X5J4Q3_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4Q3, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 104 aa.

						>X5J4Q3_MOUSE|X5J4Q3
AELVKPGASVKISCKASGYAFSSYWMNWVKQRPGKGLEWIGQIYPGDGDTNYNGKFKGKAILTADKSSSTAHMQLSSLTSEDSAVYFCARGAYWGQGTLVTVSA
					

Structure Viewer

Loading PAE data...

(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	A	78.1	Confident	92.7	Very high	105 Å²	105	77.3 Å²	77.3	87%	0.868	46%	0.461	S	S	*	.				0	139.2	0	0	0	0	0	0	107.2	L99	A1-L99 CarbonylContact C-O 3.52Å; A1-L99 WeakPolarHBondContact CA-O 3.27Å; A1-L99 HydrophobicContact CB-CB 4Å; A1-L99 HydrophobicContact CB-CD2 4.41Å; A1-L99 HydrophobicContact CB-CG 4.45Å
2	E	87.5	Confident	93.1	Very high	92 Å²	92	71.3 Å²	71.3	43%	0.43	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	125.4	-174.6	-62.6	-63.9	152	0	0	109.3	V4 V10 T98 L99 V100 T101	E2-V4 HydrophobicContact CB-CG1 4.44Å; E2-V10 HydrophobicContact CB-CG2 4.05Å; E2-V10 HydrophobicContact CG-CG2 3.91Å; E2-T98 HydrophobicContact CG-CG2 4.25Å; E2-L99 PolarHBondContact N-O 3.49Å; E2-V100 HydrophobicContact CB-CG2 4.27Å; E2-V100 CarbonylContact O-C 3.54Å; E2-V100 WeakPolarHBondContact O-CA 3.47Å; E2-T101 PolarHBondContact O-N 2.62Å
3	L	92.4	Very high	93.4	Very high	132 Å²	132	70.9 Å²	70.9	69%	0.691	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104	120.6	170.8	179.7	65.3	0	0	0	108.4	T101	L3-T101 WeakPolarHBondContact CA-O 3.35Å; L3-T101 HydrophobicContact CD1-CG2 4.03Å
4	V	94	Very high	93.7	Very high	19 Å²	19	66.9 Å²	66.9	12%	0.115	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	153.4	-172.1	-61.8	0	0	0	0	111.3	E2 V10 L78 V100 T101 V102 S103	E2-V4 HydrophobicContact CB-CG1 4.44Å; V4-V10 HydrophobicContact CG1-CB 4.3Å; V4-V10 HydrophobicContact CG1-CG2 4.29Å; V4-L78 HydrophobicContact CB-CD1 4.37Å; V4-L78 HydrophobicContact CG2-CD1 3.59Å; V4-V100 HydrophobicContact CG2-CG1 4.08Å; V4-T101 PolarHBondContact N-O 3.27Å; V4-V102 HydrophobicContact CG2-CB 4.32Å; V4-V102 HydrophobicContact CG2-CG1 4.48Å; V4-V102 HydrophobicContact CG2-CG2 3.82Å; V4-V102 CarbonylContact O-C 3.48Å; V4-V102 VanDerWaalsContact O-CA 3.31Å; V4-V102 WeakPolarHBondContact O-CA 3.04Å; V4-S103 PolarHBondContact O-N 2.73Å
5	K	93.7	Very high	93.9	Very high	160 Å²	160	73.3 Å²	73.3	70%	0.696	43%	0.425	S	S	*	.			trans	-82	153.8	175.9	-64.5	-178	-179	-179.3	0	110.9	A8	K5-A8 WeakPolarHBondContact O-CB 3.48Å; K5-A8 PolarHBondContact O-N 3.03Å
6	P	94.8	Very high	93.9	Very high	71 Å²	71	69.5 Å²	69.5	46%	0.461	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	141.5	168.8	-25.9	35.2	0	0	0	111.9	A8 L78 V102 S103	P6-A8 PolarHBondContact O-N 3.24Å; P6-L78 CarbonylContact C-O 3.53Å; P6-L78 WeakPolarHBondContact CA-O 3.22Å; P6-V102 HydrophobicContact CB-CG1 4.42Å; P6-V102 HydrophobicContact CG-CG1 4.08Å; P6-S103 VanDerWaalsContact CD-O 3.23Å; P6-S103 WeakPolarHBondContact CD-O 3.3Å; P6-S103 WeakPolarHBondContact CG-O 3.4Å
7	G	93.8	Very high	93.9	Very high	52 Å²	52	71.5 Å²	71.5	54%	0.536	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	-13.7	-177.8	0	0	0	0	0	115.1	L78	G7-L78 PolarHBondContact N-O 3.48Å
8	A	95.2	Very high	93.8	Very high	36 Å²	36	72.4 Å²	72.4	30%	0.298	45%	0.45	S	S	.	.			trans	-70.7	167.3	177.3	0	0	0	0	0	112.3	K5 P6 S77 L78	K5-A8 WeakPolarHBondContact O-CB 3.48Å; K5-A8 PolarHBondContact O-N 3.03Å; P6-A8 PolarHBondContact O-N 3.24Å; A8-S77 PolarHBondContact O-N 2.81Å; A8-L78 WeakPolarHBondContact O-CB 3.29Å; A8-L78 VanDerWaalsContact O-CG 3.29Å; A8-L78 WeakPolarHBondContact O-CG 3.31Å; A8-L78 PolarHBondContact O-N 2.95Å
9	S	96	Very high	93.7	Very high	60 Å²	60	71.6 Å²	71.6	42%	0.42	44%	0.438	S	S	.	.			trans	-109	150.2	169.5	-62	0	0	0	0	110.5	L75 S76	S9-L75 CarbonylContact C-O 3.54Å; S9-L75 WeakPolarHBondContact CA-O 3.4Å; S9-L75 VanDerWaalsContact CB-O 3.25Å; S9-L75 WeakPolarHBondContact CB-O 3.44Å; S9-S76 WeakPolarHBondContact OG-CA 3.44Å; S9-S76 WeakPolarHBondContact OG-CB 3.33Å; S9-S76 PolarHBondContact OG-OG 2.03Å; S9-S76 VanDerWaalsContact OG-OG 3.05Å
10	V	96.6	Very high	93.8	Very high	10 Å²	10	70.8 Å²	70.8	6%	0.061	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	142.1	172.5	73.7	0	0	0	0	109.9	E2 V4 I12 Q74 L75 L78 V100	E2-V10 HydrophobicContact CB-CG2 4.05Å; E2-V10 HydrophobicContact CG-CG2 3.91Å; V4-V10 HydrophobicContact CG1-CB 4.3Å; V4-V10 HydrophobicContact CG1-CG2 4.29Å; V10-I12 HydrophobicContact CG1-CG1 4.27Å; V10-Q74 CarbonylContact O-C 3.46Å; V10-Q74 WeakPolarHBondContact O-CA 3.4Å; V10-L75 HydrophobicContact CG1-CB 4.18Å; V10-L75 HydrophobicContact CG1-CD1 4.36Å; V10-L75 PolarHBondContact N-O 3.26Å; V10-L75 PolarHBondContact O-N 2.85Å; V10-L78 HydrophobicContact CB-CD1 3.94Å; V10-L78 HydrophobicContact CG1-CD1 3.73Å; V10-V100 HydrophobicContact CG1-CG1 4.31Å; V10-V100 HydrophobicContact CG1-CG2 4.38Å
11	K	97.3	Very high	93.8	Very high	113 Å²	113	67.8 Å²	67.8	49%	0.491	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	112.9	173.5	-175.1	178.4	176.7	-176.9	0	109.4	H72	K11-H72 VanDerWaalsContact CE-CB 3.44Å; K11-H72 VanDerWaalsContact CE-ND1 3.3Å; K11-H72 WeakPolarHBondContact CE-ND1 3.23Å; K11-H72 HydrophobicContact CG-CB 4.31Å
12	I	97.4	Very high	94.7	Very high	5 Å²	5	65.2 Å²	65.2	3%	0.026	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	135.5	176.1	-48.4	-173.9	0	0	0	108.2	V10 W28 H72 M73 L75 Y86 T98 V100	V10-I12 HydrophobicContact CG1-CG1 4.27Å; I12-W28 HydrophobicContact CB-CH2 4.27Å; I12-W28 HydrophobicContact CB-CZ3 4.03Å; I12-W28 HydrophobicContact CG2-CH2 4.09Å; I12-W28 HydrophobicContact CG2-CZ3 3.7Å; I12-H72 CarbonylContact O-C 3.4Å; I12-H72 VanDerWaalsContact O-CA 3.23Å; I12-H72 WeakPolarHBondContact O-CA 3.35Å; I12-M73 HydrophobicContact CB-CE 4.47Å; I12-M73 HydrophobicContact CD1-CE 3.66Å; I12-M73 HydrophobicContact CG1-CE 4.31Å; I12-M73 PolarHBondContact N-O 3.48Å; I12-M73 PolarHBondContact O-N 2.66Å; I12-L75 HydrophobicContact CD1-CD1 4.45Å; I12-Y86 HydrophobicContact CD1-CD1 4.39Å; I12-Y86 HydrophobicContact CD1-CD2 3.79Å; I12-Y86 HydrophobicContact CD1-CG 3.63Å; I12-T98 HydrophobicContact CG2-CG2 4.28Å; I12-V100 HydrophobicContact CD1-CG2 3.75Å; I12-V100 HydrophobicContact CG1-CG2 4.46Å
13	S	97.4	Very high	95	Very high	67 Å²	67	63.8 Å²	63.8	47%	0.469	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	141.3	-177.8	-55.6	0	0	0	0	110.8	A71 H72	S13-A71 CarbonylContact C-O 3.58Å; S13-A71 WeakPolarHBondContact CA-O 3.2Å; S13-H72 WeakPolarHBondContact CB-ND1 3.33Å; S13-H72 PolarHBondContact OG-CE1 3.37Å; S13-H72 PolarHBondContact OG-ND1 3.32Å
14	C	97.1	Very high	95.1	Very high	15 Å²	15	63 Å²	63	10%	0.101	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	106.4	177.3	177.3	0	0	0	0	109.3	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.79Å; C14-W28 HydrophobicContact CB-CZ2 4.08Å; C14-T70 CarbonylContact O-C 3.59Å; C14-T70 WeakPolarHBondContact O-CA 3.47Å; C14-A71 PolarHBondContact N-O 3.27Å; C14-A71 PolarHBondContact O-N 3.06Å; C14-C88 HydrophobicContact CB-CB 3.43Å; C14-C88 VanDerWaalsContact CB-CB 3.43Å; C14-C88 WeakPolarHBondContact CB-SG 3.11Å; C14-C88 WeakPolarHBondContact SG-CB 3.31Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.82Å
15	K	96.8	Very high	95.3	Very high	163 Å²	163	66.2 Å²	66.2	71%	0.709	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	122.3	177.9	-172.6	173.4	-176.6	176.5	0	109.9
