X5J4F1_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4F1, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 111 aa.

						>X5J4F1_MOUSE|X5J4F1
SGGGLVKPGGSLKLSCAASGFTFSDYGMHWVRQAPEKGLEWVAYISSGSSTIYYADTVKGRFTISRDNAKNTLFLQMTSLRSEDTAMYYCARSLDYWGQGTTLTVSSESQS
					

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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	S	57.9	Low	85.1	Confident	114 Å²	114	60.5 Å²	60.5	80%	0.797	42%	0.422	S	S	*	.				0	127.6	0	-44.1	0	0	0	0	109.4	S15	S1-S15 WeakPolarHBondContact CA-O 3.35Å; S1-S15 PolarHBondContact N-O 3.14Å; S1-S15 PolarHBondContact N-OG 2.99Å
2	G	66.7	Low	86	Confident	30 Å²	30	58.6 Å²	58.6	31%	0.309	40%	0.403	S	S	.	.			trans	-129.8	23.2	177.6	0	0	0	0	0	112	L12	G2-L12 WeakPolarHBondContact O-CD1 3.18Å; G2-L12 WeakPolarHBondContact O-CD2 3.11Å
3	G	67.5	Low	86.9	Confident	31 Å²	31	61.8 Å²	61.8	32%	0.32	41%	0.405	S	S	.	.			trans	-60.6	155	176.4	0	0	0	0	0	111.7	T101 T102	G3-T101 WeakPolarHBondContact CA-OG1 3.43Å; G3-T101 PolarHBondContact N-OG1 3.03Å; G3-T102 CarbonylContact C-O 3.59Å; G3-T102 VanDerWaalsContact CA-O 3.3Å; G3-T102 WeakPolarHBondContact CA-O 3.36Å
4	G	85.5	Confident	87.6	Confident	30 Å²	30	57.4 Å²	57.4	31%	0.309	38%	0.376	S	S	.	.			trans	172.6	-178.3	-175	0	0	0	0	0	112.9	T102 T104	G4-T102 PolarHBondContact N-O 3.36Å; G4-T104 PolarHBondContact O-N 2.98Å; G4-T104 VanDerWaalsContact O-N 3.07Å
5	L	88.3	Confident	88.3	Confident	73 Å²	73	55.7 Å²	55.7	38%	0.382	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	130	174.4	179.5	64.7	0	0	0	109.8	T104 Q110	L5-T104 CarbonylContact C-O 3.53Å; L5-T104 WeakPolarHBondContact CA-O 3.25Å; L5-T104 HydrophobicContact CD1-CG2 3.71Å; L5-Q110 HydrophobicContact CD2-CG 3.75Å
6	V	93.2	Very high	88.8	Confident	25 Å²	25	53.2 Å²	53.2	15%	0.152	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	147.4	176.7	-121.2	0	0	0	0	109.5	L12 L80 L103 T104 V105 S106	V6-L12 HydrophobicContact CG2-CB 4.43Å; V6-L12 HydrophobicContact CG2-CD2 4.3Å; V6-L80 HydrophobicContact CB-CD1 4.2Å; V6-L80 HydrophobicContact CG2-CD1 3.78Å; V6-L103 HydrophobicContact CG2-CD1 3.5Å; V6-T104 PolarHBondContact N-O 3.06Å; V6-V105 VanDerWaalsContact O-CA 3.26Å; V6-V105 WeakPolarHBondContact O-CA 3.28Å; V6-S106 PolarHBondContact O-N 2.77Å; V6-S106 VanDerWaalsContact O-N 3.1Å
7	K	93.6	Very high	89.2	Confident	149 Å²	149	54.7 Å²	54.7	65%	0.648	37%	0.368	S	S	*	.			trans	-75.3	151.6	172.9	-67.9	-173.5	178.5	-176.2	0	110.6	G10	K7-G10 WeakPolarHBondContact O-CA 3.34Å; K7-G10 PolarHBondContact O-N 3.27Å
8	P	96	Very high	89.4	Confident	69 Å²	69	52.3 Å²	52.3	45%	0.448	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	141.1	169	-26.1	33.9	0	0	0	111.9	G10 V105	P8-G10 PolarHBondContact O-N 3.03Å; P8-V105 HydrophobicContact CB-CG1 4.39Å; P8-V105 HydrophobicContact CG-CG1 4.11Å
