2 4.42Å; L12-W30 HydrophobicContact CB-CZ3 4.09Å; L12-W30 HydrophobicContact CD1-CZ3 4.44Å; C14-W30 HydrophobicContact CB-CH2 3.87Å; C14-W30 HydrophobicContact CB-CZ2 3.88Å; W30-I42 HydrophobicContact CB-CB 4.15Å; W30-I42 HydrophobicContact CB-CD1 4.33Å; W30-I42 WeakPolarHBondContact O-CB 3.45Å; W30-I42 PolarHBondContact O-N 2.87Å; W30-G43 PolarHBondContact N-O 2.97Å; W30-F72 HydrophobicContact CD2-CE2 4.36Å; W30-F72 AromaticContact CE2-CD2 3.8Å; W30-F72 AromaticContact CE2-CE2 3.73Å; W30-F72 HydrophobicContact CZ2-CD2 4.1Å; W30-F72 HydrophobicContact CZ2-CE2 4.11Å; W30-F72 AromaticContact NE1-CD2 3.32Å; W30-F72 VanDerWaalsContact NE1-CD2 3.32Å; W30-F72 AromaticContact NE1-CE2 3.53Å; W30-F73 PolarHBondContact NE1-O 2.99Å; W30-L74 HydrophobicContact CB-CD2 4.05Å; W30-L74 HydrophobicContact CD2-CB 3.63Å; W30-L74 HydrophobicContact CD2-CD2 4.04Å; W30-L74 HydrophobicContact CD2-CG 4.45Å; W30-L74 VanDerWaalsContact CE2-CB 3.46Å; W30-L74 HydrophobicContact CE3-CB 4.25Å; W30-L74 HydrophobicContact CE3-CD2 4.2Å; W30-L74 HydrophobicContact CG-CB 3.83Å; W30-L74 HydrophobicContact CG-CD2 3.99Å; W30-L74 HydrophobicContact CG-CG 4.38Å; W30-L74 HydrophobicContact CZ2-CB 3.94Å; W30-Y88 WeakPolarHBondContact CA-O 3.36Å; W30-C89 HydrophobicContact CE3-CB 4.21Å; W30-C89 HydrophobicContact CH2-CB 4.24Å; W30-C89 HydrophobicContact CZ3-CB 4.06Å
31	I	95.6	Very high	92.8	Very high	6 Å²	6	52.9 Å²	52.9	3%	0.031	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	136.3	-177.1	-57	168.5	0	0	0	107.1	L39 E40 Y87 Y88 A90 F97 W100	I31-L39 HydrophobicContact CG2-CB 4.41Å; I31-L39 HydrophobicContact CG2-CD2 3.98Å; I31-E40 WeakPolarHBondContact CA-O 3.47Å; I31-Y87 CarbonylContact O-C 3.55Å; I31-Y87 WeakPolarHBondContact O-CA 3.37Å; I31-Y88 PolarHBondContact N-O 2.97Å; I31-Y88 PolarHBondContact O-N 2.78Å; I31-A90 HydrophobicContact CD1-CB 3.99Å; I31-F97 HydrophobicContact CD1-CD1 4.05Å; I31-F97 HydrophobicContact CD1-CD2 4.5Å; I31-F97 HydrophobicContact CD1-CE1 3.7Å; I31-F97 HydrophobicContact CD1-CE2 4.15Å; I31-F97 HydrophobicContact CD1-CG 4.46Å; I31-F97 HydrophobicContact CD1-CZ 3.75Å; I31-W100 HydrophobicContact CB-CH2 4.34Å; I31-W100 HydrophobicContact CB-CZ3 4.13Å; I31-W100 HydrophobicContact CD1-CE3 4.49Å; I31-W100 HydrophobicContact CD1-CH2 3.23Å; I31-W100 HydrophobicContact CD1-CZ2 3.79Å; I31-W100 HydrophobicContact CD1-CZ3 3.64Å; I31-W100 HydrophobicContact CG1-CH2 4.35Å; I31-W100 HydrophobicContact CG1-CZ3 4.48Å; I31-W100 HydrophobicContact CG2-CH2 4.08Å; I31-W100 HydrophobicContact CG2-CZ3 4.1Å
32	R	95.6	Very high	92.9	Very high	18 Å²	18	53 Å²	53	7%	0.068	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	143.4	171.2	62.6	-178.8	179.9	175.6	5.5	111.2	F34 L39 E40 I42 L57 D83 A85 T86 Y87	R32-F34 HydrophobicContact CG-CE2 4.31Å; R32-F34 HydrophobicContact CG-CZ 4.25Å; R32-L39 CarbonylContact O-C 3.58Å; R32-L39 WeakPolarHBondContact O-CA 3.43Å; R32-E40 HydrophobicContact CG-CB 4.09Å; R32-E40 IonicContact CZ-OE2 2.67Å; R32-E40 PolarHBondContact N-O 2.94Å; R32-E40 IonicContact NE-OE2 3.11Å; R32-E40 PolarHBondContact NE-OE2 2.04Å; R32-E40 IonicContact NH2-OE2 3.21Å; R32-E40 PolarHBondContact NH2-OE2 3.17Å; R32-E40 PolarHBondContact O-N 2.79Å; R32-I42 HydrophobicContact CB-CD1 4.06Å; R32-I42 HydrophobicContact CG-CD1 4.06Å; R32-I42 HydrophobicContact CG-CG1 4.18Å; R32-L57 VanDerWaalsContact NH2-CD2 3.27Å; R32-D83 IonicContact NH1-OD1 3.84Å; R32-D83 PolarHBondContact NH1-OD1 3.25Å; R32-A85 HydrophobicContact CB-CB 3.88Å; R32-A85 HydrophobicContact CG-CB 4.5Å; R32-T86 CarbonylContact C-O 3.6Å; R32-T86 WeakPolarHBondContact CA-O 3.2Å; R32-Y87 HydrophobicContact CB-CD1 3.88Å; R32-Y87 HydrophobicContact CB-CE1 3.8Å; R32-Y87 HydrophobicContact CB-CG 4.32Å; R32-Y87 HydrophobicContact CG-CE1 4.48Å
33	Q	96.6	Very high	93	Very high	42 Å²	42	50.4 Å²	50.4	20%	0.196	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	117.1	175.7	-169.6	-179.1	30.2	0	0	109.2	N37 K38 L39 A85 T86 Y88	Q33-N37 PolarHBondContact NE2-OD1 2.67Å; Q33-K38 WeakPolarHBondContact CA-O 3.34Å; Q33-L39 HydrophobicContact CB-CD2 3.61Å; Q33-L39 HydrophobicContact CG-CD2 3.73Å; Q33-L39 HydrophobicContact CG-CG 4.48Å; Q33-A85 WeakPolarHBondContact O-CA 3.45Å; Q33-A85 WeakPolarHBondContact O-CB 3.34Å; Q33-T86 PolarHBondContact N-O 2.91Å; Q33-T86 PolarHBondContact O-N 3.26Å; Q33-Y88 HydrophobicContact CB-CD2 4.29Å; Q33-Y88 HydrophobicContact CB-CE2 3.63Å; Q33-Y88 PolarHBondContact OE1-OH 2.8Å
34	F	95.2	Very high	93.3	Very high	43 Å²	43	49.5 Å²	49.5	19%	0.189	27%	0.265	C	S	.	.			trans	-77.1	159	176.4	-63.3	-78	0	0	0	111.4	R32 G36 N37 K38 E40 E82 A85	R32-F34 HydrophobicContact CG-CE2 4.31Å; R32-F34 HydrophobicContact CG-CZ 4.25Å; F34-G36 PolarHBondContact O-N 3.39Å; F34-N37 PolarHBondContact O-N 2.83Å; F34-K38 HydrophobicContact CB-CB 4.43Å; F34-K38 HydrophobicContact CD2-CB 4.28Å; F34-K38 HydrophobicContact CD2-CD 4.31Å; F34-K38 HydrophobicContact CD2-CG 4.3Å; F34-K38 WeakPolarHBondContact CD2-O 3.46Å; F34-K38 PolarHBondContact N-O 2.73Å; F34-E40 HydrophobicContact CE2-CB 3.86Å; F34-E82 WeakPolarHBondContact CE1-O 3.34Å; F34-A85 HydrophobicContact CD1-CB 4.24Å
35	P	90.4	Very high	93.9	Very high	110 Å²	110	48.1 Å²	48.1	71%	0.714	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.6	130.2	161.2	-24.2	34.3	0	0	0	110.1
36	G	91.6	Very high	94.2	Very high	73 Å²	73	47.4 Å²	47.4	75%	0.753	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.7	14.2	-172	0	0	0	0	0	115.1	F34 K38	F34-G36 PolarHBondContact O-N 3.39Å; G36-K38 VanDerWaalsContact C-N 3.26Å; G36-K38 PolarHBondContact O-N 2.86Å
37	N	88.9	Confident	94.3	Very high	125 Å²	125	49 Å²	49	67%	0.668	25%	0.248	S	C	*	.	S	Bend	trans	66.2	13.9	170.2	-60.1	-43.2	0	0	0	116.3	Q33 F34 L39	Q33-N37 PolarHBondContact NE2-OD1 2.67Å; F34-N37 PolarHBondContact O-N 2.83Å; N37-L39 PolarHBondContact O-N 2.72Å
38	K	94.1	Very high	94.3	Very high	135 Å²	135	49.2 Å²	49.2	59%	0.587	26%	0.258	S	S	*	.			trans	-71.6	122.8	171.4	-177.8	-176.9	175.5	-170.7	0	109.6	Q33 F34 G36	Q33-K38 WeakPolarHBondContact CA-O 3.34Å; F34-K38 HydrophobicContact CB-CB 4.43Å; F34-K38 HydrophobicContact CD2-CB 4.28Å; F34-K38 HydrophobicContact CD2-CD 4.31Å; F34-K38 HydrophobicContact CD2-CG 4.3Å; F34-K38 WeakPolarHBondContact CD2-O 3.46Å; F34-K38 PolarHBondContact N-O 2.73Å; G36-K38 VanDerWaalsContact C-N 3.26Å; G36-K38 PolarHBondContact O-N 2.86Å
