X5J5K1_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5K1, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 111 aa.

						>X5J5K1_MOUSE|X5J5K1
PGLVKPSQTVFLTCTVTGISITTGNYRWSWIRQFPGNKLEWIGYIYYSGTITYNPSLTSRTTITRDTPKNQFFLEMNSLTAEDTATYYCARDYSNYAMDYWGQGTSVTVSS
					

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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	51.6	Low	73.3	Confident	150 Å²	150	83.6 Å²	83.6	97%	0.974	48%	0.482	S	S	*	.				0	124.6	0	0.7	21.3	0	0	0	109.6
2	G	64.3	Low	75.2	Confident	46 Å²	46	77.7 Å²	77.7	47%	0.474	45%	0.447	S	S	.	.			trans	-110.3	139.1	-172.1	0	0	0	0	0	112
3	L	66.9	Low	76.8	Confident	130 Å²	130	76.8 Å²	76.8	68%	0.681	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.2	122.3	164.3	-178.9	70.5	0	0	0	108
4	V	68.2	Low	78.2	Confident	16 Å²	16	72.3 Å²	72.3	10%	0.097	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	135.3	-179.2	-175.2	0	0	0	0	108.2	Q8 L79 V107 T108 V109 S110	V4-Q8 HydrophobicContact CG1-CB 3.5Å; V4-Q8 HydrophobicContact CG1-CG 4.42Å; V4-L79 HydrophobicContact CB-CD1 4.47Å; V4-L79 HydrophobicContact CG1-CD1 3.76Å; V4-V107 HydrophobicContact CG2-CG1 4.16Å; V4-T108 PolarHBondContact N-O 3.3Å; V4-V109 WeakPolarHBondContact O-CA 3.24Å; V4-S110 PolarHBondContact O-N 3.3Å
5	K	68.7	Low	79.5	Confident	141 Å²	141	72.7 Å²	72.7	61%	0.613	42%	0.423	S	S	*	.			trans	-79.3	156.6	174.3	-65.6	-176.7	178.5	-177.8	0	110.3	Q8	K5-Q8 HydrophobicContact CB-CG 4.06Å; K5-Q8 VanDerWaalsContact O-CB 3.29Å; K5-Q8 WeakPolarHBondContact O-CB 3.44Å; K5-Q8 WeakPolarHBondContact O-CG 3.45Å; K5-Q8 PolarHBondContact O-N 3.32Å
6	P	63.5	Low	80.4	Confident	54 Å²	54	69.2 Å²	69.2	35%	0.351	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	148.2	174	-22.4	35.6	0	0	0	110.7	Q8 L79 S110	P6-Q8 PolarHBondContact O-N 3.06Å; P6-L79 WeakPolarHBondContact CA-O 3.34Å; P6-S110 WeakPolarHBondContact CD-O 3.42Å; P6-S110 WeakPolarHBondContact CG-O 3.21Å
7	S	69.7	Low	81.1	Confident	102 Å²	102	72.4 Å²	72.4	71%	0.713	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	6.5	-177.4	-46.6	0	0	0	0	115.6	L79	S7-L79 PolarHBondContact N-O 2.85Å
8	Q	81.5	Confident	81.5	Confident	88 Å²	88	73.1 Å²	73.1	41%	0.411	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-84.3	161	168.6	-68.1	-171.9	-36.1	0	0	111.6	V4 K5 P6 L79	V4-Q8 HydrophobicContact CG1-CB 3.5Å; V4-Q8 HydrophobicContact CG1-CG 4.42Å; K5-Q8 HydrophobicContact CB-CG 4.06Å; K5-Q8 VanDerWaalsContact O-CB 3.29Å; K5-Q8 WeakPolarHBondContact O-CB 3.44Å; K5-Q8 WeakPolarHBondContact O-CG 3.45Å; K5-Q8 PolarHBondContact O-N 3.32Å; P6-Q8 PolarHBondContact O-N 3.06Å; Q8-L79 WeakPolarHBondContact O-CB 3.28Å; Q8-L79 WeakPolarHBondContact O-CG 3.29Å; Q8-L79 PolarHBondContact O-N 3.49Å
9	T	88	Confident	82	Confident	70 Å²	70	72.1 Å²	72.1	43%	0.429	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-92.1	136.3	173.9	-51.9	0	0	0	0	109.6	E75 M76 N77	T9-E75 HydrophobicContact CG2-CG 3.4Å; T9-M76 CarbonylContact C-O 3.54Å; T9-M76 VanDerWaalsContact CA-O 3.29Å; T9-M76 WeakPolarHBondContact CA-O 3.07Å; T9-N77 WeakPolarHBondContact CB-OD1 3.03Å; T9-N77 WeakPolarHBondContact CG2-OD1 3.19Å; T9-N77 PolarHBondContact OG1-OD1 2.83Å
10	V	90.1	Very high	82.5	Confident	12 Å²	12	70.5 Å²	70.5	7%	0.073	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	135.9	164.7	66.3	0	0	0	0	109.4	L12 E75 M76 L79 V107	V10-L12 HydrophobicContact CG2-CD2 3.75Å; V10-L12 HydrophobicContact CG2-CG 4.05Å; V10-E75 CarbonylContact O-C 3.43Å; V10-E75 VanDerWaalsContact O-CA 3.3Å; V10-E75 WeakPolarHBondContact O-CA 3.3Å; V10-M76 HydrophobicContact CG1-CB 3.83Å; V10-M76 PolarHBondContact N-O 3.36Å; V10-M76 PolarHBondContact O-N 3.16Å; V10-L79 HydrophobicContact CB-CD1 3.59Å; V10-L79 HydrophobicContact CG1-CD1 3.6Å; V10-L79 HydrophobicContact CG1-CD2 4.07Å; V10-L79 HydrophobicContact CG1-CG 4.28Å; V10-V107 HydrophobicContact CG2-CG1 4.3Å; V10-V107 HydrophobicContact CG2-CG2 4.03Å
11	F	93.9	Very high	83.1	Confident	111 Å²	111	67.1 Å²	67.1	49%	0.487	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	117.6	173.7	-176.6	-91.5	0	0	0	108.9	F73 L74 E75	F11-F73 HydrophobicContact CE1-CB 4.46Å; F11-F73 AromaticContact CE1-CD1 3.62Å; F11-F73 HydrophobicContact CE1-CD1 3.62Å; F11-F73 HydrophobicContact CE1-CE1 4.24Å; F11-F73 HydrophobicContact CE1-CG 4.3Å; F11-F73 HydrophobicContact CE2-CB 3.82Å; F11-F73 HydrophobicContact CE2-CD1 4.32Å; F11-F73 HydrophobicContact CE2-CG 4.19Å; F11-F73 HydrophobicContact CZ-CB 3.66Å; F11-F73 AromaticContact CZ-CD1 3.31Å; F11-F73 HydrophobicContact CZ-CD1 3.31Å; F11-F73 HydrophobicContact CZ-CD2 4.48Å; F11-F73 HydrophobicContact CZ-CE1 4.05Å; F11-F73 AromaticContact CZ-CG 3.57Å; F11-F73 HydrophobicContact CZ-CG 3.57Å; F11-L74 CarbonylContact C-O 3.56Å; F11-L74 WeakPolarHBondContact CA-O 3.4Å; F11-E75 HydrophobicContact CD2-CB 4.25Å; F11-E75 HydrophobicContact CD2-CG 4.46Å
12	L	95.9	Very high	85.1	Confident	12 Å²	12	62.2 Å²	62.2	6%	0.063	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	142.8	179.2	-56.6	-177	0	0	0	110.4	V10 W30 F73 L74 Y87 T105 V107	V10-L12 HydrophobicContact CG2-CD2 3.75Å; V10-L12 HydrophobicContact CG2-CG 4.05Å; L12-W30 HydrophobicContact CB-CH2 3.68Å; L12-W30 HydrophobicContact CB-CZ2 4.37Å; L12-W30 HydrophobicContact CB-CZ3 3.99Å; L12-W30 HydrophobicContact CD1-CZ3 4.1Å; L12-F73 CarbonylContact O-C 3.58Å; L12-F73 WeakPolarHBondContact O-CA 3.34Å; L12-L74 HydrophobicContact CB-CB 4.33Å; L12-L74 HydrophobicContact CD1-CD2 4.28Å; L12-L74 PolarHBondContact N-O 3.18Å; L12-L74 PolarHBondContact O-N 3.15Å; L12-Y87 HydrophobicContact CD1-CD1 3.86Å; L12-Y87 HydrophobicContact CD1-CD2 4.28Å; L12-Y87 HydrophobicContact CD1-CG 3.55Å; L12-T105 HydrophobicContact CD2-CG2 3.87Å; L12-V107 HydrophobicContact CD2-CG2 4.27Å
13	T	96.8	Very high	86.2	Confident	66 Å²	66	64 Å²	64	41%	0.405	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	132.8	177.1	-59.1	0	0	0	0	109.7	Q71 F73	T13-Q71 HydrophobicContact CG2-CB 4.41Å; T13-Q71 HydrophobicContact CG2-CG 4.1Å; T13-F73 HydrophobicContact CG2-CD1 3.83Å; T13-F73 HydrophobicContact CG2-CE1 3.52Å; T13-F73 WeakPolarHBondContact OG1-CD1 3.36Å
14	C	96.6	Very high	87	Confident	14 Å²	14	59.4 Å²	59.4	10%	0.095	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	120.2	165.9	-172.7	0	0	0	0	109.4	W30 Q71 F72 C89	C14-W30 HydrophobicContact CB-CH2 3.86Å; C14-W30 HydrophobicContact CB-CZ2 3.85Å; C14-Q71 VanDerWaalsContact O-CA 3.3Å; C14-Q71 WeakPolarHBondContact O-CA 3.44Å; C14-F72 HydrophobicContact CB-CD1 3.95Å; C14-F72 HydrophobicContact CB-CD2 4.37Å; C14-F72 HydrophobicContact CB-CE1 3.57Å; C14-F72 HydrophobicContact CB-CE2 4.02Å; C14-F72 HydrophobicContact CB-CG 4.36Å; C14-F72 HydrophobicContact CB-CZ 3.65Å; C14-F72 PolarHBondContact N-O 3.35Å; C14-F72 PolarHBondContact O-N 3.49Å; C14-F72 WeakPolarHBondContact SG-CE1 3.45Å; C14-F72 VanDerWaalsContact SG-CZ 3.57Å; C14-C89 HydrophobicContact CB-CB 3.41Å; C14-C89 VanDerWaalsContact CB-CB 3.41Å; C14-C89 WeakPolarHBondContact CB-SG 3.32Å; C14-C89 WeakPolarHBondContact SG-CB 3.34Å; C14-C89 CovalentContact SG-SG 2.04Å; C14-C89 PolarHBondContact SG-SG 3.21Å
15	T	96.4	Very high	88	Confident	78 Å²	78	61.5 Å²	61.5	48%	0.479	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	125.7	174.8	-55.7	0	0	0	0	108.9	Q71	T15-Q71 HydrophobicContact CG2-CG 4.13Å; T15-Q71 WeakPolarHBondContact OG1-CG 3.47Å; T15-Q71 PolarHBondContact OG1-NE2 3.03Å
16	V	94.1	Very high	89	Confident	17 Å²	17	57.2 Å²	57.2	10%	0.103	36%	0.355	C	S	.	.			trans	-96.2	136.2	178.2	179.4	0	0	0	0	109.2	I19 I21 W28 N70 F72	V16-I19 HydrophobicContact CG1-CG1 3.98Å; V16-I19 WeakPolarHBondContact CG1-O 3.38Å; V16-I21 HydrophobicContact CB-CG2 3.73Å; V16-I21 HydrophobicContact CG1-CG2 4.25Å; V16-I21 HydrophobicContact CG2-CG2 3.49Å; V16-I21 VanDerWaalsContact CG2-CG2 3.49Å; V16-W28 HydrophobicContact CB-CH2 4.44Å; V16-W28 HydrophobicContact CB-CZ3 4.43Å; V16-W28 HydrophobicContact CG1-CH2 3.59Å; V16-W28 HydrophobicContact CG1-CZ2 4.45Å; V16-W28 HydrophobicContact CG1-CZ3 3.87Å; V16-W28 HydrophobicContact CG2-CE3 3.98Å; V16-W28 HydrophobicContact CG2-CH2 4.05Å; V16-W28 HydrophobicContact CG2-CZ3 3.64Å; V16-N70 PolarHBondContact N-O 2.87Å; V16-N70 PolarHBondContact O-ND2 3.05Å; V16-F72 HydrophobicContact CG2-CD1 4.11Å; V16-F72 HydrophobicContact CG2-CE1 3.75Å
17	T	92.1	Very high	90.4	Very high	124 Å²	124	57.3 Å²	57.3	76%	0.761	35%	0.349	S	S	*	.			trans	-121.1	146.3	177.9	55.8	0	0	0	0	110.4	I19	T17-I19 VanDerWaalsContact C-N 3.27Å; T17-I19 PolarHBondContact O-N 2.88Å
18	G	89.8	Confident	91.6	Very high	85 Å²	85	52.9 Å²	52.9	88%	0.876	32%	0.316	S	S	*	.	S	Bend	trans	83.7	-21.3	174.2	0	0	0	0	0	115.8
