X5J4H0_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4H0, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 108 aa.

						>X5J4H0_MOUSE|X5J4H0
PELVKPGASVKISCKASGYAFSSSWMNWVKQRPGKGLEWIGRIYPGDGDTNYNGKFKGKATLTADKSSSTAYMQLSSLTSEDSAVYFCARELPRGYWGQGTTLTVSSA
					

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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	65	Low	89.9	Confident	148 Å²	148	80 Å²	80	96%	0.961	47%	0.465	S	S	*	.				0	119.1	0	-12.2	29.7	0	0	0	109.5	T102	P1-T102 CarbonylContact C-O 3.47Å; P1-T102 WeakPolarHBondContact CA-O 3.48Å
2	E	80.7	Confident	90.4	Very high	81 Å²	81	73.8 Å²	73.8	38%	0.379	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	121.2	180	-163.2	174.6	169.6	0	0	109.2	V4 V10 T102 L103 T104	E2-V4 HydrophobicContact CG-CG1 3.97Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.3Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.47Å; E2-T102 PolarHBondContact N-O 2.99Å; E2-L103 HydrophobicContact CB-CD1 4.03Å; E2-L103 HydrophobicContact CG-CD1 4.41Å; E2-T104 PolarHBondContact O-N 2.6Å
3	L	89.4	Confident	90.8	Very high	122 Å²	122	73.8 Å²	73.8	64%	0.639	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.2	120.6	177	179.8	65.2	0	0	0	108.8	T104	L3-T104 WeakPolarHBondContact CA-O 3.4Å; L3-T104 HydrophobicContact CD1-CG2 3.86Å
4	V	92.8	Very high	91.1	Very high	19 Å²	19	69.5 Å²	69.5	12%	0.115	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	152.9	-176.9	-59.7	0	0	0	0	111.4	E2 A8 L78 L103 T104 V105 S106	E2-V4 HydrophobicContact CG-CG1 3.97Å; V4-A8 HydrophobicContact CB-CB 4.45Å; V4-L78 HydrophobicContact CB-CD1 4.44Å; V4-L78 HydrophobicContact CG2-CD1 3.5Å; V4-L78 VanDerWaalsContact CG2-CD1 3.5Å; V4-L103 HydrophobicContact CG1-CD1 4.2Å; V4-L103 HydrophobicContact CG2-CD1 3.8Å; V4-L103 HydrophobicContact CG2-CG 4.5Å; V4-T104 PolarHBondContact N-O 2.66Å; V4-V105 HydrophobicContact CG2-CB 4.32Å; V4-V105 HydrophobicContact CG2-CG1 4.35Å; V4-V105 HydrophobicContact CG2-CG2 3.78Å; V4-V105 CarbonylContact O-C 3.55Å; V4-V105 VanDerWaalsContact O-CA 3.3Å; V4-V105 WeakPolarHBondContact O-CA 3.36Å; V4-S106 PolarHBondContact O-N 2.92Å
5	K	93.1	Very high	91.4	Very high	159 Å²	159	75.5 Å²	75.5	69%	0.691	43%	0.43	S	S	*	.			trans	-80	151	176.8	-65.3	-176	179.6	-176.6	0	110.9	A8	K5-A8 WeakPolarHBondContact O-CB 3.4Å; K5-A8 PolarHBondContact O-N 3.26Å
6	P	94.6	Very high	91.4	Very high	70 Å²	70	71.6 Å²	71.6	46%	0.455	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	143.8	169.1	-24.7	34	0	0	0	111.8	A8 L78 V105	P6-A8 PolarHBondContact O-N 3.02Å; P6-L78 CarbonylContact C-O 3.59Å; P6-L78 WeakPolarHBondContact CA-O 3.24Å; P6-V105 HydrophobicContact CB-CG1 4.48Å; P6-V105 HydrophobicContact CG-CG1 4.21Å
7	G	93.1	Very high	91.3	Very high	54 Å²	54	73.4 Å²	73.4	56%	0.557	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	-15.5	-176.3	0	0	0	0	0	114.8	L78	G7-L78 PolarHBondContact N-O 2.83Å
8	A	93.9	Very high	91	Very high	36 Å²	36	74.3 Å²	74.3	30%	0.298	46%	0.455	S	S	.	.			trans	-66.8	164.8	176.2	0	0	0	0	0	112.1	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.45Å; K5-A8 WeakPolarHBondContact O-CB 3.4Å; K5-A8 PolarHBondContact O-N 3.26Å; P6-A8 PolarHBondContact O-N 3.02Å; A8-S77 PolarHBondContact O-N 3.27Å; A8-L78 WeakPolarHBondContact O-CB 3.25Å; A8-L78 VanDerWaalsContact O-CG 3.3Å; A8-L78 WeakPolarHBondContact O-CG 3.23Å; A8-L78 PolarHBondContact O-N 2.88Å
9	S	94.9	Very high	90.6	Very high	69 Å²	69	73.5 Å²	73.5	48%	0.483	44%	0.443	S	S	.	.			trans	-116.3	143.5	169.5	-57.5	0	0	0	0	109.6	L75 S76	S9-L75 CarbonylContact C-O 3.35Å; S9-L75 WeakPolarHBondContact CA-O 3.43Å; S9-L75 WeakPolarHBondContact CB-O 3.31Å; S9-S76 WeakPolarHBondContact OG-CA 3.41Å
10	V	95.1	Very high	90.5	Very high	5 Å²	5	72.9 Å²	72.9	3%	0.03	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	147.5	178.6	68.6	0	0	0	0	110.5	E2 I12 Q74 L75 L78 L103	E2-V10 WeakPolarHBondContact OE1-CG2 3.3Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.47Å; V10-I12 HydrophobicContact CG1-CG1 4.44Å; V10-I12 HydrophobicContact CG2-CG1 4.41Å; V10-Q74 CarbonylContact O-C 3.6Å; V10-Q74 VanDerWaalsContact O-CA 3.26Å; V10-Q74 WeakPolarHBondContact O-CA 3.37Å; V10-L75 HydrophobicContact CG1-CB 4Å; V10-L75 HydrophobicContact CG1-CD1 4.26Å; V10-L75 PolarHBondContact N-O 2.02Å; V10-L75 PolarHBondContact O-N 2.76Å; V10-L78 HydrophobicContact CB-CD1 4.07Å; V10-L78 HydrophobicContact CG1-CD1 3.76Å; V10-L78 HydrophobicContact CG1-CD2 4.46Å; V10-L103 HydrophobicContact CB-CD1 4.47Å; V10-L103 HydrophobicContact CG1-CD1 4.16Å; V10-L103 HydrophobicContact CG1-CD2 3.86Å; V10-L103 HydrophobicContact CG2-CD1 4.3Å
11	K	96.1	Very high	90.6	Very high	117 Å²	117	69.6 Å²	69.6	51%	0.509	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	110.8	174	-174.1	176.1	177.9	179.8	0	109.6	Y72	K11-Y72 HydrophobicContact CD-CD1 4.3Å; K11-Y72 VanDerWaalsContact CE-CB 3.44Å; K11-Y72 HydrophobicContact CG-CD1 4.26Å
12	I	95.9	Very high	91.8	Very high	5 Å²	5	65.4 Å²	65.4	3%	0.026	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	133.5	177.6	-58.3	168.5	0	0	0	108.2	V10 W28 Y72 M73 L75 Y86 T101	V10-I12 HydrophobicContact CG1-CG1 4.44Å; V10-I12 HydrophobicContact CG2-CG1 4.41Å; I12-W28 HydrophobicContact CB-CH2 4.39Å; I12-W28 HydrophobicContact CB-CZ3 4.18Å; I12-W28 HydrophobicContact CG2-CH2 4.02Å; I12-W28 HydrophobicContact CG2-CZ3 3.66Å; I12-Y72 CarbonylContact O-C 3.52Å; I12-Y72 VanDerWaalsContact O-CA 3.24Å; I12-Y72 WeakPolarHBondContact O-CA 3.11Å; I12-M73 HydrophobicContact CD1-CE 3.72Å; I12-M73 PolarHBondContact N-O 2.8Å; I12-M73 PolarHBondContact O-N 2.99Å; I12-L75 HydrophobicContact CD1-CD1 4.27Å; I12-Y86 HydrophobicContact CD1-CD1 4.46Å; I12-Y86 HydrophobicContact CD1-CD2 3.93Å; I12-Y86 HydrophobicContact CD1-CG 3.8Å; I12-T101 HydrophobicContact CG2-CG2 4.5Å
13	S	96.2	Very high	92.3	Very high	74 Å²	74	64.5 Å²	64.5	52%	0.517	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	150.5	178	63.4	0	0	0	0	111.9	A71	S13-A71 CarbonylContact C-O 3.5Å; S13-A71 WeakPolarHBondContact CA-O 3.24Å
14	C	95.4	Very high	92.3	Very high	14 Å²	14	59.8 Å²	59.8	10%	0.095	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	108.2	172.5	176.3	0	0	0	0	109.2	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.72Å; C14-W28 HydrophobicContact CB-CZ2 3.99Å; C14-T70 CarbonylContact O-C 3.52Å; C14-T70 WeakPolarHBondContact O-CA 3.28Å; C14-A71 PolarHBondContact N-O 2.86Å; C14-A71 PolarHBondContact O-N 2.99Å; C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.26Å; C14-C88 WeakPolarHBondContact SG-CB 3.48Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.87Å
15	K	94.8	Very high	92.3	Very high	160 Å²	160	62.2 Å²	62.2	70%	0.696	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	121.7	178	-173.4	172.3	-176.7	177.1	0	109.8
16	A	91.7	Very high	92.4	Very high	12 Å²	12	54.9 Å²	54.9	10%	0.099	36%	0.355	C	S	.	.			trans	-80.4	147.2	174.7	0	0	0	0	0	111.2	Y19 F21 M26 S69	A16-Y19 HydrophobicContact CB-CE1 3.74Å; A16-Y19 HydrophobicContact CB-CE2 4.3Å; A16-Y19 VanDerWaalsContact CB-CZ 3.5Å; A16-Y19 VanDerWaalsContact CB-OH 3.23Å; A16-Y19 WeakPolarHBondContact CB-OH 3.47Å; A16-F21 HydrophobicContact CB-CB 4.12Å; A16-F21 HydrophobicContact CB-CD2 3.37Å; A16-F21 HydrophobicContact CB-CE2 4.07Å; A16-F21 HydrophobicContact CB-CG 4.03Å; A16-M26 HydrophobicContact CB-CE 4.33Å; A16-S69 WeakPolarHBondContact CB-O 3.46Å; A16-S69 PolarHBondContact N-O 3.07Å
17	S	89.3	Confident	92.5	Very high	102 Å²	102	52 Å²	52	71%	0.713	34%	0.336	S	S	*	.			trans	-146.5	150.6	173.6	60.3	0	0	0	0	110.3	Y19	S17-Y19 VanDerWaalsContact O-CD1 3.25Å; S17-Y19 WeakPolarHBondContact O-CD1 3.3Å; S17-Y19 PolarHBondContact O-N 2.85Å