39	L	93.9	Very high	94.2	Very high	92 Å²	92	49.9 Å²	49.9	48%	0.482	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	142.3	173.4	-67.9	170.1	0	0	0	110.9	I31 R32 Q33 N37 W100	I31-L39 HydrophobicContact CG2-CB 4.41Å; I31-L39 HydrophobicContact CG2-CD2 3.98Å; R32-L39 CarbonylContact O-C 3.58Å; R32-L39 WeakPolarHBondContact O-CA 3.43Å; Q33-L39 HydrophobicContact CB-CD2 3.61Å; Q33-L39 HydrophobicContact CG-CD2 3.73Å; Q33-L39 HydrophobicContact CG-CG 4.48Å; N37-L39 PolarHBondContact O-N 2.72Å; L39-W100 HydrophobicContact CD1-CH2 4.49Å
40	E	94.7	Very high	94.2	Very high	41 Å²	41	53.8 Å²	53.8	19%	0.192	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	123.8	172.7	-175.6	174	-114.1	0	0	109.9	I31 R32 F34 L57	I31-E40 WeakPolarHBondContact CA-O 3.47Å; R32-E40 HydrophobicContact CG-CB 4.09Å; R32-E40 IonicContact CZ-OE2 2.67Å; R32-E40 PolarHBondContact N-O 2.94Å; R32-E40 IonicContact NE-OE2 3.11Å; R32-E40 PolarHBondContact NE-OE2 2.04Å; R32-E40 IonicContact NH2-OE2 3.21Å; R32-E40 PolarHBondContact NH2-OE2 3.17Å; R32-E40 PolarHBondContact O-N 2.79Å; F34-E40 HydrophobicContact CE2-CB 3.86Å; E40-L57 HydrophobicContact CG-CD1 4.36Å
41	W	94.3	Very high	94.1	Very high	78 Å²	78	56.4 Å²	56.4	30%	0.295	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	131.7	174.6	174.7	79.6	0	0	0	110	S29 G43 Y44 T52 N54	S29-W41 PolarHBondContact OG-NE1 2.97Å; W41-G43 PolarHBondContact NE1-O 3.12Å; W41-Y44 HydrophobicContact CH2-CD1 4.32Å; W41-Y44 AromaticContact CZ2-CD1 3.44Å; W41-Y44 HydrophobicContact CZ2-CD1 3.44Å; W41-Y44 VanDerWaalsContact CZ2-CD1 3.44Å; W41-Y44 HydrophobicContact CZ2-CE1 4.12Å; W41-Y44 HydrophobicContact CZ2-CG 4.24Å; W41-T52 HydrophobicContact CH2-CG2 4.08Å; W41-N54 HydrophobicContact CE3-CB 3.84Å; W41-N54 HydrophobicContact CZ3-CB 3.84Å; W41-N54 VanDerWaalsContact O-CB 3.31Å; W41-N54 WeakPolarHBondContact O-CB 3.06Å; W41-N54 PolarHBondContact O-ND2 3.35Å
42	I	95.1	Very high	94.1	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.01	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-44.5	-175.7	-60.8	173	0	0	0	111	W30 R32 N54 L57 T61 L74 Y87	W30-I42 HydrophobicContact CB-CB 4.15Å; W30-I42 HydrophobicContact CB-CD1 4.33Å; W30-I42 WeakPolarHBondContact O-CB 3.45Å; W30-I42 PolarHBondContact O-N 2.87Å; R32-I42 HydrophobicContact CB-CD1 4.06Å; R32-I42 HydrophobicContact CG-CD1 4.06Å; R32-I42 HydrophobicContact CG-CG1 4.18Å; I42-N54 WeakPolarHBondContact O-CB 2.95Å; I42-N54 PolarHBondContact O-N 2.63Å; I42-L57 HydrophobicContact CB-CD1 4.33Å; I42-L57 HydrophobicContact CG1-CD1 4Å; I42-L57 HydrophobicContact CG2-CD1 4.34Å; I42-T61 HydrophobicContact CG2-CG2 4.11Å; I42-L74 HydrophobicContact CD1-CD2 3.65Å; I42-L74 HydrophobicContact CG2-CD1 4.06Å; I42-L74 HydrophobicContact CG2-CD2 4.43Å; I42-Y87 HydrophobicContact CD1-CD1 3.74Å; I42-Y87 HydrophobicContact CD1-CE1 3.62Å
43	G	94.9	Very high	94	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.8	168.3	-171	0	0	0	0	0	111.1	S29 W30 W41 T52	S29-G43 CarbonylContact C-O 3.43Å; S29-G43 WeakPolarHBondContact CA-O 3.45Å; W30-G43 PolarHBondContact N-O 2.97Å; W41-G43 PolarHBondContact NE1-O 3.12Å; G43-T52 CarbonylContact C-O 3.56Å; G43-T52 WeakPolarHBondContact CA-O 3.29Å
44	Y	95	Very high	93.7	Very high	47 Å²	47	60.1 Å²	60.1	18%	0.184	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	157	171	73.4	-109	0	0	0	111.6	R27 W28 S29 W41 I51 T52	R27-Y44 HydrophobicContact CB-CD2 3.96Å; R27-Y44 HydrophobicContact CB-CE2 4.48Å; R27-Y44 HydrophobicContact CB-CG 4.1Å; R27-Y44 HydrophobicContact CG-CD2 3.82Å; R27-Y44 HydrophobicContact CG-CE2 3.85Å; R27-Y44 HydrophobicContact CG-CG 4.28Å; W28-Y44 CarbonylContact O-C 3.53Å; W28-Y44 WeakPolarHBondContact O-CA 3.38Å; W28-Y44 WeakPolarHBondContact O-CB 3.37Å; S29-Y44 WeakPolarHBondContact OG-CB 3.37Å; W41-Y44 HydrophobicContact CH2-CD1 4.32Å; W41-Y44 AromaticContact CZ2-CD1 3.44Å; W41-Y44 HydrophobicContact CZ2-CD1 3.44Å; W41-Y44 VanDerWaalsContact CZ2-CD1 3.44Å; W41-Y44 HydrophobicContact CZ2-CE1 4.12Å; W41-Y44 HydrophobicContact CZ2-CG 4.24Å; Y44-I51 WeakPolarHBondContact O-CA 3.48Å; Y44-T52 HydrophobicContact CE1-CG2 4.26Å; Y44-T52 PolarHBondContact N-O 3.02Å; Y44-T52 PolarHBondContact O-N 3Å; Y44-T52 PolarHBondContact OH-OG1 2.84Å
45	I	95.8	Very high	93.4	Very high	5 Å²	5	63.6 Å²	63.6	3%	0.026	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	126	163.7	-172.8	162.3	0	0	0	109.7	W28 I51 I63 R65 F72	W28-I45 HydrophobicContact CB-CG2 3.94Å; W28-I45 PolarHBondContact N-O 3.44Å; W28-I45 PolarHBondContact O-N 2.74Å; I45-I51 HydrophobicContact CB-CG1 4.18Å; I45-I51 HydrophobicContact CD1-CD1 4.27Å; I45-I51 HydrophobicContact CD1-CG1 3.9Å; I45-I51 HydrophobicContact CG1-CG1 3.87Å; I45-I63 HydrophobicContact CB-CG2 3.92Å; I45-I63 HydrophobicContact CG2-CG2 4.08Å; I45-R65 HydrophobicContact CD1-CB 4.03Å; I45-R65 HydrophobicContact CD1-CG 3.72Å; I45-F72 HydrophobicContact CG2-CB 4.3Å
46	Y	95.1	Very high	93.1	Very high	57 Å²	57	63 Å²	63	22%	0.224	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	158.5	178.9	-162	-141	0	0	0	110.8	N25 Y26 R27 S48 G49 T50 R65	N25-Y46 VanDerWaalsContact O-CE2 3.24Å; N25-Y46 WeakPolarHBondContact O-CE2 3.48Å; Y26-Y46 VanDerWaalsContact O-CD2 3.3Å; Y26-Y46 WeakPolarHBondContact O-CD2 3.35Å; R27-Y46 HydrophobicContact CB-CD2 4.42Å; R27-Y46 HydrophobicContact CG-CD2 3.41Å; R27-Y46 VanDerWaalsContact CG-CD2 3.41Å; R27-Y46 HydrophobicContact CG-CE2 3.84Å; R27-Y46 HydrophobicContact CG-CG 4.46Å; Y46-S48 VanDerWaalsContact CD1-OG 3.31Å; Y46-S48 WeakPolarHBondContact CD1-OG 3.48Å; Y46-S48 PolarHBondContact O-N 2.89Å; Y46-S48 VanDerWaalsContact O-N 3.1Å; Y46-G49 WeakPolarHBondContact O-CA 3.34Å; Y46-G49 PolarHBondContact O-N 2.9Å; Y46-T50 WeakPolarHBondContact CB-O 3.16Å; Y46-T50 PolarHBondContact N-O 2.79Å; Y46-R65 PolarHBondContact O-NH1 3.09Å
47	Y	92.7	Very high	92.6	Very high	79 Å²	79	60.2 Å²	60.2	31%	0.31	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-34.4	177.5	85.4	-81.6	0	0	0	112.6	T22 N25 Y26 G49 R65	T22-Y47 WeakPolarHBondContact O-CD2 3.26Å; N25-Y47 VanDerWaalsContact CA-CD1 3.46Å; N25-Y47 HydrophobicContact CB-CD1 4.41Å; N25-Y47 HydrophobicContact CB-CE1 4.31Å; N25-Y47 WeakPolarHBondContact OD1-CE1 3.34Å; N25-Y47 VanDerWaalsContact OD1-CZ 3.26Å; N25-Y47 PolarHBondContact OD1-OH 2.81Å; Y26-Y47 PolarHBondContact O-N 2.82Å; Y47-G49 PolarHBondContact O-N 2.86Å; Y47-R65 PolarHBondContact O-NH1 3.03Å; Y47-R65 PolarHBondContact O-NH2 3.25Å
48	S	93.8	Very high	92.1	Very high	61 Å²	61	57.4 Å²	57.4	43%	0.427	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-19.3	175.6	66	0	0	0	0	113.8	Y46 T50 R65	Y46-S48 VanDerWaalsContact CD1-OG 3.31Å; Y46-S48 WeakPolarHBondContact CD1-OG 3.48Å; Y46-S48 PolarHBondContact O-N 2.89Å; Y46-S48 VanDerWaalsContact O-N 3.1Å; S48-T50 PolarHBondContact OG-N 2.98Å; S48-T50 PolarHBondContact OG-OG1 3.23Å; S48-R65 VanDerWaalsContact C-NH2 3.29Å; S48-R65 PolarHBondContact O-NH2 2.89Å