16	A	95.1	Very high	95.5	Very high	12 Å²	12	58.9 Å²	58.9	10%	0.099	36%	0.363	C	S	.	.			trans	-83.1	150.8	174.8	0	0	0	0	0	111.4	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 3.75Å; A16-Y19 HydrophobicContact CB-CE2 4.35Å; A16-Y19 VanDerWaalsContact CB-OH 3.22Å; A16-Y19 WeakPolarHBondContact CB-OH 3.39Å; A16-F21 HydrophobicContact CB-CB 4.2Å; A16-F21 HydrophobicContact CB-CD2 3.41Å; A16-F21 VanDerWaalsContact CB-CD2 3.41Å; A16-F21 HydrophobicContact CB-CE2 4.08Å; A16-F21 HydrophobicContact CB-CG 4.07Å; A16-S69 WeakPolarHBondContact CB-O 3.28Å; A16-S69 PolarHBondContact N-O 2.99Å
17	S	93.5	Very high	95.7	Very high	103 Å²	103	57 Å²	57	72%	0.72	35%	0.349	S	S	*	.			trans	-150	152.8	174.4	60.4	0	0	0	0	110.5	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.43Å; S17-Y19 PolarHBondContact O-N 2.81Å
18	G	92.4	Very high	95.9	Very high	88 Å²	88	54.6 Å²	54.6	91%	0.907	32%	0.324	S	S	*	.	S	Bend	trans	78.6	13.6	174.6	0	0	0	0	0	115.9
19	Y	91.4	Very high	96	Very high	57 Å²	57	53.3 Å²	53.3	22%	0.224	31%	0.312	C	S	.	.	S	Bend	trans	-160	167.7	174.3	65.2	-84.6	0	0	0	112.3	A16 S17 F21 Y24 M26 R90	A16-Y19 HydrophobicContact CB-CE1 3.75Å; A16-Y19 HydrophobicContact CB-CE2 4.35Å; A16-Y19 VanDerWaalsContact CB-OH 3.22Å; A16-Y19 WeakPolarHBondContact CB-OH 3.39Å; S17-Y19 WeakPolarHBondContact O-CD1 3.43Å; S17-Y19 PolarHBondContact O-N 2.81Å; Y19-F21 HydrophobicContact CE2-CB 4.47Å; Y19-F21 HydrophobicContact CE2-CD2 4.42Å; Y19-F21 PolarHBondContact O-N 3.23Å; Y19-Y24 AromaticContact CD2-CD2 3.56Å; Y19-Y24 HydrophobicContact CD2-CD2 3.56Å; Y19-Y24 HydrophobicContact CD2-CE2 4.02Å; Y19-Y24 HydrophobicContact CD2-CG 4.38Å; Y19-Y24 AromaticContact CE2-CD2 3.99Å; Y19-Y24 HydrophobicContact CE2-CD2 3.99Å; Y19-Y24 HydrophobicContact CE2-CG 4.44Å; Y19-M26 VanDerWaalsContact OH-CE 3.31Å; Y19-M26 WeakPolarHBondContact OH-CE 3.33Å; Y19-R90 VanDerWaalsContact CB-NH1 3.26Å
20	A	94.8	Very high	96.1	Very high	56 Å²	56	50.4 Å²	50.4	46%	0.463	29%	0.292	S	S	.	.			trans	-70.2	95.6	171.3	0	0	0	0	0	110.6	S22 S23 Y24	A20-S22 PolarHBondContact O-N 3.21Å; A20-S22 VanDerWaalsContact O-N 3.17Å; A20-S23 PolarHBondContact O-N 3.07Å; A20-Y24 WeakPolarHBondContact O-CD2 3.11Å
21	F	95.1	Very high	96.1	Very high	7 Å²	7	53.5 Å²	53.5	3%	0.031	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-54.7	-34.7	-175.8	174.5	-115.2	0	0	0	113.8	A16 Y19 S23 M26 P45 A64 A71	A16-F21 HydrophobicContact CB-CB 4.2Å; A16-F21 HydrophobicContact CB-CD2 3.41Å; A16-F21 VanDerWaalsContact CB-CD2 3.41Å; A16-F21 HydrophobicContact CB-CE2 4.08Å; A16-F21 HydrophobicContact CB-CG 4.07Å; Y19-F21 HydrophobicContact CE2-CB 4.47Å; Y19-F21 HydrophobicContact CE2-CD2 4.42Å; Y19-F21 PolarHBondContact O-N 3.23Å; F21-S23 PolarHBondContact O-N 2.87Å; F21-M26 HydrophobicContact CE2-CE 4.06Å; F21-P45 HydrophobicContact CD1-CB 3.85Å; F21-P45 HydrophobicContact CD1-CG 4.16Å; F21-P45 HydrophobicContact CD2-CG 4.17Å; F21-P45 HydrophobicContact CE1-CB 3.49Å; F21-P45 VanDerWaalsContact CE1-CB 3.49Å; F21-P45 HydrophobicContact CE1-CG 3.71Å; F21-P45 HydrophobicContact CE2-CB 4.4Å; F21-P45 HydrophobicContact CE2-CG 3.7Å; F21-P45 HydrophobicContact CG-CB 4.47Å; F21-P45 HydrophobicContact CG-CG 4.4Å; F21-P45 HydrophobicContact CZ-CB 3.8Å; F21-P45 HydrophobicContact CZ-CG 3.45Å; F21-P45 VanDerWaalsContact CZ-CG 3.45Å; F21-P45 WeakPolarHBondContact O-CG 3.24Å; F21-A64 HydrophobicContact CE1-CB 4.07Å; F21-A64 HydrophobicContact CZ-CB 4.05Å; F21-A71 HydrophobicContact CE2-CB 4.15Å; F21-A71 HydrophobicContact CZ-CB 3.89Å
22	S	95.7	Very high	96	Very high	52 Å²	52	51.1 Å²	51.1	36%	0.364	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-71.3	-6.8	179.1	51	0	0	0	0	115.3	A20 G46	A20-S22 PolarHBondContact O-N 3.21Å; A20-S22 VanDerWaalsContact O-N 3.17Å; S22-G46 WeakPolarHBondContact O-CA 3.4Å; S22-G46 PolarHBondContact O-N 2.87Å
23	S	95.3	Very high	95.7	Very high	61 Å²	61	56.4 Å²	56.4	43%	0.427	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-106	5.3	-174.6	-54.5	0	0	0	0	114.2	A20 F21 Y44	A20-S23 PolarHBondContact O-N 3.07Å; F21-S23 PolarHBondContact O-N 2.87Å; S23-Y44 VanDerWaalsContact C-CE2 3.5Å
24	Y	94.8	Very high	95.5	Very high	115 Å²	115	57.5 Å²	57.5	45%	0.451	35%	0.349	S	S	.	.	S	Bend	trans	-139.3	144.9	-175.3	-64.3	-88.7	0	0	0	112.7	Y19 A20 M26 P45 R90	Y19-Y24 AromaticContact CD2-CD2 3.56Å; Y19-Y24 HydrophobicContact CD2-CD2 3.56Å; Y19-Y24 HydrophobicContact CD2-CE2 4.02Å; Y19-Y24 HydrophobicContact CD2-CG 4.38Å; Y19-Y24 AromaticContact CE2-CD2 3.99Å; Y19-Y24 HydrophobicContact CE2-CD2 3.99Å; Y19-Y24 HydrophobicContact CE2-CG 4.44Å; A20-Y24 WeakPolarHBondContact O-CD2 3.11Å; Y24-M26 PolarHBondContact O-N 3.2Å; Y24-P45 WeakPolarHBondContact O-CD 3.23Å; Y24-R90 HydrophobicContact CD1-CG 4.42Å; Y24-R90 HydrophobicContact CG-CG 4.32Å
25	W	97.2	Very high	95.3	Very high	88 Å²	88	63.5 Å²	63.5	33%	0.333	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-66.3	130	170.1	-70	95.8	0	0	0	111.4	Q42 Y44 D49	W25-Q42 HydrophobicContact CD2-CG 4.26Å; W25-Q42 HydrophobicContact CE3-CB 4.01Å; W25-Q42 HydrophobicContact CE3-CG 3.47Å; W25-Q42 VanDerWaalsContact CE3-CG 3.47Å; W25-Q42 HydrophobicContact CZ3-CG 3.85Å; W25-Y44 AromaticContact CD1-CD2 3.89Å; W25-Y44 AromaticContact CD2-CD2 3.95Å; W25-Y44 HydrophobicContact CD2-CD2 3.95Å; W25-Y44 HydrophobicContact CD2-CG 4.29Å; W25-Y44 AromaticContact CE2-CD2 3.85Å; W25-Y44 AromaticContact CG-CD2 3.98Å; W25-Y44 HydrophobicContact CG-CD2 3.98Å; W25-Y44 HydrophobicContact CZ2-CD2 4.45Å; W25-Y44 HydrophobicContact CZ2-CG 4.26Å; W25-Y44 AromaticContact NE1-CD2 3.78Å; W25-D49 HydrophobicContact CH2-CB 3.96Å; W25-D49 WeakPolarHBondContact CH2-OD2 3.31Å; W25-D49 WeakPolarHBondContact CZ3-O 3.44Å
26	M	97.9	Very high	95.2	Very high	5 Å²	5	58.4 Å²	58.4	3%	0.025	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	116.5	169	-174.9	60.5	67.4	0	0	109.3	Y19 F21 Y24 Q42 I43 A71 C88	Y19-M26 VanDerWaalsContact OH-CE 3.31Å; Y19-M26 WeakPolarHBondContact OH-CE 3.33Å; F21-M26 HydrophobicContact CE2-CE 4.06Å; Y24-M26 PolarHBondContact O-N 3.2Å; M26-Q42 CarbonylContact O-C 3.58Å; M26-Q42 WeakPolarHBondContact O-CA 3.2Å; M26-Q42 WeakPolarHBondContact O-CB 3.29Å; M26-I43 HydrophobicContact CB-CG2 4.1Å; M26-I43 PolarHBondContact N-O 3.17Å; M26-I43 PolarHBondContact O-N 3.13Å; M26-A71 HydrophobicContact CB-CB 4.15Å; M26-A71 HydrophobicContact CG-CB 3.63Å; M26-C88 HydrophobicContact CG-CB 4.41Å; M26-C88 HydrophobicContact SD-CB 3.74Å
27	N	98.2	Very high	95.3	Very high	32 Å²	32	62.4 Å²	62.4	17%	0.171	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	146.6	179	-71.5	-94.4	0	0	0	110.6	W39 Q42 C88 A89	N27-W39 PolarHBondContact OD1-NE1 2.9Å; N27-Q42 PolarHBondContact OD1-OE1 2.87Å; N27-C88 CarbonylContact O-C 3.55Å; N27-C88 WeakPolarHBondContact O-CA 3.43Å; N27-A89 HydrophobicContact CB-CB 4.37Å; N27-A89 WeakPolarHBondContact CB-O 3.19Å; N27-A89 PolarHBondContact N-O 3.17Å; N27-A89 PolarHBondContact O-N 3.05Å