9	G	95.8	Very high	89.5	Confident	56 Å²	56	53.9 Å²	53.9	58%	0.577	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	-11.4	-172.4	0	0	0	0	0	114.5	L80	G9-L80 PolarHBondContact N-O 2.78Å
10	G	95.6	Very high	89.6	Confident	22 Å²	22	55.6 Å²	55.6	23%	0.227	39%	0.391	C	S	.	.			trans	-67.7	177.9	178.9	0	0	0	0	0	114.1	K7 P8 S79 L80	K7-G10 WeakPolarHBondContact O-CA 3.34Å; K7-G10 PolarHBondContact O-N 3.27Å; P8-G10 PolarHBondContact O-N 3.03Å; G10-S79 PolarHBondContact O-N 2.94Å; G10-L80 WeakPolarHBondContact O-CB 3.31Å; G10-L80 PolarHBondContact O-N 3.31Å; G10-L80 VanDerWaalsContact O-N 3.07Å
11	S	96.2	Very high	89.7	Confident	67 Å²	67	54.4 Å²	54.4	47%	0.469	38%	0.379	S	S	.	.			trans	-132	147.5	177.6	-60.7	0	0	0	0	110.8	M77 T78	S11-M77 CarbonylContact C-O 3.52Å; S11-M77 WeakPolarHBondContact CA-O 3.2Å; S11-M77 VanDerWaalsContact CB-O 3.32Å; S11-M77 WeakPolarHBondContact CB-O 3.07Å; S11-T78 WeakPolarHBondContact OG-CA 3.21Å
12	L	95.9	Very high	91.4	Very high	37 Å²	37	52.8 Å²	52.8	19%	0.194	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	153.7	175.9	-168.9	68.9	0	0	0	109.9	G2 V6 L14 Q76 M77 L80 L103	G2-L12 WeakPolarHBondContact O-CD1 3.18Å; G2-L12 WeakPolarHBondContact O-CD2 3.11Å; V6-L12 HydrophobicContact CG2-CB 4.43Å; V6-L12 HydrophobicContact CG2-CD2 4.3Å; L12-L14 HydrophobicContact CD2-CD2 3.76Å; L12-L14 HydrophobicContact CG-CD2 4.42Å; L12-Q76 PolarHBondContact O-NE2 3.02Å; L12-M77 PolarHBondContact N-O 3.07Å; L12-M77 PolarHBondContact O-N 3.45Å; L12-L80 HydrophobicContact CB-CD1 4.15Å; L12-L103 HydrophobicContact CB-CD1 4.48Å; L12-L103 HydrophobicContact CD2-CD1 3.29Å
13	K	97.1	Very high	92.8	Very high	100 Å²	100	51.4 Å²	51.4	44%	0.435	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	114.2	171	-170.6	175.3	179.5	177.3	0	110.2	F74 L75	K13-F74 VanDerWaalsContact CE-CD1 3.47Å; K13-L75 WeakPolarHBondContact CA-O 3.49Å
14	L	97.6	Very high	94.2	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	150	170.7	-58.1	-177.6	0	0	0	110.4	L12 W30 F74 L75 M77 Y88 T101	L12-L14 HydrophobicContact CD2-CD2 3.76Å; L12-L14 HydrophobicContact CG-CD2 4.42Å; L14-W30 HydrophobicContact CB-CH2 3.82Å; L14-W30 HydrophobicContact CB-CZ2 4.08Å; L14-W30 HydrophobicContact CB-CZ3 4.44Å; L14-W30 HydrophobicContact CD1-CH2 4.45Å; L14-W30 HydrophobicContact CD1-CZ3 4.26Å; L14-F74 VanDerWaalsContact O-CA 3.26Å; L14-F74 WeakPolarHBondContact O-CA 3.5Å; L14-L75 HydrophobicContact CB-CB 4.32Å; L14-L75 PolarHBondContact N-O 3.04Å; L14-L75 PolarHBondContact O-N 3.44Å; L14-M77 HydrophobicContact CD1-CE 4.34Å; L14-M77 HydrophobicContact CD1-SD 3.68Å; L14-M77 HydrophobicContact CG-CE 4.49Å; L14-M77 HydrophobicContact CG-SD 3.74Å; L14-Y88 HydrophobicContact CD1-CD1 4.05Å; L14-Y88 HydrophobicContact CD1-CD2 4.16Å; L14-Y88 HydrophobicContact CD1-CG 3.68Å; L14-T101 HydrophobicContact CD1-CG2 4.05Å; L14-T101 HydrophobicContact CD2-CG2 3.87Å; L14-T101 HydrophobicContact CG-CG2 4.43Å