49	G	93.6	Very high	91.7	Very high	27 Å²	27	56.4 Å²	56.4	28%	0.278	32%	0.318	S	S	.	.	S	Bend	trans	100.2	-1.5	-174.3	0	0	0	0	0	114	Y46 Y47 I51	Y46-G49 WeakPolarHBondContact O-CA 3.34Å; Y46-G49 PolarHBondContact O-N 2.9Å; Y47-G49 PolarHBondContact O-N 2.86Å; G49-I51 PolarHBondContact O-N 3.46Å
50	T	94.8	Very high	91.5	Very high	82 Å²	82	55.2 Å²	55.2	50%	0.503	31%	0.307	S	S	.	.			trans	-63.2	128.9	171.7	-54.4	0	0	0	0	109.9	Y46 S48	Y46-T50 WeakPolarHBondContact CB-O 3.16Å; Y46-T50 PolarHBondContact N-O 2.79Å; S48-T50 PolarHBondContact OG-N 2.98Å; S48-T50 PolarHBondContact OG-OG1 3.23Å
51	I	95.3	Very high	91.4	Very high	61 Å²	61	53.9 Å²	53.9	31%	0.313	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	140.8	178.9	-59.6	160.4	0	0	0	108.9	Y44 I45 G49 Y53 I63	Y44-I51 WeakPolarHBondContact O-CA 3.48Å; I45-I51 HydrophobicContact CB-CG1 4.18Å; I45-I51 HydrophobicContact CD1-CD1 4.27Å; I45-I51 HydrophobicContact CD1-CG1 3.9Å; I45-I51 HydrophobicContact CG1-CG1 3.87Å; G49-I51 PolarHBondContact O-N 3.46Å; I51-Y53 HydrophobicContact CB-CE2 4.32Å; I51-Y53 HydrophobicContact CG2-CD2 3.99Å; I51-Y53 HydrophobicContact CG2-CE1 4.01Å; I51-Y53 HydrophobicContact CG2-CE2 3.42Å; I51-Y53 VanDerWaalsContact CG2-CE2 3.42Å; I51-Y53 VanDerWaalsContact CG2-CZ 3.43Å; I51-I63 VanDerWaalsContact CD1-O 3.25Å; I51-I63 WeakPolarHBondContact CD1-O 3.46Å; I51-I63 HydrophobicContact CG2-CB 4.14Å; I51-I63 HydrophobicContact CG2-CD1 4.49Å
52	T	94.1	Very high	91.4	Very high	54 Å²	54	52.7 Å²	52.7	33%	0.331	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	133.2	170.6	-56	0	0	0	0	108.8	W41 G43 Y44	W41-T52 HydrophobicContact CH2-CG2 4.08Å; G43-T52 CarbonylContact C-O 3.56Å; G43-T52 WeakPolarHBondContact CA-O 3.29Å; Y44-T52 HydrophobicContact CE1-CG2 4.26Å; Y44-T52 PolarHBondContact N-O 3.02Å; Y44-T52 PolarHBondContact O-N 3Å; Y44-T52 PolarHBondContact OH-OG1 2.84Å
53	Y	94.2	Very high	91.5	Very high	60 Å²	60	52.7 Å²	52.7	24%	0.235	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	155.1	-179.1	-64.2	-82.5	0	0	0	110.8	I51 P55 T58 T61 I63	I51-Y53 HydrophobicContact CB-CE2 4.32Å; I51-Y53 HydrophobicContact CG2-CD2 3.99Å; I51-Y53 HydrophobicContact CG2-CE1 4.01Å; I51-Y53 HydrophobicContact CG2-CE2 3.42Å; I51-Y53 VanDerWaalsContact CG2-CE2 3.42Å; I51-Y53 VanDerWaalsContact CG2-CZ 3.43Å; Y53-P55 WeakPolarHBondContact O-CD 3.13Å; Y53-T58 WeakPolarHBondContact CB-OG1 3.19Å; Y53-T58 HydrophobicContact CD2-CG2 4.16Å; Y53-T58 HydrophobicContact CG-CG2 4.17Å; Y53-T61 WeakPolarHBondContact CE1-O 3.46Å; Y53-I63 HydrophobicContact CD1-CD1 4.26Å; Y53-I63 HydrophobicContact CE1-CB 4.23Å; Y53-I63 HydrophobicContact CE1-CD1 4.01Å; Y53-I63 HydrophobicContact CE1-CG1 3.92Å; Y53-I63 PolarHBondContact OH-N 3.48Å; Y53-I63 VanDerWaalsContact OH-N 3.14Å
54	N	91.3	Very high	91.5	Very high	31 Å²	31	55.9 Å²	55.9	17%	0.166	32%	0.323	C	S	.	.			trans	-69.5	120.7	159.6	-175.9	-27.9	0	0	0	108.6	W41 I42 S56 L57 T58	W41-N54 HydrophobicContact CE3-CB 3.84Å; W41-N54 HydrophobicContact CZ3-CB 3.84Å; W41-N54 VanDerWaalsContact O-CB 3.31Å; W41-N54 WeakPolarHBondContact O-CB 3.06Å; W41-N54 PolarHBondContact O-ND2 3.35Å; I42-N54 WeakPolarHBondContact O-CB 2.95Å; I42-N54 PolarHBondContact O-N 2.63Å; N54-S56 PolarHBondContact O-N 3.09Å; N54-S56 PolarHBondContact OD1-N 2.82Å; N54-S56 VanDerWaalsContact OD1-N 3.09Å; N54-L57 HydrophobicContact CB-CD1 4.42Å; N54-L57 PolarHBondContact O-N 2.76Å; N54-T58 PolarHBondContact O-N 3.46Å; N54-T58 PolarHBondContact O-OG1 2.91Å
55	P	87.9	Confident	91.6	Very high	115 Å²	115	56.9 Å²	56.9	75%	0.747	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-30.9	-177.7	-28	35.1	0	0	0	114.4	Y53 L57	Y53-P55 WeakPolarHBondContact O-CD 3.13Å; P55-L57 PolarHBondContact O-N 3.04Å
56	S	84	Confident	91.6	Very high	97 Å²	97	58.5 Å²	58.5	68%	0.678	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-16.6	179.1	-59.9	0	0	0	0	114	N54	N54-S56 PolarHBondContact O-N 3.09Å; N54-S56 PolarHBondContact OD1-N 2.82Å; N54-S56 VanDerWaalsContact OD1-N 3.09Å
57	L	80.6	Confident	91.6	Very high	15 Å²	15	59.5 Å²	59.5	8%	0.079	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-10.3	-171.5	-59.8	175.4	0	0	0	113.7	R32 E40 I42 N54 P55 S59 R60 T61	R32-L57 VanDerWaalsContact NH2-CD2 3.27Å; E40-L57 HydrophobicContact CG-CD1 4.36Å; I42-L57 HydrophobicContact CB-CD1 4.33Å; I42-L57 HydrophobicContact CG1-CD1 4Å; I42-L57 HydrophobicContact CG2-CD1 4.34Å; N54-L57 HydrophobicContact CB-CD1 4.42Å; N54-L57 PolarHBondContact O-N 2.76Å; P55-L57 PolarHBondContact O-N 3.04Å; L57-S59 PolarHBondContact O-N 3.45Å; L57-R60 PolarHBondContact O-N 3.27Å; L57-T61 HydrophobicContact CB-CG2 4.24Å; L57-T61 WeakPolarHBondContact O-CG2 3.34Å; L57-T61 PolarHBondContact O-N 3.05Å; L57-T61 PolarHBondContact O-OG1 3.22Å
58	T	79.1	Confident	91.7	Very high	66 Å²	66	60.6 Å²	60.6	41%	0.405	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-29.4	-173.4	-49.5	0	0	0	0	114.9	Y53 N54 R60	Y53-T58 WeakPolarHBondContact CB-OG1 3.19Å; Y53-T58 HydrophobicContact CD2-CG2 4.16Å; Y53-T58 HydrophobicContact CG-CG2 4.17Å; N54-T58 PolarHBondContact O-N 3.46Å; N54-T58 PolarHBondContact O-OG1 2.91Å; T58-R60 VanDerWaalsContact C-N 3.3Å; T58-R60 PolarHBondContact O-N 3.03Å
59	S	85.4	Confident	91.8	Very high	114 Å²	114	63.7 Å²	63.7	80%	0.797	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-20.3	-174	59.7	0	0	0	0	114.4	L57	L57-S59 PolarHBondContact O-N 3.45Å
60	R	89.3	Confident	91.9	Very high	67 Å²	67	63.9 Å²	63.9	25%	0.253	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.2	-4.3	-173.7	-61.9	-169.9	-60.8	123	3.8	114.2	L57 T58 M76 N77 S78 D83	L57-R60 PolarHBondContact O-N 3.27Å; T58-R60 VanDerWaalsContact C-N 3.3Å; T58-R60 PolarHBondContact O-N 3.03Å; R60-M76 WeakPolarHBondContact O-CA 3.37Å; R60-N77 PolarHBondContact O-N 3.16Å; R60-S78 PolarHBondContact NH1-O 3.11Å; R60-D83 IonicContact CZ-OD1 3.73Å; R60-D83 IonicContact CZ-OD2 2.73Å; R60-D83 IonicContact NH1-OD1 2.99Å; R60-D83 IonicContact NH1-OD2 3.39Å; R60-D83 PolarHBondContact NH1-OD2 3.39Å; R60-D83 IonicContact NH2-OD1 3.54Å; R60-D83 PolarHBondContact NH2-OD1 2.74Å; R60-D83 IonicContact NH2-OD2 2.72Å; R60-D83 PolarHBondContact NH2-OD2 2.85Å
61	T	92.4	Very high	92	Very high	13 Å²	13	61.8 Å²	61.8	8%	0.08	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	134.6	-174.6	62.8	0	0	0	0	111.8	I42 Y53 L57 L74 E75 M76	I42-T61 HydrophobicContact CG2-CG2 4.11Å; Y53-T61 WeakPolarHBondContact CE1-O 3.46Å; L57-T61 HydrophobicContact CB-CG2 4.24Å; L57-T61 WeakPolarHBondContact O-CG2 3.34Å; L57-T61 PolarHBondContact O-N 3.05Å; L57-T61 PolarHBondContact O-OG1 3.22Å; T61-L74 HydrophobicContact CG2-CD1 4.44Å; T61-E75 CarbonylContact C-O 3.59Å; T61-E75 WeakPolarHBondContact CA-O 3.31Å; T61-M76 HydrophobicContact CG2-CG 4.24Å