28	W	98.4	Very high	95.5	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.008	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	134.3	172.8	-70	92.4	0	0	0	110.3	I12 C14 I40 G41 L62 A71 M73 F87 C88	I12-W28 HydrophobicContact CB-CH2 4.27Å; I12-W28 HydrophobicContact CB-CZ3 4.03Å; I12-W28 HydrophobicContact CG2-CH2 4.09Å; I12-W28 HydrophobicContact CG2-CZ3 3.7Å; C14-W28 HydrophobicContact CB-CH2 3.79Å; C14-W28 HydrophobicContact CB-CZ2 4.08Å; W28-I40 HydrophobicContact CB-CB 4.17Å; W28-I40 HydrophobicContact CB-CD1 4.39Å; W28-I40 WeakPolarHBondContact O-CB 3.48Å; W28-I40 PolarHBondContact O-N 3.03Å; W28-G41 PolarHBondContact N-O 2.83Å; W28-L62 HydrophobicContact CB-CD2 4.49Å; W28-L62 VanDerWaalsContact CD1-CD2 3.49Å; W28-L62 HydrophobicContact CG-CD2 3.98Å; W28-A71 HydrophobicContact CZ2-CB 4.09Å; W28-M73 HydrophobicContact CB-SD 3.91Å; W28-M73 HydrophobicContact CD2-CB 3.6Å; W28-M73 HydrophobicContact CD2-CE 4.43Å; W28-M73 HydrophobicContact CD2-CG 4.41Å; W28-M73 HydrophobicContact CD2-SD 4.09Å; W28-M73 HydrophobicContact CE3-CB 3.8Å; W28-M73 HydrophobicContact CE3-CE 3.81Å; W28-M73 HydrophobicContact CE3-SD 4.06Å; W28-M73 HydrophobicContact CG-CB 4.14Å; W28-M73 HydrophobicContact CG-SD 4.05Å; W28-M73 HydrophobicContact CH2-CB 4.05Å; W28-M73 HydrophobicContact CZ2-CB 3.87Å; W28-M73 HydrophobicContact CZ3-CB 4.02Å; W28-M73 HydrophobicContact CZ3-CE 4.28Å; W28-F87 WeakPolarHBondContact CA-O 3.29Å; W28-C88 HydrophobicContact CD2-CB 4.48Å; W28-C88 HydrophobicContact CE3-CB 4.25Å; W28-C88 HydrophobicContact CH2-CB 4.27Å; W28-C88 HydrophobicContact CZ2-CB 4.47Å; W28-C88 HydrophobicContact CZ3-CB 4.15Å
29	V	98.2	Very high	95.7	Very high	8 Å²	8	59 Å²	59	5%	0.048	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	136.2	-172.4	-175.1	0	0	0	0	109.7	L37 E38 Y86 F87 W94	V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.93Å; V29-L37 HydrophobicContact CG1-CG 4.34Å; V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 3.2Å; V29-Y86 CarbonylContact O-C 3.54Å; V29-Y86 WeakPolarHBondContact O-CA 3.49Å; V29-F87 HydrophobicContact CB-CB 4.5Å; V29-F87 PolarHBondContact N-O 2.61Å; V29-F87 PolarHBondContact O-N 3.5Å; V29-W94 HydrophobicContact CB-CH2 4.29Å; V29-W94 HydrophobicContact CB-CZ3 3.95Å; V29-W94 HydrophobicContact CG1-CH2 4.25Å; V29-W94 HydrophobicContact CG1-CZ3 4.16Å; V29-W94 HydrophobicContact CG2-CH2 3.88Å; V29-W94 HydrophobicContact CG2-CZ3 3.9Å
30	K	97.4	Very high	96	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	139	173.8	-176.5	176.4	-179.5	176.2	0	109.8	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.3Å; K30-E38 PolarHBondContact N-O 2.81Å; K30-E38 PolarHBondContact O-N 2.79Å; K30-I40 HydrophobicContact CB-CD1 4.02Å; K30-I40 HydrophobicContact CB-CG1 4.22Å; K30-F56 HydrophobicContact CB-CZ 4.47Å; K30-F56 HydrophobicContact CD-CE1 3.93Å; K30-F56 HydrophobicContact CD-CZ 4.03Å; K30-E81 WeakPolarHBondContact CE-O 3.4Å; K30-E81 PolarHBondContact NZ-O 2.91Å; K30-D82 IonicContact NZ-OD1 3.56Å; K30-D82 PolarHBondContact NZ-OD1 3.05Å; K30-A84 HydrophobicContact CD-CB 4.24Å; K30-A84 HydrophobicContact CG-CB 3.59Å; K30-Y86 HydrophobicContact CB-CD1 4.1Å; K30-Y86 HydrophobicContact CB-CE1 3.88Å; K30-Y86 HydrophobicContact CD-CE1 3.85Å; K30-Y86 WeakPolarHBondContact CE-OH 3.4Å; K30-Y86 HydrophobicContact CG-CD1 4.23Å; K30-Y86 HydrophobicContact CG-CE1 3.68Å
31	Q	97.4	Very high	96.2	Very high	74 Å²	74	53.6 Å²	53.6	35%	0.346	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	114.8	169.7	-167	-178.1	31	0	0	110.1	L37 A84 V85 F87	Q31-L37 HydrophobicContact CB-CD2 3.87Å; Q31-L37 HydrophobicContact CG-CD2 3.94Å; Q31-A84 WeakPolarHBondContact O-CA 3.48Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.38Å; Q31-V85 PolarHBondContact N-O 2.77Å; Q31-V85 PolarHBondContact O-N 2.81Å; Q31-F87 HydrophobicContact CB-CD2 4.4Å; Q31-F87 HydrophobicContact CB-CE2 3.81Å
32	R	95.1	Very high	96.3	Very high	64 Å²	64	55.2 Å²	55.2	24%	0.242	31%	0.307	C	S	.	.			trans	-86.6	150.5	171.7	-61.6	179.1	177.2	122.3	-18.2	110.2	G34 K35 E38 E81 A84	R32-G34 PolarHBondContact O-N 3.44Å; R32-K35 HydrophobicContact CB-CB 3.98Å; R32-K35 HydrophobicContact CB-CG 3.93Å; R32-K35 PolarHBondContact O-N 3.29Å; R32-E38 IonicContact CZ-OE2 2.83Å; R32-E38 IonicContact NH1-OE1 2.61Å; R32-E38 PolarHBondContact NH1-OE1 2.81Å; R32-E38 IonicContact NH1-OE2 3.23Å; R32-E38 PolarHBondContact NH1-OE2 2.93Å; R32-E81 PolarHBondContact NE-O 2.8Å; R32-E81 PolarHBondContact NH2-O 2.86Å; R32-E81 IonicContact NH2-OE2 2.66Å; R32-A84 HydrophobicContact CG-CB 4.19Å
33	P	91.5	Very high	96.5	Very high	116 Å²	116	53 Å²	53	75%	0.753	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	127.8	173.3	-25.6	34.6	0	0	0	111.5	K35	P33-K35 PolarHBondContact O-N 2.92Å
34	G	92.7	Very high	96.6	Very high	89 Å²	89	52.9 Å²	52.9	92%	0.918	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	11.3	-179.9	0	0	0	0	0	115.5	R32	R32-G34 PolarHBondContact O-N 3.44Å
35	K	93.6	Very high	96.7	Very high	142 Å²	142	47.5 Å²	47.5	62%	0.617	26%	0.261	S	S	*	.	S	Bend	trans	-118.4	160.2	175.4	-58.3	-65.1	-176.6	-178.8	0	111	R32 P33	R32-K35 HydrophobicContact CB-CB 3.98Å; R32-K35 HydrophobicContact CB-CG 3.93Å; R32-K35 PolarHBondContact O-N 3.29Å; P33-K35 PolarHBondContact O-N 2.92Å
36	G	94.2	Very high	96.7	Very high	55 Å²	55	44.5 Å²	44.5	57%	0.567	26%	0.257	S	S	*	.			trans	-68.2	174.8	173.1	0	0	0	0	0	113
37	L	96.3	Very high	96.6	Very high	96 Å²	96	49.7 Å²	49.7	50%	0.503	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	131.8	174.2	-64.5	173.9	0	0	0	110.4	V29 Q31 W94	V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.93Å; V29-L37 HydrophobicContact CG1-CG 4.34Å; Q31-L37 HydrophobicContact CB-CD2 3.87Å; Q31-L37 HydrophobicContact CG-CD2 3.94Å; L37-W94 HydrophobicContact CD1-CH2 3.88Å; L37-W94 HydrophobicContact CD1-CZ2 4.45Å; L37-W94 HydrophobicContact CD1-CZ3 4.46Å
38	E	97.1	Very high	96.5	Very high	37 Å²	37	50 Å²	50	17%	0.173	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	111.5	176.2	-68.6	179.6	92.5	0	0	109.3	V29 K30 R32 I40 F56	V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 3.2Å; K30-E38 HydrophobicContact CB-CB 4.3Å; K30-E38 PolarHBondContact N-O 2.81Å; K30-E38 PolarHBondContact O-N 2.79Å; R32-E38 IonicContact CZ-OE2 2.83Å; R32-E38 IonicContact NH1-OE1 2.61Å; R32-E38 PolarHBondContact NH1-OE1 2.81Å; R32-E38 IonicContact NH1-OE2 3.23Å; R32-E38 PolarHBondContact NH1-OE2 2.93Å; E38-I40 PolarHBondContact O-N 2.85Å; E38-F56 HydrophobicContact CB-CE2 4.46Å; E38-F56 HydrophobicContact CB-CZ 4.37Å
39	W	97.7	Very high	96.4	Very high	82 Å²	82	54.2 Å²	54.2	31%	0.311	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	127.3	175.8	-177	80.1	0	0	0	110.6	N27 G41 Q42 N51 N53	N27-W39 PolarHBondContact OD1-NE1 2.9Å; W39-G41 VanDerWaalsContact CZ2-C 3.43Å; W39-G41 VanDerWaalsContact CZ2-CA 3.43Å; W39-G41 PolarHBondContact NE1-O 3.1Å; W39-Q42 HydrophobicContact CZ2-CB 4.05Å; W39-Q42 HydrophobicContact CZ2-CG 3.78Å; W39-N51 HydrophobicContact CH2-CB 4.39Å; W39-N53 HydrophobicContact CE3-CB 3.75Å; W39-N53 HydrophobicContact CZ3-CB 3.96Å; W39-N53 WeakPolarHBondContact O-CB 3.3Å; W39-N53 PolarHBondContact O-ND2 3.18Å
40	I	98.1	Very high	96.4	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-47.1	-178.7	-66.8	168.4	0	0	0	110.4	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.17Å; W28-I40 HydrophobicContact CB-CD1 4.39Å; W28-I40 WeakPolarHBondContact O-CB 3.48Å; W28-I40 PolarHBondContact O-N 3.03Å; K30-I40 HydrophobicContact CB-CD1 4.02Å; K30-I40 HydrophobicContact CB-CG1 4.22Å; E38-I40 PolarHBondContact O-N 2.85Å; I40-N53 WeakPolarHBondContact O-CB 3.34Å; I40-N53 PolarHBondContact O-N 2.79Å; I40-F56 HydrophobicContact CB-CD2 4.28Å; I40-F56 HydrophobicContact CB-CG 4.22Å; I40-F56 HydrophobicContact CG1-CD1 4Å; I40-F56 HydrophobicContact CG1-CD2 4.11Å; I40-F56 HydrophobicContact CG1-CE1 3.97Å; I40-F56 HydrophobicContact CG1-CE2 4.06Å; I40-F56 HydrophobicContact CG1-CG 4.06Å; I40-F56 HydrophobicContact CG1-CZ 3.99Å; I40-F56 HydrophobicContact CG2-CB 3.82Å; I40-F56 HydrophobicContact CG2-CD1 4.29Å; I40-F56 HydrophobicContact CG2-CD2 4.46Å; I40-F56 HydrophobicContact CG2-CG 3.95Å; I40-A60 HydrophobicContact CG2-CB 3.74Å; I40-M73 HydrophobicContact CD1-CE 4.03Å; I40-M73 HydrophobicContact CD1-SD 3.55Å; I40-M73 VanDerWaalsContact CD1-SD 3.55Å; I40-M73 HydrophobicContact CG2-SD 4Å; I40-Y86 HydrophobicContact CD1-CD1 3.74Å; I40-Y86 HydrophobicContact CD1-CE1 3.91Å