18	G	85.6	Confident	92.7	Very high	90 Å²	90	49.6 Å²	49.6	93%	0.928	31%	0.31	S	S	*	.	S	Bend	trans	77.9	12.2	174.5	0	0	0	0	0	116.3
19	Y	84.3	Confident	92.8	Very high	60 Å²	60	48 Å²	48	24%	0.235	30%	0.297	C	S	.	.	S	Bend	trans	-156.8	168	173.2	66.3	-83.3	0	0	0	112.1	A16 S17 F21 M26 R90	A16-Y19 HydrophobicContact CB-CE1 3.74Å; A16-Y19 HydrophobicContact CB-CE2 4.3Å; A16-Y19 VanDerWaalsContact CB-CZ 3.5Å; A16-Y19 VanDerWaalsContact CB-OH 3.23Å; A16-Y19 WeakPolarHBondContact CB-OH 3.47Å; S17-Y19 VanDerWaalsContact O-CD1 3.25Å; S17-Y19 WeakPolarHBondContact O-CD1 3.3Å; S17-Y19 PolarHBondContact O-N 2.85Å; Y19-F21 HydrophobicContact CE2-CB 4.49Å; Y19-F21 HydrophobicContact CE2-CD2 4.47Å; Y19-F21 PolarHBondContact O-N 3.22Å; Y19-M26 VanDerWaalsContact OH-CE 3.24Å; Y19-M26 WeakPolarHBondContact OH-CE 3.43Å; Y19-R90 HydrophobicContact CE2-CG 4.16Å
20	A	89.1	Confident	92.9	Very high	60 Å²	60	44.8 Å²	44.8	50%	0.496	27%	0.274	S	S	.	.			trans	-74	90.9	175.5	0	0	0	0	0	111.2	S22 S23	A20-S22 VanDerWaalsContact C-N 3.27Å; A20-S22 PolarHBondContact O-N 3.02Å; A20-S23 VanDerWaalsContact CB-OG 3.26Å; A20-S23 WeakPolarHBondContact CB-OG 3.4Å; A20-S23 PolarHBondContact O-N 2.81Å; A20-S23 PolarHBondContact O-OG 3.31Å
21	F	90.8	Very high	92.9	Very high	5 Å²	5	48.1 Å²	48.1	2%	0.022	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-52.9	-39.3	-176.1	176.3	-111.6	0	0	0	114.2	A16 Y19 S23 S24 M26 P45 A64 S69 A71	A16-F21 HydrophobicContact CB-CB 4.12Å; A16-F21 HydrophobicContact CB-CD2 3.37Å; A16-F21 HydrophobicContact CB-CE2 4.07Å; A16-F21 HydrophobicContact CB-CG 4.03Å; Y19-F21 HydrophobicContact CE2-CB 4.49Å; Y19-F21 HydrophobicContact CE2-CD2 4.47Å; Y19-F21 PolarHBondContact O-N 3.22Å; F21-S23 PolarHBondContact O-N 3.13Å; F21-S23 VanDerWaalsContact O-N 3.16Å; F21-S24 PolarHBondContact O-N 3.09Å; F21-M26 HydrophobicContact CD2-CE 4.34Å; F21-M26 HydrophobicContact CE2-CE 3.88Å; F21-P45 HydrophobicContact CD1-CB 3.8Å; F21-P45 HydrophobicContact CD1-CG 4.03Å; F21-P45 HydrophobicContact CD2-CG 4.07Å; F21-P45 HydrophobicContact CE1-CB 3.44Å; F21-P45 VanDerWaalsContact CE1-CB 3.44Å; F21-P45 HydrophobicContact CE1-CG 3.61Å; F21-P45 HydrophobicContact CE2-CB 4.4Å; F21-P45 HydrophobicContact CE2-CG 3.63Å; F21-P45 HydrophobicContact CG-CB 4.45Å; F21-P45 HydrophobicContact CG-CG 4.27Å; F21-P45 HydrophobicContact CZ-CB 3.78Å; F21-P45 HydrophobicContact CZ-CG 3.39Å; F21-P45 WeakPolarHBondContact O-CG 3.39Å; F21-A64 HydrophobicContact CE1-CB 4.1Å; F21-A64 HydrophobicContact CZ-CB 3.99Å; F21-S69 VanDerWaalsContact CD1-CA 3.49Å; F21-A71 HydrophobicContact CE2-CB 4.11Å; F21-A71 HydrophobicContact CZ-CB 3.92Å
22	S	91.4	Very high	92.7	Very high	59 Å²	59	45.7 Å²	45.7	41%	0.413	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-67.5	-10	178.5	52.5	0	0	0	0	114.8	A20 G46	A20-S22 VanDerWaalsContact C-N 3.27Å; A20-S22 PolarHBondContact O-N 3.02Å; S22-G46 WeakPolarHBondContact O-CA 3.26Å; S22-G46 PolarHBondContact O-N 2.9Å; S22-G46 VanDerWaalsContact O-N 3.14Å
23	S	90.6	Very high	92.4	Very high	63 Å²	63	51.1 Å²	51.1	44%	0.441	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-114.5	13.2	-176.7	68.2	0	0	0	0	113.6	A20 F21 Y44	A20-S23 VanDerWaalsContact CB-OG 3.26Å; A20-S23 WeakPolarHBondContact CB-OG 3.4Å; A20-S23 PolarHBondContact O-N 2.81Å; A20-S23 PolarHBondContact O-OG 3.31Å; F21-S23 PolarHBondContact O-N 3.13Å; F21-S23 VanDerWaalsContact O-N 3.16Å; S23-Y44 VanDerWaalsContact C-CE2 3.43Å; S23-Y44 WeakPolarHBondContact CA-OH 3.21Å
24	S	90.3	Very high	92.1	Very high	23 Å²	23	51.8 Å²	51.8	16%	0.161	33%	0.331	C	S	.	.	S	Bend	trans	-139.3	138	-174.1	-60.5	0	0	0	0	111.8	F21 P45	F21-S24 PolarHBondContact O-N 3.09Å; S24-P45 WeakPolarHBondContact O-CD 3.41Å
25	W	93.1	Very high	91.8	Very high	70 Å²	70	58 Å²	58	27%	0.265	36%	0.357	S	S	.	.			trans	-63.9	138.3	173.1	-71.8	97	0	0	0	110.9	R42 Y44 D49 R90	W25-R42 HydrophobicContact CD2-CG 4.23Å; W25-R42 HydrophobicContact CE3-CB 3.97Å; W25-R42 HydrophobicContact CE3-CG 3.42Å; W25-R42 VanDerWaalsContact CE3-CG 3.42Å; W25-R42 HydrophobicContact CZ3-CG 3.73Å; W25-Y44 AromaticContact CD2-CD2 3.97Å; W25-Y44 HydrophobicContact CD2-CD2 3.97Å; W25-Y44 HydrophobicContact CD2-CG 4.35Å; W25-Y44 AromaticContact CE2-CD2 3.86Å; W25-Y44 VanDerWaalsContact CE3-N 3.27Å; W25-Y44 HydrophobicContact CG-CD2 4.08Å; W25-Y44 HydrophobicContact CZ2-CD2 4.4Å; W25-Y44 HydrophobicContact CZ2-CG 4.25Å; W25-Y44 AromaticContact NE1-CD2 3.85Å; W25-D49 HydrophobicContact CH2-CB 3.98Å; W25-D49 WeakPolarHBondContact CH2-OD2 3.46Å; W25-D49 WeakPolarHBondContact CZ3-O 3.28Å; W25-R90 WeakPolarHBondContact O-CA 3.27Å; W25-R90 VanDerWaalsContact O-O 3.06Å
26	M	95.1	Very high	91.6	Very high	4 Å²	4	53 Å²	53	2%	0.02	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	114.6	167.8	-174.5	66.2	74.8	0	0	108.9	A16 Y19 F21 R42 I43 A71 C88	A16-M26 HydrophobicContact CB-CE 4.33Å; Y19-M26 VanDerWaalsContact OH-CE 3.24Å; Y19-M26 WeakPolarHBondContact OH-CE 3.43Å; F21-M26 HydrophobicContact CD2-CE 4.34Å; F21-M26 HydrophobicContact CE2-CE 3.88Å; M26-R42 CarbonylContact O-C 3.52Å; M26-R42 WeakPolarHBondContact O-CA 3.37Å; M26-R42 WeakPolarHBondContact O-CB 3.41Å; M26-I43 HydrophobicContact CB-CG2 4.04Å; M26-I43 PolarHBondContact N-O 2.86Å; M26-I43 PolarHBondContact O-N 3.17Å; M26-A71 HydrophobicContact CB-CB 4.15Å; M26-A71 HydrophobicContact CE-CB 4.47Å; M26-A71 HydrophobicContact CG-CB 3.69Å; M26-C88 HydrophobicContact CG-CB 4.38Å; M26-C88 HydrophobicContact SD-CB 3.75Å
27	N	96.1	Very high	91.7	Very high	11 Å²	11	56.8 Å²	56.8	6%	0.059	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	148.8	176.9	-59.1	-90.3	0	0	0	110.3	W39 G41 R42 C88 A89 R90 L92	N27-W39 PolarHBondContact OD1-NE1 3.48Å; N27-W39 VanDerWaalsContact OD1-NE1 3.15Å; N27-G41 CarbonylContact C-O 3.5Å; N27-G41 WeakPolarHBondContact CA-O 3.24Å; N27-R42 HydrophobicContact CB-CB 4.46Å; N27-R42 WeakPolarHBondContact OD1-CB 3.18Å; N27-C88 CarbonylContact O-C 3.54Å; N27-C88 WeakPolarHBondContact O-CA 2.98Å; N27-A89 WeakPolarHBondContact CA-O 3.41Å; N27-A89 HydrophobicContact CB-CB 4.46Å; N27-A89 VanDerWaalsContact CB-O 3.28Å; N27-A89 WeakPolarHBondContact CB-O 3.35Å; N27-A89 PolarHBondContact N-O 3.46Å; N27-A89 PolarHBondContact ND2-O 3.4Å; N27-A89 PolarHBondContact O-N 3.06Å; N27-R90 PolarHBondContact ND2-O 3.27Å; N27-R90 VanDerWaalsContact ND2-O 3.17Å; N27-L92 HydrophobicContact CB-CD1 3.8Å; N27-L92 HydrophobicContact CB-CG 4.2Å
28	W	97.1	Very high	92	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.008	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	134.3	172.6	-69.7	91.4	0	0	0	109.8	I12 C14 I40 G41 L62 A71 M73 F87 C88	I12-W28 HydrophobicContact CB-CH2 4.39Å; I12-W28 HydrophobicContact CB-CZ3 4.18Å; I12-W28 HydrophobicContact CG2-CH2 4.02Å; I12-W28 HydrophobicContact CG2-CZ3 3.66Å; C14-W28 HydrophobicContact CB-CH2 3.72Å; C14-W28 HydrophobicContact CB-CZ2 3.99Å; W28-I40 HydrophobicContact CB-CB 4.14Å; W28-I40 HydrophobicContact CB-CD1 4.3Å; W28-I40 WeakPolarHBondContact O-CB 3.44Å; W28-I40 PolarHBondContact O-N 3.14Å; W28-G41 PolarHBondContact N-O 3.15Å; W28-L62 VanDerWaalsContact CD1-CD2 3.47Å; W28-L62 HydrophobicContact CG-CD2 3.97Å; W28-A71 HydrophobicContact CZ2-CB 4.14Å; W28-M73 HydrophobicContact CB-SD 3.87Å; W28-M73 HydrophobicContact CD2-CB 3.62Å; W28-M73 HydrophobicContact CD2-CE 4.4Å; W28-M73 HydrophobicContact CD2-CG 4.41Å; W28-M73 HydrophobicContact CD2-SD 4.03Å; W28-M73 HydrophobicContact CE3-CB 3.81Å; W28-M73 HydrophobicContact CE3-CE 3.76Å; W28-M73 HydrophobicContact CE3-SD 3.99Å; W28-M73 HydrophobicContact CG-CB 4.17Å; W28-M73 HydrophobicContact CG-SD 4.01Å; W28-M73 HydrophobicContact CH2-CB 4.03Å; W28-M73 HydrophobicContact CZ2-CB 3.87Å; W28-M73 HydrophobicContact CZ3-CB 4.02Å; W28-M73 HydrophobicContact CZ3-CE 4.23Å; W28-F87 WeakPolarHBondContact CA-O 3.44Å; W28-C88 HydrophobicContact CD2-CB 4.49Å; W28-C88 HydrophobicContact CE3-CB 4.28Å; W28-C88 HydrophobicContact CH2-CB 4.4Å; W28-C88 HydrophobicContact CZ3-CB 4.24Å