19	I	89.9	Confident	92.3	Very high	54 Å²	54	48.8 Å²	48.8	28%	0.277	30%	0.297	S	S	.	.	S	Bend	trans	-141.5	156.5	171.7	59.1	162.8	0	0	0	111.3	V16 T17 Y26 W28 N70	V16-I19 HydrophobicContact CG1-CG1 3.98Å; V16-I19 WeakPolarHBondContact CG1-O 3.38Å; T17-I19 VanDerWaalsContact C-N 3.27Å; T17-I19 PolarHBondContact O-N 2.88Å; I19-Y26 HydrophobicContact CD1-CD2 3.95Å; I19-Y26 HydrophobicContact CD1-CE2 3.65Å; I19-W28 HydrophobicContact CD1-CH2 3.61Å; I19-W28 HydrophobicContact CD1-CZ2 4.09Å; I19-W28 HydrophobicContact CG1-CH2 4.08Å; I19-N70 PolarHBondContact O-ND2 2.98Å
20	S	92.7	Very high	92.7	Very high	39 Å²	39	45.7 Å²	45.7	27%	0.273	28%	0.278	S	S	.	.			trans	-83.1	139	175.9	173.5	0	0	0	0	112.1	T22 T23 N70	S20-T22 PolarHBondContact O-N 2.78Å; S20-T22 VanDerWaalsContact O-N 3.17Å; S20-T22 PolarHBondContact OG-N 3.17Å; S20-T22 PolarHBondContact OG-OG1 3.05Å; S20-T22 VanDerWaalsContact OG-OG1 3.05Å; S20-T23 WeakPolarHBondContact CB-OG1 3.47Å; S20-T23 PolarHBondContact O-N 3.03Å; S20-N70 VanDerWaalsContact CA-OD1 3.31Å; S20-N70 WeakPolarHBondContact CA-OD1 3.49Å
21	I	93.8	Very high	93	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-12.5	176.2	62.6	174.1	0	0	0	114.4	V16 W28 R65 N70 Q71 F72	V16-I21 HydrophobicContact CB-CG2 3.73Å; V16-I21 HydrophobicContact CG1-CG2 4.25Å; V16-I21 HydrophobicContact CG2-CG2 3.49Å; V16-I21 VanDerWaalsContact CG2-CG2 3.49Å; I21-W28 HydrophobicContact CB-CZ2 4.21Å; I21-W28 HydrophobicContact CG2-CD2 4.24Å; I21-W28 HydrophobicContact CG2-CH2 4.41Å; I21-W28 HydrophobicContact CG2-CZ2 3.99Å; I21-W28 PolarHBondContact O-NE1 3.41Å; I21-R65 HydrophobicContact CD1-CB 3.93Å; I21-R65 HydrophobicContact CD1-CG 4.46Å; I21-N70 WeakPolarHBondContact CG2-OD1 3.2Å; I21-N70 PolarHBondContact N-OD1 3.48Å; I21-Q71 VanDerWaalsContact CD1-O 3.25Å; I21-Q71 WeakPolarHBondContact CD1-O 3.2Å; I21-F72 HydrophobicContact CG2-CD1 4.47Å
22	T	94	Very high	93.1	Very high	47 Å²	47	40.7 Å²	40.7	29%	0.288	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	2	178.3	50.3	0	0	0	0	113.6	S20 T67	S20-T22 PolarHBondContact O-N 2.78Å; S20-T22 VanDerWaalsContact O-N 3.17Å; S20-T22 PolarHBondContact OG-N 3.17Å; S20-T22 PolarHBondContact OG-OG1 3.05Å; S20-T22 VanDerWaalsContact OG-OG1 3.05Å; T22-T67 HydrophobicContact CG2-CG2 3.61Å
23	T	87.2	Confident	93.1	Very high	84 Å²	84	42.2 Å²	42.2	52%	0.515	26%	0.261	S	S	.	.	S	Bend	trans	-100.9	135.5	-178	-60.9	0	0	0	0	111	S20 Y26	S20-T23 WeakPolarHBondContact CB-OG1 3.47Å; S20-T23 PolarHBondContact O-N 3.03Å; T23-Y26 WeakPolarHBondContact O-CD2 3.49Å; T23-Y26 WeakPolarHBondContact O-CE2 3.35Å
24	G	83.8	Confident	93.1	Very high	33 Å²	33	40.8 Å²	40.8	34%	0.34	25%	0.25	S	C	.	.	S	Bend	trans	73.1	170.1	175.6	0	0	0	0	0	113.4	Y26 Y47	G24-Y26 PolarHBondContact O-N 2.93Å; G24-Y47 WeakPolarHBondContact O-CB 3.43Å; G24-Y47 WeakPolarHBondContact O-CD1 3.5Å
25	N	89.1	Confident	92.8	Very high	59 Å²	59	45.3 Å²	45.3	32%	0.316	28%	0.279	S	S	.	.	S	Bend	trans	-76.7	43.6	-178.3	-67.1	-39.2	0	0	0	113.2	Y46 Y47 Y93 S94	N25-Y46 HydrophobicContact CB-CE2 4.5Å; N25-Y46 VanDerWaalsContact CB-OH 3.31Å; N25-Y46 WeakPolarHBondContact CB-OH 3.23Å; N25-Y46 PolarHBondContact OD1-OH 3.25Å; N25-Y47 WeakPolarHBondContact OD1-CE1 3.29Å; N25-Y93 HydrophobicContact CB-CD2 4.22Å; N25-Y93 HydrophobicContact CB-CE2 3.73Å; N25-S94 PolarHBondContact O-N 3.27Å
26	Y	90.9	Very high	92.6	Very high	51 Å²	51	45.2 Å²	45.2	20%	0.2	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	143.3	178.6	-62.9	-57.9	0	0	0	112.1	I19 T23 G24 W28 Y46 Y47 R91 D92 Y93	I19-Y26 HydrophobicContact CD1-CD2 3.95Å; I19-Y26 HydrophobicContact CD1-CE2 3.65Å; T23-Y26 WeakPolarHBondContact O-CD2 3.49Å; T23-Y26 WeakPolarHBondContact O-CE2 3.35Å; G24-Y26 PolarHBondContact O-N 2.93Å; Y26-W28 HydrophobicContact CD2-CZ2 4.21Å; Y26-W28 HydrophobicContact CG-CZ2 4.32Å; Y26-Y46 WeakPolarHBondContact O-CD2 3.39Å; Y26-Y47 PolarHBondContact O-N 2.87Å; Y26-R91 HydrophobicContact CD1-CG 3.91Å; Y26-R91 HydrophobicContact CG-CG 4.19Å; Y26-D92 CarbonylContact C-O 3.53Å; Y26-D92 VanDerWaalsContact CA-O 3.29Å; Y26-D92 WeakPolarHBondContact CA-O 3Å; Y26-Y93 AromaticContact CD1-CD2 3.56Å; Y26-Y93 HydrophobicContact CD1-CD2 3.56Å; Y26-Y93 HydrophobicContact CD1-CG 4.27Å; Y26-Y93 AromaticContact CE1-CD2 3.42Å; Y26-Y93 HydrophobicContact CE1-CD2 3.42Å; Y26-Y93 VanDerWaalsContact CE1-CD2 3.42Å; Y26-Y93 HydrophobicContact CE1-CE2 4.29Å; Y26-Y93 HydrophobicContact CE1-CG 4.14Å; Y26-Y93 HydrophobicContact CG-CD2 4.31Å
27	R	92.8	Very high	92.4	Very high	56 Å²	56	50.3 Å²	50.3	21%	0.211	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	138.8	163.6	-65.6	176	-162.6	134.7	-6	108.6	Y44 Y46 R91 D92 S94	R27-Y44 HydrophobicContact CB-CD2 4.09Å; R27-Y44 HydrophobicContact CB-CG 4.09Å; R27-Y44 HydrophobicContact CG-CD2 3.9Å; R27-Y44 HydrophobicContact CG-CE2 4.03Å; R27-Y44 HydrophobicContact CG-CG 4.23Å; R27-Y46 HydrophobicContact CB-CD2 4.34Å; R27-Y46 HydrophobicContact CG-CD2 3.33Å; R27-Y46 HydrophobicContact CG-CE2 3.77Å; R27-Y46 HydrophobicContact CG-CG 4.36Å; R27-R91 WeakPolarHBondContact O-CA 3.44Å; R27-D92 VanDerWaalsContact CB-OD1 3.27Å; R27-D92 WeakPolarHBondContact CB-OD1 3Å; R27-D92 WeakPolarHBondContact CB-OD2 3.43Å; R27-D92 VanDerWaalsContact CD-OD2 3.29Å; R27-D92 WeakPolarHBondContact CD-OD2 3.24Å; R27-D92 PolarHBondContact N-O 3.11Å; R27-D92 IonicContact NH1-OD2 2.79Å; R27-D92 PolarHBondContact NH1-OD2 2.85Å; R27-D92 PolarHBondContact O-N 3.19Å; R27-S94 PolarHBondContact NH2-OG 2.96Å
28	W	94.9	Very high	92.5	Very high	10 Å²	10	51 Å²	51	4%	0.038	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	100.1	178.8	-56.6	103.6	0	0	0	108	V16 I19 I21 Y26 Y44 I45 F72 R91	V16-W28 HydrophobicContact CB-CH2 4.44Å; V16-W28 HydrophobicContact CB-CZ3 4.43Å; V16-W28 HydrophobicContact CG1-CH2 3.59Å; V16-W28 HydrophobicContact CG1-CZ2 4.45Å; V16-W28 HydrophobicContact CG1-CZ3 3.87Å; V16-W28 HydrophobicContact CG2-CE3 3.98Å; V16-W28 HydrophobicContact CG2-CH2 4.05Å; V16-W28 HydrophobicContact CG2-CZ3 3.64Å; I19-W28 HydrophobicContact CD1-CH2 3.61Å; I19-W28 HydrophobicContact CD1-CZ2 4.09Å; I19-W28 HydrophobicContact CG1-CH2 4.08Å; I21-W28 HydrophobicContact CB-CZ2 4.21Å; I21-W28 HydrophobicContact CG2-CD2 4.24Å; I21-W28 HydrophobicContact CG2-CH2 4.41Å; I21-W28 HydrophobicContact CG2-CZ2 3.99Å; I21-W28 PolarHBondContact O-NE1 3.41Å; Y26-W28 HydrophobicContact CD2-CZ2 4.21Å; Y26-W28 HydrophobicContact CG-CZ2 4.32Å; W28-Y44 CarbonylContact O-C 3.51Å; W28-Y44 WeakPolarHBondContact O-CA 3.48Å; W28-Y44 WeakPolarHBondContact O-CB 3.48Å; W28-I45 HydrophobicContact CB-CG2 3.9Å; W28-I45 PolarHBondContact N-O 3.13Å; W28-I45 PolarHBondContact O-N 2.71Å; W28-F72 HydrophobicContact CB-CD1 4.12Å; W28-F72 HydrophobicContact CB-CD2 4.08Å; W28-F72 HydrophobicContact CB-CE1 3.87Å; W28-F72 HydrophobicContact CB-CE2 3.85Å; W28-F72 HydrophobicContact CB-CG 4.19Å; W28-F72 HydrophobicContact CB-CZ 3.69Å; W28-F72 HydrophobicContact CD2-CE1 4.23Å; W28-F72 AromaticContact CE3-CE1 3.89Å; W28-F72 HydrophobicContact CE3-CE1 3.89Å; W28-F72 HydrophobicContact CE3-CZ 4.28Å; W28-F72 HydrophobicContact CG-CD1 4.43Å; W28-F72 HydrophobicContact CG-CE1 4.25Å; W28-F72 HydrophobicContact CG-CZ 4.49Å; W28-R91 HydrophobicContact CD2-CG 4.45Å; W28-R91 HydrophobicContact CE3-CB 3.88Å; W28-R91 HydrophobicContact CE3-CG 3.82Å; W28-R91 HydrophobicContact CH2-CB 4.37Å; W28-R91 HydrophobicContact CH2-CG 3.72Å; W28-R91 HydrophobicContact CZ2-CG 4.3Å; W28-R91 HydrophobicContact CZ3-CB 3.61Å; W28-R91 HydrophobicContact CZ3-CG 3.44Å; W28-R91 VanDerWaalsContact CZ3-CG 3.44Å
29	S	95.6	Very high	92.7	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.007	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	145.6	-169.1	-71.1	0	0	0	0	111.6	G43 Y44 C89 A90 D92	S29-G43 CarbonylContact C-O 3.53Å; S29-G43 WeakPolarHBondContact CA-O 3.31Å; S29-Y44 WeakPolarHBondContact OG-CB 3.29Å; S29-C89 CarbonylContact O-C 3.59Å; S29-C89 VanDerWaalsContact O-CA 3.31Å; S29-C89 WeakPolarHBondContact O-CA 3.43Å; S29-A90 PolarHBondContact N-O 2.81Å; S29-A90 PolarHBondContact O-N 2.83Å; S29-D92 PolarHBondContact OG-OD1 2.81Å