41	G	98.1	Very high	96.4	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.8	179.7	-170.8	0	0	0	0	0	111.5	W28 W39 N51	W28-G41 PolarHBondContact N-O 2.83Å; W39-G41 VanDerWaalsContact CZ2-C 3.43Å; W39-G41 VanDerWaalsContact CZ2-CA 3.43Å; W39-G41 PolarHBondContact NE1-O 3.1Å; G41-N51 CarbonylContact C-O 3.56Å; G41-N51 WeakPolarHBondContact CA-O 3.33Å
42	Q	98.1	Very high	96.5	Very high	42 Å²	42	59.6 Å²	59.6	20%	0.196	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	155.6	175.5	64.7	-172.7	-29.4	0	0	111.5	W25 M26 N27 W39 T50 N51	W25-Q42 HydrophobicContact CD2-CG 4.26Å; W25-Q42 HydrophobicContact CE3-CB 4.01Å; W25-Q42 HydrophobicContact CE3-CG 3.47Å; W25-Q42 VanDerWaalsContact CE3-CG 3.47Å; W25-Q42 HydrophobicContact CZ3-CG 3.85Å; M26-Q42 CarbonylContact O-C 3.58Å; M26-Q42 WeakPolarHBondContact O-CA 3.2Å; M26-Q42 WeakPolarHBondContact O-CB 3.29Å; N27-Q42 PolarHBondContact OD1-OE1 2.87Å; W39-Q42 HydrophobicContact CZ2-CB 4.05Å; W39-Q42 HydrophobicContact CZ2-CG 3.78Å; Q42-T50 WeakPolarHBondContact O-CA 3.27Å; Q42-N51 HydrophobicContact CG-CB 4.2Å; Q42-N51 PolarHBondContact N-O 2.88Å; Q42-N51 PolarHBondContact O-N 3.47Å
43	I	98.4	Very high	96.5	Very high	4 Å²	4	58.8 Å²	58.8	2%	0.021	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	137.6	174.5	-177.2	166.4	0	0	0	109.6	M26 P45 D49 T50 L62 A64	M26-I43 HydrophobicContact CB-CG2 4.1Å; M26-I43 PolarHBondContact N-O 3.17Å; M26-I43 PolarHBondContact O-N 3.13Å; I43-P45 WeakPolarHBondContact O-CD 3.07Å; I43-D49 CarbonylContact C-O 3.6Å; I43-D49 WeakPolarHBondContact CA-O 3.37Å; I43-T50 HydrophobicContact CB-CG2 3.94Å; I43-T50 HydrophobicContact CD1-CG2 3.95Å; I43-T50 HydrophobicContact CG1-CG2 3.78Å; I43-L62 HydrophobicContact CB-CB 4.08Å; I43-L62 HydrophobicContact CB-CD1 4.5Å; I43-L62 HydrophobicContact CD1-CB 4.44Å; I43-L62 HydrophobicContact CG2-CB 4.36Å; I43-A64 HydrophobicContact CD1-CB 3.91Å
44	Y	97.9	Very high	96.7	Very high	60 Å²	60	56.1 Å²	56.1	24%	0.235	34%	0.342	C	S	.	.			trans	-94.7	108.1	168.3	-168.4	-111.5	0	0	0	108.7	S23 W25 G46 D47 G48 D49	S23-Y44 VanDerWaalsContact C-CE2 3.5Å; W25-Y44 AromaticContact CD1-CD2 3.89Å; W25-Y44 AromaticContact CD2-CD2 3.95Å; W25-Y44 HydrophobicContact CD2-CD2 3.95Å; W25-Y44 HydrophobicContact CD2-CG 4.29Å; W25-Y44 AromaticContact CE2-CD2 3.85Å; W25-Y44 AromaticContact CG-CD2 3.98Å; W25-Y44 HydrophobicContact CG-CD2 3.98Å; W25-Y44 HydrophobicContact CZ2-CD2 4.45Å; W25-Y44 HydrophobicContact CZ2-CG 4.26Å; W25-Y44 AromaticContact NE1-CD2 3.78Å; Y44-G46 PolarHBondContact O-N 2.81Å; Y44-G46 VanDerWaalsContact O-N 3.1Å; Y44-D47 WeakPolarHBondContact CD1-OD1 3.42Å; Y44-G48 VanDerWaalsContact O-CA 3.27Å; Y44-G48 WeakPolarHBondContact O-CA 3.42Å; Y44-G48 PolarHBondContact O-N 2.93Å; Y44-D49 PolarHBondContact N-O 3.43Å
45	P	97.3	Very high	96.6	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.013	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-15	-174.9	-21.2	34.9	0	0	0	113.8	F21 Y24 I43 A64 K66	F21-P45 HydrophobicContact CD1-CB 3.85Å; F21-P45 HydrophobicContact CD1-CG 4.16Å; F21-P45 HydrophobicContact CD2-CG 4.17Å; F21-P45 HydrophobicContact CE1-CB 3.49Å; F21-P45 VanDerWaalsContact CE1-CB 3.49Å; F21-P45 HydrophobicContact CE1-CG 3.71Å; F21-P45 HydrophobicContact CE2-CB 4.4Å; F21-P45 HydrophobicContact CE2-CG 3.7Å; F21-P45 HydrophobicContact CG-CB 4.47Å; F21-P45 HydrophobicContact CG-CG 4.4Å; F21-P45 HydrophobicContact CZ-CB 3.8Å; F21-P45 HydrophobicContact CZ-CG 3.45Å; F21-P45 VanDerWaalsContact CZ-CG 3.45Å; F21-P45 WeakPolarHBondContact O-CG 3.24Å; Y24-P45 WeakPolarHBondContact O-CD 3.23Å; I43-P45 WeakPolarHBondContact O-CD 3.07Å; P45-A64 HydrophobicContact CB-CB 3.76Å; P45-A64 HydrophobicContact CG-CB 4.1Å; P45-K66 WeakPolarHBondContact O-CD 3.41Å; P45-K66 WeakPolarHBondContact O-CE 3.38Å
46	G	96.5	Very high	96.7	Very high	25 Å²	25	53.2 Å²	53.2	26%	0.258	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-47.7	-179.8	0	0	0	0	0	113.2	S22 Y44 K66	S22-G46 WeakPolarHBondContact O-CA 3.4Å; S22-G46 PolarHBondContact O-N 2.87Å; Y44-G46 PolarHBondContact O-N 2.81Å; Y44-G46 VanDerWaalsContact O-N 3.1Å; G46-K66 PolarHBondContact O-NZ 2.66Å
47	D	96.3	Very high	96.6	Very high	114 Å²	114	58.4 Å²	58.4	61%	0.61	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.7	-10.1	-178.4	54.4	22.6	0	0	0	113.3	Y44 D49	Y44-D47 WeakPolarHBondContact CD1-OD1 3.42Å; D47-D49 VanDerWaalsContact OD1-CB 3.29Å; D47-D49 WeakPolarHBondContact OD1-CB 3.02Å; D47-D49 PolarHBondContact OD1-N 2.83Å
48	G	96.1	Very high	96.4	Very high	39 Å²	39	57.5 Å²	57.5	40%	0.402	33%	0.325	S	S	.	.			trans	85.3	10.7	-178.1	0	0	0	0	0	113.9	Y44	Y44-G48 VanDerWaalsContact O-CA 3.27Å; Y44-G48 WeakPolarHBondContact O-CA 3.42Å; Y44-G48 PolarHBondContact O-N 2.93Å
49	D	97.7	Very high	96.2	Very high	90 Å²	90	58.2 Å²	58.2	48%	0.481	33%	0.328	S	S	.	.			trans	-61.3	141.8	176.5	-170.5	24.8	0	0	0	110.9	W25 I43 Y44 D47	W25-D49 HydrophobicContact CH2-CB 3.96Å; W25-D49 WeakPolarHBondContact CH2-OD2 3.31Å; W25-D49 WeakPolarHBondContact CZ3-O 3.44Å; I43-D49 CarbonylContact C-O 3.6Å; I43-D49 WeakPolarHBondContact CA-O 3.37Å; Y44-D49 PolarHBondContact N-O 3.43Å; D47-D49 VanDerWaalsContact OD1-CB 3.29Å; D47-D49 WeakPolarHBondContact OD1-CB 3.02Å; D47-D49 PolarHBondContact OD1-N 2.83Å
50	T	98.1	Very high	96.2	Very high	49 Å²	49	54.5 Å²	54.5	30%	0.301	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	139.5	-175.3	54.3	0	0	0	0	111.6	Q42 I43 Y52 L62	Q42-T50 WeakPolarHBondContact O-CA 3.27Å; I43-T50 HydrophobicContact CB-CG2 3.94Å; I43-T50 HydrophobicContact CD1-CG2 3.95Å; I43-T50 HydrophobicContact CG1-CG2 3.78Å; T50-Y52 HydrophobicContact CG2-CE2 4.47Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.42Å; T50-L62 HydrophobicContact CG2-CB 4.15Å
51	N	97.5	Very high	96.2	Very high	90 Å²	90	58.5 Å²	58.5	48%	0.481	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	140.9	170.8	-162.3	-11.2	0	0	0	109.4	W39 G41 Q42	W39-N51 HydrophobicContact CH2-CB 4.39Å; G41-N51 CarbonylContact C-O 3.56Å; G41-N51 WeakPolarHBondContact CA-O 3.33Å; Q42-N51 HydrophobicContact CG-CB 4.2Å; Q42-N51 PolarHBondContact N-O 2.88Å; Q42-N51 PolarHBondContact O-N 3.47Å
52	Y	97.8	Very high	96.2	Very high	55 Å²	55	58.9 Å²	58.9	22%	0.216	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	145.4	-173.8	-67.4	-91.2	0	0	0	110.6	T50 A60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.47Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.42Å; Y52-A60 HydrophobicContact CE1-CB 4.36Å; Y52-A60 VanDerWaalsContact CE1-O 3.3Å; Y52-A60 WeakPolarHBondContact CE1-O 3.48Å; Y52-L62 HydrophobicContact CE1-CD1 4.04Å; Y52-L62 HydrophobicContact CE1-CG 3.71Å; Y52-L62 PolarHBondContact OH-N 2.78Å