29	V	96.3	Very high	92.4	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.024	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	136.1	-172.8	-176.7	0	0	0	0	109.4	L37 E38 Y86 F87 L92 W97	V29-L37 HydrophobicContact CG1-CB 3.79Å; V29-L37 HydrophobicContact CG1-CD2 3.95Å; V29-L37 HydrophobicContact CG1-CG 4.35Å; V29-E38 CarbonylContact C-O 3.59Å; V29-E38 WeakPolarHBondContact CA-O 3.06Å; V29-Y86 CarbonylContact O-C 3.57Å; V29-Y86 WeakPolarHBondContact O-CA 3.39Å; V29-F87 HydrophobicContact CB-CB 4.49Å; V29-F87 PolarHBondContact N-O 3.22Å; V29-F87 PolarHBondContact O-N 2.92Å; V29-L92 HydrophobicContact CG2-CD1 4.14Å; V29-L92 HydrophobicContact CG2-CD2 4.42Å; V29-W97 HydrophobicContact CB-CH2 4.33Å; V29-W97 HydrophobicContact CB-CZ3 3.92Å; V29-W97 HydrophobicContact CG1-CH2 4.24Å; V29-W97 HydrophobicContact CG1-CZ3 4.12Å; V29-W97 HydrophobicContact CG2-CH2 3.95Å; V29-W97 HydrophobicContact CG2-CZ3 3.85Å
30	K	95.9	Very high	93	Very high	1 Å²	1	49.8 Å²	49.8	0%	0.004	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	135.8	174.3	-177	177.6	-179.4	175.5	0	109.5	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.37Å; K30-E38 PolarHBondContact N-O 3.02Å; K30-E38 PolarHBondContact O-N 2.9Å; K30-I40 HydrophobicContact CB-CD1 4Å; K30-I40 HydrophobicContact CB-CG1 4.14Å; K30-F56 HydrophobicContact CB-CZ 4.44Å; K30-F56 HydrophobicContact CD-CE1 3.9Å; K30-F56 HydrophobicContact CD-CZ 4Å; K30-E81 WeakPolarHBondContact CE-O 3.05Å; K30-E81 PolarHBondContact NZ-O 2.84Å; K30-D82 IonicContact NZ-OD1 3.67Å; K30-D82 PolarHBondContact NZ-OD1 2.97Å; K30-A84 HydrophobicContact CD-CB 4.2Å; K30-A84 HydrophobicContact CG-CB 3.53Å; K30-Y86 HydrophobicContact CB-CD1 4.15Å; K30-Y86 HydrophobicContact CB-CE1 3.91Å; K30-Y86 HydrophobicContact CD-CE1 3.91Å; K30-Y86 WeakPolarHBondContact CE-OH 3.17Å; K30-Y86 HydrophobicContact CG-CD1 4.29Å; K30-Y86 HydrophobicContact CG-CE1 3.74Å
31	Q	95.6	Very high	93.4	Very high	74 Å²	74	46.9 Å²	46.9	35%	0.346	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	115.6	170.6	-168.1	-179	36.9	0	0	109.9	L37 A84 V85 F87	Q31-L37 HydrophobicContact CB-CD2 3.81Å; Q31-L37 HydrophobicContact CG-CD2 3.86Å; Q31-A84 WeakPolarHBondContact O-CA 3.33Å; Q31-A84 VanDerWaalsContact O-CB 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.3Å; Q31-V85 PolarHBondContact N-O 3.48Å; Q31-V85 PolarHBondContact O-N 2.92Å; Q31-F87 HydrophobicContact CB-CD2 4.33Å; Q31-F87 HydrophobicContact CB-CE2 3.75Å
32	R	93.2	Very high	93.7	Very high	67 Å²	67	51 Å²	51	25%	0.253	29%	0.291	S	S	.	.			trans	-87.7	147.9	172	-66	176.2	173.7	146.1	-20	110.2	G34 K35 E38 E81 A84	R32-G34 PolarHBondContact O-N 2.81Å; R32-K35 HydrophobicContact CB-CB 3.96Å; R32-K35 HydrophobicContact CB-CG 3.96Å; R32-K35 PolarHBondContact O-N 2.81Å; R32-E38 IonicContact CZ-OE2 3.99Å; R32-E38 IonicContact NE-OE2 2.75Å; R32-E38 IonicContact NH1-OE2 3.31Å; R32-E38 PolarHBondContact NH1-OE2 2.93Å; R32-E81 PolarHBondContact NE-O 3.45Å; R32-E81 PolarHBondContact NH2-O 2.84Å; R32-E81 IonicContact NH2-OE2 2.99Å; R32-A84 HydrophobicContact CG-CB 4.19Å
33	P	88.6	Confident	93.9	Very high	118 Å²	118	48.4 Å²	48.4	77%	0.766	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	128	173	-25.2	34.3	0	0	0	111.4	K35	P33-K35 PolarHBondContact O-N 2.8Å
34	G	89.4	Confident	94.2	Very high	89 Å²	89	48.3 Å²	48.3	92%	0.918	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	11.2	-179.6	0	0	0	0	0	115.6	R32	R32-G34 PolarHBondContact O-N 2.81Å
35	K	90.8	Very high	94.4	Very high	144 Å²	144	47.4 Å²	47.4	63%	0.626	26%	0.257	S	S	*	.	S	Bend	trans	-120.9	162	175	-59	-67.9	-176.6	-179.2	0	111.1	R32 P33	R32-K35 HydrophobicContact CB-CB 3.96Å; R32-K35 HydrophobicContact CB-CG 3.96Å; R32-K35 PolarHBondContact O-N 2.81Å; P33-K35 PolarHBondContact O-N 2.8Å
36	G	90.3	Very high	94.4	Very high	55 Å²	55	45.2 Å²	45.2	57%	0.567	26%	0.256	S	S	*	.			trans	-68.7	174.7	173	0	0	0	0	0	113.2
37	L	93.1	Very high	94.4	Very high	92 Å²	92	50.7 Å²	50.7	48%	0.482	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	129	173.9	-63.8	174.2	0	0	0	110.4	V29 Q31 W97	V29-L37 HydrophobicContact CG1-CB 3.79Å; V29-L37 HydrophobicContact CG1-CD2 3.95Å; V29-L37 HydrophobicContact CG1-CG 4.35Å; Q31-L37 HydrophobicContact CB-CD2 3.81Å; Q31-L37 HydrophobicContact CG-CD2 3.86Å; L37-W97 HydrophobicContact CD1-CH2 3.82Å; L37-W97 HydrophobicContact CD1-CZ2 4.31Å
38	E	95.1	Very high	94.3	Very high	36 Å²	36	52.1 Å²	52.1	17%	0.168	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	112	174.9	-63.4	-170.1	87.2	0	0	109.2	V29 K30 R32 I40 K55 F56	V29-E38 CarbonylContact C-O 3.59Å; V29-E38 WeakPolarHBondContact CA-O 3.06Å; K30-E38 HydrophobicContact CB-CB 4.37Å; K30-E38 PolarHBondContact N-O 3.02Å; K30-E38 PolarHBondContact O-N 2.9Å; R32-E38 IonicContact CZ-OE2 3.99Å; R32-E38 IonicContact NE-OE2 2.75Å; R32-E38 IonicContact NH1-OE2 3.31Å; R32-E38 PolarHBondContact NH1-OE2 2.93Å; E38-I40 PolarHBondContact O-N 3.19Å; E38-K55 IonicContact OE1-NZ 3.52Å; E38-F56 HydrophobicContact CB-CE2 4.39Å; E38-F56 HydrophobicContact CB-CZ 4.32Å
39	W	95.5	Very high	94.3	Very high	68 Å²	68	56.2 Å²	56.2	26%	0.258	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	127.3	175.4	-177.6	78.8	0	0	0	110.5	N27 G41 R42 N51 N53 L92	N27-W39 PolarHBondContact OD1-NE1 3.48Å; N27-W39 VanDerWaalsContact OD1-NE1 3.15Å; W39-G41 VanDerWaalsContact CZ2-CA 3.41Å; W39-G41 PolarHBondContact NE1-O 2.92Å; W39-R42 HydrophobicContact CZ2-CB 4.01Å; W39-R42 HydrophobicContact CZ2-CG 3.83Å; W39-N51 HydrophobicContact CH2-CB 4.39Å; W39-N51 WeakPolarHBondContact CH2-OD1 3.08Å; W39-N53 HydrophobicContact CE3-CB 3.78Å; W39-N53 HydrophobicContact CZ3-CB 3.99Å; W39-N53 WeakPolarHBondContact O-CB 3.25Å; W39-N53 PolarHBondContact O-ND2 2.75Å; W39-L92 VanDerWaalsContact CD1-CD1 3.48Å
40	I	96.8	Very high	94.3	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-48	-177.2	-60.3	174.2	0	0	0	110	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.14Å; W28-I40 HydrophobicContact CB-CD1 4.3Å; W28-I40 WeakPolarHBondContact O-CB 3.44Å; W28-I40 PolarHBondContact O-N 3.14Å; K30-I40 HydrophobicContact CB-CD1 4Å; K30-I40 HydrophobicContact CB-CG1 4.14Å; E38-I40 PolarHBondContact O-N 3.19Å; I40-N53 WeakPolarHBondContact O-CB 3.34Å; I40-N53 PolarHBondContact O-N 3.28Å; I40-F56 HydrophobicContact CB-CD2 4.27Å; I40-F56 HydrophobicContact CB-CG 4.2Å; I40-F56 HydrophobicContact CG1-CD1 4.14Å; I40-F56 HydrophobicContact CG1-CD2 4.25Å; I40-F56 HydrophobicContact CG1-CE1 4.07Å; I40-F56 HydrophobicContact CG1-CE2 4.17Å; I40-F56 HydrophobicContact CG1-CG 4.22Å; I40-F56 HydrophobicContact CG1-CZ 4.08Å; I40-F56 HydrophobicContact CG2-CB 3.72Å; I40-F56 HydrophobicContact CG2-CD1 4.08Å; I40-F56 HydrophobicContact CG2-CD2 4.33Å; I40-F56 HydrophobicContact CG2-CG 3.8Å; I40-A60 HydrophobicContact CG2-CB 3.75Å; I40-M73 HydrophobicContact CD1-CE 3.97Å; I40-M73 HydrophobicContact CD1-SD 3.52Å; I40-M73 VanDerWaalsContact CD1-SD 3.52Å; I40-M73 HydrophobicContact CG2-SD 4.03Å; I40-Y86 HydrophobicContact CD1-CD1 3.72Å; I40-Y86 HydrophobicContact CD1-CE1 3.85Å