15	S	97.2	Very high	94.7	Very high	33 Å²	33	55.5 Å²	55.5	23%	0.231	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	138.2	175.6	63	0	0	0	0	110.7	S1 L73	S1-S15 WeakPolarHBondContact CA-O 3.35Å; S1-S15 PolarHBondContact N-O 3.14Å; S1-S15 PolarHBondContact N-OG 2.99Å; S15-L73 CarbonylContact C-O 3.52Å; S15-L73 WeakPolarHBondContact CA-O 3.16Å
16	C	96.1	Very high	95	Very high	15 Å²	15	56.6 Å²	56.6	10%	0.101	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	114.3	173.7	162.7	0	0	0	0	109.4	W30 T72 L73 C90	C16-W30 HydrophobicContact CB-CH2 3.97Å; C16-W30 HydrophobicContact CB-CZ2 4.06Å; C16-T72 CarbonylContact O-C 3.57Å; C16-T72 WeakPolarHBondContact O-CA 3.3Å; C16-L73 HydrophobicContact CB-CB 4.45Å; C16-L73 PolarHBondContact N-O 2.94Å; C16-L73 PolarHBondContact O-N 3.25Å; C16-C90 HydrophobicContact CB-CB 3.45Å; C16-C90 VanDerWaalsContact CB-CB 3.45Å; C16-C90 WeakPolarHBondContact CB-SG 3.48Å; C16-C90 WeakPolarHBondContact SG-CB 3.1Å; C16-C90 CovalentContact SG-SG 2.01Å; C16-C90 PolarHBondContact SG-SG 3.49Å
17	A	95.5	Very high	95.2	Very high	79 Å²	79	56 Å²	56	65%	0.653	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	125	171.1	0	0	0	0	0	108.8
18	A	92.6	Very high	95.4	Very high	12 Å²	12	49 Å²	49	10%	0.099	33%	0.329	C	S	.	.			trans	-91.3	146	178	0	0	0	0	0	111	F21 F23 N71	A18-F21 HydrophobicContact CB-CE1 3.86Å; A18-F21 HydrophobicContact CB-CZ 3.69Å; A18-F23 HydrophobicContact CB-CB 4.44Å; A18-F23 HydrophobicContact CB-CD2 3.48Å; A18-F23 VanDerWaalsContact CB-CD2 3.48Å; A18-F23 HydrophobicContact CB-CE2 4.09Å; A18-F23 HydrophobicContact CB-CG 4.3Å; A18-N71 PolarHBondContact N-O 2.84Å
19	S	91.8	Very high	95.5	Very high	83 Å²	83	48.1 Å²	48.1	58%	0.58	32%	0.319	S	S	*	.			trans	-144.6	159.5	176.8	61.9	0	0	0	0	111	F21 Y96	S19-F21 VanDerWaalsContact C-N 3.32Å; S19-F21 WeakPolarHBondContact O-CD1 3.38Å; S19-F21 PolarHBondContact O-N 3.03Å; S19-Y96 PolarHBondContact O-OH 2.62Å
20	G	91.2	Very high	95.7	Very high	86 Å²	86	45.6 Å²	45.6	89%	0.887	29%	0.292	S	S	*	.	S	Bend	trans	80.9	5	177.5	0	0	0	0	0	115.7