62	T	95.3	Very high	92.1	Very high	54 Å²	54	59 Å²	59	33%	0.331	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	128.2	172.8	-50.7	0	0	0	0	109.2	T64 E75	T62-T64 HydrophobicContact CG2-CG2 3.98Å; T62-E75 PolarHBondContact N-O 2.94Å; T62-E75 PolarHBondContact O-N 3.32Å
63	I	96.4	Very high	92.2	Very high	2 Å²	2	58 Å²	58	1%	0.01	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	130.9	173.6	-64.3	170.4	0	0	0	108.9	I45 I51 Y53 F73 L74	I45-I63 HydrophobicContact CB-CG2 3.92Å; I45-I63 HydrophobicContact CG2-CG2 4.08Å; I51-I63 VanDerWaalsContact CD1-O 3.25Å; I51-I63 WeakPolarHBondContact CD1-O 3.46Å; I51-I63 HydrophobicContact CG2-CB 4.14Å; I51-I63 HydrophobicContact CG2-CD1 4.49Å; Y53-I63 HydrophobicContact CD1-CD1 4.26Å; Y53-I63 HydrophobicContact CE1-CB 4.23Å; Y53-I63 HydrophobicContact CE1-CD1 4.01Å; Y53-I63 HydrophobicContact CE1-CG1 3.92Å; Y53-I63 PolarHBondContact OH-N 3.48Å; Y53-I63 VanDerWaalsContact OH-N 3.14Å; I63-F73 WeakPolarHBondContact CA-O 2.99Å; I63-L74 HydrophobicContact CG1-CD1 4.01Å
64	T	96	Very high	92.3	Very high	66 Å²	66	55.1 Å²	55.1	41%	0.405	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	171.1	177.7	65.6	0	0	0	0	111.2	T62 F72 F73	T62-T64 HydrophobicContact CG2-CG2 3.98Å; T64-F72 CarbonylContact O-C 3.58Å; T64-F72 WeakPolarHBondContact O-CA 3.3Å; T64-F72 WeakPolarHBondContact O-CB 3.18Å; T64-F73 PolarHBondContact N-O 2.86Å; T64-F73 VanDerWaalsContact N-O 3.11Å; T64-F73 PolarHBondContact O-N 3.11Å
65	R	95.9	Very high	92.5	Very high	69 Å²	69	57.1 Å²	57.1	26%	0.26	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	152.2	174.2	69.5	177.4	174.3	-172	5.1	113.2	I21 I45 Y46 Y47 S48 T67 Q71 F72	I21-R65 HydrophobicContact CD1-CB 4.06Å; I45-R65 HydrophobicContact CD1-CB 4.03Å; I45-R65 HydrophobicContact CD1-CG 3.72Å; Y46-R65 PolarHBondContact O-NH1 3.09Å; Y47-R65 PolarHBondContact O-NH1 3.03Å; Y47-R65 PolarHBondContact O-NH2 3.25Å; S48-R65 VanDerWaalsContact C-NH2 3.29Å; S48-R65 PolarHBondContact O-NH2 2.89Å; R65-T67 HydrophobicContact CG-CG2 4.26Å; R65-Q71 CarbonylContact C-O 3.48Å; R65-Q71 WeakPolarHBondContact CA-O 3.46Å; R65-Q71 WeakPolarHBondContact CB-O 3.47Å; R65-F72 HydrophobicContact CB-CB 4.02Å
66	D	96	Very high	92.8	Very high	38 Å²	38	51.9 Å²	51.9	20%	0.203	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	102.4	168.4	-176.7	-16.8	0	0	0	108	S68 K69 N70 Q71 F73	D66-S68 VanDerWaalsContact C-N 3.27Å; D66-S68 PolarHBondContact O-N 3.01Å; D66-S68 WeakPolarHBondContact OD1-CB 3.34Å; D66-S68 PolarHBondContact OD1-N 3.35Å; D66-S68 PolarHBondContact OD1-OG 3.32Å; D66-K69 HydrophobicContact CB-CB 4.4Å; D66-K69 PolarHBondContact O-N 2.95Å; D66-K69 PolarHBondContact OD1-N 3.05Å; D66-K69 WeakPolarHBondContact OD2-CD 3.27Å; D66-K69 VanDerWaalsContact OD2-CE 3.29Å; D66-K69 WeakPolarHBondContact OD2-CE 3.31Å; D66-K69 WeakPolarHBondContact OD2-CG 3.46Å; D66-K69 IonicContact OD2-NZ 2.97Å; D66-K69 PolarHBondContact OD2-NZ 2.85Å; D66-N70 PolarHBondContact O-N 2.81Å; D66-Q71 PolarHBondContact N-O 3.46Å; D66-Q71 PolarHBondContact O-N 2.7Å; D66-F73 HydrophobicContact CB-CE2 3.76Å; D66-F73 HydrophobicContact CB-CZ 4.22Å
67	T	94.6	Very high	93.2	Very high	79 Å²	79	49.5 Å²	49.5	49%	0.485	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-23.4	-177.8	57.5	0	0	0	0	112.4	T22 R65 K69 N70	T22-T67 HydrophobicContact CG2-CG2 3.37Å; R65-T67 HydrophobicContact CG-CG2 4.26Å; T67-K69 VanDerWaalsContact C-N 3.3Å; T67-N70 PolarHBondContact O-N 2.93Å
68	S	94.8	Very high	93.8	Very high	102 Å²	102	52.2 Å²	52.2	71%	0.713	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-30.6	177	75.8	0	0	0	0	111.9	D66	D66-S68 VanDerWaalsContact C-N 3.27Å; D66-S68 PolarHBondContact O-N 3.01Å; D66-S68 WeakPolarHBondContact OD1-CB 3.34Å; D66-S68 PolarHBondContact OD1-N 3.35Å; D66-S68 PolarHBondContact OD1-OG 3.32Å
69	K	96.3	Very high	94.4	Very high	126 Å²	126	49.1 Å²	49.1	55%	0.548	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-1.5	178.1	-62.1	-178.5	-167.9	157.7	0	113.8	D66 T67 Q71	D66-K69 HydrophobicContact CB-CB 4.4Å; D66-K69 PolarHBondContact O-N 2.95Å; D66-K69 PolarHBondContact OD1-N 3.05Å; D66-K69 WeakPolarHBondContact OD2-CD 3.27Å; D66-K69 VanDerWaalsContact OD2-CE 3.29Å; D66-K69 WeakPolarHBondContact OD2-CE 3.31Å; D66-K69 WeakPolarHBondContact OD2-CG 3.46Å; D66-K69 IonicContact OD2-NZ 2.97Å; D66-K69 PolarHBondContact OD2-NZ 2.85Å; T67-K69 VanDerWaalsContact C-N 3.3Å; K69-Q71 VanDerWaalsContact C-N 3.26Å; K69-Q71 HydrophobicContact CB-CB 4.29Å; K69-Q71 HydrophobicContact CB-CG 4.07Å; K69-Q71 PolarHBondContact O-N 3.03Å
70	N	96.1	Very high	94.7	Very high	30 Å²	30	46.3 Å²	46.3	16%	0.16	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	43.4	-174.9	-156	42.2	0	0	0	112.6	V16 I19 S20 I21 D66 T67	V16-N70 PolarHBondContact N-O 3.38Å; V16-N70 PolarHBondContact O-ND2 3.15Å; I19-N70 PolarHBondContact O-ND2 2.89Å; S20-N70 WeakPolarHBondContact CA-OD1 3.49Å; I21-N70 WeakPolarHBondContact CG1-OD1 3.38Å; I21-N70 WeakPolarHBondContact CG2-OD1 3.43Å; I21-N70 PolarHBondContact N-OD1 3.01Å; D66-N70 PolarHBondContact O-N 2.81Å; T67-N70 PolarHBondContact O-N 2.93Å
71	Q	97.1	Very high	94.8	Very high	39 Å²	39	46.5 Å²	46.5	18%	0.182	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	149.5	-174.4	-77.6	172.8	-14	0	0	111.5	T13 C14 T15 I21 R65 D66 K69 F73	T13-Q71 HydrophobicContact CG2-CB 4.44Å; T13-Q71 HydrophobicContact CG2-CG 4.17Å; C14-Q71 VanDerWaalsContact O-CA 3.3Å; C14-Q71 WeakPolarHBondContact O-CA 3.49Å; T15-Q71 HydrophobicContact CG2-CG 4.1Å; T15-Q71 WeakPolarHBondContact OG1-CG 3.43Å; T15-Q71 PolarHBondContact OG1-NE2 2.89Å; I21-Q71 VanDerWaalsContact CD1-O 3.31Å; I21-Q71 WeakPolarHBondContact CD1-O 3.35Å; R65-Q71 CarbonylContact C-O 3.48Å; R65-Q71 WeakPolarHBondContact CA-O 3.46Å; R65-Q71 WeakPolarHBondContact CB-O 3.47Å; D66-Q71 PolarHBondContact N-O 3.46Å; D66-Q71 PolarHBondContact O-N 2.7Å; K69-Q71 VanDerWaalsContact C-N 3.26Å; K69-Q71 HydrophobicContact CB-CB 4.29Å; K69-Q71 HydrophobicContact CB-CG 4.07Å; K69-Q71 PolarHBondContact O-N 3.03Å; Q71-F73 HydrophobicContact CB-CE1 4.38Å; Q71-F73 HydrophobicContact CB-CE2 3.97Å; Q71-F73 HydrophobicContact CB-CZ 3.65Å