41	G	96.7	Very high	94.3	Very high	0 Å²	0	62 Å²	62	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.5	-179.1	-172.5	0	0	0	0	0	111.7	N27 W28 W39 N51	N27-G41 CarbonylContact C-O 3.5Å; N27-G41 WeakPolarHBondContact CA-O 3.24Å; W28-G41 PolarHBondContact N-O 3.15Å; W39-G41 VanDerWaalsContact CZ2-CA 3.41Å; W39-G41 PolarHBondContact NE1-O 2.92Å; G41-N51 CarbonylContact C-O 3.53Å; G41-N51 WeakPolarHBondContact CA-O 3.3Å
42	R	96.5	Very high	94.4	Very high	90 Å²	90	61.1 Å²	61.1	34%	0.34	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	155.1	174	67.5	-177.3	-174.1	-169.7	-0.2	111.4	W25 M26 N27 W39 T50 N51	W25-R42 HydrophobicContact CD2-CG 4.23Å; W25-R42 HydrophobicContact CE3-CB 3.97Å; W25-R42 HydrophobicContact CE3-CG 3.42Å; W25-R42 VanDerWaalsContact CE3-CG 3.42Å; W25-R42 HydrophobicContact CZ3-CG 3.73Å; M26-R42 CarbonylContact O-C 3.52Å; M26-R42 WeakPolarHBondContact O-CA 3.37Å; M26-R42 WeakPolarHBondContact O-CB 3.41Å; N27-R42 HydrophobicContact CB-CB 4.46Å; N27-R42 WeakPolarHBondContact OD1-CB 3.18Å; W39-R42 HydrophobicContact CZ2-CB 4.01Å; W39-R42 HydrophobicContact CZ2-CG 3.83Å; R42-T50 WeakPolarHBondContact O-CA 3.42Å; R42-N51 HydrophobicContact CG-CB 4.16Å; R42-N51 PolarHBondContact N-O 3.4Å; R42-N51 PolarHBondContact O-N 3.02Å
43	I	97	Very high	94.5	Very high	5 Å²	5	60.3 Å²	60.3	3%	0.026	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	139.7	173.7	-177	165.3	0	0	0	110	M26 P45 D49 T50 L62 T63 A64 A71	M26-I43 HydrophobicContact CB-CG2 4.04Å; M26-I43 PolarHBondContact N-O 2.86Å; M26-I43 PolarHBondContact O-N 3.17Å; I43-P45 WeakPolarHBondContact O-CD 3.06Å; I43-D49 CarbonylContact C-O 3.56Å; I43-D49 VanDerWaalsContact CA-O 3.31Å; I43-D49 WeakPolarHBondContact CA-O 3.11Å; I43-T50 HydrophobicContact CB-CG2 3.99Å; I43-T50 HydrophobicContact CD1-CG2 3.97Å; I43-T50 HydrophobicContact CG1-CG2 3.82Å; I43-L62 HydrophobicContact CB-CB 4.08Å; I43-L62 HydrophobicContact CB-CD1 4.45Å; I43-L62 HydrophobicContact CD1-CB 4.37Å; I43-L62 HydrophobicContact CG2-CB 4.39Å; I43-T63 VanDerWaalsContact CD1-C 3.49Å; I43-A64 HydrophobicContact CD1-CB 3.9Å; I43-A71 HydrophobicContact CG2-CB 4.5Å
44	Y	95.8	Very high	94.7	Very high	61 Å²	61	57.6 Å²	57.6	24%	0.239	35%	0.346	C	S	.	.			trans	-98.5	108	168.3	-169.4	-110.9	0	0	0	108.5	S23 W25 G46 D47 G48 D49	S23-Y44 VanDerWaalsContact C-CE2 3.43Å; S23-Y44 WeakPolarHBondContact CA-OH 3.21Å; W25-Y44 AromaticContact CD2-CD2 3.97Å; W25-Y44 HydrophobicContact CD2-CD2 3.97Å; W25-Y44 HydrophobicContact CD2-CG 4.35Å; W25-Y44 AromaticContact CE2-CD2 3.86Å; W25-Y44 VanDerWaalsContact CE3-N 3.27Å; W25-Y44 HydrophobicContact CG-CD2 4.08Å; W25-Y44 HydrophobicContact CZ2-CD2 4.4Å; W25-Y44 HydrophobicContact CZ2-CG 4.25Å; W25-Y44 AromaticContact NE1-CD2 3.85Å; Y44-G46 PolarHBondContact O-N 2.98Å; Y44-G46 VanDerWaalsContact O-N 3.12Å; Y44-D47 WeakPolarHBondContact CD1-OD1 3.46Å; Y44-G48 VanDerWaalsContact O-CA 3.27Å; Y44-G48 WeakPolarHBondContact O-CA 3.25Å; Y44-G48 PolarHBondContact O-N 2.66Å; Y44-D49 PolarHBondContact N-O 2.99Å
45	P	95.1	Very high	94.8	Very high	5 Å²	5	60.6 Å²	60.6	3%	0.032	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-16.5	-173.1	-23.3	35.7	0	0	0	114.6	F21 S24 I43 A64 K66	F21-P45 HydrophobicContact CD1-CB 3.8Å; F21-P45 HydrophobicContact CD1-CG 4.03Å; F21-P45 HydrophobicContact CD2-CG 4.07Å; F21-P45 HydrophobicContact CE1-CB 3.44Å; F21-P45 VanDerWaalsContact CE1-CB 3.44Å; F21-P45 HydrophobicContact CE1-CG 3.61Å; F21-P45 HydrophobicContact CE2-CB 4.4Å; F21-P45 HydrophobicContact CE2-CG 3.63Å; F21-P45 HydrophobicContact CG-CB 4.45Å; F21-P45 HydrophobicContact CG-CG 4.27Å; F21-P45 HydrophobicContact CZ-CB 3.78Å; F21-P45 HydrophobicContact CZ-CG 3.39Å; F21-P45 WeakPolarHBondContact O-CG 3.39Å; S24-P45 WeakPolarHBondContact O-CD 3.41Å; I43-P45 WeakPolarHBondContact O-CD 3.06Å; P45-A64 HydrophobicContact CB-CB 3.75Å; P45-A64 HydrophobicContact CG-CB 4.06Å; P45-K66 VanDerWaalsContact O-CD 3.26Å; P45-K66 WeakPolarHBondContact O-CD 3.18Å; P45-K66 WeakPolarHBondContact O-CG 3.28Å
46	G	93.8	Very high	94.9	Very high	24 Å²	24	54.3 Å²	54.3	25%	0.247	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-55.4	-178.9	0	0	0	0	0	112.6	S22 Y44 K66	S22-G46 WeakPolarHBondContact O-CA 3.26Å; S22-G46 PolarHBondContact O-N 2.9Å; S22-G46 VanDerWaalsContact O-N 3.14Å; Y44-G46 PolarHBondContact O-N 2.98Å; Y44-G46 VanDerWaalsContact O-N 3.12Å; G46-K66 PolarHBondContact O-NZ 2.94Å
47	D	94.5	Very high	95	Very high	118 Å²	118	59.5 Å²	59.5	63%	0.631	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	-8.9	-177.7	57	19.9	0	0	0	113.7	Y44 D49	Y44-D47 WeakPolarHBondContact CD1-OD1 3.46Å; D47-D49 VanDerWaalsContact OD1-CB 3.3Å; D47-D49 WeakPolarHBondContact OD1-CB 3.39Å; D47-D49 PolarHBondContact OD1-N 2.87Å
48	G	94.4	Very high	94.9	Very high	41 Å²	41	58.5 Å²	58.5	42%	0.423	33%	0.325	S	S	.	.			trans	84.6	11.7	-178.7	0	0	0	0	0	114.2	Y44	Y44-G48 VanDerWaalsContact O-CA 3.27Å; Y44-G48 WeakPolarHBondContact O-CA 3.25Å; Y44-G48 PolarHBondContact O-N 2.66Å
49	D	96.1	Very high	94.8	Very high	89 Å²	89	58.6 Å²	58.6	48%	0.476	33%	0.325	S	S	.	.			trans	-60.1	139.3	176.8	-172.4	23.3	0	0	0	111	W25 I43 Y44 D47	W25-D49 HydrophobicContact CH2-CB 3.98Å; W25-D49 WeakPolarHBondContact CH2-OD2 3.46Å; W25-D49 WeakPolarHBondContact CZ3-O 3.28Å; I43-D49 CarbonylContact C-O 3.56Å; I43-D49 VanDerWaalsContact CA-O 3.31Å; I43-D49 WeakPolarHBondContact CA-O 3.11Å; Y44-D49 PolarHBondContact N-O 2.99Å; D47-D49 VanDerWaalsContact OD1-CB 3.3Å; D47-D49 WeakPolarHBondContact OD1-CB 3.39Å; D47-D49 PolarHBondContact OD1-N 2.87Å
50	T	97.1	Very high	94.9	Very high	50 Å²	50	55.5 Å²	55.5	31%	0.307	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	139.1	-176.4	55.3	0	0	0	0	111.6	R42 I43 Y52 L62	R42-T50 WeakPolarHBondContact O-CA 3.42Å; I43-T50 HydrophobicContact CB-CG2 3.99Å; I43-T50 HydrophobicContact CD1-CG2 3.97Å; I43-T50 HydrophobicContact CG1-CG2 3.82Å; T50-Y52 HydrophobicContact CG2-CE2 4.49Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.33Å; T50-L62 HydrophobicContact CG2-CB 4.13Å
51	N	96	Very high	94.9	Very high	76 Å²	76	58.8 Å²	58.8	41%	0.406	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	136.2	171.5	-175	-129.5	0	0	0	109.6	W39 G41 R42	W39-N51 HydrophobicContact CH2-CB 4.39Å; W39-N51 WeakPolarHBondContact CH2-OD1 3.08Å; G41-N51 CarbonylContact C-O 3.53Å; G41-N51 WeakPolarHBondContact CA-O 3.3Å; R42-N51 HydrophobicContact CG-CB 4.16Å; R42-N51 PolarHBondContact N-O 3.4Å; R42-N51 PolarHBondContact O-N 3.02Å
52	Y	96.7	Very high	95	Very high	56 Å²	56	59.1 Å²	59.1	22%	0.22	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	147.4	-174.5	-66.9	-90.6	0	0	0	110.6	T50 A60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.49Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.33Å; Y52-A60 HydrophobicContact CE1-CB 4.36Å; Y52-A60 WeakPolarHBondContact CE1-O 3.2Å; Y52-L62 HydrophobicContact CE1-CD1 4.04Å; Y52-L62 HydrophobicContact CE1-CG 3.69Å; Y52-L62 PolarHBondContact OH-N 3.04Å
53	N	95.4	Very high	95	Very high	49 Å²	49	57.8 Å²	57.8	26%	0.262	34%	0.337	S	S	.	.			trans	-70.1	134.8	158.1	-177.9	-23.2	0	0	0	108.9	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.78Å; W39-N53 HydrophobicContact CZ3-CB 3.99Å; W39-N53 WeakPolarHBondContact O-CB 3.25Å; W39-N53 PolarHBondContact O-ND2 2.75Å; I40-N53 WeakPolarHBondContact O-CB 3.34Å; I40-N53 PolarHBondContact O-N 3.28Å; N53-K55 PolarHBondContact O-N 3.32Å; N53-K55 PolarHBondContact OD1-N 2.83Å; N53-K55 VanDerWaalsContact OD1-N 3.17Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 2.93Å; N53-K57 PolarHBondContact O-N 3.18Å
54	G	93.3	Very high	95	Very high	62 Å²	62	59.2 Å²	59.2	64%	0.639	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-51.6	-33.9	-178.8	0	0	0	0	0	113.8	F56 K57	G54-F56 PolarHBondContact O-N 2.69Å; G54-K57 PolarHBondContact O-N 3.07Å