53	N	96.6	Very high	96.2	Very high	47 Å²	47	59.9 Å²	59.9	25%	0.251	35%	0.346	S	S	.	.			trans	-68.4	133.4	157.8	-176.3	-27.3	0	0	0	108.8	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.75Å; W39-N53 HydrophobicContact CZ3-CB 3.96Å; W39-N53 WeakPolarHBondContact O-CB 3.3Å; W39-N53 PolarHBondContact O-ND2 3.18Å; I40-N53 WeakPolarHBondContact O-CB 3.34Å; I40-N53 PolarHBondContact O-N 2.79Å; N53-K55 PolarHBondContact O-N 3.29Å; N53-K55 PolarHBondContact OD1-N 2.99Å; N53-K55 VanDerWaalsContact OD1-N 3.13Å; N53-F56 HydrophobicContact CB-CD2 4.04Å; N53-F56 PolarHBondContact O-N 3.4Å; N53-K57 PolarHBondContact O-N 3.18Å
54	G	94.1	Very high	96.2	Very high	61 Å²	61	61.3 Å²	61.3	63%	0.629	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-32.9	-179.4	0	0	0	0	0	113.9	F56 K57	G54-F56 PolarHBondContact O-N 3.38Å; G54-K57 PolarHBondContact O-N 3Å
55	K	92.1	Very high	96.2	Very high	159 Å²	159	61.3 Å²	61.3	69%	0.691	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-26.7	177.4	-67.6	-175.5	179.7	-179.7	0	114.4	N53	N53-K55 PolarHBondContact O-N 3.29Å; N53-K55 PolarHBondContact OD1-N 2.99Å; N53-K55 VanDerWaalsContact OD1-N 3.13Å
56	F	94.3	Very high	96.1	Very high	10 Å²	10	66.8 Å²	66.8	4%	0.044	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-3.9	-175.4	-61.7	-85.7	0	0	0	112.8	K30 E38 I40 N53 G54 G58 K59 A60	K30-F56 HydrophobicContact CB-CZ 4.47Å; K30-F56 HydrophobicContact CD-CE1 3.93Å; K30-F56 HydrophobicContact CD-CZ 4.03Å; E38-F56 HydrophobicContact CB-CE2 4.46Å; E38-F56 HydrophobicContact CB-CZ 4.37Å; I40-F56 HydrophobicContact CB-CD2 4.28Å; I40-F56 HydrophobicContact CB-CG 4.22Å; I40-F56 HydrophobicContact CG1-CD1 4Å; I40-F56 HydrophobicContact CG1-CD2 4.11Å; I40-F56 HydrophobicContact CG1-CE1 3.97Å; I40-F56 HydrophobicContact CG1-CE2 4.06Å; I40-F56 HydrophobicContact CG1-CG 4.06Å; I40-F56 HydrophobicContact CG1-CZ 3.99Å; I40-F56 HydrophobicContact CG2-CB 3.82Å; I40-F56 HydrophobicContact CG2-CD1 4.29Å; I40-F56 HydrophobicContact CG2-CD2 4.46Å; I40-F56 HydrophobicContact CG2-CG 3.95Å; N53-F56 HydrophobicContact CB-CD2 4.04Å; N53-F56 PolarHBondContact O-N 3.4Å; G54-F56 PolarHBondContact O-N 3.38Å; F56-G58 PolarHBondContact O-N 3Å; F56-K59 PolarHBondContact O-N 3.25Å; F56-A60 HydrophobicContact CB-CB 4.44Å; F56-A60 PolarHBondContact O-N 3.39Å
57	K	92.4	Very high	96	Very high	164 Å²	164	70.7 Å²	70.7	71%	0.713	41%	0.409	S	S	*	.	B	Isolated β-bridge	trans	-60.5	125.5	175.4	-167	172.3	-176.3	176.2	0	109.3	N53 G54 K59	N53-K57 PolarHBondContact O-N 3.18Å; G54-K57 PolarHBondContact O-N 3Å; K57-K59 VanDerWaalsContact C-N 3.26Å; K57-K59 PolarHBondContact O-N 2.8Å
58	G	91.6	Very high	96	Very high	78 Å²	78	67.2 Å²	67.2	80%	0.804	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	-17.6	-175.4	0	0	0	0	0	114.9	F56	F56-G58 PolarHBondContact O-N 3Å
59	K	94.8	Very high	96	Very high	52 Å²	52	67.1 Å²	67.1	23%	0.226	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-39.1	174.4	-171.2	165.1	-167.2	167.5	0	112.8	F56 K57 L75 S76 D82	F56-K59 PolarHBondContact O-N 3.25Å; K57-K59 VanDerWaalsContact C-N 3.26Å; K57-K59 PolarHBondContact O-N 2.8Å; K59-L75 WeakPolarHBondContact O-CA 3.32Å; K59-S76 PolarHBondContact O-N 2.86Å; K59-D82 VanDerWaalsContact CE-OD1 3.29Å; K59-D82 WeakPolarHBondContact CE-OD1 2.99Å; K59-D82 WeakPolarHBondContact CE-OD2 3.45Å; K59-D82 IonicContact NZ-OD1 3.32Å; K59-D82 PolarHBondContact NZ-OD1 2.82Å; K59-D82 IonicContact NZ-OD2 3.99Å; K59-D82 PolarHBondContact NZ-OD2 2.9Å
60	A	97.1	Very high	96	Very high	3 Å²	3	63.6 Å²	63.6	3%	0.025	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	138.9	177.4	0	0	0	0	0	110.8	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.74Å; Y52-A60 HydrophobicContact CE1-CB 4.36Å; Y52-A60 VanDerWaalsContact CE1-O 3.3Å; Y52-A60 WeakPolarHBondContact CE1-O 3.48Å; F56-A60 HydrophobicContact CB-CB 4.44Å; F56-A60 PolarHBondContact O-N 3.39Å; A60-M73 HydrophobicContact CB-CG 4.37Å; A60-M73 HydrophobicContact CB-SD 4.5Å; A60-Q74 CarbonylContact C-O 3.57Å; A60-Q74 WeakPolarHBondContact CA-O 3.35Å; A60-L75 HydrophobicContact CB-CD2 3.84Å
61	I	97.9	Very high	96	Very high	84 Å²	84	61.2 Å²	61.2	43%	0.431	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	119.5	168.6	-60.4	173.9	0	0	0	107.4	T63 M73 Q74	I61-T63 HydrophobicContact CG2-CG2 4.23Å; I61-M73 WeakPolarHBondContact O-CA 3.48Å; I61-Q74 HydrophobicContact CB-CB 4.38Å; I61-Q74 PolarHBondContact N-O 3.36Å; I61-Q74 PolarHBondContact O-N 3.12Å
62	L	98.3	Very high	96	Very high	8 Å²	8	58.1 Å²	58.1	4%	0.042	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	131.5	177.3	-52	-175.7	0	0	0	109.9	W28 I43 T50 Y52 H72 M73	W28-L62 HydrophobicContact CB-CD2 4.49Å; W28-L62 VanDerWaalsContact CD1-CD2 3.49Å; W28-L62 HydrophobicContact CG-CD2 3.98Å; I43-L62 HydrophobicContact CB-CB 4.08Å; I43-L62 HydrophobicContact CB-CD1 4.5Å; I43-L62 HydrophobicContact CD1-CB 4.44Å; I43-L62 HydrophobicContact CG2-CB 4.36Å; T50-L62 HydrophobicContact CG2-CB 4.15Å; Y52-L62 HydrophobicContact CE1-CD1 4.04Å; Y52-L62 HydrophobicContact CE1-CG 3.71Å; Y52-L62 PolarHBondContact OH-N 2.78Å; L62-H72 WeakPolarHBondContact CA-O 3.13Å; L62-M73 HydrophobicContact CD2-CB 3.73Å; L62-M73 HydrophobicContact CD2-CG 3.63Å; L62-M73 HydrophobicContact CD2-SD 4.24Å
63	T	98.1	Very high	96.1	Very high	63 Å²	63	55.5 Å²	55.5	39%	0.387	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	161.4	175	54.6	0	0	0	0	110.1	I61 H72	I61-T63 HydrophobicContact CG2-CG2 4.23Å; T63-H72 PolarHBondContact N-O 3.05Å; T63-H72 PolarHBondContact O-N 2.8Å; T63-H72 WeakPolarHBondContact OG1-CB 3.36Å
64	A	97.8	Very high	96.1	Very high	34 Å²	34	57 Å²	57	28%	0.281	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	136.8	176.9	0	0	0	0	0	110.7	F21 I43 P45 T70	F21-A64 HydrophobicContact CE1-CB 4.07Å; F21-A64 HydrophobicContact CZ-CB 4.05Å; I43-A64 HydrophobicContact CD1-CB 3.91Å; P45-A64 HydrophobicContact CB-CB 3.76Å; P45-A64 HydrophobicContact CG-CB 4.1Å; A64-T70 WeakPolarHBondContact CA-O 3.26Å
65	D	96.9	Very high	96.3	Very high	60 Å²	60	54.1 Å²	54.1	32%	0.321	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	110.3	171.4	173.6	11.3	0	0	0	109	S67 S68 S69 T70	D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 PolarHBondContact O-N 3.3Å; D65-S67 WeakPolarHBondContact OD1-CB 3.25Å; D65-S67 PolarHBondContact OD1-N 2.89Å; D65-S67 PolarHBondContact OD1-OG 2.83Å; D65-S67 PolarHBondContact OD2-OG 2.82Å; D65-S68 VanDerWaalsContact OD2-CB 3.3Å; D65-S68 WeakPolarHBondContact OD2-CB 3.09Å; D65-S68 PolarHBondContact OD2-OG 2.81Å; D65-S69 WeakPolarHBondContact O-CA 3.4Å; D65-S69 PolarHBondContact O-N 2.97Å; D65-S69 VanDerWaalsContact O-N 3.08Å; D65-T70 PolarHBondContact N-O 2.84Å; D65-T70 PolarHBondContact O-N 2.93Å
66	K	95.3	Very high	96.4	Very high	117 Å²	117	48 Å²	48	51%	0.509	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-32	-178.3	-51.6	-176.9	-150.8	-171.3	0	111.7	P45 G46 S69	P45-K66 WeakPolarHBondContact O-CD 3.41Å; P45-K66 WeakPolarHBondContact O-CE 3.38Å; G46-K66 PolarHBondContact O-NZ 2.66Å; K66-S69 PolarHBondContact O-N 2.88Å
67	S	94.4	Very high	96.5	Very high	107 Å²	107	51.4 Å²	51.4	75%	0.748	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-41.5	-175.9	71.9	0	0	0	0	111.6	D65	D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 PolarHBondContact O-N 3.3Å; D65-S67 WeakPolarHBondContact OD1-CB 3.25Å; D65-S67 PolarHBondContact OD1-N 2.89Å; D65-S67 PolarHBondContact OD1-OG 2.83Å; D65-S67 PolarHBondContact OD2-OG 2.82Å