30	W	96.8	Very high	93	Very high	5 Å²	5	50.9 Å²	50.9	2%	0.019	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	133.3	165.8	-76	105.5	0	0	0	109.8	L12 C14 I42 G43 F72 F73 L74 Y88 C89	L12-W30 HydrophobicContact CB-CH2 3.68Å; L12-W30 HydrophobicContact CB-CZ2 4.37Å; L12-W30 HydrophobicContact CB-CZ3 3.99Å; L12-W30 HydrophobicContact CD1-CZ3 4.1Å; C14-W30 HydrophobicContact CB-CH2 3.86Å; C14-W30 HydrophobicContact CB-CZ2 3.85Å; W30-I42 HydrophobicContact CB-CB 4.12Å; W30-I42 HydrophobicContact CB-CD1 4.36Å; W30-I42 WeakPolarHBondContact O-CB 3.37Å; W30-I42 PolarHBondContact O-N 2.83Å; W30-G43 PolarHBondContact N-O 3.2Å; W30-F72 AromaticContact CD1-CE2 4Å; W30-F72 HydrophobicContact CD2-CE2 4.34Å; W30-F72 AromaticContact CE2-CD2 3.82Å; W30-F72 AromaticContact CE2-CE2 3.7Å; W30-F72 HydrophobicContact CZ2-CD2 4.13Å; W30-F72 HydrophobicContact CZ2-CE2 4.1Å; W30-F72 AromaticContact NE1-CD2 3.3Å; W30-F72 VanDerWaalsContact NE1-CD2 3.3Å; W30-F72 AromaticContact NE1-CE2 3.48Å; W30-F73 PolarHBondContact NE1-O 2.89Å; W30-L74 HydrophobicContact CB-CD1 4.46Å; W30-L74 HydrophobicContact CB-CD2 4.21Å; W30-L74 HydrophobicContact CD2-CB 3.62Å; W30-L74 HydrophobicContact CD2-CD2 4.04Å; W30-L74 HydrophobicContact CD2-CG 4.36Å; W30-L74 VanDerWaalsContact CE2-CB 3.44Å; W30-L74 HydrophobicContact CE3-CB 4.18Å; W30-L74 HydrophobicContact CE3-CD2 4.09Å; W30-L74 HydrophobicContact CG-CB 3.88Å; W30-L74 HydrophobicContact CG-CD1 4.28Å; W30-L74 HydrophobicContact CG-CD2 4.11Å; W30-L74 HydrophobicContact CG-CG 4.33Å; W30-L74 HydrophobicContact CH2-CB 4.4Å; W30-L74 HydrophobicContact CZ2-CB 3.87Å; W30-Y88 WeakPolarHBondContact CA-O 3.25Å; W30-C89 HydrophobicContact CD2-CB 4.46Å; W30-C89 HydrophobicContact CE3-CB 4.16Å; W30-C89 HydrophobicContact CH2-CB 4.17Å; W30-C89 HydrophobicContact CZ2-CB 4.46Å; W30-C89 HydrophobicContact CZ3-CB 4.01Å
31	I	95.9	Very high	93.1	Very high	7 Å²	7	52.7 Å²	52.7	4%	0.036	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	139.7	-174.9	-56.1	162.1	0	0	0	107.1	L39 E40 Y87 Y88 A90 M98 W101	I31-L39 HydrophobicContact CG2-CB 4.39Å; I31-L39 HydrophobicContact CG2-CD2 3.97Å; I31-E40 WeakPolarHBondContact CA-O 3.47Å; I31-Y87 CarbonylContact O-C 3.57Å; I31-Y87 WeakPolarHBondContact O-CA 3.49Å; I31-Y88 PolarHBondContact N-O 2.83Å; I31-Y88 PolarHBondContact O-N 3Å; I31-A90 HydrophobicContact CD1-CB 3.75Å; I31-M98 HydrophobicContact CD1-CE 3.63Å; I31-M98 HydrophobicContact CD1-SD 3.33Å; I31-M98 WeakPolarHBondContact CD1-SD 3.34Å; I31-M98 HydrophobicContact CG1-CE 4.39Å; I31-W101 HydrophobicContact CB-CH2 4.27Å; I31-W101 HydrophobicContact CB-CZ3 4.06Å; I31-W101 HydrophobicContact CD1-CE3 4.37Å; I31-W101 HydrophobicContact CD1-CH2 3.21Å; I31-W101 HydrophobicContact CD1-CZ2 3.72Å; I31-W101 HydrophobicContact CD1-CZ3 3.57Å; I31-W101 HydrophobicContact CG1-CH2 4.3Å; I31-W101 HydrophobicContact CG1-CZ3 4.43Å; I31-W101 HydrophobicContact CG2-CH2 3.97Å; I31-W101 HydrophobicContact CG2-CZ3 4.01Å
32	R	95.7	Very high	93.2	Very high	11 Å²	11	52.6 Å²	52.6	4%	0.042	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	142.8	171.6	61.2	-176.8	179.8	169.7	7.1	111.1	F34 L39 E40 I42 D83 A85 T86 Y87	R32-F34 HydrophobicContact CG-CE2 4.37Å; R32-F34 HydrophobicContact CG-CZ 4.17Å; R32-L39 CarbonylContact O-C 3.58Å; R32-L39 WeakPolarHBondContact O-CA 3.31Å; R32-E40 HydrophobicContact CG-CB 4.12Å; R32-E40 IonicContact CZ-OE2 3.08Å; R32-E40 PolarHBondContact N-O 3.48Å; R32-E40 IonicContact NE-OE2 2.71Å; R32-E40 PolarHBondContact NE-OE2 2.97Å; R32-E40 IonicContact NH2-OE2 2.66Å; R32-E40 PolarHBondContact NH2-OE2 2.78Å; R32-E40 PolarHBondContact O-N 2.95Å; R32-I42 HydrophobicContact CB-CD1 4.02Å; R32-I42 HydrophobicContact CG-CD1 4.01Å; R32-I42 HydrophobicContact CG-CG1 4.13Å; R32-D83 IonicContact CZ-OD1 3.65Å; R32-D83 IonicContact NH1-OD1 2.68Å; R32-D83 PolarHBondContact NH1-OD1 3.13Å; R32-D83 IonicContact NH2-OD1 3.77Å; R32-A85 HydrophobicContact CB-CB 3.85Å; R32-A85 HydrophobicContact CG-CB 4.45Å; R32-T86 CarbonylContact C-O 3.44Å; R32-T86 WeakPolarHBondContact CA-O 3.42Å; R32-Y87 HydrophobicContact CB-CD1 3.94Å; R32-Y87 HydrophobicContact CB-CE1 3.95Å; R32-Y87 HydrophobicContact CB-CE2 4.5Å; R32-Y87 HydrophobicContact CB-CG 4.25Å; R32-Y87 PolarHBondContact NH1-OH 2.77Å
33	Q	96.7	Very high	93.3	Very high	44 Å²	44	50.4 Å²	50.4	21%	0.206	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	116.5	176.3	-169	-177.9	29.5	0	0	109.1	N37 K38 L39 A85 T86 Y88	Q33-N37 PolarHBondContact NE2-OD1 3.13Å; Q33-K38 WeakPolarHBondContact CA-O 3.33Å; Q33-L39 HydrophobicContact CB-CD2 3.63Å; Q33-L39 HydrophobicContact CG-CD2 3.75Å; Q33-L39 HydrophobicContact CG-CG 4.48Å; Q33-A85 WeakPolarHBondContact O-CA 3.36Å; Q33-A85 WeakPolarHBondContact O-CB 3.49Å; Q33-T86 PolarHBondContact N-O 2.83Å; Q33-T86 PolarHBondContact O-N 2.73Å; Q33-Y88 HydrophobicContact CB-CD2 4.28Å; Q33-Y88 HydrophobicContact CB-CE2 3.61Å; Q33-Y88 PolarHBondContact OE1-OH 3.17Å
34	F	95.5	Very high	93.7	Very high	36 Å²	36	48.7 Å²	48.7	16%	0.158	26%	0.262	C	S	.	.			trans	-76.2	159.9	175.9	-61.7	-73.7	0	0	0	111.3	R32 G36 N37 K38 E40 E82 A85	R32-F34 HydrophobicContact CG-CE2 4.37Å; R32-F34 HydrophobicContact CG-CZ 4.17Å; F34-G36 PolarHBondContact O-N 3.22Å; F34-N37 PolarHBondContact O-N 2.96Å; F34-K38 HydrophobicContact CB-CB 4.45Å; F34-K38 HydrophobicContact CD2-CB 4.27Å; F34-K38 HydrophobicContact CD2-CD 4.28Å; F34-K38 HydrophobicContact CD2-CG 4.28Å; F34-K38 WeakPolarHBondContact CD2-O 3.43Å; F34-K38 PolarHBondContact N-O 2.85Å; F34-E40 HydrophobicContact CE2-CB 3.77Å; F34-E40 HydrophobicContact CZ-CB 4.49Å; F34-E40 WeakPolarHBondContact CZ-OE2 3.4Å; F34-E82 WeakPolarHBondContact CE1-O 3.3Å; F34-A85 HydrophobicContact CD1-CB 4.03Å; F34-A85 HydrophobicContact CE1-CB 4.27Å
35	P	91.3	Very high	94.3	Very high	110 Å²	110	47.4 Å²	47.4	71%	0.714	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.4	132.1	161.5	-24.7	34.6	0	0	0	110.3
36	G	92.1	Very high	94.6	Very high	75 Å²	75	46.5 Å²	46.5	77%	0.773	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.3	14.2	-172.2	0	0	0	0	0	115	F34 K38	F34-G36 PolarHBondContact O-N 3.22Å; G36-K38 PolarHBondContact O-N 3.49Å
37	N	89.3	Confident	94.7	Very high	124 Å²	124	48 Å²	48	66%	0.663	25%	0.245	S	C	*	.	S	Bend	trans	66	12.7	170.6	-59.4	-46.3	0	0	0	116.2	Q33 F34 L39	Q33-N37 PolarHBondContact NE2-OD1 3.13Å; F34-N37 PolarHBondContact O-N 2.96Å; N37-L39 PolarHBondContact O-N 2.73Å
38	K	94.4	Very high	94.7	Very high	139 Å²	139	48.2 Å²	48.2	60%	0.604	26%	0.255	S	S	*	.			trans	-69.8	123.6	171.4	-177.4	-175.7	177	-170.7	0	109.6	Q33 F34 G36	Q33-K38 WeakPolarHBondContact CA-O 3.33Å; F34-K38 HydrophobicContact CB-CB 4.45Å; F34-K38 HydrophobicContact CD2-CB 4.27Å; F34-K38 HydrophobicContact CD2-CD 4.28Å; F34-K38 HydrophobicContact CD2-CG 4.28Å; F34-K38 WeakPolarHBondContact CD2-O 3.43Å; F34-K38 PolarHBondContact N-O 2.85Å; G36-K38 PolarHBondContact O-N 3.49Å
39	L	94.4	Very high	94.7	Very high	93 Å²	93	49 Å²	49	49%	0.487	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	141.1	174.3	-67.9	168.9	0	0	0	110.8	I31 R32 Q33 N37 W101	I31-L39 HydrophobicContact CG2-CB 4.39Å; I31-L39 HydrophobicContact CG2-CD2 3.97Å; R32-L39 CarbonylContact O-C 3.58Å; R32-L39 WeakPolarHBondContact O-CA 3.31Å; Q33-L39 HydrophobicContact CB-CD2 3.63Å; Q33-L39 HydrophobicContact CG-CD2 3.75Å; Q33-L39 HydrophobicContact CG-CG 4.48Å; N37-L39 PolarHBondContact O-N 2.73Å; L39-W101 HydrophobicContact CD1-CH2 4.4Å
40	E	95.7	Very high	94.7	Very high	43 Å²	43	52.8 Å²	52.8	20%	0.201	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	123.2	170.9	-177.9	175.6	-118.2	0	0	109.8	I31 R32 F34	I31-E40 WeakPolarHBondContact CA-O 3.47Å; R32-E40 HydrophobicContact CG-CB 4.12Å; R32-E40 IonicContact CZ-OE2 3.08Å; R32-E40 PolarHBondContact N-O 3.48Å; R32-E40 IonicContact NE-OE2 2.71Å; R32-E40 PolarHBondContact NE-OE2 2.97Å; R32-E40 IonicContact NH2-OE2 2.66Å; R32-E40 PolarHBondContact NH2-OE2 2.78Å; R32-E40 PolarHBondContact O-N 2.95Å; F34-E40 HydrophobicContact CE2-CB 3.77Å; F34-E40 HydrophobicContact CZ-CB 4.49Å; F34-E40 WeakPolarHBondContact CZ-OE2 3.4Å
41	W	95.4	Very high	94.6	Very high	77 Å²	77	55.5 Å²	55.5	29%	0.292	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	133	173.2	175.9	79.6	0	0	0	109.9	G43 Y44 T52 N54	W41-G43 VanDerWaalsContact CE2-CA 3.48Å; W41-G43 PolarHBondContact NE1-O 2.87Å; W41-Y44 HydrophobicContact CH2-CD1 4.33Å; W41-Y44 AromaticContact CZ2-CD1 3.4Å; W41-Y44 HydrophobicContact CZ2-CD1 3.4Å; W41-Y44 VanDerWaalsContact CZ2-CD1 3.4Å; W41-Y44 HydrophobicContact CZ2-CE1 4.01Å; W41-Y44 HydrophobicContact CZ2-CG 4.18Å; W41-T52 HydrophobicContact CH2-CG2 4.06Å; W41-N54 HydrophobicContact CE3-CB 3.89Å; W41-N54 HydrophobicContact CZ3-CB 3.96Å; W41-N54 VanDerWaalsContact CZ3-N 3.33Å; W41-N54 VanDerWaalsContact O-CB 3.31Å; W41-N54 WeakPolarHBondContact O-CB 3.19Å; W41-N54 PolarHBondContact O-ND2 3.22Å