72	F	96.3	Very high	94.7	Very high	1 Å²	1	53.1 Å²	53.1	0%	0.004	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	153.3	166.3	66.1	-80.9	0	0	0	110.8	C14 V16 I21 W28 W30 I45 T64 R65 C89	C14-F72 HydrophobicContact CB-CD1 3.99Å; C14-F72 HydrophobicContact CB-CD2 4.3Å; C14-F72 HydrophobicContact CB-CE1 3.62Å; C14-F72 HydrophobicContact CB-CE2 3.95Å; C14-F72 HydrophobicContact CB-CG 4.34Å; C14-F72 HydrophobicContact CB-CZ 3.63Å; C14-F72 PolarHBondContact N-O 2.82Å; C14-F72 PolarHBondContact O-N 2.78Å; C14-F72 WeakPolarHBondContact SG-CE1 3.49Å; C14-F72 VanDerWaalsContact SG-CZ 3.53Å; V16-F72 HydrophobicContact CG2-CD1 4.2Å; V16-F72 HydrophobicContact CG2-CE1 3.74Å; I21-F72 HydrophobicContact CG2-CD1 4.42Å; W28-F72 HydrophobicContact CB-CD1 4.2Å; W28-F72 HydrophobicContact CB-CD2 4.25Å; W28-F72 HydrophobicContact CB-CE1 3.89Å; W28-F72 HydrophobicContact CB-CE2 3.96Å; W28-F72 HydrophobicContact CB-CG 4.34Å; W28-F72 HydrophobicContact CB-CZ 3.72Å; W28-F72 HydrophobicContact CD2-CE1 4.14Å; W28-F72 AromaticContact CE3-CE1 3.85Å; W28-F72 HydrophobicContact CE3-CE1 3.85Å; W28-F72 HydrophobicContact CE3-CZ 4.15Å; W28-F72 HydrophobicContact CG-CD1 4.47Å; W28-F72 HydrophobicContact CG-CE1 4.18Å; W28-F72 HydrophobicContact CG-CZ 4.43Å; W30-F72 HydrophobicContact CD2-CE2 4.36Å; W30-F72 AromaticContact CE2-CD2 3.8Å; W30-F72 AromaticContact CE2-CE2 3.73Å; W30-F72 HydrophobicContact CZ2-CD2 4.1Å; W30-F72 HydrophobicContact CZ2-CE2 4.11Å; W30-F72 AromaticContact NE1-CD2 3.32Å; W30-F72 VanDerWaalsContact NE1-CD2 3.32Å; W30-F72 AromaticContact NE1-CE2 3.53Å; I45-F72 HydrophobicContact CG2-CB 4.3Å; T64-F72 CarbonylContact O-C 3.58Å; T64-F72 WeakPolarHBondContact O-CA 3.3Å; T64-F72 WeakPolarHBondContact O-CB 3.18Å; R65-F72 HydrophobicContact CB-CB 4.02Å; F72-C89 HydrophobicContact CE1-CB 4.48Å; F72-C89 HydrophobicContact CE2-CB 3.85Å; F72-C89 HydrophobicContact CZ-CB 3.52Å
73	F	97.1	Very high	94.6	Very high	34 Å²	34	50.8 Å²	50.8	15%	0.149	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	148.6	-165	-49.8	-91.8	0	0	0	110.9	L12 T13 W30 I63 T64 D66 Q71	L12-F73 CarbonylContact O-C 3.58Å; L12-F73 WeakPolarHBondContact O-CA 3.36Å; T13-F73 HydrophobicContact CG2-CD1 3.85Å; T13-F73 HydrophobicContact CG2-CE1 3.44Å; T13-F73 VanDerWaalsContact CG2-CE1 3.44Å; T13-F73 HydrophobicContact CG2-CZ 4.28Å; T13-F73 WeakPolarHBondContact OG1-CD1 3.36Å; T13-F73 WeakPolarHBondContact OG1-CE1 3.44Å; W30-F73 PolarHBondContact NE1-O 2.99Å; I63-F73 WeakPolarHBondContact CA-O 2.99Å; T64-F73 PolarHBondContact N-O 2.86Å; T64-F73 VanDerWaalsContact N-O 3.11Å; T64-F73 PolarHBondContact O-N 3.11Å; D66-F73 HydrophobicContact CB-CE2 3.76Å; D66-F73 HydrophobicContact CB-CZ 4.22Å; Q71-F73 HydrophobicContact CB-CE1 4.38Å; Q71-F73 HydrophobicContact CB-CE2 3.97Å; Q71-F73 HydrophobicContact CB-CZ 3.65Å
74	L	96.9	Very high	94.5	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	111.6	166.7	172.1	65.2	0	0	0	107.9	S11 L12 W30 I42 T61 I63 M76 Y87	S11-L74 WeakPolarHBondContact CA-O 3.42Å; L12-L74 HydrophobicContact CB-CB 4.36Å; L12-L74 HydrophobicContact CD1-CD2 4.28Å; L12-L74 PolarHBondContact N-O 2.92Å; L12-L74 PolarHBondContact O-N 3.01Å; W30-L74 HydrophobicContact CB-CD2 4.05Å; W30-L74 HydrophobicContact CD2-CB 3.63Å; W30-L74 HydrophobicContact CD2-CD2 4.04Å; W30-L74 HydrophobicContact CD2-CG 4.45Å; W30-L74 VanDerWaalsContact CE2-CB 3.46Å; W30-L74 HydrophobicContact CE3-CB 4.25Å; W30-L74 HydrophobicContact CE3-CD2 4.2Å; W30-L74 HydrophobicContact CG-CB 3.83Å; W30-L74 HydrophobicContact CG-CD2 3.99Å; W30-L74 HydrophobicContact CG-CG 4.38Å; W30-L74 HydrophobicContact CZ2-CB 3.94Å; I42-L74 HydrophobicContact CD1-CD2 3.65Å; I42-L74 HydrophobicContact CG2-CD1 4.06Å; I42-L74 HydrophobicContact CG2-CD2 4.43Å; T61-L74 HydrophobicContact CG2-CD1 4.44Å; I63-L74 HydrophobicContact CG1-CD1 4.01Å; L74-M76 HydrophobicContact CD1-CG 4.25Å; L74-M76 HydrophobicContact CD2-CG 4.23Å; L74-M76 HydrophobicContact CD2-SD 4.03Å; L74-M76 HydrophobicContact CG-CG 3.95Å; L74-M76 HydrophobicContact CG-SD 4.4Å; L74-Y87 HydrophobicContact CD2-CD1 3.91Å; L74-Y87 HydrophobicContact CD2-CE1 4.16Å
75	E	95.5	Very high	94.5	Very high	73 Å²	73	49.4 Å²	49.4	34%	0.341	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	132.9	169.3	-171.9	-179.5	92.6	0	0	109.3	T9 V10 T61 T62 N77	T9-E75 HydrophobicContact CG2-CG 3.81Å; V10-E75 WeakPolarHBondContact O-CA 3.4Å; T61-E75 CarbonylContact C-O 3.59Å; T61-E75 WeakPolarHBondContact CA-O 3.31Å; T62-E75 PolarHBondContact N-O 2.94Å; T62-E75 PolarHBondContact O-N 3.32Å; E75-N77 PolarHBondContact OE1-ND2 2.88Å
76	M	93.8	Very high	94.6	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.02	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	124.8	175.9	-61	-177.8	-69.3	0	0	109	T9 V10 L12 R60 T61 L74 L79 Y87 L106	T9-M76 VanDerWaalsContact CA-O 3.31Å; T9-M76 WeakPolarHBondContact CA-O 3.5Å; V10-M76 HydrophobicContact CG1-CB 4.22Å; V10-M76 HydrophobicContact CG1-CE 3.55Å; V10-M76 PolarHBondContact N-O 3.16Å; V10-M76 PolarHBondContact O-N 2.98Å; L12-M76 HydrophobicContact CD1-CE 3.83Å; L12-M76 HydrophobicContact CG-CE 4.31Å; R60-M76 WeakPolarHBondContact O-CA 3.37Å; T61-M76 HydrophobicContact CG2-CG 4.24Å; L74-M76 HydrophobicContact CD1-CG 4.25Å; L74-M76 HydrophobicContact CD2-CG 4.23Å; L74-M76 HydrophobicContact CD2-SD 4.03Å; L74-M76 HydrophobicContact CG-CG 3.95Å; L74-M76 HydrophobicContact CG-SD 4.4Å; M76-L79 HydrophobicContact CB-CD2 3.85Å; M76-L79 HydrophobicContact CE-CD2 4.28Å; M76-Y87 HydrophobicContact CE-CD1 4.16Å; M76-Y87 HydrophobicContact CE-CE1 3.53Å; M76-Y87 HydrophobicContact CE-CE2 4.1Å; M76-Y87 VanDerWaalsContact CE-CZ 3.5Å; M76-Y87 HydrophobicContact SD-CD1 4.29Å; M76-Y87 HydrophobicContact SD-CE1 3.34Å; M76-Y87 WeakPolarHBondContact SD-CE1 3.47Å; M76-Y87 VanDerWaalsContact SD-CZ 3.6Å; M76-Y87 PolarHBondContact SD-OH 2.9Å; M76-Y87 VanDerWaalsContact SD-OH 3.36Å; M76-L106 HydrophobicContact CE-CD2 3.65Å
77	N	93.1	Very high	94.6	Very high	47 Å²	47	45.7 Å²	45.7	25%	0.251	26%	0.259	S	S	.	.			trans	-104.5	152.6	-177.8	-66.7	-53	0	0	0	110.8	T9 R60 E75 L79	T9-N77 WeakPolarHBondContact CB-OD1 3.37Å; T9-N77 WeakPolarHBondContact CG2-OD1 3.33Å; T9-N77 PolarHBondContact OG1-OD1 3.15Å; R60-N77 PolarHBondContact O-N 3.16Å; E75-N77 PolarHBondContact OE1-ND2 2.88Å; N77-L79 PolarHBondContact O-N 2.92Å
78	S	91.6	Very high	94.7	Very high	72 Å²	72	44 Å²	44	50%	0.503	25%	0.245	S	C	.	.	S	Bend	trans	52.7	56.4	176.6	-56.5	0	0	0	0	112.3	R60	R60-S78 PolarHBondContact NH1-O 3.11Å