68	S	96.4	Very high	96.6	Very high	41 Å²	41	43.6 Å²	43.6	29%	0.287	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-2.9	177.4	67.2	0	0	0	0	113.8	D65 T70	D65-S68 VanDerWaalsContact OD2-CB 3.3Å; D65-S68 WeakPolarHBondContact OD2-CB 3.09Å; D65-S68 PolarHBondContact OD2-OG 2.81Å; S68-T70 VanDerWaalsContact C-N 3.27Å; S68-T70 PolarHBondContact O-N 3.05Å; S68-T70 PolarHBondContact O-OG1 2.93Å; S68-T70 WeakPolarHBondContact OG-CB 3.49Å; S68-T70 PolarHBondContact OG-OG1 3.05Å
69	S	96.9	Very high	96.7	Very high	37 Å²	37	42.7 Å²	42.7	26%	0.259	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	42.8	-171.4	-62.9	0	0	0	0	112.7	A16 D65 K66	A16-S69 WeakPolarHBondContact CB-O 3.28Å; A16-S69 PolarHBondContact N-O 2.99Å; D65-S69 WeakPolarHBondContact O-CA 3.4Å; D65-S69 PolarHBondContact O-N 2.97Å; D65-S69 VanDerWaalsContact O-N 3.08Å; K66-S69 PolarHBondContact O-N 2.88Å
70	T	97.9	Very high	96.7	Very high	16 Å²	16	44.5 Å²	44.5	10%	0.098	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.2	-174.4	-50.2	0	0	0	0	110.8	C14 A64 D65 S68 H72	C14-T70 CarbonylContact O-C 3.59Å; C14-T70 WeakPolarHBondContact O-CA 3.47Å; A64-T70 WeakPolarHBondContact CA-O 3.26Å; D65-T70 PolarHBondContact N-O 2.84Å; D65-T70 PolarHBondContact O-N 2.93Å; S68-T70 VanDerWaalsContact C-N 3.27Å; S68-T70 PolarHBondContact O-N 3.05Å; S68-T70 PolarHBondContact O-OG1 2.93Å; S68-T70 WeakPolarHBondContact OG-CB 3.49Å; S68-T70 PolarHBondContact OG-OG1 3.05Å; T70-H72 WeakPolarHBondContact CG2-CE1 2.99Å
71	A	97.9	Very high	96.4	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	146.5	165.7	0	0	0	0	0	109.7	S13 C14 F21 M26 W28	S13-A71 CarbonylContact C-O 3.58Å; S13-A71 WeakPolarHBondContact CA-O 3.2Å; C14-A71 PolarHBondContact N-O 3.27Å; C14-A71 PolarHBondContact O-N 3.06Å; F21-A71 HydrophobicContact CE2-CB 4.15Å; F21-A71 HydrophobicContact CZ-CB 3.89Å; M26-A71 HydrophobicContact CB-CB 4.15Å; M26-A71 HydrophobicContact CG-CB 3.63Å; W28-A71 HydrophobicContact CZ2-CB 4.09Å
72	H	98.1	Very high	96.3	Very high	25 Å²	25	46.8 Å²	46.8	12%	0.116	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	145.5	175.9	-53.3	-76.1	0	0	0	111.3	K11 I12 S13 L62 T63 T70	K11-H72 VanDerWaalsContact CE-CB 3.44Å; K11-H72 VanDerWaalsContact CE-ND1 3.3Å; K11-H72 WeakPolarHBondContact CE-ND1 3.23Å; K11-H72 HydrophobicContact CG-CB 4.31Å; I12-H72 CarbonylContact O-C 3.4Å; I12-H72 VanDerWaalsContact O-CA 3.23Å; I12-H72 WeakPolarHBondContact O-CA 3.35Å; S13-H72 WeakPolarHBondContact CB-ND1 3.33Å; S13-H72 PolarHBondContact OG-CE1 3.37Å; S13-H72 PolarHBondContact OG-ND1 3.32Å; L62-H72 WeakPolarHBondContact CA-O 3.13Å; T63-H72 PolarHBondContact N-O 3.05Å; T63-H72 PolarHBondContact O-N 2.8Å; T63-H72 WeakPolarHBondContact OG1-CB 3.36Å; T70-H72 WeakPolarHBondContact CG2-CE1 2.99Å
73	M	98.1	Very high	96.2	Very high	0 Å²	0	48 Å²	48	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	119.8	166.7	175.8	-179.5	69.5	0	0	108.4	I12 W28 I40 A60 I61 L62 L75 Y86	I12-M73 HydrophobicContact CB-CE 4.47Å; I12-M73 HydrophobicContact CD1-CE 3.66Å; I12-M73 HydrophobicContact CG1-CE 4.31Å; I12-M73 PolarHBondContact N-O 3.48Å; I12-M73 PolarHBondContact O-N 2.66Å; W28-M73 HydrophobicContact CB-SD 3.91Å; W28-M73 HydrophobicContact CD2-CB 3.6Å; W28-M73 HydrophobicContact CD2-CE 4.43Å; W28-M73 HydrophobicContact CD2-CG 4.41Å; W28-M73 HydrophobicContact CD2-SD 4.09Å; W28-M73 HydrophobicContact CE3-CB 3.8Å; W28-M73 HydrophobicContact CE3-CE 3.81Å; W28-M73 HydrophobicContact CE3-SD 4.06Å; W28-M73 HydrophobicContact CG-CB 4.14Å; W28-M73 HydrophobicContact CG-SD 4.05Å; W28-M73 HydrophobicContact CH2-CB 4.05Å; W28-M73 HydrophobicContact CZ2-CB 3.87Å; W28-M73 HydrophobicContact CZ3-CB 4.02Å; W28-M73 HydrophobicContact CZ3-CE 4.28Å; I40-M73 HydrophobicContact CD1-CE 4.03Å; I40-M73 HydrophobicContact CD1-SD 3.55Å; I40-M73 VanDerWaalsContact CD1-SD 3.55Å; I40-M73 HydrophobicContact CG2-SD 4Å; A60-M73 HydrophobicContact CB-CG 4.37Å; A60-M73 HydrophobicContact CB-SD 4.5Å; I61-M73 WeakPolarHBondContact O-CA 3.48Å; L62-M73 HydrophobicContact CD2-CB 3.73Å; L62-M73 HydrophobicContact CD2-CG 3.63Å; L62-M73 HydrophobicContact CD2-SD 4.24Å; M73-L75 HydrophobicContact CE-CD1 3.86Å; M73-L75 HydrophobicContact CE-CD2 4.35Å; M73-L75 HydrophobicContact CE-CG 4.02Å; M73-L75 HydrophobicContact CG-CD2 4.38Å; M73-L75 HydrophobicContact CG-CG 4.32Å; M73-L75 HydrophobicContact SD-CD2 4.12Å; M73-L75 HydrophobicContact SD-CG 4.33Å; M73-Y86 HydrophobicContact CE-CD1 3.57Å; M73-Y86 HydrophobicContact CE-CE1 4.25Å; M73-Y86 HydrophobicContact CE-CG 4.03Å
74	Q	97.9	Very high	96.1	Very high	77 Å²	77	45.1 Å²	45.1	36%	0.36	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	123.2	169.5	-175.2	173.9	2.6	0	0	108.9	V10 A60 I61	V10-Q74 CarbonylContact O-C 3.46Å; V10-Q74 WeakPolarHBondContact O-CA 3.4Å; A60-Q74 CarbonylContact C-O 3.57Å; A60-Q74 WeakPolarHBondContact CA-O 3.35Å; I61-Q74 HydrophobicContact CB-CB 4.38Å; I61-Q74 PolarHBondContact N-O 3.36Å; I61-Q74 PolarHBondContact O-N 3.12Å
75	L	96.8	Very high	96.1	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	134.7	170.3	-64.3	167.6	0	0	0	108.3	S9 V10 I12 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.54Å; S9-L75 WeakPolarHBondContact CA-O 3.4Å; S9-L75 VanDerWaalsContact CB-O 3.25Å; S9-L75 WeakPolarHBondContact CB-O 3.44Å; V10-L75 HydrophobicContact CG1-CB 4.18Å; V10-L75 HydrophobicContact CG1-CD1 4.36Å; V10-L75 PolarHBondContact N-O 3.26Å; V10-L75 PolarHBondContact O-N 2.85Å; I12-L75 HydrophobicContact CD1-CD1 4.45Å; K59-L75 WeakPolarHBondContact O-CA 3.32Å; A60-L75 HydrophobicContact CB-CD2 3.84Å; M73-L75 HydrophobicContact CE-CD1 3.86Å; M73-L75 HydrophobicContact CE-CD2 4.35Å; M73-L75 HydrophobicContact CE-CG 4.02Å; M73-L75 HydrophobicContact CG-CD2 4.38Å; M73-L75 HydrophobicContact CG-CG 4.32Å; M73-L75 HydrophobicContact SD-CD2 4.12Å; M73-L75 HydrophobicContact SD-CG 4.33Å; L75-L78 HydrophobicContact CB-CD2 3.74Å; L75-L78 HydrophobicContact CD1-CD2 4.28Å; L75-Y86 HydrophobicContact CD1-CD1 4.08Å; L75-Y86 HydrophobicContact CD1-CE1 3.5Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.5Å; L75-Y86 HydrophobicContact CD1-CE2 4.12Å
76	S	95.8	Very high	96.2	Very high	30 Å²	30	42.7 Å²	42.7	21%	0.21	25%	0.252	C	S	.	.			trans	-117.3	157.4	-179.9	-66.6	0	0	0	0	112.3	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.44Å; S9-S76 WeakPolarHBondContact OG-CB 3.33Å; S9-S76 PolarHBondContact OG-OG 2.03Å; S9-S76 VanDerWaalsContact OG-OG 3.05Å; K59-S76 PolarHBondContact O-N 2.86Å; S76-L78 VanDerWaalsContact C-N 3.35Å; S76-L78 PolarHBondContact O-N 2.85Å
77	S	94.9	Very high	96.3	Very high	82 Å²	82	38.6 Å²	38.6	57%	0.573	24%	0.235	S	C	*	.	S	Bend	trans	52.9	52.5	177.2	-54.6	0	0	0	0	111.8	A8	A8-S77 PolarHBondContact O-N 2.81Å
78	L	95.3	Very high	96.5	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	20%	0.204	C	C	.	.			trans	-64	141.8	-174.9	-70.2	171.5	0	0	0	112	V4 P6 G7 A8 V10 L75 S76 D82 V102	V4-L78 HydrophobicContact CB-CD1 4.37Å; V4-L78 HydrophobicContact CG2-CD1 3.59Å; P6-L78 CarbonylContact C-O 3.53Å; P6-L78 WeakPolarHBondContact CA-O 3.22Å; G7-L78 PolarHBondContact N-O 3.48Å; A8-L78 WeakPolarHBondContact O-CB 3.29Å; A8-L78 VanDerWaalsContact O-CG 3.29Å; A8-L78 WeakPolarHBondContact O-CG 3.31Å; A8-L78 PolarHBondContact O-N 2.95Å; V10-L78 HydrophobicContact CB-CD1 3.94Å; V10-L78 HydrophobicContact CG1-CD1 3.73Å; L75-L78 HydrophobicContact CB-CD2 3.74Å; L75-L78 HydrophobicContact CD1-CD2 4.28Å; S76-L78 VanDerWaalsContact C-N 3.35Å; S76-L78 PolarHBondContact O-N 2.85Å; L78-D82 HydrophobicContact CD2-CB 3.6Å; L78-V102 HydrophobicContact CB-CG2 3.98Å