42	I	96.1	Very high	94.6	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-44.2	-176.3	-62.5	170.9	0	0	0	111	W30 R32 N54 L57 T61 L74 M76 Y87	W30-I42 HydrophobicContact CB-CB 4.12Å; W30-I42 HydrophobicContact CB-CD1 4.36Å; W30-I42 WeakPolarHBondContact O-CB 3.37Å; W30-I42 PolarHBondContact O-N 2.83Å; R32-I42 HydrophobicContact CB-CD1 4.02Å; R32-I42 HydrophobicContact CG-CD1 4.01Å; R32-I42 HydrophobicContact CG-CG1 4.13Å; I42-N54 WeakPolarHBondContact O-CB 3.27Å; I42-N54 PolarHBondContact O-N 2.89Å; I42-L57 HydrophobicContact CB-CD1 4.29Å; I42-L57 HydrophobicContact CG1-CD1 4.01Å; I42-L57 HydrophobicContact CG2-CD1 4.25Å; I42-T61 HydrophobicContact CG2-CG2 3.67Å; I42-L74 HydrophobicContact CD1-CD2 3.84Å; I42-L74 HydrophobicContact CG2-CD1 3.93Å; I42-M76 HydrophobicContact CD1-SD 4.2Å; I42-Y87 HydrophobicContact CD1-CD1 3.65Å; I42-Y87 HydrophobicContact CD1-CE1 3.57Å
43	G	95.8	Very high	94.7	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169	170	-172.6	0	0	0	0	0	111.3	S29 W30 W41 T52	S29-G43 CarbonylContact C-O 3.53Å; S29-G43 WeakPolarHBondContact CA-O 3.31Å; W30-G43 PolarHBondContact N-O 3.2Å; W41-G43 VanDerWaalsContact CE2-CA 3.48Å; W41-G43 PolarHBondContact NE1-O 2.87Å; G43-T52 CarbonylContact C-O 3.57Å; G43-T52 WeakPolarHBondContact CA-O 2.96Å
44	Y	95.6	Very high	94.6	Very high	48 Å²	48	59 Å²	59	19%	0.188	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	157.6	169.3	70.4	-111.9	0	0	0	111.6	R27 W28 S29 W41 I51 T52	R27-Y44 HydrophobicContact CB-CD2 4.09Å; R27-Y44 HydrophobicContact CB-CG 4.09Å; R27-Y44 HydrophobicContact CG-CD2 3.9Å; R27-Y44 HydrophobicContact CG-CE2 4.03Å; R27-Y44 HydrophobicContact CG-CG 4.23Å; W28-Y44 CarbonylContact O-C 3.51Å; W28-Y44 WeakPolarHBondContact O-CA 3.48Å; W28-Y44 WeakPolarHBondContact O-CB 3.48Å; S29-Y44 WeakPolarHBondContact OG-CB 3.29Å; W41-Y44 HydrophobicContact CH2-CD1 4.33Å; W41-Y44 AromaticContact CZ2-CD1 3.4Å; W41-Y44 HydrophobicContact CZ2-CD1 3.4Å; W41-Y44 VanDerWaalsContact CZ2-CD1 3.4Å; W41-Y44 HydrophobicContact CZ2-CE1 4.01Å; W41-Y44 HydrophobicContact CZ2-CG 4.18Å; Y44-I51 WeakPolarHBondContact O-CA 3.48Å; Y44-I51 WeakPolarHBondContact O-CG2 3.34Å; Y44-T52 HydrophobicContact CE1-CG2 4.36Å; Y44-T52 PolarHBondContact N-O 2.66Å; Y44-T52 PolarHBondContact O-N 2.68Å; Y44-T52 PolarHBondContact OH-OG1 2.04Å; Y44-T52 VanDerWaalsContact OH-OG1 3.11Å
45	I	96.1	Very high	94.5	Very high	7 Å²	7	62.7 Å²	62.7	4%	0.036	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.2	161.7	-173.5	164.4	0	0	0	109.7	W28 I51 I63 R65 F72	W28-I45 HydrophobicContact CB-CG2 3.9Å; W28-I45 PolarHBondContact N-O 3.13Å; W28-I45 PolarHBondContact O-N 2.71Å; I45-I51 HydrophobicContact CB-CG1 4.19Å; I45-I51 HydrophobicContact CD1-CD1 4.31Å; I45-I51 HydrophobicContact CD1-CG1 3.99Å; I45-I51 HydrophobicContact CG1-CG1 3.9Å; I45-I63 HydrophobicContact CB-CG2 3.89Å; I45-I63 HydrophobicContact CG2-CG2 3.98Å; I45-R65 HydrophobicContact CD1-CB 4.07Å; I45-R65 HydrophobicContact CD1-CG 3.82Å; I45-F72 HydrophobicContact CG2-CB 4.25Å; I45-F72 HydrophobicContact CG2-CD2 4.47Å
46	Y	94.9	Very high	94.6	Very high	40 Å²	40	61.9 Å²	61.9	16%	0.157	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	159.1	178.5	-161.9	-140.5	0	0	0	110.6	N25 Y26 R27 S48 G49 T50 R65	N25-Y46 HydrophobicContact CB-CE2 4.5Å; N25-Y46 VanDerWaalsContact CB-OH 3.31Å; N25-Y46 WeakPolarHBondContact CB-OH 3.23Å; N25-Y46 PolarHBondContact OD1-OH 3.25Å; Y26-Y46 WeakPolarHBondContact O-CD2 3.39Å; R27-Y46 HydrophobicContact CB-CD2 4.34Å; R27-Y46 HydrophobicContact CG-CD2 3.33Å; R27-Y46 HydrophobicContact CG-CE2 3.77Å; R27-Y46 HydrophobicContact CG-CG 4.36Å; Y46-S48 WeakPolarHBondContact CD1-OG 3.44Å; Y46-S48 PolarHBondContact O-N 2.71Å; Y46-S48 VanDerWaalsContact O-N 3.11Å; Y46-G49 WeakPolarHBondContact O-CA 3.38Å; Y46-G49 PolarHBondContact O-N 2.68Å; Y46-T50 WeakPolarHBondContact CB-O 3.46Å; Y46-T50 PolarHBondContact N-O 2.79Å; Y46-R65 PolarHBondContact O-NH1 2.96Å
47	Y	93.4	Very high	94.6	Very high	81 Å²	81	58.6 Å²	58.6	32%	0.318	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-34.9	177.7	84.4	-85.4	0	0	0	112.7	G24 N25 Y26 G49 R65	G24-Y47 WeakPolarHBondContact O-CB 3.43Å; G24-Y47 WeakPolarHBondContact O-CD1 3.5Å; N25-Y47 WeakPolarHBondContact OD1-CE1 3.29Å; Y26-Y47 PolarHBondContact O-N 2.87Å; Y47-G49 PolarHBondContact O-N 2.92Å; Y47-R65 PolarHBondContact O-NH1 3.11Å
48	S	93.9	Very high	94.7	Very high	61 Å²	61	55.8 Å²	55.8	43%	0.427	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-16.8	176	64.4	0	0	0	0	113.6	Y46 T50	Y46-S48 WeakPolarHBondContact CD1-OG 3.44Å; Y46-S48 PolarHBondContact O-N 2.71Å; Y46-S48 VanDerWaalsContact O-N 3.11Å; S48-T50 PolarHBondContact OG-N 3.17Å; S48-T50 PolarHBondContact OG-OG1 2.88Å
49	G	94.1	Very high	94.6	Very high	27 Å²	27	55 Å²	55	28%	0.278	31%	0.312	S	S	.	.	S	Bend	trans	96.2	-1.7	-171.9	0	0	0	0	0	113.7	Y46 Y47 I51	Y46-G49 WeakPolarHBondContact O-CA 3.38Å; Y46-G49 PolarHBondContact O-N 2.68Å; Y47-G49 PolarHBondContact O-N 2.92Å; G49-I51 PolarHBondContact O-N 2.84Å
50	T	94.9	Very high	94.6	Very high	81 Å²	81	52.9 Å²	52.9	50%	0.497	30%	0.297	S	S	.	.			trans	-65.3	129.6	173.6	-54.7	0	0	0	0	110.2	Y46 S48	Y46-T50 WeakPolarHBondContact CB-O 3.46Å; Y46-T50 PolarHBondContact N-O 2.79Å; S48-T50 PolarHBondContact OG-N 3.17Å; S48-T50 PolarHBondContact OG-OG1 2.88Å
51	I	96.2	Very high	94.6	Very high	61 Å²	61	51.1 Å²	51.1	31%	0.313	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	142.2	179.6	-56.7	166.1	0	0	0	109.3	Y44 I45 G49 Y53 I63	Y44-I51 WeakPolarHBondContact O-CA 3.48Å; Y44-I51 WeakPolarHBondContact O-CG2 3.34Å; I45-I51 HydrophobicContact CB-CG1 4.19Å; I45-I51 HydrophobicContact CD1-CD1 4.31Å; I45-I51 HydrophobicContact CD1-CG1 3.99Å; I45-I51 HydrophobicContact CG1-CG1 3.9Å; G49-I51 PolarHBondContact O-N 2.84Å; I51-Y53 HydrophobicContact CB-CE2 4.33Å; I51-Y53 HydrophobicContact CG2-CD1 4.38Å; I51-Y53 HydrophobicContact CG2-CD2 4.1Å; I51-Y53 HydrophobicContact CG2-CE1 3.83Å; I51-Y53 HydrophobicContact CG2-CE2 3.51Å; I51-I63 VanDerWaalsContact CD1-O 3.24Å; I51-I63 WeakPolarHBondContact CD1-O 3.47Å; I51-I63 HydrophobicContact CG2-CB 4.18Å; I51-I63 HydrophobicContact CG2-CD1 4.5Å
52	T	95.7	Very high	94.7	Very high	51 Å²	51	50 Å²	50	31%	0.313	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	134.9	171.8	-53.4	0	0	0	0	108.8	W41 G43 Y44	W41-T52 HydrophobicContact CH2-CG2 4.06Å; G43-T52 CarbonylContact C-O 3.57Å; G43-T52 WeakPolarHBondContact CA-O 2.96Å; Y44-T52 HydrophobicContact CE1-CG2 4.36Å; Y44-T52 PolarHBondContact N-O 2.66Å; Y44-T52 PolarHBondContact O-N 2.68Å; Y44-T52 PolarHBondContact OH-OG1 2.04Å; Y44-T52 VanDerWaalsContact OH-OG1 3.11Å
53	Y	96.2	Very high	94.7	Very high	59 Å²	59	50.1 Å²	50.1	23%	0.231	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	155.9	-176.5	-62	-79.9	0	0	0	110.9	I51 P55 T58 T61 I63	I51-Y53 HydrophobicContact CB-CE2 4.33Å; I51-Y53 HydrophobicContact CG2-CD1 4.38Å; I51-Y53 HydrophobicContact CG2-CD2 4.1Å; I51-Y53 HydrophobicContact CG2-CE1 3.83Å; I51-Y53 HydrophobicContact CG2-CE2 3.51Å; Y53-P55 WeakPolarHBondContact O-CD 3.39Å; Y53-T58 WeakPolarHBondContact CB-OG1 3.48Å; Y53-T58 HydrophobicContact CD2-CG2 4.21Å; Y53-T58 HydrophobicContact CG-CG2 4.37Å; Y53-T61 HydrophobicContact CD1-CG2 4.12Å; Y53-T61 HydrophobicContact CE1-CG2 4.11Å; Y53-T61 WeakPolarHBondContact CE1-O 3.07Å; Y53-I63 HydrophobicContact CD1-CD1 4.23Å; Y53-I63 HydrophobicContact CE1-CB 4.25Å; Y53-I63 HydrophobicContact CE1-CD1 4.02Å; Y53-I63 HydrophobicContact CE1-CG1 3.98Å; Y53-I63 PolarHBondContact OH-N 2.85Å
54	N	95.3	Very high	94.8	Very high	27 Å²	27	53 Å²	53	14%	0.144	31%	0.31	C	S	.	.			trans	-67.6	122.5	160.9	-177.9	-27.8	0	0	0	108.7	W41 I42 S56 L57 T58	W41-N54 HydrophobicContact CE3-CB 3.89Å; W41-N54 HydrophobicContact CZ3-CB 3.96Å; W41-N54 VanDerWaalsContact CZ3-N 3.33Å; W41-N54 VanDerWaalsContact O-CB 3.31Å; W41-N54 WeakPolarHBondContact O-CB 3.19Å; W41-N54 PolarHBondContact O-ND2 3.22Å; I42-N54 WeakPolarHBondContact O-CB 3.27Å; I42-N54 PolarHBondContact O-N 2.89Å; N54-S56 PolarHBondContact O-N 3.3Å; N54-S56 PolarHBondContact OD1-N 3.03Å; N54-L57 HydrophobicContact CB-CB 4.4Å; N54-L57 HydrophobicContact CB-CD1 4.29Å; N54-L57 HydrophobicContact CB-CG 4.44Å; N54-L57 PolarHBondContact O-N 3.07Å; N54-T58 PolarHBondContact O-N 2.88Å; N54-T58 VanDerWaalsContact O-N 3.11Å; N54-T58 PolarHBondContact O-OG1 3.36Å; N54-T58 VanDerWaalsContact O-OG1 3.06Å
55	P	94.3	Very high	94.8	Very high	113 Å²	113	54.3 Å²	54.3	73%	0.734	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-33.3	-177.9	-28.5	35.6	0	0	0	114.3	Y53 L57	Y53-P55 WeakPolarHBondContact O-CD 3.39Å; P55-L57 PolarHBondContact O-N 2.8Å
56	S	91.9	Very high	94.8	Very high	93 Å²	93	55.7 Å²	55.7	65%	0.65	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-15.2	178.9	-59.4	0	0	0	0	113.9	N54	N54-S56 PolarHBondContact O-N 3.3Å; N54-S56 PolarHBondContact OD1-N 3.03Å