79	L	91.6	Very high	94.8	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.01	22%	0.217	C	C	.	.			trans	-60.8	141	-177.5	-71.6	173	0	0	0	112.5	V4 P6 S7 Q8 V10 M76 N77 D83 L106 V108	V4-L79 HydrophobicContact CG2-CD1 3.79Å; P6-L79 CarbonylContact C-O 3.57Å; P6-L79 WeakPolarHBondContact CA-O 3.27Å; S7-L79 PolarHBondContact N-O 3.37Å; Q8-L79 VanDerWaalsContact O-CG 3.29Å; Q8-L79 WeakPolarHBondContact O-CG 3.45Å; Q8-L79 PolarHBondContact O-N 2.89Å; V10-L79 HydrophobicContact CB-CD1 4.02Å; V10-L79 HydrophobicContact CG1-CD1 3.79Å; V10-L79 HydrophobicContact CG1-CD2 4.32Å; M76-L79 HydrophobicContact CB-CD2 3.85Å; M76-L79 HydrophobicContact CE-CD2 4.28Å; N77-L79 PolarHBondContact O-N 2.92Å; L79-D83 WeakPolarHBondContact CA-OD2 3.25Å; L79-D83 HydrophobicContact CD2-CB 3.75Å; L79-L106 HydrophobicContact CD1-CD2 4.2Å; L79-L106 HydrophobicContact CD2-CD2 4.14Å; L79-V108 HydrophobicContact CB-CG1 4.16Å; L79-V108 HydrophobicContact CB-CG2 4.21Å; L79-V108 HydrophobicContact CD1-CG2 4.41Å
80	T	92.3	Very high	94.8	Very high	54 Å²	54	34.2 Å²	34.2	33%	0.331	19%	0.192	S	C	.	.			trans	-120.7	168.9	174	72.2	0	0	0	0	110.7	E82 D83 V108	T80-E82 PolarHBondContact O-N 2.96Å; T80-E82 VanDerWaalsContact O-N 3.13Å; T80-E82 PolarHBondContact OG1-N 2.85Å; T80-D83 PolarHBondContact N-OD2 2.76Å; T80-D83 WeakPolarHBondContact O-CB 3.38Å; T80-D83 PolarHBondContact O-N 3.36Å; T80-V108 VanDerWaalsContact O-CB 3.27Å; T80-V108 WeakPolarHBondContact O-CB 3.41Å; T80-V108 WeakPolarHBondContact O-CG1 3.44Å; T80-V108 WeakPolarHBondContact O-CG2 3.13Å
81	A	91.9	Very high	94.6	Very high	71 Å²	71	34.2 Å²	34.2	59%	0.587	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-55.5	-29.5	175.2	0	0	0	0	0	112.7	D83 T84	A81-D83 PolarHBondContact O-N 2.91Å; A81-T84 VanDerWaalsContact O-CB 3.27Å; A81-T84 WeakPolarHBondContact O-CB 3.12Å; A81-T84 PolarHBondContact O-N 2.96Å; A81-T84 VanDerWaalsContact O-N 3.15Å; A81-T84 PolarHBondContact O-OG1 2.82Å
82	E	90.6	Very high	94.2	Very high	153 Å²	153	32.8 Å²	32.8	72%	0.715	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-67.9	-18.2	177	-58.5	179.9	172.5	0	0	113.1	F34 T80 T84	F34-E82 WeakPolarHBondContact CE1-O 3.34Å; T80-E82 PolarHBondContact O-N 2.96Å; T80-E82 VanDerWaalsContact O-N 3.13Å; T80-E82 PolarHBondContact OG1-N 2.85Å; E82-T84 PolarHBondContact O-N 2.82Å
83	D	92.3	Very high	93.5	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.021	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-83.2	5.5	175	-58.2	-48.8	0	0	0	112.3	R32 R60 L79 T80 A81 A85 Y87 V108	R32-D83 IonicContact NH1-OD1 3.84Å; R32-D83 PolarHBondContact NH1-OD1 3.25Å; R60-D83 IonicContact CZ-OD1 3.73Å; R60-D83 IonicContact CZ-OD2 2.73Å; R60-D83 IonicContact NH1-OD1 2.99Å; R60-D83 IonicContact NH1-OD2 3.39Å; R60-D83 PolarHBondContact NH1-OD2 3.39Å; R60-D83 IonicContact NH2-OD1 3.54Å; R60-D83 PolarHBondContact NH2-OD1 2.74Å; R60-D83 IonicContact NH2-OD2 2.72Å; R60-D83 PolarHBondContact NH2-OD2 2.85Å; L79-D83 WeakPolarHBondContact CA-OD2 3.25Å; L79-D83 HydrophobicContact CD2-CB 3.75Å; T80-D83 PolarHBondContact N-OD2 2.76Å; T80-D83 WeakPolarHBondContact O-CB 3.38Å; T80-D83 PolarHBondContact O-N 3.36Å; A81-D83 PolarHBondContact O-N 2.91Å; D83-A85 PolarHBondContact O-N 2.97Å; D83-A85 VanDerWaalsContact O-N 3.15Å; D83-Y87 WeakPolarHBondContact O-CE2 3.45Å; D83-Y87 PolarHBondContact O-OH 3.14Å; D83-V108 HydrophobicContact CB-CG2 4.24Å
84	T	95	Very high	92.3	Very high	35 Å²	35	40.9 Å²	40.9	22%	0.215	22%	0.221	C	C	.	.			trans	-69.8	107.6	171.7	-63.5	0	0	0	0	110.4	A81 E82 L106 T107 V108	A81-T84 VanDerWaalsContact O-CB 3.27Å; A81-T84 WeakPolarHBondContact O-CB 3.12Å; A81-T84 PolarHBondContact O-N 2.96Å; A81-T84 VanDerWaalsContact O-N 3.15Å; A81-T84 PolarHBondContact O-OG1 2.82Å; E82-T84 PolarHBondContact O-N 2.82Å; T84-L106 WeakPolarHBondContact CA-O 3.31Å; T84-T107 HydrophobicContact CG2-CG2 4.33Å; T84-V108 PolarHBondContact OG1-N 2.58Å
85	A	96.2	Very high	91.1	Very high	4 Å²	4	47.2 Å²	47.2	3%	0.033	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	167.1	-177.9	0	0	0	0	0	111.4	R32 Q33 F34 D83 Y87 L106	R32-A85 HydrophobicContact CB-CB 3.88Å; R32-A85 HydrophobicContact CG-CB 4.5Å; Q33-A85 WeakPolarHBondContact O-CA 3.45Å; Q33-A85 WeakPolarHBondContact O-CB 3.34Å; F34-A85 HydrophobicContact CD1-CB 4.24Å; D83-A85 PolarHBondContact O-N 2.97Å; D83-A85 VanDerWaalsContact O-N 3.15Å; A85-Y87 HydrophobicContact CB-CD2 4.34Å; A85-Y87 HydrophobicContact CB-CE2 3.83Å; A85-Y87 WeakPolarHBondContact O-CD2 3.07Å; A85-L106 PolarHBondContact N-O 3.41Å; A85-L106 VanDerWaalsContact N-O 3.16Å; A85-L106 PolarHBondContact O-N 3.45Å
86	T	97.2	Very high	90.2	Very high	29 Å²	29	52.6 Å²	52.6	18%	0.178	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	120.5	163.8	-54	0	0	0	0	109.2	R32 Q33 Y88	R32-T86 CarbonylContact C-O 3.6Å; R32-T86 WeakPolarHBondContact CA-O 3.2Å; Q33-T86 PolarHBondContact N-O 2.91Å; Q33-T86 PolarHBondContact O-N 3.26Å; T86-Y88 HydrophobicContact CG2-CD2 4.31Å; T86-Y88 HydrophobicContact CG2-CE1 4.04Å; T86-Y88 HydrophobicContact CG2-CE2 3.56Å; T86-Y88 VanDerWaalsContact CG2-CZ 3.42Å; T86-Y88 WeakPolarHBondContact CG2-OH 3.49Å; T86-Y88 WeakPolarHBondContact O-CD2 3.39Å; T86-Y88 WeakPolarHBondContact O-CE2 3.43Å
87	Y	96.9	Very high	89.7	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	124.8	-178.7	-70.5	-100.7	0	0	0	110.1	L12 I31 R32 I42 L74 M76 D83 A85 G103 T104 L106	L12-Y87 VanDerWaalsContact CD1-CB 3.47Å; L12-Y87 HydrophobicContact CD1-CD1 3.67Å; L12-Y87 HydrophobicContact CD1-CD2 4.03Å; L12-Y87 HydrophobicContact CD1-CE1 4.4Å; L12-Y87 HydrophobicContact CD1-CG 3.45Å; L12-Y87 VanDerWaalsContact CD1-CG 3.45Å; I31-Y87 CarbonylContact O-C 3.55Å; I31-Y87 WeakPolarHBondContact O-CA 3.37Å; R32-Y87 HydrophobicContact CB-CD1 3.88Å; R32-Y87 HydrophobicContact CB-CE1 3.8Å; R32-Y87 HydrophobicContact CB-CG 4.32Å; R32-Y87 HydrophobicContact CG-CE1 4.48Å; I42-Y87 HydrophobicContact CD1-CD1 3.74Å; I42-Y87 HydrophobicContact CD1-CE1 3.62Å; L74-Y87 HydrophobicContact CD2-CD1 3.91Å; L74-Y87 HydrophobicContact CD2-CE1 4.16Å; M76-Y87 HydrophobicContact CE-CD1 4.16Å; M76-Y87 HydrophobicContact CE-CE1 3.53Å; M76-Y87 HydrophobicContact CE-CE2 4.1Å; M76-Y87 VanDerWaalsContact CE-CZ 3.5Å; M76-Y87 HydrophobicContact SD-CD1 4.29Å; M76-Y87 HydrophobicContact SD-CE1 3.34Å; M76-Y87 WeakPolarHBondContact SD-CE1 3.47Å; M76-Y87 VanDerWaalsContact SD-CZ 3.6Å; M76-Y87 PolarHBondContact SD-OH 2.9Å; M76-Y87 VanDerWaalsContact SD-OH 3.36Å; D83-Y87 WeakPolarHBondContact O-CE2 3.45Å; D83-Y87 PolarHBondContact O-OH 3.14Å; A85-Y87 HydrophobicContact CB-CD2 4.34Å; A85-Y87 HydrophobicContact CB-CE2 3.83Å; A85-Y87 WeakPolarHBondContact O-CD2 3.07Å; Y87-G103 CarbonylContact O-C 3.59Å; Y87-G103 VanDerWaalsContact O-CA 3.26Å; Y87-G103 WeakPolarHBondContact O-CA 3.42Å; Y87-T104 PolarHBondContact N-O 3.17Å; Y87-T104 PolarHBondContact O-N 3.41Å; Y87-L106 HydrophobicContact CD2-CB 3.97Å; Y87-L106 HydrophobicContact CE2-CB 3.8Å; Y87-L106 HydrophobicContact CE2-CD2 3.94Å