79	T	94.8	Very high	96.5	Very high	59 Å²	59	32.5 Å²	32.5	36%	0.362	19%	0.192	S	C	.	.			trans	-124.9	166.1	179.3	61.2	0	0	0	0	109.4	E81 D82 V102	T79-E81 PolarHBondContact O-N 2.85Å; T79-E81 VanDerWaalsContact O-N 3.07Å; T79-D82 PolarHBondContact N-OD2 2.79Å; T79-D82 WeakPolarHBondContact O-CB 3.17Å; T79-D82 PolarHBondContact O-N 3.25Å; T79-D82 PolarHBondContact OG1-OD2 2.85Å; T79-V102 VanDerWaalsContact O-CG2 3.24Å; T79-V102 WeakPolarHBondContact O-CG2 3.38Å
80	S	93	Very high	96.4	Very high	89 Å²	89	32.7 Å²	32.7	62%	0.622	19%	0.187	S	C	*	.	G	3₁₀ helix	trans	-52.9	-32	176.2	54.5	0	0	0	0	113.1	D82 S83	S80-D82 PolarHBondContact O-N 2.87Å; S80-S83 WeakPolarHBondContact O-CB 3Å; S80-S83 PolarHBondContact O-N 2.9Å; S80-S83 VanDerWaalsContact O-N 3.17Å; S80-S83 PolarHBondContact O-OG 2.86Å
81	E	91.8	Very high	96	Very high	131 Å²	131	35.1 Å²	35.1	61%	0.612	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-68.2	-12.1	176.5	-60.5	-169.9	177.6	0	0	114.8	K30 R32 T79	K30-E81 WeakPolarHBondContact CE-O 3.4Å; K30-E81 PolarHBondContact NZ-O 2.91Å; R32-E81 PolarHBondContact NE-O 2.8Å; R32-E81 PolarHBondContact NH2-O 2.86Å; R32-E81 IonicContact NH2-OE2 2.66Å; T79-E81 PolarHBondContact O-N 2.85Å; T79-E81 VanDerWaalsContact O-N 3.07Å
82	D	94.8	Very high	95.7	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.021	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-89	-4.9	175.9	-57.1	-55.1	0	0	0	113.5	K30 K59 L78 T79 S80 A84 Y86 V102	K30-D82 IonicContact NZ-OD1 3.56Å; K30-D82 PolarHBondContact NZ-OD1 3.05Å; K59-D82 VanDerWaalsContact CE-OD1 3.29Å; K59-D82 WeakPolarHBondContact CE-OD1 2.99Å; K59-D82 WeakPolarHBondContact CE-OD2 3.45Å; K59-D82 IonicContact NZ-OD1 3.32Å; K59-D82 PolarHBondContact NZ-OD1 2.82Å; K59-D82 IonicContact NZ-OD2 3.99Å; K59-D82 PolarHBondContact NZ-OD2 2.9Å; L78-D82 HydrophobicContact CD2-CB 3.6Å; T79-D82 PolarHBondContact N-OD2 2.79Å; T79-D82 WeakPolarHBondContact O-CB 3.17Å; T79-D82 PolarHBondContact O-N 3.25Å; T79-D82 PolarHBondContact OG1-OD2 2.85Å; S80-D82 PolarHBondContact O-N 2.87Å; D82-A84 PolarHBondContact O-N 2.85Å; D82-A84 VanDerWaalsContact O-N 3.1Å; D82-Y86 WeakPolarHBondContact O-CE2 3.33Å; D82-Y86 PolarHBondContact O-OH 3.04Å; D82-V102 HydrophobicContact CB-CG2 4.29Å
83	S	96.4	Very high	95.5	Very high	34 Å²	34	45.9 Å²	45.9	24%	0.238	28%	0.276	C	S	.	.			trans	-63.9	110.1	169.2	-61.3	0	0	0	0	110	S80 V100 V102	S80-S83 WeakPolarHBondContact O-CB 3Å; S80-S83 PolarHBondContact O-N 2.9Å; S80-S83 VanDerWaalsContact O-N 3.17Å; S80-S83 PolarHBondContact O-OG 2.86Å; S83-V100 CarbonylContact C-O 3.58Å; S83-V100 VanDerWaalsContact CA-O 3.28Å; S83-V100 WeakPolarHBondContact CA-O 3.43Å; S83-V102 PolarHBondContact OG-N 3.33Å
84	A	97.2	Very high	95.4	Very high	2 Å²	2	52 Å²	52	2%	0.017	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	168	-171.1	0	0	0	0	0	110.5	K30 Q31 R32 D82 Y86 V100	K30-A84 HydrophobicContact CD-CB 4.24Å; K30-A84 HydrophobicContact CG-CB 3.59Å; Q31-A84 WeakPolarHBondContact O-CA 3.48Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.38Å; R32-A84 HydrophobicContact CG-CB 4.19Å; D82-A84 PolarHBondContact O-N 2.85Å; D82-A84 VanDerWaalsContact O-N 3.1Å; A84-Y86 HydrophobicContact CB-CD2 4.4Å; A84-Y86 HydrophobicContact CB-CE2 3.82Å; A84-V100 PolarHBondContact N-O 3.1Å; A84-V100 PolarHBondContact O-N 3.21Å
85	V	98	Very high	95.3	Very high	41 Å²	41	49.6 Å²	49.6	25%	0.248	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	129.8	162.8	-170.6	0	0	0	0	108.4	Q31 F87 L99	Q31-V85 PolarHBondContact N-O 2.77Å; Q31-V85 PolarHBondContact O-N 2.81Å; V85-F87 HydrophobicContact CB-CE2 3.77Å; V85-F87 HydrophobicContact CB-CZ 3.92Å; V85-F87 HydrophobicContact CG1-CD1 4.49Å; V85-F87 HydrophobicContact CG1-CD2 4.22Å; V85-F87 HydrophobicContact CG1-CE1 3.83Å; V85-F87 HydrophobicContact CG1-CE2 3.52Å; V85-F87 HydrophobicContact CG1-CZ 3.3Å; V85-L99 HydrophobicContact CG2-CB 4.47Å; V85-L99 HydrophobicContact CG2-CD1 4.04Å
86	Y	98.2	Very high	95.3	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.008	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	127	178.4	-67.1	-89.4	0	0	0	110	I12 V29 K30 I40 M73 L75 D82 A84 G97 T98 V100	I12-Y86 HydrophobicContact CD1-CD1 4.39Å; I12-Y86 HydrophobicContact CD1-CD2 3.79Å; I12-Y86 HydrophobicContact CD1-CG 3.63Å; V29-Y86 CarbonylContact O-C 3.54Å; V29-Y86 WeakPolarHBondContact O-CA 3.49Å; K30-Y86 HydrophobicContact CB-CD1 4.1Å; K30-Y86 HydrophobicContact CB-CE1 3.88Å; K30-Y86 HydrophobicContact CD-CE1 3.85Å; K30-Y86 WeakPolarHBondContact CE-OH 3.4Å; K30-Y86 HydrophobicContact CG-CD1 4.23Å; K30-Y86 HydrophobicContact CG-CE1 3.68Å; I40-Y86 HydrophobicContact CD1-CD1 3.74Å; I40-Y86 HydrophobicContact CD1-CE1 3.91Å; M73-Y86 HydrophobicContact CE-CD1 3.57Å; M73-Y86 HydrophobicContact CE-CE1 4.25Å; M73-Y86 HydrophobicContact CE-CG 4.03Å; L75-Y86 HydrophobicContact CD1-CD1 4.08Å; L75-Y86 HydrophobicContact CD1-CE1 3.5Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.5Å; L75-Y86 HydrophobicContact CD1-CE2 4.12Å; D82-Y86 WeakPolarHBondContact O-CE2 3.33Å; D82-Y86 PolarHBondContact O-OH 3.04Å; A84-Y86 HydrophobicContact CB-CD2 4.4Å; A84-Y86 HydrophobicContact CB-CE2 3.82Å; Y86-G97 CarbonylContact O-C 3.6Å; Y86-G97 VanDerWaalsContact O-CA 3.27Å; Y86-G97 WeakPolarHBondContact O-CA 3.5Å; Y86-T98 PolarHBondContact N-O 2.64Å; Y86-T98 PolarHBondContact O-N 2.85Å; Y86-V100 HydrophobicContact CD2-CB 3.98Å; Y86-V100 HydrophobicContact CD2-CG2 3.67Å; Y86-V100 HydrophobicContact CE2-CB 3.81Å; Y86-V100 HydrophobicContact CE2-CG2 3.94Å
87	F	98.2	Very high	95.3	Very high	32 Å²	32	59 Å²	59	14%	0.14	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	145.5	-177.9	-59.4	-87.3	0	0	0	110.5	W28 V29 Q31 V85 W94	W28-F87 WeakPolarHBondContact CA-O 3.29Å; V29-F87 HydrophobicContact CB-CB 4.5Å; V29-F87 PolarHBondContact N-O 2.61Å; V29-F87 PolarHBondContact O-N 3.5Å; Q31-F87 HydrophobicContact CB-CD2 4.4Å; Q31-F87 HydrophobicContact CB-CE2 3.81Å; V85-F87 HydrophobicContact CB-CE2 3.77Å; V85-F87 HydrophobicContact CB-CZ 3.92Å; V85-F87 HydrophobicContact CG1-CD1 4.49Å; V85-F87 HydrophobicContact CG1-CD2 4.22Å; V85-F87 HydrophobicContact CG1-CE1 3.83Å; V85-F87 HydrophobicContact CG1-CE2 3.52Å; V85-F87 HydrophobicContact CG1-CZ 3.3Å; F87-W94 HydrophobicContact CB-CE3 3.77Å; F87-W94 HydrophobicContact CB-CZ3 3.91Å; F87-W94 HydrophobicContact CG-CE3 4.18Å; F87-W94 HydrophobicContact CG-CZ3 4.38Å
88	C	97.6	Very high	95.4	Very high	14 Å²	14	56.9 Å²	56.9	10%	0.095	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	148.2	158.3	61.9	0	0	0	0	109.5	C14 M26 N27 W28 G95	C14-C88 HydrophobicContact CB-CB 3.43Å; C14-C88 VanDerWaalsContact CB-CB 3.43Å; C14-C88 WeakPolarHBondContact CB-SG 3.11Å; C14-C88 WeakPolarHBondContact SG-CB 3.31Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.82Å; M26-C88 HydrophobicContact CG-CB 4.41Å; M26-C88 HydrophobicContact SD-CB 3.74Å; N27-C88 CarbonylContact O-C 3.55Å; N27-C88 WeakPolarHBondContact O-CA 3.43Å; W28-C88 HydrophobicContact CD2-CB 4.48Å; W28-C88 HydrophobicContact CE3-CB 4.25Å; W28-C88 HydrophobicContact CH2-CB 4.27Å; W28-C88 HydrophobicContact CZ2-CB 4.47Å; W28-C88 HydrophobicContact CZ3-CB 4.15Å; C88-G95 PolarHBondContact O-N 3.21Å