57	L	92.5	Very high	94.8	Very high	5 Å²	5	56.4 Å²	56.4	3%	0.026	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	-8.8	-173.6	-60.1	176.4	0	0	0	113.4	I42 N54 P55 S59 R60 T61 M76	I42-L57 HydrophobicContact CB-CD1 4.29Å; I42-L57 HydrophobicContact CG1-CD1 4.01Å; I42-L57 HydrophobicContact CG2-CD1 4.25Å; N54-L57 HydrophobicContact CB-CB 4.4Å; N54-L57 HydrophobicContact CB-CD1 4.29Å; N54-L57 HydrophobicContact CB-CG 4.44Å; N54-L57 PolarHBondContact O-N 3.07Å; P55-L57 PolarHBondContact O-N 2.8Å; L57-S59 VanDerWaalsContact C-N 3.27Å; L57-S59 PolarHBondContact O-N 2.83Å; L57-R60 PolarHBondContact O-N 3.32Å; L57-T61 VanDerWaalsContact O-CB 3.28Å; L57-T61 WeakPolarHBondContact O-CB 3.39Å; L57-T61 PolarHBondContact O-N 3.25Å; L57-T61 PolarHBondContact O-OG1 3.23Å; L57-M76 HydrophobicContact CD2-CE 4.46Å
58	T	92.2	Very high	94.9	Very high	66 Å²	66	58.4 Å²	58.4	41%	0.405	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-54.7	-36.6	-174.7	-55.6	0	0	0	0	113.9	Y53 N54 R60	Y53-T58 WeakPolarHBondContact CB-OG1 3.48Å; Y53-T58 HydrophobicContact CD2-CG2 4.21Å; Y53-T58 HydrophobicContact CG-CG2 4.37Å; N54-T58 PolarHBondContact O-N 2.88Å; N54-T58 VanDerWaalsContact O-N 3.11Å; N54-T58 PolarHBondContact O-OG1 3.36Å; N54-T58 VanDerWaalsContact O-OG1 3.06Å; T58-R60 PolarHBondContact O-N 2.72Å
59	S	92.9	Very high	95	Very high	122 Å²	122	61.6 Å²	61.6	85%	0.853	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-68	-18.4	-174.4	57.9	0	0	0	0	114.5	L57	L57-S59 VanDerWaalsContact C-N 3.27Å; L57-S59 PolarHBondContact O-N 2.83Å
60	R	93.8	Very high	95.1	Very high	48 Å²	48	61.7 Å²	61.7	18%	0.181	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-128.8	3.9	-171.9	66.5	-170.6	-175.3	118	-7.8	113.7	L57 T58 M76 N77 D83	L57-R60 PolarHBondContact O-N 3.32Å; T58-R60 PolarHBondContact O-N 2.72Å; R60-M76 CarbonylContact O-C 3.59Å; R60-M76 WeakPolarHBondContact O-CA 3.42Å; R60-N77 PolarHBondContact O-N 2.93Å; R60-D83 IonicContact CZ-OD1 2.96Å; R60-D83 VanDerWaalsContact CZ-OD1 3.26Å; R60-D83 IonicContact CZ-OD2 2.71Å; R60-D83 IonicContact NH1-OD1 3.25Å; R60-D83 PolarHBondContact NH1-OD1 2.81Å; R60-D83 IonicContact NH1-OD2 2.68Å; R60-D83 PolarHBondContact NH1-OD2 2.99Å; R60-D83 IonicContact NH2-OD1 3.26Å; R60-D83 PolarHBondContact NH2-OD1 2.83Å; R60-D83 IonicContact NH2-OD2 3.69Å
61	T	95.4	Very high	95.2	Very high	6 Å²	6	59.7 Å²	59.7	4%	0.037	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	131.8	-173.3	-55.2	0	0	0	0	110.6	I42 Y53 L57 I63 L74 E75 M76	I42-T61 HydrophobicContact CG2-CG2 3.67Å; Y53-T61 HydrophobicContact CD1-CG2 4.12Å; Y53-T61 HydrophobicContact CE1-CG2 4.11Å; Y53-T61 WeakPolarHBondContact CE1-O 3.07Å; L57-T61 VanDerWaalsContact O-CB 3.28Å; L57-T61 WeakPolarHBondContact O-CB 3.39Å; L57-T61 PolarHBondContact O-N 3.25Å; L57-T61 PolarHBondContact O-OG1 3.23Å; T61-I63 HydrophobicContact CG2-CG1 4.4Å; T61-L74 HydrophobicContact CG2-CD1 3.46Å; T61-L74 VanDerWaalsContact CG2-CD1 3.46Å; T61-E75 CarbonylContact C-O 3.58Å; T61-E75 WeakPolarHBondContact CA-O 3.09Å; T61-M76 HydrophobicContact CG2-CG 4.25Å
62	T	96.8	Very high	95.2	Very high	55 Å²	55	56.9 Å²	56.9	34%	0.337	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	127.9	171.5	-50.4	0	0	0	0	108.8	T64 E75	T62-T64 HydrophobicContact CG2-CG2 3.95Å; T62-E75 PolarHBondContact N-O 3.41Å; T62-E75 PolarHBondContact O-N 2.8Å
63	I	97.3	Very high	95.3	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.01	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	131.4	172.4	-65.3	169.6	0	0	0	108.2	I45 I51 Y53 T61 F73 L74	I45-I63 HydrophobicContact CB-CG2 3.89Å; I45-I63 HydrophobicContact CG2-CG2 3.98Å; I51-I63 VanDerWaalsContact CD1-O 3.24Å; I51-I63 WeakPolarHBondContact CD1-O 3.47Å; I51-I63 HydrophobicContact CG2-CB 4.18Å; I51-I63 HydrophobicContact CG2-CD1 4.5Å; Y53-I63 HydrophobicContact CD1-CD1 4.23Å; Y53-I63 HydrophobicContact CE1-CB 4.25Å; Y53-I63 HydrophobicContact CE1-CD1 4.02Å; Y53-I63 HydrophobicContact CE1-CG1 3.98Å; Y53-I63 PolarHBondContact OH-N 2.85Å; T61-I63 HydrophobicContact CG2-CG1 4.4Å; I63-F73 WeakPolarHBondContact CA-O 3.38Å; I63-L74 HydrophobicContact CG1-CD1 3.98Å
64	T	96.7	Very high	95.4	Very high	60 Å²	60	52.7 Å²	52.7	37%	0.368	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	170.9	178.6	62.7	0	0	0	0	111.2	T62 F72 F73	T62-T64 HydrophobicContact CG2-CG2 3.95Å; T64-F72 CarbonylContact O-C 3.55Å; T64-F72 VanDerWaalsContact O-CA 3.31Å; T64-F72 WeakPolarHBondContact O-CA 3.29Å; T64-F72 WeakPolarHBondContact O-CB 3.39Å; T64-F73 PolarHBondContact N-O 2.94Å; T64-F73 VanDerWaalsContact N-O 3.16Å; T64-F73 PolarHBondContact O-N 2.84Å; T64-F73 WeakPolarHBondContact OG1-CD2 3.41Å
65	R	96.1	Very high	95.4	Very high	75 Å²	75	54.4 Å²	54.4	28%	0.283	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	152.4	174.4	71.9	175.3	-178.9	-157.7	1.9	113.2	I21 I45 Y46 Y47 Q71 F72	I21-R65 HydrophobicContact CD1-CB 3.93Å; I21-R65 HydrophobicContact CD1-CG 4.46Å; I45-R65 HydrophobicContact CD1-CB 4.07Å; I45-R65 HydrophobicContact CD1-CG 3.82Å; Y46-R65 PolarHBondContact O-NH1 2.96Å; Y47-R65 PolarHBondContact O-NH1 3.11Å; R65-Q71 CarbonylContact C-O 3.58Å; R65-Q71 WeakPolarHBondContact CA-O 3.37Å; R65-Q71 WeakPolarHBondContact CB-O 3.38Å; R65-F72 HydrophobicContact CB-CB 4.07Å
66	D	96.6	Very high	95.4	Very high	36 Å²	36	49 Å²	49	19%	0.193	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	96.6	170	-177.6	-25.1	0	0	0	107.2	P68 K69 N70 Q71 F73	D66-P68 WeakPolarHBondContact OD1-CD 3.49Å; D66-K69 HydrophobicContact CB-CB 4.29Å; D66-K69 PolarHBondContact O-N 3.23Å; D66-K69 PolarHBondContact OD1-N 3.18Å; D66-K69 VanDerWaalsContact OD1-N 3.11Å; D66-K69 WeakPolarHBondContact OD2-CD 3.06Å; D66-K69 VanDerWaalsContact OD2-CE 3.24Å; D66-K69 WeakPolarHBondContact OD2-CE 3.33Å; D66-K69 WeakPolarHBondContact OD2-CG 3.3Å; D66-K69 IonicContact OD2-NZ 3.83Å; D66-K69 PolarHBondContact OD2-NZ 3.34Å; D66-N70 PolarHBondContact O-N 3.06Å; D66-Q71 PolarHBondContact N-O 3.02Å; D66-Q71 PolarHBondContact O-N 3.24Å; D66-F73 HydrophobicContact CB-CE2 3.61Å; D66-F73 HydrophobicContact CB-CZ 3.87Å
67	T	94.8	Very high	95.4	Very high	55 Å²	55	46.8 Å²	46.8	34%	0.337	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-46	-177.1	-56.6	0	0	0	0	112.6	T22 K69 N70	T22-T67 HydrophobicContact CG2-CG2 3.61Å; T67-K69 PolarHBondContact O-N 2.85Å; T67-N70 PolarHBondContact O-N 3.05Å
68	P	94.8	Very high	95.3	Very high	124 Å²	124	50.3 Å²	50.3	81%	0.805	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-36.4	175.2	-28.3	34.8	0	0	0	114.1	D66	D66-P68 WeakPolarHBondContact OD1-CD 3.49Å
69	K	96.8	Very high	95.2	Very high	127 Å²	127	47.2 Å²	47.2	55%	0.552	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-2.6	177.3	-63.5	-173.3	-164.3	131.5	0	114.3	D66 T67 Q71	D66-K69 HydrophobicContact CB-CB 4.29Å; D66-K69 PolarHBondContact O-N 3.23Å; D66-K69 PolarHBondContact OD1-N 3.18Å; D66-K69 VanDerWaalsContact OD1-N 3.11Å; D66-K69 WeakPolarHBondContact OD2-CD 3.06Å; D66-K69 VanDerWaalsContact OD2-CE 3.24Å; D66-K69 WeakPolarHBondContact OD2-CE 3.33Å; D66-K69 WeakPolarHBondContact OD2-CG 3.3Å; D66-K69 IonicContact OD2-NZ 3.83Å; D66-K69 PolarHBondContact OD2-NZ 3.34Å; T67-K69 PolarHBondContact O-N 2.85Å; K69-Q71 HydrophobicContact CB-CB 4.32Å; K69-Q71 HydrophobicContact CB-CG 4.17Å; K69-Q71 PolarHBondContact O-N 3Å
70	N	96.4	Very high	95.1	Very high	29 Å²	29	44.4 Å²	44.4	16%	0.155	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	42	-175.4	-153.7	40.4	0	0	0	112.9	V16 I19 S20 I21 D66 T67	V16-N70 PolarHBondContact N-O 2.87Å; V16-N70 PolarHBondContact O-ND2 3.05Å; I19-N70 PolarHBondContact O-ND2 2.98Å; S20-N70 VanDerWaalsContact CA-OD1 3.31Å; S20-N70 WeakPolarHBondContact CA-OD1 3.49Å; I21-N70 WeakPolarHBondContact CG2-OD1 3.2Å; I21-N70 PolarHBondContact N-OD1 3.48Å; D66-N70 PolarHBondContact O-N 3.06Å; T67-N70 PolarHBondContact O-N 3.05Å
71	Q	97.3	Very high	94.9	Very high	40 Å²	40	44.7 Å²	44.7	19%	0.187	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	149.1	-174.8	-78.5	171.7	-10.8	0	0	111.7	T13 C14 T15 I21 R65 D66 K69 F73	T13-Q71 HydrophobicContact CG2-CB 4.41Å; T13-Q71 HydrophobicContact CG2-CG 4.1Å; C14-Q71 VanDerWaalsContact O-CA 3.3Å; C14-Q71 WeakPolarHBondContact O-CA 3.44Å; T15-Q71 HydrophobicContact CG2-CG 4.13Å; T15-Q71 WeakPolarHBondContact OG1-CG 3.47Å; T15-Q71 PolarHBondContact OG1-NE2 3.03Å; I21-Q71 VanDerWaalsContact CD1-O 3.25Å; I21-Q71 WeakPolarHBondContact CD1-O 3.2Å; R65-Q71 CarbonylContact C-O 3.58Å; R65-Q71 WeakPolarHBondContact CA-O 3.37Å; R65-Q71 WeakPolarHBondContact CB-O 3.38Å; D66-Q71 PolarHBondContact N-O 3.02Å; D66-Q71 PolarHBondContact O-N 3.24Å; K69-Q71 HydrophobicContact CB-CB 4.32Å; K69-Q71 HydrophobicContact CB-CG 4.17Å; K69-Q71 PolarHBondContact O-N 3Å; Q71-F73 HydrophobicContact CB-CE1 4.08Å; Q71-F73 HydrophobicContact CB-CE2 4.21Å; Q71-F73 HydrophobicContact CB-CZ 3.63Å