55	K	91.2	Very high	95	Very high	152 Å²	152	59 Å²	59	66%	0.661	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-62.4	-27.5	177.5	-66.6	-174.2	-178.2	-178.6	0	114.4	E38 N53	E38-K55 IonicContact OE1-NZ 3.52Å; N53-K55 PolarHBondContact O-N 3.32Å; N53-K55 PolarHBondContact OD1-N 2.83Å; N53-K55 VanDerWaalsContact OD1-N 3.17Å
56	F	93.4	Very high	95	Very high	11 Å²	11	64.5 Å²	64.5	5%	0.048	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-109.7	-1.9	-174.7	-62.5	-85.4	0	0	0	112.7	K30 E38 I40 N53 G54 G58 K59 A60	K30-F56 HydrophobicContact CB-CZ 4.44Å; K30-F56 HydrophobicContact CD-CE1 3.9Å; K30-F56 HydrophobicContact CD-CZ 4Å; E38-F56 HydrophobicContact CB-CE2 4.39Å; E38-F56 HydrophobicContact CB-CZ 4.32Å; I40-F56 HydrophobicContact CB-CD2 4.27Å; I40-F56 HydrophobicContact CB-CG 4.2Å; I40-F56 HydrophobicContact CG1-CD1 4.14Å; I40-F56 HydrophobicContact CG1-CD2 4.25Å; I40-F56 HydrophobicContact CG1-CE1 4.07Å; I40-F56 HydrophobicContact CG1-CE2 4.17Å; I40-F56 HydrophobicContact CG1-CG 4.22Å; I40-F56 HydrophobicContact CG1-CZ 4.08Å; I40-F56 HydrophobicContact CG2-CB 3.72Å; I40-F56 HydrophobicContact CG2-CD1 4.08Å; I40-F56 HydrophobicContact CG2-CD2 4.33Å; I40-F56 HydrophobicContact CG2-CG 3.8Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 2.93Å; G54-F56 PolarHBondContact O-N 2.69Å; F56-G58 PolarHBondContact O-N 2.79Å; F56-K59 PolarHBondContact O-N 2.92Å; F56-A60 HydrophobicContact CB-CB 4.43Å; F56-A60 PolarHBondContact O-N 3.17Å
57	K	91.5	Very high	94.9	Very high	165 Å²	165	68.6 Å²	68.6	72%	0.717	40%	0.401	S	S	*	.	B	Isolated β-bridge	trans	-62.4	124.5	175.7	-165.8	174.9	-175.9	179.7	0	109.2	N53 G54 K59	N53-K57 PolarHBondContact O-N 3.18Å; G54-K57 PolarHBondContact O-N 3.07Å; K57-K59 PolarHBondContact O-N 3.35Å
58	G	91.1	Very high	94.9	Very high	70 Å²	70	64.7 Å²	64.7	72%	0.722	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	-18.8	-175.2	0	0	0	0	0	114.9	F56	F56-G58 PolarHBondContact O-N 2.79Å
59	K	94.1	Very high	95	Very high	39 Å²	39	64.7 Å²	64.7	17%	0.17	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-40.1	173.9	-175.9	68.3	175.4	-166	0	112.3	F56 K57 L75 S76 S77 D82	F56-K59 PolarHBondContact O-N 2.92Å; K57-K59 PolarHBondContact O-N 3.35Å; K59-L75 WeakPolarHBondContact O-CA 3.43Å; K59-S76 VanDerWaalsContact CD-O 3.25Å; K59-S76 WeakPolarHBondContact CD-O 3.48Å; K59-S76 WeakPolarHBondContact CE-O 3.26Å; K59-S76 PolarHBondContact NZ-O 2.84Å; K59-S76 PolarHBondContact O-N 3.2Å; K59-S76 VanDerWaalsContact O-N 3.07Å; K59-S76 PolarHBondContact O-OG 3.35Å; K59-S77 PolarHBondContact NZ-O 3.01Å; K59-D82 WeakPolarHBondContact CE-OD2 3.16Å; K59-D82 IonicContact NZ-OD2 3.7Å; K59-D82 PolarHBondContact NZ-OD2 2.83Å
60	A	96.6	Very high	95	Very high	3 Å²	3	60.9 Å²	60.9	3%	0.025	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	138.1	-179.5	0	0	0	0	0	110.8	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.75Å; Y52-A60 HydrophobicContact CE1-CB 4.36Å; Y52-A60 WeakPolarHBondContact CE1-O 3.2Å; F56-A60 HydrophobicContact CB-CB 4.43Å; F56-A60 PolarHBondContact O-N 3.17Å; A60-M73 HydrophobicContact CB-CG 4.37Å; A60-Q74 CarbonylContact C-O 3.59Å; A60-Q74 WeakPolarHBondContact CA-O 3.3Å; A60-L75 HydrophobicContact CB-CD2 3.88Å
61	T	97.6	Very high	95	Very high	68 Å²	68	58.5 Å²	58.5	42%	0.417	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	119.5	169.3	-59.1	0	0	0	0	108.7	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.39Å; T61-M73 WeakPolarHBondContact O-CA 3.15Å; T61-Q74 PolarHBondContact N-O 3.12Å; T61-Q74 PolarHBondContact O-N 2.84Å
62	L	97.8	Very high	95	Very high	8 Å²	8	57.3 Å²	57.3	4%	0.042	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	132.5	178.6	-52.8	-176.4	0	0	0	110.3	W28 I43 T50 Y52 Y72 M73	W28-L62 VanDerWaalsContact CD1-CD2 3.47Å; W28-L62 HydrophobicContact CG-CD2 3.97Å; I43-L62 HydrophobicContact CB-CB 4.08Å; I43-L62 HydrophobicContact CB-CD1 4.45Å; I43-L62 HydrophobicContact CD1-CB 4.37Å; I43-L62 HydrophobicContact CG2-CB 4.39Å; T50-L62 HydrophobicContact CG2-CB 4.13Å; Y52-L62 HydrophobicContact CE1-CD1 4.04Å; Y52-L62 HydrophobicContact CE1-CG 3.69Å; Y52-L62 PolarHBondContact OH-N 3.04Å; L62-Y72 WeakPolarHBondContact CA-O 3.44Å; L62-M73 HydrophobicContact CD2-CB 3.7Å; L62-M73 HydrophobicContact CD2-CG 3.67Å; L62-M73 HydrophobicContact CD2-SD 4.27Å
63	T	97.4	Very high	95.1	Very high	61 Å²	61	54.6 Å²	54.6	37%	0.374	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	162.2	175.2	54.4	0	0	0	0	109.9	I43 T61 Y72	I43-T63 VanDerWaalsContact CD1-C 3.49Å; T61-T63 HydrophobicContact CG2-CG2 4.39Å; T63-Y72 PolarHBondContact N-O 2.87Å; T63-Y72 PolarHBondContact O-N 3.32Å
64	A	96.9	Very high	95.2	Very high	35 Å²	35	56.5 Å²	56.5	29%	0.289	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	140.8	177.6	0	0	0	0	0	110.8	F21 I43 P45	F21-A64 HydrophobicContact CE1-CB 4.1Å; F21-A64 HydrophobicContact CZ-CB 3.99Å; I43-A64 HydrophobicContact CD1-CB 3.9Å; P45-A64 HydrophobicContact CB-CB 3.75Å; P45-A64 HydrophobicContact CG-CB 4.06Å
65	D	95.8	Very high	95.3	Very high	56 Å²	56	53.6 Å²	53.6	30%	0.299	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	110.8	170.6	174.6	10.3	0	0	0	109.1	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.32Å; D65-S67 WeakPolarHBondContact OD1-CB 3.48Å; D65-S67 PolarHBondContact OD1-N 2.87Å; D65-S67 PolarHBondContact OD1-OG 2.88Å; D65-S67 PolarHBondContact OD2-OG 3.46Å; D65-S68 WeakPolarHBondContact CB-OG 3.49Å; D65-S68 WeakPolarHBondContact OD2-CB 3.2Å; D65-S68 PolarHBondContact OD2-OG 2.87Å; D65-S69 WeakPolarHBondContact O-CA 3.47Å; D65-S69 PolarHBondContact O-N 2.78Å; D65-S69 VanDerWaalsContact O-N 3.09Å; D65-T70 PolarHBondContact N-O 2.85Å; D65-T70 PolarHBondContact O-N 2.95Å; D65-Y72 HydrophobicContact CB-CE2 3.96Å
66	K	93.6	Very high	95.5	Very high	121 Å²	121	48 Å²	48	53%	0.526	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-34.6	-180	-72	-177.8	-88.8	-163.3	0	112.1	P45 G46 S69	P45-K66 VanDerWaalsContact O-CD 3.26Å; P45-K66 WeakPolarHBondContact O-CD 3.18Å; P45-K66 WeakPolarHBondContact O-CG 3.28Å; G46-K66 PolarHBondContact O-NZ 2.94Å; K66-S69 PolarHBondContact O-N 2.81Å
67	S	92.4	Very high	95.5	Very high	110 Å²	110	51.1 Å²	51.1	77%	0.769	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-40.2	-175.4	71.2	0	0	0	0	111.8	D65	D65-S67 VanDerWaalsContact C-N 3.32Å; D65-S67 WeakPolarHBondContact OD1-CB 3.48Å; D65-S67 PolarHBondContact OD1-N 2.87Å; D65-S67 PolarHBondContact OD1-OG 2.88Å; D65-S67 PolarHBondContact OD2-OG 3.46Å
68	S	94.9	Very high	95.7	Very high	37 Å²	37	43.3 Å²	43.3	26%	0.259	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	1	177.8	64.1	0	0	0	0	113.7	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3.49Å; D65-S68 WeakPolarHBondContact OD2-CB 3.2Å; D65-S68 PolarHBondContact OD2-OG 2.87Å; S68-T70 PolarHBondContact O-N 2.96Å; S68-T70 PolarHBondContact O-OG1 2.83Å; S68-T70 WeakPolarHBondContact OG-CB 3.01Å; S68-T70 PolarHBondContact OG-OG1 2.93Å
69	S	95.3	Very high	95.8	Very high	40 Å²	40	42.9 Å²	42.9	28%	0.28	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	41.5	-172.7	-63.4	0	0	0	0	112.9	A16 F21 D65 K66	A16-S69 WeakPolarHBondContact CB-O 3.46Å; A16-S69 PolarHBondContact N-O 3.07Å; F21-S69 VanDerWaalsContact CD1-CA 3.49Å; D65-S69 WeakPolarHBondContact O-CA 3.47Å; D65-S69 PolarHBondContact O-N 2.78Å; D65-S69 VanDerWaalsContact O-N 3.09Å; K66-S69 PolarHBondContact O-N 2.81Å