88	Y	97.1	Very high	89.3	Confident	45 Å²	45	57.2 Å²	57.2	18%	0.176	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	141.1	178.1	-59.3	-89.2	0	0	0	109.5	W30 I31 Q33 T86 W100 G103	W30-Y88 WeakPolarHBondContact CA-O 3.36Å; I31-Y88 PolarHBondContact N-O 2.97Å; I31-Y88 PolarHBondContact O-N 2.78Å; Q33-Y88 HydrophobicContact CB-CD2 4.29Å; Q33-Y88 HydrophobicContact CB-CE2 3.63Å; Q33-Y88 PolarHBondContact OE1-OH 2.8Å; T86-Y88 HydrophobicContact CG2-CD2 4.31Å; T86-Y88 HydrophobicContact CG2-CE1 4.04Å; T86-Y88 HydrophobicContact CG2-CE2 3.56Å; T86-Y88 VanDerWaalsContact CG2-CZ 3.42Å; T86-Y88 WeakPolarHBondContact CG2-OH 3.49Å; T86-Y88 WeakPolarHBondContact O-CD2 3.39Å; T86-Y88 WeakPolarHBondContact O-CE2 3.43Å; Y88-W100 HydrophobicContact CD1-CE3 4.28Å; Y88-W100 HydrophobicContact CD2-CZ3 4.38Å; Y88-W100 AromaticContact CG-CE3 3.97Å; Y88-W100 HydrophobicContact CG-CE3 3.97Å; Y88-W100 HydrophobicContact CG-CZ3 4.13Å; Y88-G103 VanDerWaalsContact CE1-CA 3.45Å
89	C	95.9	Very high	89.2	Confident	19 Å²	19	60.8 Å²	60.8	13%	0.128	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	140.8	158.6	58.3	0	0	0	0	109.3	C14 S29 W30 F72 G101	C14-C89 HydrophobicContact CB-CB 3.4Å; C14-C89 WeakPolarHBondContact CB-SG 3.41Å; C14-C89 WeakPolarHBondContact SG-CB 3.33Å; C14-C89 CovalentContact SG-SG 2.04Å; C14-C89 PolarHBondContact SG-SG 3.1Å; S29-C89 CarbonylContact O-C 3.55Å; S29-C89 WeakPolarHBondContact O-CA 3.31Å; W30-C89 HydrophobicContact CE3-CB 4.21Å; W30-C89 HydrophobicContact CH2-CB 4.24Å; W30-C89 HydrophobicContact CZ3-CB 4.06Å; F72-C89 HydrophobicContact CE1-CB 4.48Å; F72-C89 HydrophobicContact CE2-CB 3.85Å; F72-C89 HydrophobicContact CZ-CB 3.52Å; C89-G101 PolarHBondContact O-N 3.34Å
90	A	95.5	Very high	89.3	Confident	3 Å²	3	65.9 Å²	65.9	3%	0.025	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	146.3	179.8	0	0	0	0	0	111.1	S29 I31 F97 Y99 W100	S29-A90 PolarHBondContact N-O 3.5Å; S29-A90 PolarHBondContact O-N 2.78Å; I31-A90 HydrophobicContact CD1-CB 3.99Å; A90-F97 HydrophobicContact CB-CD1 3.59Å; A90-F97 HydrophobicContact CB-CE1 4.15Å; A90-F97 HydrophobicContact CB-CG 4.44Å; A90-Y99 CarbonylContact C-O 3.42Å; A90-Y99 WeakPolarHBondContact CA-O 3.24Å; A90-Y99 WeakPolarHBondContact CB-O 3.43Å; A90-W100 HydrophobicContact CB-CD2 3.92Å; A90-W100 HydrophobicContact CB-CE3 4.2Å; A90-W100 HydrophobicContact CB-CG 4.23Å
91	R	93.7	Very high	89.4	Confident	30 Å²	30	64.6 Å²	64.6	11%	0.113	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	140.4	167.7	-169.7	179	81.9	176.4	14.5	108.7	Y26 W28 F97 D98 Y99	Y26-R91 HydrophobicContact CD1-CG 3.96Å; Y26-R91 HydrophobicContact CG-CG 4.06Å; W28-R91 HydrophobicContact CE3-CB 3.98Å; W28-R91 HydrophobicContact CE3-CG 4.17Å; W28-R91 HydrophobicContact CH2-CB 4.21Å; W28-R91 HydrophobicContact CH2-CG 3.92Å; W28-R91 HydrophobicContact CZ2-CG 4.37Å; W28-R91 HydrophobicContact CZ3-CB 3.62Å; W28-R91 HydrophobicContact CZ3-CG 3.8Å; R91-F97 WeakPolarHBondContact O-CA 2.85Å; R91-D98 WeakPolarHBondContact CB-OD1 3.3Å; R91-D98 IonicContact CZ-OD1 3.93Å; R91-D98 IonicContact CZ-OD2 2.63Å; R91-D98 IonicContact NE-OD1 3.48Å; R91-D98 PolarHBondContact NE-OD1 2.77Å; R91-D98 IonicContact NE-OD2 3.84Å; R91-D98 PolarHBondContact NE-OD2 3.05Å; R91-D98 IonicContact NH2-OD1 3Å; R91-D98 IonicContact NH2-OD2 3.02Å; R91-D98 PolarHBondContact NH2-OD2 3.29Å; R91-D98 PolarHBondContact O-N 2.98Å; R91-D98 VanDerWaalsContact O-OD1 3.07Å; R91-Y99 PolarHBondContact N-O 3.25Å
92	N	88.1	Confident	89.5	Confident	8 Å²	8	70.2 Å²	70.2	4%	0.043	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	149.9	168.2	62.3	-62.5	0	0	0	113.9	R27 S29 Y96 F97	R27-N92 WeakPolarHBondContact CB-OD1 3.42Å; R27-N92 WeakPolarHBondContact CD-ND2 3.35Å; R27-N92 PolarHBondContact N-O 3.39Å; R27-N92 PolarHBondContact O-N 3.05Å; R27-N92 PolarHBondContact O-OD1 2.91Å; R27-N92 VanDerWaalsContact O-OD1 3.11Å; S29-N92 PolarHBondContact OG-OD1 3.36Å; N92-Y96 WeakPolarHBondContact CA-O 3.03Å; N92-Y96 WeakPolarHBondContact CB-O 3.44Å; N92-F97 HydrophobicContact CB-CD1 3.57Å; N92-F97 HydrophobicContact CB-CE1 3.64Å; N92-F97 HydrophobicContact CB-CG 4.21Å; N92-F97 HydrophobicContact CB-CZ 4.38Å
93	W	81	Confident	89.7	Confident	102 Å²	102	63.9 Å²	63.9	39%	0.386	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	130.8	174.3	-179.6	-63.7	0	0	0	107.9	G24 N25 Y26 D95 Y96	G24-W93 WeakPolarHBondContact O-CZ3 3.31Å; N25-W93 HydrophobicContact CB-CE3 4.35Å; N25-W93 HydrophobicContact CB-CH2 3.98Å; N25-W93 HydrophobicContact CB-CZ3 3.9Å; Y26-W93 HydrophobicContact CD1-CB 4.42Å; Y26-W93 AromaticContact CD1-CE3 3.66Å; Y26-W93 HydrophobicContact CD1-CE3 3.66Å; Y26-W93 HydrophobicContact CD1-CZ3 4.44Å; Y26-W93 HydrophobicContact CE1-CD2 4.45Å; Y26-W93 AromaticContact CE1-CE3 3.42Å; Y26-W93 HydrophobicContact CE1-CE3 3.42Å; Y26-W93 VanDerWaalsContact CE1-CE3 3.42Å; Y26-W93 HydrophobicContact CE1-CZ3 4.01Å; W93-D95 VanDerWaalsContact C-N 3.29Å; W93-D95 PolarHBondContact O-N 3.25Å; W93-D95 VanDerWaalsContact O-N 3.16Å; W93-Y96 PolarHBondContact N-O 3.45Å; W93-Y96 VanDerWaalsContact N-O 3.09Å; W93-Y96 PolarHBondContact O-N 3.45Å
94	D	71.5	Confident	89.9	Confident	104 Å²	104	65.9 Å²	65.9	56%	0.556	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	40	53.7	179.7	-63.6	-27	0	0	0	114.2	Y96	D94-Y96 VanDerWaalsContact O-CD2 3.27Å; D94-Y96 WeakPolarHBondContact O-CD2 3.25Å; D94-Y96 PolarHBondContact O-N 2.93Å
95	D	71.6	Confident	89.9	Confident	132 Å²	132	67.9 Å²	67.9	71%	0.706	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	4.3	175.8	-51.6	-32.8	0	0	0	116.8	R27 W93	R27-D95 IonicContact NH1-OD1 3.45Å; R27-D95 PolarHBondContact NH1-OD1 3.22Å; W93-D95 VanDerWaalsContact C-N 3.29Å; W93-D95 PolarHBondContact O-N 3.25Å; W93-D95 VanDerWaalsContact O-N 3.16Å
96	Y	78.1	Confident	89.9	Confident	186 Å²	186	67.7 Å²	67.7	73%	0.729	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.8	131	171.1	-69	-86.1	0	0	0	112	N92 W93 D94	N92-Y96 WeakPolarHBondContact CA-O 3.03Å; N92-Y96 WeakPolarHBondContact CB-O 3.44Å; W93-Y96 PolarHBondContact N-O 3.45Å; W93-Y96 VanDerWaalsContact N-O 3.09Å; W93-Y96 PolarHBondContact O-N 3.45Å; D94-Y96 VanDerWaalsContact O-CD2 3.27Å; D94-Y96 WeakPolarHBondContact O-CD2 3.25Å; D94-Y96 PolarHBondContact O-N 2.93Å
97	F	82.9	Confident	89.7	Confident	79 Å²	79	68.9 Å²	68.9	35%	0.346	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	113.5	168	-66.8	-76.7	0	0	0	109.8	I31 A90 R91 N92 W100	I31-F97 HydrophobicContact CD1-CD1 4.05Å; I31-F97 HydrophobicContact CD1-CD2 4.5Å; I31-F97 HydrophobicContact CD1-CE1 3.7Å; I31-F97 HydrophobicContact CD1-CE2 4.15Å; I31-F97 HydrophobicContact CD1-CG 4.46Å; I31-F97 HydrophobicContact CD1-CZ 3.75Å; A90-F97 HydrophobicContact CB-CD1 3.59Å; A90-F97 HydrophobicContact CB-CE1 4.15Å; A90-F97 HydrophobicContact CB-CG 4.44Å; R91-F97 WeakPolarHBondContact O-CA 2.85Å; N92-F97 HydrophobicContact CB-CD1 3.57Å; N92-F97 HydrophobicContact CB-CE1 3.64Å; N92-F97 HydrophobicContact CB-CG 4.21Å; N92-F97 HydrophobicContact CB-CZ 4.38Å; F97-W100 HydrophobicContact CB-CZ2 3.97Å; F97-W100 HydrophobicContact CD2-CZ2 4.24Å; F97-W100 HydrophobicContact CG-CZ2 4Å