72	F	96.6	Very high	94.6	Very high	1 Å²	1	51.9 Å²	51.9	0%	0.004	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	152.5	166.2	67.6	-79.4	0	0	0	110.6	C14 V16 I21 W28 W30 I45 T64 R65 C89	C14-F72 HydrophobicContact CB-CD1 3.95Å; C14-F72 HydrophobicContact CB-CD2 4.37Å; C14-F72 HydrophobicContact CB-CE1 3.57Å; C14-F72 HydrophobicContact CB-CE2 4.02Å; C14-F72 HydrophobicContact CB-CG 4.36Å; C14-F72 HydrophobicContact CB-CZ 3.65Å; C14-F72 PolarHBondContact N-O 3.35Å; C14-F72 PolarHBondContact O-N 3.49Å; C14-F72 WeakPolarHBondContact SG-CE1 3.45Å; C14-F72 VanDerWaalsContact SG-CZ 3.57Å; V16-F72 HydrophobicContact CG2-CD1 4.11Å; V16-F72 HydrophobicContact CG2-CE1 3.75Å; I21-F72 HydrophobicContact CG2-CD1 4.47Å; W28-F72 HydrophobicContact CB-CD1 4.12Å; W28-F72 HydrophobicContact CB-CD2 4.08Å; W28-F72 HydrophobicContact CB-CE1 3.87Å; W28-F72 HydrophobicContact CB-CE2 3.85Å; W28-F72 HydrophobicContact CB-CG 4.19Å; W28-F72 HydrophobicContact CB-CZ 3.69Å; W28-F72 HydrophobicContact CD2-CE1 4.23Å; W28-F72 AromaticContact CE3-CE1 3.89Å; W28-F72 HydrophobicContact CE3-CE1 3.89Å; W28-F72 HydrophobicContact CE3-CZ 4.28Å; W28-F72 HydrophobicContact CG-CD1 4.43Å; W28-F72 HydrophobicContact CG-CE1 4.25Å; W28-F72 HydrophobicContact CG-CZ 4.49Å; W30-F72 AromaticContact CD1-CE2 4Å; W30-F72 HydrophobicContact CD2-CE2 4.34Å; W30-F72 AromaticContact CE2-CD2 3.82Å; W30-F72 AromaticContact CE2-CE2 3.7Å; W30-F72 HydrophobicContact CZ2-CD2 4.13Å; W30-F72 HydrophobicContact CZ2-CE2 4.1Å; W30-F72 AromaticContact NE1-CD2 3.3Å; W30-F72 VanDerWaalsContact NE1-CD2 3.3Å; W30-F72 AromaticContact NE1-CE2 3.48Å; I45-F72 HydrophobicContact CG2-CB 4.25Å; I45-F72 HydrophobicContact CG2-CD2 4.47Å; T64-F72 CarbonylContact O-C 3.55Å; T64-F72 VanDerWaalsContact O-CA 3.31Å; T64-F72 WeakPolarHBondContact O-CA 3.29Å; T64-F72 WeakPolarHBondContact O-CB 3.39Å; R65-F72 HydrophobicContact CB-CB 4.07Å; F72-C89 HydrophobicContact CE1-CB 4.44Å; F72-C89 HydrophobicContact CE2-CB 3.89Å; F72-C89 HydrophobicContact CZ-CB 3.51Å
73	F	97.2	Very high	94.3	Very high	22 Å²	22	49.3 Å²	49.3	10%	0.096	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	150.3	-164.8	-46.7	-83.7	0	0	0	110.9	F11 L12 T13 W30 I63 T64 D66 Q71	F11-F73 HydrophobicContact CE1-CB 4.46Å; F11-F73 AromaticContact CE1-CD1 3.62Å; F11-F73 HydrophobicContact CE1-CD1 3.62Å; F11-F73 HydrophobicContact CE1-CE1 4.24Å; F11-F73 HydrophobicContact CE1-CG 4.3Å; F11-F73 HydrophobicContact CE2-CB 3.82Å; F11-F73 HydrophobicContact CE2-CD1 4.32Å; F11-F73 HydrophobicContact CE2-CG 4.19Å; F11-F73 HydrophobicContact CZ-CB 3.66Å; F11-F73 AromaticContact CZ-CD1 3.31Å; F11-F73 HydrophobicContact CZ-CD1 3.31Å; F11-F73 HydrophobicContact CZ-CD2 4.48Å; F11-F73 HydrophobicContact CZ-CE1 4.05Å; F11-F73 AromaticContact CZ-CG 3.57Å; F11-F73 HydrophobicContact CZ-CG 3.57Å; L12-F73 CarbonylContact O-C 3.58Å; L12-F73 WeakPolarHBondContact O-CA 3.34Å; T13-F73 HydrophobicContact CG2-CD1 3.83Å; T13-F73 HydrophobicContact CG2-CE1 3.52Å; T13-F73 WeakPolarHBondContact OG1-CD1 3.36Å; W30-F73 PolarHBondContact NE1-O 2.89Å; I63-F73 WeakPolarHBondContact CA-O 3.38Å; T64-F73 PolarHBondContact N-O 2.94Å; T64-F73 VanDerWaalsContact N-O 3.16Å; T64-F73 PolarHBondContact O-N 2.84Å; T64-F73 WeakPolarHBondContact OG1-CD2 3.41Å; D66-F73 HydrophobicContact CB-CE2 3.61Å; D66-F73 HydrophobicContact CB-CZ 3.87Å; Q71-F73 HydrophobicContact CB-CE1 4.08Å; Q71-F73 HydrophobicContact CB-CE2 4.21Å; Q71-F73 HydrophobicContact CB-CZ 3.63Å
74	L	97.4	Very high	94.2	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	124.5	168.7	175.6	69.1	0	0	0	108.2	F11 L12 W30 I42 T61 I63 M76 Y87	F11-L74 CarbonylContact C-O 3.56Å; F11-L74 WeakPolarHBondContact CA-O 3.4Å; L12-L74 HydrophobicContact CB-CB 4.33Å; L12-L74 HydrophobicContact CD1-CD2 4.28Å; L12-L74 PolarHBondContact N-O 3.18Å; L12-L74 PolarHBondContact O-N 3.15Å; W30-L74 HydrophobicContact CB-CD1 4.46Å; W30-L74 HydrophobicContact CB-CD2 4.21Å; W30-L74 HydrophobicContact CD2-CB 3.62Å; W30-L74 HydrophobicContact CD2-CD2 4.04Å; W30-L74 HydrophobicContact CD2-CG 4.36Å; W30-L74 VanDerWaalsContact CE2-CB 3.44Å; W30-L74 HydrophobicContact CE3-CB 4.18Å; W30-L74 HydrophobicContact CE3-CD2 4.09Å; W30-L74 HydrophobicContact CG-CB 3.88Å; W30-L74 HydrophobicContact CG-CD1 4.28Å; W30-L74 HydrophobicContact CG-CD2 4.11Å; W30-L74 HydrophobicContact CG-CG 4.33Å; W30-L74 HydrophobicContact CH2-CB 4.4Å; W30-L74 HydrophobicContact CZ2-CB 3.87Å; I42-L74 HydrophobicContact CD1-CD2 3.84Å; I42-L74 HydrophobicContact CG2-CD1 3.93Å; T61-L74 HydrophobicContact CG2-CD1 3.46Å; T61-L74 VanDerWaalsContact CG2-CD1 3.46Å; I63-L74 HydrophobicContact CG1-CD1 3.98Å; L74-M76 HydrophobicContact CD1-CG 4.06Å; L74-M76 HydrophobicContact CD2-CG 4.24Å; L74-M76 HydrophobicContact CD2-SD 4.18Å; L74-M76 HydrophobicContact CG-CG 4.08Å; L74-Y87 HydrophobicContact CD2-CD1 3.74Å; L74-Y87 HydrophobicContact CD2-CE1 4.04Å
75	E	95.6	Very high	94.1	Very high	64 Å²	64	48.3 Å²	48.3	30%	0.299	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	127.1	166.8	-168.4	-171.7	136.1	0	0	108.4	T9 V10 F11 T61 T62 N77	T9-E75 HydrophobicContact CG2-CG 3.4Å; V10-E75 CarbonylContact O-C 3.43Å; V10-E75 VanDerWaalsContact O-CA 3.3Å; V10-E75 WeakPolarHBondContact O-CA 3.3Å; F11-E75 HydrophobicContact CD2-CB 4.25Å; F11-E75 HydrophobicContact CD2-CG 4.46Å; T61-E75 CarbonylContact C-O 3.58Å; T61-E75 WeakPolarHBondContact CA-O 3.09Å; T62-E75 PolarHBondContact N-O 3.41Å; T62-E75 PolarHBondContact O-N 2.8Å; E75-N77 PolarHBondContact OE1-ND2 2.83Å; E75-N77 PolarHBondContact OE1-OD1 2.62Å
76	M	93.9	Very high	94.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	122.5	171.6	-71.6	-173.6	68.1	0	0	110	T9 V10 I42 L57 R60 T61 L74 L79 Y87	T9-M76 CarbonylContact C-O 3.54Å; T9-M76 VanDerWaalsContact CA-O 3.29Å; T9-M76 WeakPolarHBondContact CA-O 3.07Å; V10-M76 HydrophobicContact CG1-CB 3.83Å; V10-M76 PolarHBondContact N-O 3.36Å; V10-M76 PolarHBondContact O-N 3.16Å; I42-M76 HydrophobicContact CD1-SD 4.2Å; L57-M76 HydrophobicContact CD2-CE 4.46Å; R60-M76 CarbonylContact O-C 3.59Å; R60-M76 WeakPolarHBondContact O-CA 3.42Å; T61-M76 HydrophobicContact CG2-CG 4.25Å; L74-M76 HydrophobicContact CD1-CG 4.06Å; L74-M76 HydrophobicContact CD2-CG 4.24Å; L74-M76 HydrophobicContact CD2-SD 4.18Å; L74-M76 HydrophobicContact CG-CG 4.08Å; M76-L79 HydrophobicContact CB-CD2 4.02Å; M76-Y87 HydrophobicContact SD-CE1 3.63Å
77	N	92.8	Very high	94.2	Very high	45 Å²	45	44.8 Å²	44.8	24%	0.241	25%	0.252	C	S	.	.			trans	-94.9	161.9	-179.6	-71.2	-59	0	0	0	111.4	T9 R60 E75 L79	T9-N77 WeakPolarHBondContact CB-OD1 3.03Å; T9-N77 WeakPolarHBondContact CG2-OD1 3.19Å; T9-N77 PolarHBondContact OG1-OD1 2.83Å; R60-N77 PolarHBondContact O-N 2.93Å; E75-N77 PolarHBondContact OE1-ND2 2.83Å; E75-N77 PolarHBondContact OE1-OD1 2.62Å; N77-L79 PolarHBondContact O-N 3.05Å
78	S	89.9	Confident	94.3	Very high	79 Å²	79	44.2 Å²	44.2	55%	0.552	24%	0.244	S	C	*	.	S	Bend	trans	53.9	48.1	174.2	-57.1	0	0	0	0	113.3
79	L	89.9	Confident	94.3	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.01	21%	0.211	C	C	.	.			trans	-63.5	141.2	-178.2	-69.4	175.6	0	0	0	112.4	V4 P6 S7 Q8 V10 M76 N77 D83 V109	V4-L79 HydrophobicContact CB-CD1 4.47Å; V4-L79 HydrophobicContact CG1-CD1 3.76Å; P6-L79 WeakPolarHBondContact CA-O 3.34Å; S7-L79 PolarHBondContact N-O 2.85Å; Q8-L79 WeakPolarHBondContact O-CB 3.28Å; Q8-L79 WeakPolarHBondContact O-CG 3.29Å; Q8-L79 PolarHBondContact O-N 3.49Å; V10-L79 HydrophobicContact CB-CD1 3.59Å; V10-L79 HydrophobicContact CG1-CD1 3.6Å; V10-L79 HydrophobicContact CG1-CD2 4.07Å; V10-L79 HydrophobicContact CG1-CG 4.28Å; M76-L79 HydrophobicContact CB-CD2 4.02Å; N77-L79 PolarHBondContact O-N 3.05Å; L79-D83 VanDerWaalsContact CA-OD2 3.3Å; L79-D83 WeakPolarHBondContact CA-OD2 3.47Å; L79-D83 HydrophobicContact CD2-CB 3.65Å; L79-D83 WeakPolarHBondContact CD2-OD2 3.46Å; L79-V109 HydrophobicContact CB-CG1 4.39Å; L79-V109 HydrophobicContact CB-CG2 4.04Å; L79-V109 HydrophobicContact CD1-CG2 4.19Å
80	T	90.4	Very high	94.2	Very high	62 Å²	62	33.2 Å²	33.2	38%	0.38	19%	0.186	S	C	.	.			trans	-118.8	169.9	173.7	71.8	0	0	0	0	110.6	E82 D83 V109	T80-E82 PolarHBondContact O-N 2.96Å; T80-E82 VanDerWaalsContact O-N 3.13Å; T80-E82 PolarHBondContact OG1-N 3.26Å; T80-D83 PolarHBondContact N-OD2 2.91Å; T80-D83 WeakPolarHBondContact O-CB 3.37Å; T80-D83 PolarHBondContact O-N 2.96Å; T80-V109 WeakPolarHBondContact O-CB 3.2Å; T80-V109 WeakPolarHBondContact O-CG1 3.47Å