21	F	91.5	Very high	95.8	Very high	32 Å²	32	45.1 Å²	45.1	14%	0.14	29%	0.285	C	S	.	.	S	Bend	trans	-155.5	163.3	169.3	65.2	-80.9	0	0	0	110.9	A18 S19 F23 Y26 M28 R92 Y96	A18-F21 HydrophobicContact CB-CE1 3.86Å; A18-F21 HydrophobicContact CB-CZ 3.69Å; S19-F21 VanDerWaalsContact C-N 3.32Å; S19-F21 WeakPolarHBondContact O-CD1 3.38Å; S19-F21 PolarHBondContact O-N 3.03Å; F21-F23 HydrophobicContact CE2-CB 4.34Å; F21-F23 HydrophobicContact CE2-CD2 4.25Å; F21-F23 HydrophobicContact CZ-CD2 4.26Å; F21-F23 PolarHBondContact O-N 3.33Å; F21-F23 VanDerWaalsContact O-N 3.08Å; F21-Y26 AromaticContact CD2-CD2 3.63Å; F21-Y26 HydrophobicContact CD2-CD2 3.63Å; F21-Y26 AromaticContact CD2-CE2 3.98Å; F21-Y26 HydrophobicContact CD2-CE2 3.98Å; F21-Y26 HydrophobicContact CD2-CG 4.48Å; F21-Y26 HydrophobicContact CE2-CD2 4.08Å; F21-M28 HydrophobicContact CE2-SD 4.11Å; F21-M28 HydrophobicContact CZ-CE 4.08Å; F21-M28 HydrophobicContact CZ-SD 4.01Å; F21-R92 HydrophobicContact CE2-CG 4.27Å; F21-R92 HydrophobicContact CZ-CB 4.37Å; F21-Y96 HydrophobicContact CD1-CD1 4.45Å; F21-Y96 HydrophobicContact CD1-CD2 4.31Å; F21-Y96 HydrophobicContact CD1-CE1 4.2Å; F21-Y96 AromaticContact CD1-CE2 3.98Å; F21-Y96 HydrophobicContact CD1-CE2 3.98Å; F21-Y96 AromaticContact CD1-CZ 3.94Å; F21-Y96 AromaticContact CE1-CD1 3.75Å; F21-Y96 HydrophobicContact CE1-CD1 3.75Å; F21-Y96 HydrophobicContact CE1-CD2 4.39Å; F21-Y96 AromaticContact CE1-CE1 3.44Å; F21-Y96 HydrophobicContact CE1-CE1 3.44Å; F21-Y96 VanDerWaalsContact CE1-CE1 3.44Å; F21-Y96 HydrophobicContact CE1-CE2 4.07Å; F21-Y96 HydrophobicContact CE1-CG 4.24Å; F21-Y96 AromaticContact CE1-CZ 3.6Å; F21-Y96 HydrophobicContact CZ-CD1 4.41Å; F21-Y96 HydrophobicContact CZ-CE1 4.32Å
22	T	95.1	Very high	95.8	Very high	80 Å²	80	42.5 Å²	42.5	49%	0.491	26%	0.264	S	S	.	.			trans	-73.8	95.3	174.3	-51.1	0	0	0	0	110	S24 D25 Y26	T22-S24 VanDerWaalsContact C-N 3.26Å; T22-S24 WeakPolarHBondContact CG2-OG 3.37Å; T22-S24 PolarHBondContact O-N 3.39Å; T22-D25 VanDerWaalsContact CB-OD2 3.28Å; T22-D25 WeakPolarHBondContact CB-OD2 3.47Å; T22-D25 VanDerWaalsContact CG2-OD2 3.25Å; T22-D25 WeakPolarHBondContact CG2-OD2 3.27Å; T22-D25 PolarHBondContact O-N 2.94Å; T22-D25 VanDerWaalsContact O-N 3.12Å; T22-Y26 VanDerWaalsContact O-CD2 3.29Å; T22-Y26 WeakPolarHBondContact O-CD2 3.38Å
23	F	95.5	Very high	95.9	Very high	1 Å²	1	44.4 Å²	44.4	0%	0.004	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-56	-35.6	-173.3	177.5	-99.4	0	0	0	114.2	A18 F21 D25 Y26 M28 R66 N68 N71 L73	A18-F23 HydrophobicContact CB-CB 4.44Å; A18-F23 HydrophobicContact CB-CD2 3.48Å; A18-F23 VanDerWaalsContact CB-CD2 3.48Å; A18-F23 HydrophobicContact CB-CE2 4.09Å; A18-F23 HydrophobicContact CB-CG 4.3Å; F21-F23 HydrophobicContact CE2-CB 4.34Å; F21-F23 HydrophobicContact CE2-CD2 4.25Å; F21-F23 HydrophobicContact CZ-CD2 4.26Å; F21-F23 PolarHBondContact O-N 3.33Å; F21-F23 VanDerWaalsContact O-N 3.08Å; F23-D25 PolarHBondContact O-N 2.93Å; F23-Y26 PolarHBondContact O-N 2.82Å; F23-M28 HydrophobicContact CD2-CE 4.38Å; F23-M28 