70	T	96.6	Very high	95.7	Very high	10 Å²	10	45.1 Å²	45.1	6%	0.061	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	124.9	-173.3	-57.6	0	0	0	0	110.8	C14 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.52Å; C14-T70 WeakPolarHBondContact O-CA 3.28Å; D65-T70 PolarHBondContact N-O 2.85Å; D65-T70 PolarHBondContact O-N 2.95Å; S68-T70 PolarHBondContact O-N 2.96Å; S68-T70 PolarHBondContact O-OG1 2.83Å; S68-T70 WeakPolarHBondContact OG-CB 3.01Å; S68-T70 PolarHBondContact OG-OG1 2.93Å; T70-Y72 HydrophobicContact CG2-CD1 4.2Å; T70-Y72 HydrophobicContact CG2-CD2 4.46Å; T70-Y72 HydrophobicContact CG2-CE1 3.57Å; T70-Y72 HydrophobicContact CG2-CE2 3.86Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.47Å; T70-Y72 WeakPolarHBondContact O-CE2 2.98Å
71	A	96.9	Very high	95.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	150.8	168.4	0	0	0	0	0	109.9	S13 C14 F21 M26 W28 I43	S13-A71 CarbonylContact C-O 3.5Å; S13-A71 WeakPolarHBondContact CA-O 3.24Å; C14-A71 PolarHBondContact N-O 2.86Å; C14-A71 PolarHBondContact O-N 2.99Å; F21-A71 HydrophobicContact CE2-CB 4.11Å; F21-A71 HydrophobicContact CZ-CB 3.92Å; M26-A71 HydrophobicContact CB-CB 4.15Å; M26-A71 HydrophobicContact CE-CB 4.47Å; M26-A71 HydrophobicContact CG-CB 3.69Å; W28-A71 HydrophobicContact CZ2-CB 4.14Å; I43-A71 HydrophobicContact CG2-CB 4.5Å
72	Y	97.4	Very high	95.3	Very high	50 Å²	50	48.4 Å²	48.4	20%	0.196	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	143.4	177.5	-54.2	-86	0	0	0	110.9	K11 I12 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.3Å; K11-Y72 VanDerWaalsContact CE-CB 3.44Å; K11-Y72 HydrophobicContact CG-CD1 4.26Å; I12-Y72 CarbonylContact O-C 3.52Å; I12-Y72 VanDerWaalsContact O-CA 3.24Å; I12-Y72 WeakPolarHBondContact O-CA 3.11Å; L62-Y72 WeakPolarHBondContact CA-O 3.44Å; T63-Y72 PolarHBondContact N-O 2.87Å; T63-Y72 PolarHBondContact O-N 3.32Å; D65-Y72 HydrophobicContact CB-CE2 3.96Å; T70-Y72 HydrophobicContact CG2-CD1 4.2Å; T70-Y72 HydrophobicContact CG2-CD2 4.46Å; T70-Y72 HydrophobicContact CG2-CE1 3.57Å; T70-Y72 HydrophobicContact CG2-CE2 3.86Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.47Å; T70-Y72 WeakPolarHBondContact O-CE2 2.98Å
73	M	97.6	Very high	95.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	118.7	167.8	174.4	178.4	72.4	0	0	108.5	I12 W28 I40 A60 T61 L62 L75 Y86	I12-M73 HydrophobicContact CD1-CE 3.72Å; I12-M73 PolarHBondContact N-O 2.8Å; I12-M73 PolarHBondContact O-N 2.99Å; W28-M73 HydrophobicContact CB-SD 3.87Å; W28-M73 HydrophobicContact CD2-CB 3.62Å; W28-M73 HydrophobicContact CD2-CE 4.4Å; W28-M73 HydrophobicContact CD2-CG 4.41Å; W28-M73 HydrophobicContact CD2-SD 4.03Å; W28-M73 HydrophobicContact CE3-CB 3.81Å; W28-M73 HydrophobicContact CE3-CE 3.76Å; W28-M73 HydrophobicContact CE3-SD 3.99Å; W28-M73 HydrophobicContact CG-CB 4.17Å; W28-M73 HydrophobicContact CG-SD 4.01Å; W28-M73 HydrophobicContact CH2-CB 4.03Å; W28-M73 HydrophobicContact CZ2-CB 3.87Å; W28-M73 HydrophobicContact CZ3-CB 4.02Å; W28-M73 HydrophobicContact CZ3-CE 4.23Å; I40-M73 HydrophobicContact CD1-CE 3.97Å; I40-M73 HydrophobicContact CD1-SD 3.52Å; I40-M73 VanDerWaalsContact CD1-SD 3.52Å; I40-M73 HydrophobicContact CG2-SD 4.03Å; A60-M73 HydrophobicContact CB-CG 4.37Å; T61-M73 WeakPolarHBondContact O-CA 3.15Å; L62-M73 HydrophobicContact CD2-CB 3.7Å; L62-M73 HydrophobicContact CD2-CG 3.67Å; L62-M73 HydrophobicContact CD2-SD 4.27Å; M73-L75 HydrophobicContact CE-CD1 4.03Å; M73-L75 HydrophobicContact CE-CD2 4.38Å; M73-L75 HydrophobicContact CE-CG 4.15Å; M73-L75 HydrophobicContact CG-CD2 4.35Å; M73-L75 HydrophobicContact CG-CG 4.35Å; M73-L75 HydrophobicContact SD-CD2 4.2Å; M73-L75 HydrophobicContact SD-CG 4.48Å; M73-Y86 HydrophobicContact CE-CD1 3.44Å; M73-Y86 VanDerWaalsContact CE-CD1 3.44Å; M73-Y86 HydrophobicContact CE-CE1 4.08Å; M73-Y86 HydrophobicContact CE-CG 3.98Å
74	Q	97.1	Very high	95.1	Very high	88 Å²	88	47 Å²	47	41%	0.411	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	123.3	171.3	-175.8	173.6	-4	0	0	109.2	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.6Å; V10-Q74 VanDerWaalsContact O-CA 3.26Å; V10-Q74 WeakPolarHBondContact O-CA 3.37Å; A60-Q74 CarbonylContact C-O 3.59Å; A60-Q74 WeakPolarHBondContact CA-O 3.3Å; T61-Q74 PolarHBondContact N-O 3.12Å; T61-Q74 PolarHBondContact O-N 2.84Å
75	L	96.1	Very high	95.1	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	128.3	172	-63.9	169.3	0	0	0	108.6	S9 V10 I12 K59 A60 M73 L78 Y86 L103	S9-L75 CarbonylContact C-O 3.35Å; S9-L75 WeakPolarHBondContact CA-O 3.43Å; S9-L75 WeakPolarHBondContact CB-O 3.31Å; V10-L75 HydrophobicContact CG1-CB 4Å; V10-L75 HydrophobicContact CG1-CD1 4.26Å; V10-L75 PolarHBondContact N-O 2.02Å; V10-L75 PolarHBondContact O-N 2.76Å; I12-L75 HydrophobicContact CD1-CD1 4.27Å; K59-L75 WeakPolarHBondContact O-CA 3.43Å; A60-L75 HydrophobicContact CB-CD2 3.88Å; M73-L75 HydrophobicContact CE-CD1 4.03Å; M73-L75 HydrophobicContact CE-CD2 4.38Å; M73-L75 HydrophobicContact CE-CG 4.15Å; M73-L75 HydrophobicContact CG-CD2 4.35Å; M73-L75 HydrophobicContact CG-CG 4.35Å; M73-L75 HydrophobicContact SD-CD2 4.2Å; M73-L75 HydrophobicContact SD-CG 4.48Å; L75-L78 HydrophobicContact CB-CD2 3.71Å; L75-L78 HydrophobicContact CD1-CD2 4.21Å; L75-Y86 HydrophobicContact CD1-CD1 4.26Å; L75-Y86 HydrophobicContact CD1-CE1 3.62Å; L75-Y86 HydrophobicContact CD1-CE2 4.16Å; L75-L103 HydrophobicContact CD1-CD2 4.14Å
76	S	94.8	Very high	95.1	Very high	34 Å²	34	44.5 Å²	44.5	24%	0.238	26%	0.259	C	S	.	.			trans	-104.1	158.3	-179.6	56.9	0	0	0	0	112.5	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.41Å; K59-S76 VanDerWaalsContact CD-O 3.25Å; K59-S76 WeakPolarHBondContact CD-O 3.48Å; K59-S76 WeakPolarHBondContact CE-O 3.26Å; K59-S76 PolarHBondContact NZ-O 2.84Å; K59-S76 PolarHBondContact O-N 3.2Å; K59-S76 VanDerWaalsContact O-N 3.07Å; K59-S76 PolarHBondContact O-OG 3.35Å; S76-L78 VanDerWaalsContact C-N 3.31Å; S76-L78 PolarHBondContact O-N 2.91Å
77	S	94.3	Very high	95.2	Very high	78 Å²	78	40.3 Å²	40.3	55%	0.545	24%	0.241	S	C	.	.	S	Bend	trans	48.9	49.6	171.1	-55.9	0	0	0	0	113	A8 K59	A8-S77 PolarHBondContact O-N 3.27Å; K59-S77 PolarHBondContact NZ-O 3.01Å
78	L	94.5	Very high	95.4	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	21%	0.209	C	C	.	.			trans	-58.4	143.9	-170.8	-72	172.8	0	0	0	112.9	V4 P6 G7 A8 V10 L75 S76 D82 L103 V105	V4-L78 HydrophobicContact CB-CD1 4.44Å; V4-L78 HydrophobicContact CG2-CD1 3.5Å; V4-L78 VanDerWaalsContact CG2-CD1 3.5Å; P6-L78 CarbonylContact C-O 3.59Å; P6-L78 WeakPolarHBondContact CA-O 3.24Å; G7-L78 PolarHBondContact N-O 2.83Å; A8-L78 WeakPolarHBondContact O-CB 3.25Å; A8-L78 VanDerWaalsContact O-CG 3.3Å; A8-L78 WeakPolarHBondContact O-CG 3.23Å; A8-L78 PolarHBondContact O-N 2.88Å; V10-L78 HydrophobicContact CB-CD1 4.07Å; V10-L78 HydrophobicContact CG1-CD1 3.76Å; V10-L78 HydrophobicContact CG1-CD2 4.46Å; L75-L78 HydrophobicContact CB-CD2 3.71Å; L75-L78 HydrophobicContact CD1-CD2 4.21Å; S76-L78 VanDerWaalsContact C-N 3.31Å; S76-L78 PolarHBondContact O-N 2.91Å; L78-D82 HydrophobicContact CD2-CB 3.66Å; L78-L103 HydrophobicContact CD1-CD2 4.17Å; L78-L103 HydrophobicContact CD2-CD2 4.05Å; L78-V105 HydrophobicContact CB-CG1 4.1Å; L78-V105 HydrophobicContact CB-CG2 4.03Å; L78-V105 HydrophobicContact CD1-CG2 4.28Å
79	T	94.1	Very high	95.3	Very high	60 Å²	60	34 Å²	34	37%	0.368	20%	0.197	S	C	.	.			trans	-123.2	166.1	177.2	63.5	0	0	0	0	109.8	E81 D82 V105	T79-E81 PolarHBondContact O-N 2.9Å; T79-E81 VanDerWaalsContact O-N 3.13Å; T79-D82 PolarHBondContact N-OD2 3.16Å; T79-D82 VanDerWaalsContact O-CB 3.3Å; T79-D82 WeakPolarHBondContact O-CB 3.48Å; T79-D82 PolarHBondContact O-N 2.86Å; T79-D82 PolarHBondContact OG1-OD2 2.87Å; T79-V105 VanDerWaalsContact O-CB 3.28Å; T79-V105 WeakPolarHBondContact O-CB 3.4Å; T79-V105 WeakPolarHBondContact O-CG1 3.41Å; T79-V105 WeakPolarHBondContact O-CG2 3.04Å