81	A	89.6	Confident	94	Very high	54 Å²	54	33.7 Å²	33.7	45%	0.446	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-55.3	-29.9	175.8	0	0	0	0	0	112.7	D83 T84	A81-D83 PolarHBondContact O-N 3Å; A81-T84 VanDerWaalsContact O-CB 3.32Å; A81-T84 WeakPolarHBondContact O-CB 3.34Å; A81-T84 PolarHBondContact O-N 2.85Å; A81-T84 PolarHBondContact O-OG1 3.23Å; A81-T84 VanDerWaalsContact O-OG1 3.05Å
82	E	89.5	Confident	93.5	Very high	158 Å²	158	32.2 Å²	32.2	74%	0.738	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-66.2	-17.7	176.7	-58.8	-177.8	172.2	0	0	113.1	F34 T80 T84	F34-E82 WeakPolarHBondContact CE1-O 3.3Å; T80-E82 PolarHBondContact O-N 2.96Å; T80-E82 VanDerWaalsContact O-N 3.13Å; T80-E82 PolarHBondContact OG1-N 3.26Å; E82-T84 VanDerWaalsContact C-N 3.26Å; E82-T84 PolarHBondContact O-N 3.2Å
83	D	91.8	Very high	92.8	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-84.3	-0.4	177	-60.7	-48.9	0	0	0	113.5	R32 R60 L79 T80 A81 A85 Y87 V109	R32-D83 IonicContact CZ-OD1 3.65Å; R32-D83 IonicContact NH1-OD1 2.68Å; R32-D83 PolarHBondContact NH1-OD1 3.13Å; R32-D83 IonicContact NH2-OD1 3.77Å; R60-D83 IonicContact CZ-OD1 2.96Å; R60-D83 VanDerWaalsContact CZ-OD1 3.26Å; R60-D83 IonicContact CZ-OD2 2.71Å; R60-D83 IonicContact NH1-OD1 3.25Å; R60-D83 PolarHBondContact NH1-OD1 2.81Å; R60-D83 IonicContact NH1-OD2 2.68Å; R60-D83 PolarHBondContact NH1-OD2 2.99Å; R60-D83 IonicContact NH2-OD1 3.26Å; R60-D83 PolarHBondContact NH2-OD1 2.83Å; R60-D83 IonicContact NH2-OD2 3.69Å; L79-D83 VanDerWaalsContact CA-OD2 3.3Å; L79-D83 WeakPolarHBondContact CA-OD2 3.47Å; L79-D83 HydrophobicContact CD2-CB 3.65Å; L79-D83 WeakPolarHBondContact CD2-OD2 3.46Å; T80-D83 PolarHBondContact N-OD2 2.91Å; T80-D83 WeakPolarHBondContact O-CB 3.37Å; T80-D83 PolarHBondContact O-N 2.96Å; A81-D83 PolarHBondContact O-N 3Å; D83-A85 PolarHBondContact O-N 3.11Å; D83-Y87 PolarHBondContact O-OH 3.35Å; D83-Y87 VanDerWaalsContact O-OH 3.13Å; D83-V109 HydrophobicContact CB-CG2 4.42Å
84	T	93.8	Very high	91.4	Very high	36 Å²	36	36.3 Å²	36.3	22%	0.221	20%	0.198	C	C	.	.			trans	-62.6	109.4	174.2	-65.3	0	0	0	0	110.1	A81 E82 V107 T108 V109	A81-T84 VanDerWaalsContact O-CB 3.32Å; A81-T84 WeakPolarHBondContact O-CB 3.34Å; A81-T84 PolarHBondContact O-N 2.85Å; A81-T84 PolarHBondContact O-OG1 3.23Å; A81-T84 VanDerWaalsContact O-OG1 3.05Å; E82-T84 VanDerWaalsContact C-N 3.26Å; E82-T84 PolarHBondContact O-N 3.2Å; T84-V107 WeakPolarHBondContact CA-O 3.41Å; T84-T108 HydrophobicContact CG2-CG2 4.22Å; T84-V109 PolarHBondContact OG1-N 3.23Å; T84-V109 PolarHBondContact OG1-O 2.98Å
85	A	95.8	Very high	89.9	Confident	4 Å²	4	43.3 Å²	43.3	3%	0.033	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	167.5	-174.6	0	0	0	0	0	111.2	R32 Q33 F34 D83 Y87 V107	R32-A85 HydrophobicContact CB-CB 3.85Å; R32-A85 HydrophobicContact CG-CB 4.45Å; Q33-A85 WeakPolarHBondContact O-CA 3.36Å; Q33-A85 WeakPolarHBondContact O-CB 3.49Å; F34-A85 HydrophobicContact CD1-CB 4.03Å; F34-A85 HydrophobicContact CE1-CB 4.27Å; D83-A85 PolarHBondContact O-N 3.11Å; A85-Y87 HydrophobicContact CB-CD2 4.36Å; A85-Y87 HydrophobicContact CB-CE2 3.95Å; A85-Y87 WeakPolarHBondContact O-CD2 3.45Å; A85-V107 PolarHBondContact N-O 2.78Å; A85-V107 VanDerWaalsContact N-O 3.15Å; A85-V107 PolarHBondContact O-N 3.3Å
86	T	96.8	Very high	88.5	Confident	36 Å²	36	47.9 Å²	47.9	22%	0.221	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	122.2	163.8	-54.8	0	0	0	0	109.1	R32 Q33 Y88	R32-T86 CarbonylContact C-O 3.44Å; R32-T86 WeakPolarHBondContact CA-O 3.42Å; Q33-T86 PolarHBondContact N-O 2.83Å; Q33-T86 PolarHBondContact O-N 2.73Å; T86-Y88 HydrophobicContact CG2-CD2 4.35Å; T86-Y88 HydrophobicContact CG2-CE1 3.96Å; T86-Y88 HydrophobicContact CG2-CE2 3.61Å; T86-Y88 WeakPolarHBondContact CG2-OH 3.31Å; T86-Y88 WeakPolarHBondContact O-CD2 3.43Å; T86-Y88 WeakPolarHBondContact O-CE2 3.31Å
87	Y	96.8	Very high	87.4	Confident	1 Å²	1	51.3 Å²	51.3	0%	0.004	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	124.1	-177.3	-72.4	-103.8	0	0	0	110.3	L12 I31 R32 I42 L74 M76 D83 A85 G104 T105 V107	L12-Y87 HydrophobicContact CD1-CD1 3.86Å; L12-Y87 HydrophobicContact CD1-CD2 4.28Å; L12-Y87 HydrophobicContact CD1-CG 3.55Å; I31-Y87 CarbonylContact O-C 3.57Å; I31-Y87 WeakPolarHBondContact O-CA 3.49Å; R32-Y87 HydrophobicContact CB-CD1 3.94Å; R32-Y87 HydrophobicContact CB-CE1 3.95Å; R32-Y87 HydrophobicContact CB-CE2 4.5Å; R32-Y87 HydrophobicContact CB-CG 4.25Å; R32-Y87 PolarHBondContact NH1-OH 2.77Å; I42-Y87 HydrophobicContact CD1-CD1 3.65Å; I42-Y87 HydrophobicContact CD1-CE1 3.57Å; L74-Y87 HydrophobicContact CD2-CD1 3.74Å; L74-Y87 HydrophobicContact CD2-CE1 4.04Å; M76-Y87 HydrophobicContact SD-CE1 3.63Å; D83-Y87 PolarHBondContact O-OH 3.35Å; D83-Y87 VanDerWaalsContact O-OH 3.13Å; A85-Y87 HydrophobicContact CB-CD2 4.36Å; A85-Y87 HydrophobicContact CB-CE2 3.95Å; A85-Y87 WeakPolarHBondContact O-CD2 3.45Å; Y87-G104 CarbonylContact O-C 3.58Å; Y87-G104 VanDerWaalsContact O-CA 3.23Å; Y87-G104 WeakPolarHBondContact O-CA 3.34Å; Y87-T105 PolarHBondContact N-O 3.05Å; Y87-T105 PolarHBondContact O-N 3.33Å; Y87-V107 HydrophobicContact CD2-CB 3.95Å; Y87-V107 HydrophobicContact CD2-CG2 3.67Å; Y87-V107 HydrophobicContact CE2-CB 3.8Å; Y87-V107 HydrophobicContact CE2-CG1 4.46Å; Y87-V107 HydrophobicContact CE2-CG2 3.95Å
88	Y	96.7	Very high	86.5	Confident	44 Å²	44	52.1 Å²	52.1	17%	0.173	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	142	180	-58.5	-87.6	0	0	0	109.9	W30 I31 Q33 T86 W101 G102 G104	W30-Y88 WeakPolarHBondContact CA-O 3.25Å; I31-Y88 PolarHBondContact N-O 2.83Å; I31-Y88 PolarHBondContact O-N 3Å; Q33-Y88 HydrophobicContact CB-CD2 4.28Å; Q33-Y88 HydrophobicContact CB-CE2 3.61Å; Q33-Y88 PolarHBondContact OE1-OH 3.17Å; T86-Y88 HydrophobicContact CG2-CD2 4.35Å; T86-Y88 HydrophobicContact CG2-CE1 3.96Å; T86-Y88 HydrophobicContact CG2-CE2 3.61Å; T86-Y88 WeakPolarHBondContact CG2-OH 3.31Å; T86-Y88 WeakPolarHBondContact O-CD2 3.43Å; T86-Y88 WeakPolarHBondContact O-CE2 3.31Å; Y88-W101 HydrophobicContact CD1-CE3 4.37Å; Y88-W101 HydrophobicContact CD2-CZ3 4.36Å; Y88-W101 AromaticContact CG-CE3 3.97Å; Y88-W101 HydrophobicContact CG-CE3 3.97Å; Y88-W101 HydrophobicContact CG-CZ3 4.18Å; Y88-G102 WeakPolarHBondContact CD1-O 3.1Å; Y88-G104 VanDerWaalsContact CE1-CA 3.5Å
89	C	95.7	Very high	85.9	Confident	17 Å²	17	52.8 Å²	52.8	12%	0.115	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	142	158.4	57.5	0	0	0	0	109.5	C14 S29 W30 F72 G102	C14-C89 HydrophobicContact CB-CB 3.41Å; C14-C89 VanDerWaalsContact CB-CB 3.41Å; C14-C89 WeakPolarHBondContact CB-SG 3.32Å; C14-C89 WeakPolarHBondContact SG-CB 3.34Å; C14-C89 CovalentContact SG-SG 2.04Å; C14-C89 PolarHBondContact SG-SG 3.21Å; S29-C89 CarbonylContact O-C 3.59Å; S29-C89 VanDerWaalsContact O-CA 3.31Å; S29-C89 WeakPolarHBondContact O-CA 3.43Å; W30-C89 HydrophobicContact CD2-CB 4.46Å; W30-C89 HydrophobicContact CE3-CB 4.16Å; W30-C89 HydrophobicContact CH2-CB 4.17Å; W30-C89 HydrophobicContact CZ2-CB 4.46Å; W30-C89 HydrophobicContact CZ3-CB 4.01Å; F72-C89 HydrophobicContact CE1-CB 4.44Å; F72-C89 HydrophobicContact CE2-CB 3.89Å; F72-C89 HydrophobicContact CZ-CB 3.51Å; C89-G102 PolarHBondContact O-N 3.25Å
90	A	94.6	Very high	85.7	Confident	3 Å²	3	59.6 Å²	59.6	3%	0.025	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	155.9	179.5	0	0	0	0	0	110.9	S29 I31 M98 Y100 W101	S29-A90 PolarHBondContact N-O 2.81Å; S29-A90 PolarHBondContact O-N 2.83Å; I31-A90 HydrophobicContact CD1-CB 3.75Å; A90-M98 HydrophobicContact CB-CB 4.47Å; A90-M98 HydrophobicContact CB-CG 4.39Å; A90-M98 HydrophobicContact CB-SD 4.23Å; A90-Y100 CarbonylContact C-O 3.56Å; A90-Y100 WeakPolarHBondContact CA-O 3.31Å; A90-W101 HydrophobicContact CB-CD2 3.96Å; A90-W101 HydrophobicContact CB-CE3 4.28Å; A90-W101 HydrophobicContact CB-CG 4.27Å
91	R	91.9	Very high	85.9	Confident	38 Å²	38	61.9 Å²	61.9	14%	0.143	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132.1	174.8	-171.5	-169.8	78	-166.3	11.3	109.7	Y26 R27 W28 M98 D99 Y100	Y26-R91 HydrophobicContact CD1-CG 3.91Å; Y26-R91 HydrophobicContact CG-CG 4.19Å; R27-R91 WeakPolarHBondContact O-CA 3.44Å; W28-R91 HydrophobicContact CD2-CG 4.45Å; W28-R91 HydrophobicContact CE3-CB 3.88Å; W28-R91 HydrophobicContact CE3-CG 3.82Å; W28-R91 HydrophobicContact CH2-CB 4.37Å; W28-R91 HydrophobicContact CH2-CG 3.72Å; W28-R91 HydrophobicContact CZ2-CG 4.3Å; W28-R91 HydrophobicContact CZ3-CB 3.61Å; W28-R91 HydrophobicContact CZ3-CG 3.44Å; W28-R91 VanDerWaalsContact CZ3-CG 3.44Å; R91-M98 CarbonylContact O-C 3.55Å; R91-M98 WeakPolarHBondContact O-CA 3.15Å; R91-D99 PolarHBondContact O-N 2.79Å; R91-Y100 PolarHBondContact N-O 3.02Å