98	D	84.6	Confident	89.5	Confident	69 Å²	69	69.1 Å²	69.1	37%	0.369	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	-28.4	-173.6	55.1	-2.4	0	0	0	113.2	R91	R91-D98 WeakPolarHBondContact CB-OD1 3.3Å; R91-D98 IonicContact CZ-OD1 3.93Å; R91-D98 IonicContact CZ-OD2 2.63Å; R91-D98 IonicContact NE-OD1 3.48Å; R91-D98 PolarHBondContact NE-OD1 2.77Å; R91-D98 IonicContact NE-OD2 3.84Å; R91-D98 PolarHBondContact NE-OD2 3.05Å; R91-D98 IonicContact NH2-OD1 3Å; R91-D98 IonicContact NH2-OD2 3.02Å; R91-D98 PolarHBondContact NH2-OD2 3.29Å; R91-D98 PolarHBondContact O-N 2.98Å; R91-D98 VanDerWaalsContact O-OD1 3.07Å
99	Y	89.7	Confident	89.1	Confident	148 Å²	148	69.3 Å²	69.3	58%	0.58	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.3	134.2	176	-66	-91.1	0	0	0	111.6	A90 R91	A90-Y99 CarbonylContact C-O 3.42Å; A90-Y99 WeakPolarHBondContact CA-O 3.24Å; A90-Y99 WeakPolarHBondContact CB-O 3.43Å; R91-Y99 PolarHBondContact N-O 3.25Å
100	W	94.4	Very high	88.2	Confident	108 Å²	108	75.6 Å²	75.6	41%	0.409	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	138.3	177	-69.2	70.7	0	0	0	110.1	I31 L39 Y88 A90 F97	I31-W100 HydrophobicContact CB-CH2 4.34Å; I31-W100 HydrophobicContact CB-CZ3 4.13Å; I31-W100 HydrophobicContact CD1-CE3 4.49Å; I31-W100 HydrophobicContact CD1-CH2 3.23Å; I31-W100 HydrophobicContact CD1-CZ2 3.79Å; I31-W100 HydrophobicContact CD1-CZ3 3.64Å; I31-W100 HydrophobicContact CG1-CH2 4.35Å; I31-W100 HydrophobicContact CG1-CZ3 4.48Å; I31-W100 HydrophobicContact CG2-CH2 4.08Å; I31-W100 HydrophobicContact CG2-CZ3 4.1Å; L39-W100 HydrophobicContact CD1-CH2 4.49Å; Y88-W100 HydrophobicContact CD1-CE3 4.28Å; Y88-W100 HydrophobicContact CD2-CZ3 4.38Å; Y88-W100 AromaticContact CG-CE3 3.97Å; Y88-W100 HydrophobicContact CG-CE3 3.97Å; Y88-W100 HydrophobicContact CG-CZ3 4.13Å; A90-W100 HydrophobicContact CB-CD2 3.92Å; A90-W100 HydrophobicContact CB-CE3 4.2Å; A90-W100 HydrophobicContact CB-CG 4.23Å; F97-W100 HydrophobicContact CB-CZ2 3.97Å; F97-W100 HydrophobicContact CD2-CZ2 4.24Å; F97-W100 HydrophobicContact CG-CZ2 4Å
101	G	94.3	Very high	87.8	Confident	28 Å²	28	79.3 Å²	79.3	29%	0.289	41%	0.407	S	S	.	.			trans	-68.5	166.4	166.6	0	0	0	0	0	111.3	C89 G103	C89-G101 PolarHBondContact O-N 3.34Å; G101-G103 PolarHBondContact O-N 3.32Å
102	Q	94.1	Very high	87.5	Confident	189 Å²	189	81.8 Å²	81.8	88%	0.883	42%	0.422	S	S	*	.			trans	-63.3	-11.4	179.4	-66.1	-61	-53.6	0	0	114
103	G	94.7	Very high	87.5	Confident	20 Å²	20	85.9 Å²	85.9	21%	0.206	44%	0.443	C	S	.	.			trans	79.8	164.9	-176.8	0	0	0	0	0	111.9	Y87 Y88 G101	Y87-G103 CarbonylContact O-C 3.59Å; Y87-G103 VanDerWaalsContact O-CA 3.26Å; Y87-G103 WeakPolarHBondContact O-CA 3.42Å; Y88-G103 VanDerWaalsContact CE1-CA 3.45Å; G101-G103 PolarHBondContact O-N 3.32Å
104	T	95.8	Very high	87.8	Confident	46 Å²	46	85 Å²	85	28%	0.282	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	113.7	-174.4	-70.4	0	0	0	0	109.9	P1 L12 Y87	P1-T104 HydrophobicContact CB-CG2 3.83Å; P1-T104 HydrophobicContact CG-CG2 3.17Å; L12-T104 HydrophobicContact CD2-CG2 4.39Å; Y87-T104 PolarHBondContact N-O 3.17Å; Y87-T104 PolarHBondContact O-N 3.41Å
105	T	95.8	Very high	88.9	Confident	77 Å²	77	83.8 Å²	83.8	47%	0.472	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	128	-177	-47.7	0	0	0	0	111	P1	P1-T105 CarbonylContact C-O 3.58Å; P1-T105 VanDerWaalsContact C-O 3.31Å
106	L	94.4	Very high	90	Very high	0 Å²	0	80.6 Å²	80.6	0%	0	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	128.7	170.8	-175	69.5	0	0	0	108.3	P1 V4 V10 M76 L79 T84 A85 Y87 V108	P1-L106 HydrophobicContact CB-CD1 4.13Å; V4-L106 HydrophobicContact CB-CD1 4.45Å; V4-L106 HydrophobicContact CG1-CD1 3.86Å; V4-L106 HydrophobicContact CG2-CD1 3.67Å; V4-L106 HydrophobicContact CG2-CG 4.13Å; V10-L106 HydrophobicContact CG1-CD1 4.48Å; V10-L106 HydrophobicContact CG1-CD2 3.92Å; V10-L106 HydrophobicContact CG2-CD1 4.29Å; M76-L106 HydrophobicContact CE-CD2 3.65Å; L79-L106 HydrophobicContact CD1-CD2 4.2Å; L79-L106 HydrophobicContact CD2-CD2 4.14Å; T84-L106 WeakPolarHBondContact CA-O 3.31Å; A85-L106 PolarHBondContact N-O 3.41Å; A85-L106 VanDerWaalsContact N-O 3.16Å; A85-L106 PolarHBondContact O-N 3.45Å; Y87-L106 HydrophobicContact CD2-CB 3.97Å; Y87-L106 HydrophobicContact CE2-CB 3.8Å; Y87-L106 HydrophobicContact CE2-CD2 3.94Å; L106-V108 HydrophobicContact CD2-CG2 4.4Å; L106-V108 HydrophobicContact CG-CG2 4.36Å
107	T	94.4	Very high	90.9	Very high	53 Å²	53	73.1 Å²	73.1	33%	0.325	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	118.8	176.3	-55.3	0	0	0	0	109	G2 L3 V4 T84	G2-T107 PolarHBondContact O-N 3.05Å; G2-T107 VanDerWaalsContact O-N 3.16Å; L3-T107 CarbonylContact C-O 3.31Å; L3-T107 WeakPolarHBondContact CA-O 3.29Å; L3-T107 HydrophobicContact CD1-CG2 3.79Å; V4-T107 WeakPolarHBondContact CG2-O 3.19Å; V4-T107 PolarHBondContact N-O 3.03Å; T84-T107 HydrophobicContact CG2-CG2 4.33Å
108	V	92.1	Very high	91.5	Very high	5 Å²	5	72.6 Å²	72.6	3%	0.03	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	107.3	179.3	-168.7	0	0	0	0	108.6	V4 P6 L79 T80 D83 T84 L106	V4-V108 HydrophobicContact CG2-CB 4.23Å; V4-V108 HydrophobicContact CG2-CG1 4.35Å; V4-V108 HydrophobicContact CG2-CG2 3.72Å; V4-V108 WeakPolarHBondContact O-CA 3.16Å; P6-V108 HydrophobicContact CG-CG1 4.29Å; L79-V108 HydrophobicContact CB-CG1 4.16Å; L79-V108 HydrophobicContact CB-CG2 4.21Å; L79-V108 HydrophobicContact CD1-CG2 4.41Å; T80-V108 VanDerWaalsContact O-CB 3.27Å; T80-V108 WeakPolarHBondContact O-CB 3.41Å; T80-V108 WeakPolarHBondContact O-CG1 3.44Å; T80-V108 WeakPolarHBondContact O-CG2 3.13Å; D83-V108 HydrophobicContact CB-CG2 4.24Å; T84-V108 PolarHBondContact OG1-N 2.58Å; L106-V108 HydrophobicContact CD2-CG2 4.4Å; L106-V108 HydrophobicContact CG-CG2 4.36Å
109	S	88.8	Confident	92	Very high	49 Å²	49	72.9 Å²	72.9	34%	0.343	41%	0.407	S	S	.	.			trans	-145	152.6	177.2	72.4	0	0	0	0	111.6	L3 V4	L3-S109 WeakPolarHBondContact CD1-OG 3.38Å; V4-S109 PolarHBondContact O-N 3.28Å
110	S	76.2	Confident	92.3	Very high	152 Å²	152	66.1 Å²	66.1	100%	1.063	39%	0.391	S	S	*	.			trans	-76.8	0	174.9	58.9	0	0	0	0	112.4

Retrieved 110 of 110 residues in 43.1 ms (Link to these results)

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