80	S	92.1	Very high	95	Very high	86 Å²	86	34.6 Å²	34.6	60%	0.601	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-54.2	-32.5	175	52.2	0	0	0	0	112.5	D82 S83	S80-D82 PolarHBondContact O-N 3.44Å; S80-S83 VanDerWaalsContact O-CB 3.28Å; S80-S83 WeakPolarHBondContact O-CB 3.42Å; S80-S83 PolarHBondContact O-N 2.84Å; S80-S83 VanDerWaalsContact O-N 3.09Å; S80-S83 PolarHBondContact O-OG 3.14Å
81	E	91	Very high	94.2	Very high	130 Å²	130	38.8 Å²	38.8	61%	0.607	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-66.7	-14.4	176.3	-62.7	-167.3	-173.9	0	0	114.8	K30 R32 T79 S83	K30-E81 WeakPolarHBondContact CE-O 3.05Å; K30-E81 PolarHBondContact NZ-O 2.84Å; R32-E81 PolarHBondContact NE-O 3.45Å; R32-E81 PolarHBondContact NH2-O 2.84Å; R32-E81 IonicContact NH2-OE2 2.99Å; T79-E81 PolarHBondContact O-N 2.9Å; T79-E81 VanDerWaalsContact O-N 3.13Å; E81-S83 VanDerWaalsContact C-N 3.29Å
82	D	93.9	Very high	93.2	Very high	10 Å²	10	42 Å²	42	5%	0.053	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-84	-5.6	174.6	-61.9	-50.8	0	0	0	112.9	K30 K59 L78 T79 S80 A84 Y86 V105	K30-D82 IonicContact NZ-OD1 3.67Å; K30-D82 PolarHBondContact NZ-OD1 2.97Å; K59-D82 WeakPolarHBondContact CE-OD2 3.16Å; K59-D82 IonicContact NZ-OD2 3.7Å; K59-D82 PolarHBondContact NZ-OD2 2.83Å; L78-D82 HydrophobicContact CD2-CB 3.66Å; T79-D82 PolarHBondContact N-OD2 3.16Å; T79-D82 VanDerWaalsContact O-CB 3.3Å; T79-D82 WeakPolarHBondContact O-CB 3.48Å; T79-D82 PolarHBondContact O-N 2.86Å; T79-D82 PolarHBondContact OG1-OD2 2.87Å; S80-D82 PolarHBondContact O-N 3.44Å; D82-A84 PolarHBondContact O-N 2.8Å; D82-Y86 WeakPolarHBondContact O-CE2 3.5Å; D82-Y86 PolarHBondContact O-OH 3.12Å; D82-V105 HydrophobicContact CB-CG2 4.17Å
83	S	95.3	Very high	91.4	Very high	35 Å²	35	44.8 Å²	44.8	25%	0.245	25%	0.253	C	S	.	.			trans	-65.3	114.7	171.4	-54.7	0	0	0	0	110.6	S80 E81 L103 V105	S80-S83 VanDerWaalsContact O-CB 3.28Å; S80-S83 WeakPolarHBondContact O-CB 3.42Å; S80-S83 PolarHBondContact O-N 2.84Å; S80-S83 VanDerWaalsContact O-N 3.09Å; S80-S83 PolarHBondContact O-OG 3.14Å; E81-S83 VanDerWaalsContact C-N 3.29Å; S83-L103 CarbonylContact C-O 3.57Å; S83-L103 VanDerWaalsContact CA-O 3.26Å; S83-L103 WeakPolarHBondContact CA-O 3.46Å; S83-V105 PolarHBondContact OG-N 2.81Å; S83-V105 PolarHBondContact OG-O 2.77Å
84	A	96.3	Very high	90	Very high	5 Å²	5	56.6 Å²	56.6	4%	0.041	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.6	172	-172.7	0	0	0	0	0	110.7	K30 Q31 R32 D82 Y86 L103	K30-A84 HydrophobicContact CD-CB 4.2Å; K30-A84 HydrophobicContact CG-CB 3.53Å; Q31-A84 WeakPolarHBondContact O-CA 3.33Å; Q31-A84 VanDerWaalsContact O-CB 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.3Å; R32-A84 HydrophobicContact CG-CB 4.19Å; D82-A84 PolarHBondContact O-N 2.8Å; A84-Y86 HydrophobicContact CB-CD2 4.41Å; A84-Y86 HydrophobicContact CB-CE2 3.85Å; A84-L103 PolarHBondContact N-O 3.38Å; A84-L103 PolarHBondContact O-N 2.95Å
85	V	96.8	Very high	89.1	Confident	37 Å²	37	53.2 Å²	53.2	22%	0.224	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	129.3	161.3	-169.5	0	0	0	0	108.4	Q31 F87	Q31-V85 PolarHBondContact N-O 3.48Å; Q31-V85 PolarHBondContact O-N 2.92Å; V85-F87 HydrophobicContact CB-CE2 3.75Å; V85-F87 HydrophobicContact CB-CZ 3.92Å; V85-F87 HydrophobicContact CG1-CD2 4.24Å; V85-F87 HydrophobicContact CG1-CE1 3.85Å; V85-F87 HydrophobicContact CG1-CE2 3.54Å; V85-F87 HydrophobicContact CG1-CZ 3.31Å
86	Y	96.9	Very high	88.7	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.008	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	126.8	178.8	-68.9	-89	0	0	0	109.9	I12 V29 K30 I40 M73 L75 D82 A84 G100 T101 L103	I12-Y86 HydrophobicContact CD1-CD1 4.46Å; I12-Y86 HydrophobicContact CD1-CD2 3.93Å; I12-Y86 HydrophobicContact CD1-CG 3.8Å; V29-Y86 CarbonylContact O-C 3.57Å; V29-Y86 WeakPolarHBondContact O-CA 3.39Å; K30-Y86 HydrophobicContact CB-CD1 4.15Å; K30-Y86 HydrophobicContact CB-CE1 3.91Å; K30-Y86 HydrophobicContact CD-CE1 3.91Å; K30-Y86 WeakPolarHBondContact CE-OH 3.17Å; K30-Y86 HydrophobicContact CG-CD1 4.29Å; K30-Y86 HydrophobicContact CG-CE1 3.74Å; I40-Y86 HydrophobicContact CD1-CD1 3.72Å; I40-Y86 HydrophobicContact CD1-CE1 3.85Å; M73-Y86 HydrophobicContact CE-CD1 3.44Å; M73-Y86 VanDerWaalsContact CE-CD1 3.44Å; M73-Y86 HydrophobicContact CE-CE1 4.08Å; M73-Y86 HydrophobicContact CE-CG 3.98Å; L75-Y86 HydrophobicContact CD1-CD1 4.26Å; L75-Y86 HydrophobicContact CD1-CE1 3.62Å; L75-Y86 HydrophobicContact CD1-CE2 4.16Å; D82-Y86 WeakPolarHBondContact O-CE2 3.5Å; D82-Y86 PolarHBondContact O-OH 3.12Å; A84-Y86 HydrophobicContact CB-CD2 4.41Å; A84-Y86 HydrophobicContact CB-CE2 3.85Å; Y86-G100 CarbonylContact O-C 3.55Å; Y86-G100 VanDerWaalsContact O-CA 3.25Å; Y86-G100 WeakPolarHBondContact O-CA 3.46Å; Y86-T101 PolarHBondContact N-O 3.31Å; Y86-T101 PolarHBondContact O-N 3Å; Y86-L103 HydrophobicContact CD2-CB 3.9Å; Y86-L103 HydrophobicContact CD2-CD2 4.34Å; Y86-L103 HydrophobicContact CE2-CB 3.76Å; Y86-L103 HydrophobicContact CE2-CD2 3.67Å; Y86-L103 HydrophobicContact CE2-CG 4.34Å
87	F	96	Very high	88.6	Confident	32 Å²	32	63.8 Å²	63.8	14%	0.14	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	147.9	-178.8	-59	-87.5	0	0	0	110.6	W28 V29 Q31 V85 W97	W28-F87 WeakPolarHBondContact CA-O 3.44Å; V29-F87 HydrophobicContact CB-CB 4.49Å; V29-F87 PolarHBondContact N-O 3.22Å; V29-F87 PolarHBondContact O-N 2.92Å; Q31-F87 HydrophobicContact CB-CD2 4.33Å; Q31-F87 HydrophobicContact CB-CE2 3.75Å; V85-F87 HydrophobicContact CB-CE2 3.75Å; V85-F87 HydrophobicContact CB-CZ 3.92Å; V85-F87 HydrophobicContact CG1-CD2 4.24Å; V85-F87 HydrophobicContact CG1-CE1 3.85Å; V85-F87 HydrophobicContact CG1-CE2 3.54Å; V85-F87 HydrophobicContact CG1-CZ 3.31Å; F87-W97 HydrophobicContact CB-CE3 3.75Å; F87-W97 HydrophobicContact CB-CZ3 3.9Å; F87-W97 HydrophobicContact CG-CE3 4.22Å; F87-W97 HydrophobicContact CG-CZ3 4.41Å
88	C	95.3	Very high	88.5	Confident	14 Å²	14	61.3 Å²	61.3	10%	0.095	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	149	160.8	60.5	0	0	0	0	110	C14 M26 N27 W28 G98	C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.26Å; C14-C88 WeakPolarHBondContact SG-CB 3.48Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.87Å; M26-C88 HydrophobicContact CG-CB 4.38Å; M26-C88 HydrophobicContact SD-CB 3.75Å; N27-C88 CarbonylContact O-C 3.54Å; N27-C88 WeakPolarHBondContact O-CA 2.98Å; W28-C88 HydrophobicContact CD2-CB 4.49Å; W28-C88 HydrophobicContact CE3-CB 4.28Å; W28-C88 HydrophobicContact CH2-CB 4.4Å; W28-C88 HydrophobicContact CZ3-CB 4.24Å; C88-G98 PolarHBondContact O-N 3.03Å
89	A	94	Very high	88.3	Confident	1 Å²	1	70.2 Å²	70.2	1%	0.008	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	138.6	177.7	0	0	0	0	0	112.5	N27 L92 Y96 W97	N27-A89 WeakPolarHBondContact CA-O 3.41Å; N27-A89 HydrophobicContact CB-CB 4.46Å; N27-A89 VanDerWaalsContact CB-O 3.28Å; N27-A89 WeakPolarHBondContact CB-O 3.35Å; N27-A89 PolarHBondContact N-O 3.46Å; N27-A89 PolarHBondContact ND2-O 3.4Å; N27-A89 PolarHBondContact O-N 3.06Å; A89-L92 HydrophobicContact CB-CD2 3.75Å; A89-L92 HydrophobicContact CB-CG 4.4Å; A89-Y96 CarbonylContact C-O 3.55Å; A89-Y96 WeakPolarHBondContact CA-O 3.46Å; A89-W97 HydrophobicContact CB-CD2 3.81Å; A89-W97 HydrophobicContact CB-CE3 3.87Å; A89-W97 HydrophobicContact CB-CG 4.27Å; A89-W97 HydrophobicContact CB-CZ3 4.23Å
90	R	88.4	Confident	88.3	Confident	53 Å²	53	68.7 Å²	68.7	20%	0.2	35%	0.347	C	S	.	.	S	Bend	trans	-74	-48.4	177.6	-168.6	-177	83.5	-164.9	7	112	Y19 W25 N27 Y96	Y19-R90 HydrophobicContact CE2-CG 4.16Å; W25-R90 WeakPolarHBondContact O-CA 3.27Å; W25-R90 VanDerWaalsContact O-O 3.06Å; N27-R90 PolarHBondContact ND2-O 3.27Å; N27-R90 VanDerWaalsContact ND2-O 3.17Å; R90-Y96 PolarHBondContact N-O 3.21Å