92	D	86.3	Confident	86	Confident	10 Å²	10	60.6 Å²	60.6	5%	0.053	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	152	165.1	65	-81.3	0	0	0	110.7	Y26 R27 S29 M98	Y26-D92 CarbonylContact C-O 3.53Å; Y26-D92 VanDerWaalsContact CA-O 3.29Å; Y26-D92 WeakPolarHBondContact CA-O 3Å; R27-D92 VanDerWaalsContact CB-OD1 3.27Å; R27-D92 WeakPolarHBondContact CB-OD1 3Å; R27-D92 WeakPolarHBondContact CB-OD2 3.43Å; R27-D92 VanDerWaalsContact CD-OD2 3.29Å; R27-D92 WeakPolarHBondContact CD-OD2 3.24Å; R27-D92 PolarHBondContact N-O 3.11Å; R27-D92 IonicContact NH1-OD2 2.79Å; R27-D92 PolarHBondContact NH1-OD2 2.85Å; R27-D92 PolarHBondContact O-N 3.19Å; S29-D92 PolarHBondContact OG-OD1 2.81Å; D92-M98 HydrophobicContact CB-CG 3.93Å
93	Y	81.9	Confident	86.2	Confident	84 Å²	84	62.1 Å²	62.1	33%	0.329	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	135.4	169.5	-169.5	-105	0	0	0	107.9	N25 Y26 N95 Y96	N25-Y93 HydrophobicContact CB-CD2 4.22Å; N25-Y93 HydrophobicContact CB-CE2 3.73Å; Y26-Y93 AromaticContact CD1-CD2 3.56Å; Y26-Y93 HydrophobicContact CD1-CD2 3.56Å; Y26-Y93 HydrophobicContact CD1-CG 4.27Å; Y26-Y93 AromaticContact CE1-CD2 3.42Å; Y26-Y93 HydrophobicContact CE1-CD2 3.42Å; Y26-Y93 VanDerWaalsContact CE1-CD2 3.42Å; Y26-Y93 HydrophobicContact CE1-CE2 4.29Å; Y26-Y93 HydrophobicContact CE1-CG 4.14Å; Y26-Y93 HydrophobicContact CG-CD2 4.31Å; Y93-N95 PolarHBondContact O-N 3.38Å; Y93-Y96 AromaticContact CD1-CD2 3.61Å; Y93-Y96 HydrophobicContact CD1-CD2 3.61Å; Y93-Y96 AromaticContact CD1-CE2 3.79Å; Y93-Y96 HydrophobicContact CD1-CE2 3.79Å; Y93-Y96 HydrophobicContact CE1-CE2 4.27Å; Y93-Y96 HydrophobicContact CG-CD2 4.44Å; Y93-Y96 WeakPolarHBondContact O-CB 3.17Å; Y93-Y96 PolarHBondContact O-N 2.84Å
94	S	67.8	Low	86.3	Confident	25 Å²	25	63.4 Å²	63.4	18%	0.175	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.1	113.7	-173.5	-170.4	0	0	0	0	112.6	N25 R27	N25-S94 PolarHBondContact O-N 3.27Å; R27-S94 PolarHBondContact NH2-OG 2.96Å
95	N	66	Low	86.3	Confident	146 Å²	146	64.5 Å²	64.5	78%	0.781	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	10.9	-177.7	-47.2	-44.6	0	0	0	117.4	Y93	Y93-N95 PolarHBondContact O-N 3.38Å
96	Y	67.8	Low	86.3	Confident	161 Å²	161	66.9 Å²	66.9	63%	0.631	34%	0.343	S	S	*	.	S	Bend	trans	-118.2	168	174.5	-63.3	-91.5	0	0	0	111.6	Y93	Y93-Y96 AromaticContact CD1-CD2 3.61Å; Y93-Y96 HydrophobicContact CD1-CD2 3.61Å; Y93-Y96 AromaticContact CD1-CE2 3.79Å; Y93-Y96 HydrophobicContact CD1-CE2 3.79Å; Y93-Y96 HydrophobicContact CE1-CE2 4.27Å; Y93-Y96 HydrophobicContact CG-CD2 4.44Å; Y93-Y96 WeakPolarHBondContact O-CB 3.17Å; Y93-Y96 PolarHBondContact O-N 2.84Å
97	A	69.6	Low	86	Confident	71 Å²	71	65.3 Å²	65.3	59%	0.587	33%	0.334	S	S	*	.			trans	-67	165.6	178.8	0	0	0	0	0	112.2	D99	A97-D99 PolarHBondContact O-N 2.99Å
98	M	73.8	Confident	85.8	Confident	62 Å²	62	68.4 Å²	68.4	31%	0.305	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	90.7	173.6	-73.9	168.7	168.6	0	0	109.9	I31 A90 R91 D92 Y100 W101	I31-M98 HydrophobicContact CD1-CE 3.63Å; I31-M98 HydrophobicContact CD1-SD 3.33Å; I31-M98 WeakPolarHBondContact CD1-SD 3.34Å; I31-M98 HydrophobicContact CG1-CE 4.39Å; A90-M98 HydrophobicContact CB-CB 4.47Å; A90-M98 HydrophobicContact CB-CG 4.39Å; A90-M98 HydrophobicContact CB-SD 4.23Å; R91-M98 CarbonylContact O-C 3.55Å; R91-M98 WeakPolarHBondContact O-CA 3.15Å; D92-M98 HydrophobicContact CB-CG 3.93Å; M98-Y100 VanDerWaalsContact C-N 3.34Å; M98-Y100 PolarHBondContact O-N 3.44Å; M98-W101 HydrophobicContact CB-CZ2 4.24Å; M98-W101 PolarHBondContact O-NE1 2.78Å; M98-W101 HydrophobicContact SD-CH2 4.46Å; M98-W101 HydrophobicContact SD-CZ2 3.85Å
99	D	77.6	Confident	85.3	Confident	93 Å²	93	66.5 Å²	66.5	50%	0.497	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	-21.6	-171.3	-57.6	-31.5	0	0	0	113.5	R91 A97	R91-D99 PolarHBondContact O-N 2.79Å; A97-D99 PolarHBondContact O-N 2.99Å
100	Y	86.6	Confident	84.5	Confident	146 Å²	146	68 Å²	68	57%	0.573	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.4	134.3	-176.8	-69.9	-95.3	0	0	0	112	A90 R91 M98	A90-Y100 CarbonylContact C-O 3.56Å; A90-Y100 WeakPolarHBondContact CA-O 3.31Å; R91-Y100 PolarHBondContact N-O 3.02Å; M98-Y100 VanDerWaalsContact C-N 3.34Å; M98-Y100 PolarHBondContact O-N 3.44Å
101	W	92.9	Very high	83.1	Confident	110 Å²	110	75.3 Å²	75.3	42%	0.417	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	140.4	179.1	-69.2	69	0	0	0	110.1	I31 L39 Y88 A90 M98	I31-W101 HydrophobicContact CB-CH2 4.27Å; I31-W101 HydrophobicContact CB-CZ3 4.06Å; I31-W101 HydrophobicContact CD1-CE3 4.37Å; I31-W101 HydrophobicContact CD1-CH2 3.21Å; I31-W101 HydrophobicContact CD1-CZ2 3.72Å; I31-W101 HydrophobicContact CD1-CZ3 3.57Å; I31-W101 HydrophobicContact CG1-CH2 4.3Å; I31-W101 HydrophobicContact CG1-CZ3 4.43Å; I31-W101 HydrophobicContact CG2-CH2 3.97Å; I31-W101 HydrophobicContact CG2-CZ3 4.01Å; L39-W101 HydrophobicContact CD1-CH2 4.4Å; Y88-W101 HydrophobicContact CD1-CE3 4.37Å; Y88-W101 HydrophobicContact CD2-CZ3 4.36Å; Y88-W101 AromaticContact CG-CE3 3.97Å; Y88-W101 HydrophobicContact CG-CE3 3.97Å; Y88-W101 HydrophobicContact CG-CZ3 4.18Å; A90-W101 HydrophobicContact CB-CD2 3.96Å; A90-W101 HydrophobicContact CB-CE3 4.28Å; A90-W101 HydrophobicContact CB-CG 4.27Å; M98-W101 HydrophobicContact CB-CZ2 4.24Å; M98-W101 PolarHBondContact O-NE1 2.78Å; M98-W101 HydrophobicContact SD-CH2 4.46Å; M98-W101 HydrophobicContact SD-CZ2 3.85Å
102	G	92.9	Very high	82.7	Confident	27 Å²	27	77.2 Å²	77.2	28%	0.278	42%	0.421	S	S	.	.			trans	-70.5	168.4	168.2	0	0	0	0	0	111.7	Y88 C89 G104	Y88-G102 WeakPolarHBondContact CD1-O 3.1Å; C89-G102 PolarHBondContact O-N 3.25Å; G102-G104 PolarHBondContact O-N 3.11Å; G102-G104 VanDerWaalsContact O-N 3.13Å
103	Q	93.2	Very high	82.5	Confident	190 Å²	190	80.7 Å²	80.7	89%	0.888	44%	0.44	S	S	*	.			trans	-65.2	-15	-179.8	-66.3	-63.6	-49.9	0	0	114.1
104	G	93.4	Very high	82.5	Confident	27 Å²	27	80.6 Å²	80.6	28%	0.278	45%	0.446	S	S	.	.			trans	84.5	153.7	-177	0	0	0	0	0	113.1	Y87 Y88 G102	Y87-G104 CarbonylContact O-C 3.58Å; Y87-G104 VanDerWaalsContact O-CA 3.23Å; Y87-G104 WeakPolarHBondContact O-CA 3.34Å; Y88-G104 VanDerWaalsContact CE1-CA 3.5Å; G102-G104 PolarHBondContact O-N 3.11Å; G102-G104 VanDerWaalsContact O-N 3.13Å
105	T	95	Very high	83.4	Confident	59 Å²	59	83.8 Å²	83.8	36%	0.362	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	117.6	172.7	-63	0	0	0	0	109	L12 Y87 V107	L12-T105 HydrophobicContact CD2-CG2 3.87Å; Y87-T105 PolarHBondContact N-O 3.05Å; Y87-T105 PolarHBondContact O-N 3.33Å; T105-V107 HydrophobicContact CG2-CG2 4.46Å
106	S	94.3	Very high	84.5	Confident	54 Å²	54	79.9 Å²	79.9	38%	0.378	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	126.7	175.1	-171	0	0	0	0	110.4
107	V	92.3	Very high	85.6	Confident	4 Å²	4	74.5 Å²	74.5	2%	0.024	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	126.6	175.6	179.6	0	0	0	0	107.6	V4 V10 L12 T84 A85 Y87 T105 V109	V4-V107 HydrophobicContact CG2-CG1 4.16Å; V10-V107 HydrophobicContact CG2-CG1 4.3Å; V10-V107 HydrophobicContact CG2-CG2 4.03Å; L12-V107 HydrophobicContact CD2-CG2 4.27Å; T84-V107 WeakPolarHBondContact CA-O 3.41Å; A85-V107 PolarHBondContact N-O 2.78Å; A85-V107 VanDerWaalsContact N-O 3.15Å; A85-V107 PolarHBondContact O-N 3.3Å; Y87-V107 HydrophobicContact CD2-CB 3.95Å; Y87-V107 HydrophobicContact CD2-CG2 3.67Å; Y87-V107 HydrophobicContact CE2-CB 3.8Å; Y87-V107 HydrophobicContact CE2-CG1 4.46Å; Y87-V107 HydrophobicContact CE2-CG2 3.95Å; T105-V107 HydrophobicContact CG2-CG2 4.46Å; V107-V109 HydrophobicContact CG1-CG2 4.43Å
108	T	91.1	Very high	86.8	Confident	65 Å²	65	74.8 Å²	74.8	40%	0.399	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	123.5	177.8	-53.4	0	0	0	0	109.2	V4 T84	V4-T108 PolarHBondContact N-O 3.3Å; T84-T108 HydrophobicContact CG2-CG2 4.22Å
109	V	86.4	Confident	87.8	Confident	5 Å²	5	75.8 Å²	75.8	3%	0.03	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	108.1	177.6	-171.5	0	0	0	0	108	V4 L79 T80 D83 T84 V107	V4-V109 WeakPolarHBondContact O-CA 3.24Å; L79-V109 HydrophobicContact CB-CG1 4.39Å; L79-V109 HydrophobicContact CB-CG2 4.04Å; L79-V109 HydrophobicContact CD1-CG2 4.19Å; T80-V109 WeakPolarHBondContact O-CB 3.2Å; T80-V109 WeakPolarHBondContact O-CG1 3.47Å; D83-V109 HydrophobicContact CB-CG2 4.42Å; T84-V109 PolarHBondContact OG1-N 3.23Å; T84-V109 PolarHBondContact OG1-O 2.98Å; V107-V109 HydrophobicContact CG1-CG2 4.43Å
110	S	80.1	Confident	88.6	Confident	47 Å²	47	74.3 Å²	74.3	33%	0.329	42%	0.422	S	S	.	.			trans	-78.4	138.6	177.1	54.3	0	0	0	0	110.4	V4 P6	V4-S110 PolarHBondContact O-N 3.3Å; P6-S110 WeakPolarHBondContact CD-O 3.42Å; P6-S110 WeakPolarHBondContact CG-O 3.21Å
111	S	65.3	Low	88.8	Confident	158 Å²	158	67.8 Å²	67.8	100%	1.105	41%	0.408	S	S	*	.			trans	-66.1	0	170	58.9	0	0	0	0	112.9

Retrieved 111 of 111 residues in 28.1 ms (Link to these results)

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