89	A	97.5	Very high	95.5	Very high	6 Å²	6	60.8 Å²	60.8	5%	0.05	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	148.3	179.9	0	0	0	0	0	112.7	N27 Y93 W94	N27-A89 HydrophobicContact CB-CB 4.37Å; N27-A89 WeakPolarHBondContact CB-O 3.19Å; N27-A89 PolarHBondContact N-O 3.17Å; N27-A89 PolarHBondContact O-N 3.05Å; A89-Y93 CarbonylContact C-O 3.38Å; A89-Y93 VanDerWaalsContact CA-O 3.26Å; A89-Y93 WeakPolarHBondContact CA-O 3.46Å; A89-W94 HydrophobicContact CB-CD2 3.78Å; A89-W94 HydrophobicContact CB-CE3 3.88Å; A89-W94 HydrophobicContact CB-CG 4.27Å; A89-W94 HydrophobicContact CB-CH2 4.34Å; A89-W94 HydrophobicContact CB-CZ2 4.26Å; A89-W94 HydrophobicContact CB-CZ3 4.16Å
90	R	95.2	Very high	95.6	Very high	41 Å²	41	58 Å²	58	16%	0.155	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	102.2	171	-177.9	-156.2	67.7	166.5	-1.4	108.5	Y19 Y24 A92 Y93	Y19-R90 VanDerWaalsContact CB-NH1 3.26Å; Y24-R90 HydrophobicContact CD1-CG 4.42Å; Y24-R90 HydrophobicContact CG-CG 4.32Å; R90-A92 PolarHBondContact O-N 3.42Å; R90-Y93 PolarHBondContact N-O 3.08Å; R90-Y93 WeakPolarHBondContact O-CB 3.38Å; R90-Y93 WeakPolarHBondContact O-CD2 3.3Å; R90-Y93 PolarHBondContact O-N 2.98Å
91	G	89.3	Confident	95.8	Very high	67 Å²	67	56.4 Å²	56.4	69%	0.691	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	-123.8	-174.2	0	0	0	0	0	111.1	Y93	G91-Y93 VanDerWaalsContact C-N 3.3Å; G91-Y93 PolarHBondContact O-N 3.38Å
92	A	91.3	Very high	95.9	Very high	92 Å²	92	50.6 Å²	50.6	76%	0.76	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-4.2	177.8	0	0	0	0	0	114.5	R90	R90-A92 PolarHBondContact O-N 3.42Å
93	Y	94.2	Very high	95.7	Very high	159 Å²	159	52.3 Å²	52.3	62%	0.624	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	125.7	-177.6	-58	-87.6	0	0	0	110.7	A89 R90 G91	A89-Y93 CarbonylContact C-O 3.38Å; A89-Y93 VanDerWaalsContact CA-O 3.26Å; A89-Y93 WeakPolarHBondContact CA-O 3.46Å; R90-Y93 PolarHBondContact N-O 3.08Å; R90-Y93 WeakPolarHBondContact O-CB 3.38Å; R90-Y93 WeakPolarHBondContact O-CD2 3.3Å; R90-Y93 PolarHBondContact O-N 2.98Å; G91-Y93 VanDerWaalsContact C-N 3.3Å; G91-Y93 PolarHBondContact O-N 3.38Å
94	W	96.5	Very high	94.6	Very high	128 Å²	128	58.2 Å²	58.2	49%	0.485	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	142.7	-177.5	-68.6	76	0	0	0	111.1	V29 L37 F87 A89	V29-W94 HydrophobicContact CB-CH2 4.29Å; V29-W94 HydrophobicContact CB-CZ3 3.95Å; V29-W94 HydrophobicContact CG1-CH2 4.25Å; V29-W94 HydrophobicContact CG1-CZ3 4.16Å; V29-W94 HydrophobicContact CG2-CH2 3.88Å; V29-W94 HydrophobicContact CG2-CZ3 3.9Å; L37-W94 HydrophobicContact CD1-CH2 3.88Å; L37-W94 HydrophobicContact CD1-CZ2 4.45Å; L37-W94 HydrophobicContact CD1-CZ3 4.46Å; F87-W94 HydrophobicContact CB-CE3 3.77Å; F87-W94 HydrophobicContact CB-CZ3 3.91Å; F87-W94 HydrophobicContact CG-CE3 4.18Å; F87-W94 HydrophobicContact CG-CZ3 4.38Å; A89-W94 HydrophobicContact CB-CD2 3.78Å; A89-W94 HydrophobicContact CB-CE3 3.88Å; A89-W94 HydrophobicContact CB-CG 4.27Å; A89-W94 HydrophobicContact CB-CH2 4.34Å; A89-W94 HydrophobicContact CB-CZ2 4.26Å; A89-W94 HydrophobicContact CB-CZ3 4.16Å
95	G	95.7	Very high	94.5	Very high	27 Å²	27	61.1 Å²	61.1	28%	0.278	37%	0.37	S	S	.	.			trans	-70.8	164.6	166.8	0	0	0	0	0	111.6	C88 G97	C88-G95 PolarHBondContact O-N 3.21Å; G95-G97 PolarHBondContact O-N 2.95Å; G95-G97 VanDerWaalsContact O-N 3.12Å
96	Q	95.1	Very high	94.3	Very high	200 Å²	200	62.1 Å²	62.1	94%	0.935	38%	0.377	S	S	*	.			trans	-61.9	-20.8	178.6	-67.9	-179.1	-26.2	0	0	113.6
97	G	96	Very high	94.1	Very high	27 Å²	27	65.4 Å²	65.4	28%	0.278	40%	0.397	S	S	.	.			trans	85.7	148.8	-176.6	0	0	0	0	0	112.6	Y86 G95	Y86-G97 CarbonylContact O-C 3.6Å; Y86-G97 VanDerWaalsContact O-CA 3.27Å; Y86-G97 WeakPolarHBondContact O-CA 3.5Å; G95-G97 PolarHBondContact O-N 2.95Å; G95-G97 VanDerWaalsContact O-N 3.12Å
98	T	97.4	Very high	93.8	Very high	38 Å²	38	67.4 Å²	67.4	23%	0.233	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	113.4	177	-60.9	0	0	0	0	108.5	E2 I12 Y86 V100	E2-T98 HydrophobicContact CG-CG2 4.25Å; I12-T98 HydrophobicContact CG2-CG2 4.28Å; Y86-T98 PolarHBondContact N-O 2.64Å; Y86-T98 PolarHBondContact O-N 2.85Å; T98-V100 HydrophobicContact CG2-CG2 4.35Å; T98-V100 PolarHBondContact O-N 2.91Å
99	L	97.4	Very high	93.6	Very high	83 Å²	83	70.8 Å²	70.8	44%	0.435	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	121.2	169	177.1	64	0	0	0	109	A1 E2 V85	A1-L99 CarbonylContact C-O 3.52Å; A1-L99 WeakPolarHBondContact CA-O 3.27Å; A1-L99 HydrophobicContact CB-CB 4Å; A1-L99 HydrophobicContact CB-CD2 4.41Å; A1-L99 HydrophobicContact CB-CG 4.45Å; E2-L99 PolarHBondContact N-O 3.49Å; V85-L99 HydrophobicContact CG2-CB 4.47Å; V85-L99 HydrophobicContact CG2-CD1 4.04Å
100	V	96.6	Very high	93.4	Very high	0 Å²	0	75.1 Å²	75.1	0%	0	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	129.5	168.3	178.7	0	0	0	0	107.4	E2 V4 V10 I12 S83 A84 Y86 T98	E2-V100 HydrophobicContact CB-CG2 4.27Å; E2-V100 CarbonylContact O-C 3.54Å; E2-V100 WeakPolarHBondContact O-CA 3.47Å; V4-V100 HydrophobicContact CG2-CG1 4.08Å; V10-V100 HydrophobicContact CG1-CG1 4.31Å; V10-V100 HydrophobicContact CG1-CG2 4.38Å; I12-V100 HydrophobicContact CD1-CG2 3.75Å; I12-V100 HydrophobicContact CG1-CG2 4.46Å; S83-V100 CarbonylContact C-O 3.58Å; S83-V100 VanDerWaalsContact CA-O 3.28Å; S83-V100 WeakPolarHBondContact CA-O 3.43Å; A84-V100 PolarHBondContact N-O 3.1Å; A84-V100 PolarHBondContact O-N 3.21Å; Y86-V100 HydrophobicContact CD2-CB 3.98Å; Y86-V100 HydrophobicContact CD2-CG2 3.67Å; Y86-V100 HydrophobicContact CE2-CB 3.81Å; Y86-V100 HydrophobicContact CE2-CG2 3.94Å; T98-V100 HydrophobicContact CG2-CG2 4.35Å; T98-V100 PolarHBondContact O-N 2.91Å
101	T	96.6	Very high	93.2	Very high	56 Å²	56	77.5 Å²	77.5	34%	0.344	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	123.3	175.9	-55.7	0	0	0	0	108.5	E2 L3 V4	E2-T101 PolarHBondContact O-N 2.62Å; L3-T101 WeakPolarHBondContact CA-O 3.35Å; L3-T101 HydrophobicContact CD1-CG2 4.03Å; V4-T101 PolarHBondContact N-O 3.27Å
102	V	95.2	Very high	93.5	Very high	9 Å²	9	78.3 Å²	78.3	6%	0.055	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	118.8	173.5	-170.8	0	0	0	0	107.5	V4 P6 L78 T79 D82 S83	V4-V102 HydrophobicContact CG2-CB 4.32Å; V4-V102 HydrophobicContact CG2-CG1 4.48Å; V4-V102 HydrophobicContact CG2-CG2 3.82Å; V4-V102 CarbonylContact O-C 3.48Å; V4-V102 VanDerWaalsContact O-CA 3.31Å; V4-V102 WeakPolarHBondContact O-CA 3.04Å; P6-V102 HydrophobicContact CB-CG1 4.42Å; P6-V102 HydrophobicContact CG-CG1 4.08Å; L78-V102 HydrophobicContact CB-CG2 3.98Å; T79-V102 VanDerWaalsContact O-CG2 3.24Å; T79-V102 WeakPolarHBondContact O-CG2 3.38Å; D82-V102 HydrophobicContact CB-CG2 4.29Å; S83-V102 PolarHBondContact OG-N 3.33Å
103	S	89.9	Confident	93.7	Very high	41 Å²	41	77.2 Å²	77.2	29%	0.287	44%	0.438	S	S	.	.			trans	-62.6	149.1	178.8	69.2	0	0	0	0	110.4	V4 P6	V4-S103 PolarHBondContact O-N 2.73Å; P6-S103 VanDerWaalsContact CD-O 3.23Å; P6-S103 WeakPolarHBondContact CD-O 3.3Å; P6-S103 WeakPolarHBondContact CG-O 3.4Å
104	A	74.1	Confident	93.7	Very high	158 Å²	158	69.7 Å²	69.7	100%	1.306	42%	0.421	S	S	*	.			trans	-64.4	0	167.8	0	0	0	0	0	111.1

Retrieved 104 of 104 residues in 23.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).