HydrophobicContact CD2-CG 4.19Å; F23-M28 HydrophobicContact CD2-SD 4.1Å; F23-M28 HydrophobicContact CE2-CE 4.01Å; F23-M28 HydrophobicContact CE2-CG 3.55Å; F23-M28 HydrophobicContact CE2-SD 3.94Å; F23-M28 HydrophobicContact CZ-CG 4.05Å; F23-R66 HydrophobicContact CE1-CB 4.16Å; F23-R66 VanDerWaalsContact CE1-NH2 3.32Å; F23-R66 HydrophobicContact CZ-CB 4.17Å; F23-R66 PolarHBondContact O-NH2 3.2Å; F23-N68 WeakPolarHBondContact CE1-OD1 3.36Å; F23-N71 HydrophobicContact CB-CB 3.9Å; F23-N71 WeakPolarHBondContact CB-OD1 3.32Å; F23-N71 HydrophobicContact CD1-CB 4.49Å; F23-N71 HydrophobicContact CG-CB 4.2Å; F23-L73 HydrophobicContact CE2-CB 4.33Å; F23-L73 HydrophobicContact CZ-CB 4.2Å
24	S	96.5	Very high	95.7	Very high	45 Å²	45	40.5 Å²	40.5	32%	0.315	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-62.6	-22.6	-179.8	52.5	0	0	0	0	114	T22 Y26 S47	T22-S24 VanDerWaalsContact C-N 3.26Å; T22-S24 WeakPolarHBondContact CG2-OG 3.37Å; T22-S24 PolarHBondContact O-N 3.39Å; S24-Y26 VanDerWaalsContact C-N 3.32Å; S24-S47 WeakPolarHBondContact O-CB 3.43Å
25	D	96.1	Very high	95.2	Very high	102 Å²	102	46.3 Å²	46.3	55%	0.545	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-84.8	-12.5	-172.2	-59.9	-8.8	0	0	0	112.2	T22 F23	T22-D25 VanDerWaalsContact CB-OD2 3.28Å; T22-D25 WeakPolarHBondContact CB-OD2 3.47Å; T22-D25 VanDerWaalsContact CG2-OD2 3.25Å; T22-D25 WeakPolarHBondContact CG2-OD2 3.27Å; T22-D25 PolarHBondContact O-N 2.94Å; T22-D25 VanDerWaalsContact O-N 3.12Å; F23-D25 PolarHBondContact O-N 2.93Å
26	Y	96	Very high	94.8	Very high	95 Å²	95	53.8 Å²	53.8	37%	0.373	33%	0.328	S	S	.	.	S	Bend	trans	-120.2	148.2	-171.7	-59	-88.9	0	0	0	113	F21 T22 F23 S24 S47 R66 R92	F21-Y26 AromaticContact CD2-CD2 3.63Å; F21-Y26 HydrophobicContact CD2-CD2 3.63Å; F21-Y26 AromaticContact CD2-CE2 3.98Å; F21-Y26 HydrophobicContact CD2-CE2 3.98Å; F21-Y26 HydrophobicContact CD2-CG 4.48Å; F21-Y26 HydrophobicContact CE2-CD2 4.08Å; T22-Y26 VanDerWaalsContact O-CD2 3.29Å; T22-Y26 WeakPolarHBondContact O-CD2 3.38Å; F23-Y26 PolarHBondContact O-N 2.82Å; S24-Y26 VanDerWaalsContact C-N 3.32Å; Y26-S47 WeakPolarHBondContact O-CA 3.37Å; Y26-R66 PolarHBondContact O-NH1 2.79Å; Y26-R66 PolarHBondContact O-NH2 3.41Å; Y26-R92 HydrophobicContact CD1-CG 3.92Å; Y26-R92 HydrophobicContact CG-CG 3.79Å; Y26-R92 VanDerWaalsContact CZ-NH1 3.34Å
27	G	97.1	Very high	94.5	Very high	13 Å²	13	58.6 Å²	58.6	13%	0.134	35%	0.347	C	S	.	.			trans	-71.8	154.5	159.5	0	0	0	0	0	110.5	I45	G27-I45 CarbonylContact C-O 3.56Å; G27-I45 WeakPolarHBondContact CA-O 3.26Å