91	E	79.6	Confident	88.5	Confident	98 Å²	98	67 Å²	67	46%	0.458	33%	0.333	S	S	.	.	S	Bend	trans	-131	134.1	-176.4	-74.9	160.6	-141.3	0	0	108.9	G95	E91-G95 WeakPolarHBondContact O-CA 3.26Å; E91-G95 PolarHBondContact O-N 2.97Å
92	L	75.3	Confident	88.7	Confident	66 Å²	66	63.5 Å²	63.5	35%	0.346	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	145.3	176.1	-67.6	177.9	0	0	0	109.5	N27 V29 W39 A89 W97	N27-L92 HydrophobicContact CB-CD1 3.8Å; N27-L92 HydrophobicContact CB-CG 4.2Å; V29-L92 HydrophobicContact CG2-CD1 4.14Å; V29-L92 HydrophobicContact CG2-CD2 4.42Å; W39-L92 VanDerWaalsContact CD1-CD1 3.48Å; A89-L92 HydrophobicContact CB-CD2 3.75Å; A89-L92 HydrophobicContact CB-CG 4.4Å; L92-W97 HydrophobicContact CD2-CH2 3.34Å; L92-W97 HydrophobicContact CD2-CZ2 3.12Å; L92-W97 HydrophobicContact CD2-CZ3 4.23Å
93	P	60.5	Low	88.8	Confident	110 Å²	110	63.1 Å²	63.1	71%	0.714	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	cis	-93.9	-16.4	2.3	33.8	-32.7	0	0	0	115.1	W97	P93-W97 PolarHBondContact O-NE1 2.78Å
94	R	68.8	Low	88.7	Confident	247 Å²	247	64.2 Å²	64.2	93%	0.932	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	13.8	-173.9	-72.1	-172.9	175	147.2	-1.1	114.9
95	G	77.8	Confident	88.6	Confident	18 Å²	18	64.2 Å²	64.2	19%	0.186	32%	0.323	C	S	.	.	S	Bend	trans	-82.2	-162.7	-177.6	0	0	0	0	0	114.3	E91	E91-G95 WeakPolarHBondContact O-CA 3.26Å; E91-G95 PolarHBondContact O-N 2.97Å
96	Y	87.4	Confident	88.3	Confident	162 Å²	162	64.4 Å²	64.4	64%	0.635	33%	0.326	S	S	*	.			trans	-79.4	126	-179.4	-60.9	-85.4	0	0	0	111.5	A89 R90	A89-Y96 CarbonylContact C-O 3.55Å; A89-Y96 WeakPolarHBondContact CA-O 3.46Å; R90-Y96 PolarHBondContact N-O 3.21Å
97	W	91.9	Very high	87.4	Confident	94 Å²	94	69.4 Å²	69.4	36%	0.356	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-110.1	143.7	178.5	-66.7	80.6	0	0	0	111	V29 L37 F87 A89 L92 P93	V29-W97 HydrophobicContact CB-CH2 4.33Å; V29-W97 HydrophobicContact CB-CZ3 3.92Å; V29-W97 HydrophobicContact CG1-CH2 4.24Å; V29-W97 HydrophobicContact CG1-CZ3 4.12Å; V29-W97 HydrophobicContact CG2-CH2 3.95Å; V29-W97 HydrophobicContact CG2-CZ3 3.85Å; L37-W97 HydrophobicContact CD1-CH2 3.82Å; L37-W97 HydrophobicContact CD1-CZ2 4.31Å; F87-W97 HydrophobicContact CB-CE3 3.75Å; F87-W97 HydrophobicContact CB-CZ3 3.9Å; F87-W97 HydrophobicContact CG-CE3 4.22Å; F87-W97 HydrophobicContact CG-CZ3 4.41Å; A89-W97 HydrophobicContact CB-CD2 3.81Å; A89-W97 HydrophobicContact CB-CE3 3.87Å; A89-W97 HydrophobicContact CB-CG 4.27Å; A89-W97 HydrophobicContact CB-CZ3 4.23Å; L92-W97 HydrophobicContact CD2-CH2 3.34Å; L92-W97 HydrophobicContact CD2-CZ2 3.12Å; L92-W97 HydrophobicContact CD2-CZ3 4.23Å; P93-W97 PolarHBondContact O-NE1 2.78Å
98	G	91.9	Very high	85.7	Confident	26 Å²	26	74.5 Å²	74.5	27%	0.268	41%	0.41	S	S	.	.			trans	-71.2	164.3	164.8	0	0	0	0	0	111.6	C88 G100	C88-G98 PolarHBondContact O-N 3.03Å; G98-G100 PolarHBondContact O-N 3.26Å; G98-G100 VanDerWaalsContact O-N 3.12Å
99	Q	92.1	Very high	85.3	Confident	189 Å²	189	77.6 Å²	77.6	88%	0.883	43%	0.425	S	S	*	.			trans	-62.4	-19.8	179.4	-64.3	-62.9	-25	0	0	113.6
100	G	93.5	Very high	84.8	Confident	27 Å²	27	81.6 Å²	81.6	28%	0.278	45%	0.447	S	S	.	.			trans	86	150	-177.3	0	0	0	0	0	112.8	Y86 G98	Y86-G100 CarbonylContact O-C 3.55Å; Y86-G100 VanDerWaalsContact O-CA 3.25Å; Y86-G100 WeakPolarHBondContact O-CA 3.46Å; G98-G100 PolarHBondContact O-N 3.26Å; G98-G100 VanDerWaalsContact O-N 3.12Å
101	T	95.3	Very high	84.6	Confident	50 Å²	50	83.2 Å²	83.2	31%	0.307	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	117	177.3	-59.7	0	0	0	0	108.9	I12 Y86 L103	I12-T101 HydrophobicContact CG2-CG2 4.5Å; Y86-T101 PolarHBondContact N-O 3.31Å; Y86-T101 PolarHBondContact O-N 3Å; T101-L103 PolarHBondContact O-N 3.09Å
102	T	96.1	Very high	84.9	Confident	58 Å²	58	82.3 Å²	82.3	36%	0.356	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	121	172.8	-50.5	0	0	0	0	110	P1 E2	P1-T102 CarbonylContact C-O 3.47Å; P1-T102 WeakPolarHBondContact CA-O 3.48Å; E2-T102 PolarHBondContact N-O 2.99Å
103	L	94.8	Very high	85.5	Confident	1 Å²	1	83.3 Å²	83.3	1%	0.005	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	129.2	171.6	-179.7	69.1	0	0	0	108.7	E2 V4 V10 L75 L78 S83 A84 Y86 T101 V105	E2-L103 HydrophobicContact CB-CD1 4.03Å; E2-L103 HydrophobicContact CG-CD1 4.41Å; V4-L103 HydrophobicContact CG1-CD1 4.2Å; V4-L103 HydrophobicContact CG2-CD1 3.8Å; V4-L103 HydrophobicContact CG2-CG 4.5Å; V10-L103 HydrophobicContact CB-CD1 4.47Å; V10-L103 HydrophobicContact CG1-CD1 4.16Å; V10-L103 HydrophobicContact CG1-CD2 3.86Å; V10-L103 HydrophobicContact CG2-CD1 4.3Å; L75-L103 HydrophobicContact CD1-CD2 4.14Å; L78-L103 HydrophobicContact CD1-CD2 4.17Å; L78-L103 HydrophobicContact CD2-CD2 4.05Å; S83-L103 CarbonylContact C-O 3.57Å; S83-L103 VanDerWaalsContact CA-O 3.26Å; S83-L103 WeakPolarHBondContact CA-O 3.46Å; A84-L103 PolarHBondContact N-O 3.38Å; A84-L103 PolarHBondContact O-N 2.95Å; Y86-L103 HydrophobicContact CD2-CB 3.9Å; Y86-L103 HydrophobicContact CD2-CD2 4.34Å; Y86-L103 HydrophobicContact CE2-CB 3.76Å; Y86-L103 HydrophobicContact CE2-CD2 3.67Å; Y86-L103 HydrophobicContact CE2-CG 4.34Å; T101-L103 PolarHBondContact O-N 3.09Å; L103-V105 HydrophobicContact CD2-CG2 4.4Å; L103-V105 HydrophobicContact CG-CG2 4.32Å
104	T	95.1	Very high	87.2	Confident	58 Å²	58	81.5 Å²	81.5	36%	0.356	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	122.1	175.1	-58.3	0	0	0	0	108.6	E2 L3 V4	E2-T104 PolarHBondContact O-N 2.6Å; L3-T104 WeakPolarHBondContact CA-O 3.4Å; L3-T104 HydrophobicContact CD1-CG2 3.86Å; V4-T104 PolarHBondContact N-O 2.66Å
105	V	93.1	Very high	88.5	Confident	6 Å²	6	69.7 Å²	69.7	4%	0.036	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	109.8	177.2	-170.9	0	0	0	0	108.5	V4 P6 L78 T79 D82 S83 L103	V4-V105 HydrophobicContact CG2-CB 4.32Å; V4-V105 HydrophobicContact CG2-CG1 4.35Å; V4-V105 HydrophobicContact CG2-CG2 3.78Å; V4-V105 CarbonylContact O-C 3.55Å; V4-V105 VanDerWaalsContact O-CA 3.3Å; V4-V105 WeakPolarHBondContact O-CA 3.36Å; P6-V105 HydrophobicContact CB-CG1 4.48Å; P6-V105 HydrophobicContact CG-CG1 4.21Å; L78-V105 HydrophobicContact CB-CG1 4.1Å; L78-V105 HydrophobicContact CB-CG2 4.03Å; L78-V105 HydrophobicContact CD1-CG2 4.28Å; T79-V105 VanDerWaalsContact O-CB 3.28Å; T79-V105 WeakPolarHBondContact O-CB 3.4Å; T79-V105 WeakPolarHBondContact O-CG1 3.41Å; T79-V105 WeakPolarHBondContact O-CG2 3.04Å; D82-V105 HydrophobicContact CB-CG2 4.17Å; S83-V105 PolarHBondContact OG-N 2.81Å; S83-V105 PolarHBondContact OG-O 2.77Å; L103-V105 HydrophobicContact CD2-CG2 4.4Å; L103-V105 HydrophobicContact CG-CG2 4.32Å
106	S	90.4	Very high	89.3	Confident	40 Å²	40	73.7 Å²	73.7	28%	0.28	44%	0.436	S	S	.	.			trans	-143.1	145	-177.3	-171.5	0	0	0	0	111.3	V4 A108	V4-S106 PolarHBondContact O-N 2.92Å; S106-A108 VanDerWaalsContact C-N 3.28Å; S106-A108 VanDerWaalsContact OG-CB 3.24Å; S106-A108 WeakPolarHBondContact OG-CB 3.42Å; S106-A108 PolarHBondContact OG-N 3.26Å; S106-A108 VanDerWaalsContact OG-N 3.14Å
107	S	78.6	Confident	89.5	Confident	107 Å²	107	66.3 Å²	66.3	75%	0.748	42%	0.419	S	S	*	.			trans	-86.4	-1.1	169.9	57.7	0	0	0	0	113.2
108	A	60.9	Low	89.2	Confident	140 Å²	140	63.8 Å²	63.8	100%	1.157	43%	0.425	S	S	*	.			trans	-58	0	-179.9	0	0	0	0	0	112.6	S106	S106-A108 VanDerWaalsContact C-N 3.28Å; S106-A108 VanDerWaalsContact OG-CB 3.24Å; S106-A108 WeakPolarHBondContact OG-CB 3.42Å; S106-A108 PolarHBondContact OG-N 3.26Å; S106-A108 VanDerWaalsContact OG-N 3.14Å

Retrieved 108 of 108 residues in 23 ms (Link to these results)

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