28	M	97.9	Very high	94.3	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.01	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	148.6	-174.6	-61.8	-63.3	-61	0	0	110.7	F21 F23 Y44 I45 L73 A91 R92	F21-M28 HydrophobicContact CE2-SD 4.11Å; F21-M28 HydrophobicContact CZ-CE 4.08Å; F21-M28 HydrophobicContact CZ-SD 4.01Å; F23-M28 HydrophobicContact CD2-CE 4.38Å; F23-M28 HydrophobicContact CD2-CG 4.19Å; F23-M28 HydrophobicContact CD2-SD 4.1Å; F23-M28 HydrophobicContact CE2-CE 4.01Å; F23-M28 HydrophobicContact CE2-CG 3.55Å; F23-M28 HydrophobicContact CE2-SD 3.94Å; F23-M28 HydrophobicContact CZ-CG 4.05Å; M28-Y44 WeakPolarHBondContact O-CA 3.49Å; M28-Y44 WeakPolarHBondContact O-CD2 3.15Å; M28-I45 HydrophobicContact CB-CG2 4.36Å; M28-I45 PolarHBondContact N-O 2.9Å; M28-I45 PolarHBondContact O-N 2.89Å; M28-L73 HydrophobicContact CB-CD1 3.76Å; M28-L73 HydrophobicContact CB-CD2 3.85Å; M28-L73 HydrophobicContact CB-CG 4.37Å; M28-L73 HydrophobicContact CG-CD1 4.45Å; M28-A91 CarbonylContact C-O 3.51Å; M28-A91 WeakPolarHBondContact CA-O 3.01Å; M28-R92 HydrophobicContact CE-CB 4.31Å; M28-R92 HydrophobicContact SD-CB 3.94Å; M28-R92 HydrophobicContact SD-CG 4.15Å
29	H	98.1	Very high	94.5	Very high	51 Å²	51	61.4 Å²	61.4	24%	0.236	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	149.5	-176.4	-59	-105.3	0	0	0	110.6	V31 W41 A43 Y44 C90 A91	H29-V31 HydrophobicContact CB-CG2 4.48Å; H29-W41 AromaticContact ND1-CD1 3.65Å; H29-W41 AromaticContact ND1-NE1 3.21Å; H29-W41 PolarHBondContact ND1-NE1 3.35Å; H29-A43 CarbonylContact C-O 3.58Å; H29-A43 VanDerWaalsContact CA-O 3.28Å; H29-A43 WeakPolarHBondContact CA-O 3.29Å; H29-Y44 AromaticContact CD2-CD2 3.81Å; H29-Y44 AromaticContact CE1-CD2 3.29Å; H29-Y44 WeakPolarHBondContact CE1-CD2 3.48Å; H29-Y44 AromaticContact CE1-CE2 3.91Å; H29-Y44 AromaticContact CG-CD2 3.98Å; H29-Y44 AromaticContact ND1-CD2 3.69Å; H29-Y44 AromaticContact NE2-CD2 3.35Å; H29-Y44 VanDerWaalsContact NE2-CD2 3.35Å; H29-Y44 WeakPolarHBondContact NE2-CD2 3.35Å; H29-Y44 AromaticContact NE2-CE2 3.61Å; H29-C90 CarbonylContact O-C 3.57Å; H29-C90 VanDerWaalsContact O-CA 3.31Å; H29-C90 WeakPolarHBondContact O-CA 3.46Å; H29-A91 HydrophobicContact CB-CB 4.45Å; H29-A91 PolarHBondContact N-O 2.77Å; H29-A91 PolarHBondContact O-N 3.4Å
30	W	98.1	Very high	94.7	Very high	3 Å²	3	60 Å²	60	1%	0.011	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	136.5	153.7	-79.7	98.8	0	0	0	109.2	L14 C16 V42 A43 L73 F74 L75 Y89 C90	L14-W30 HydrophobicContact CB-CH2 3.82Å; L14-W30 HydrophobicContact CB-CZ2 4.08Å; L14-W30 HydrophobicContact CB-CZ3 4.44Å; L14-W30 HydrophobicContact CD1-CH2 4.45Å; L14-W30 HydrophobicContact CD1-CZ3 4.26Å; C16-W30 HydrophobicContact CB-CH2 3.97Å; C16-W30 HydrophobicContact CB-CZ2 4.06Å; W30-V42 HydrophobicContact CB-CB 4.1Å; W30-V42 HydrophobicContact CB-CG1 4.46Å; W30-V42 WeakPolarHBondContact O-CB 3.48Å; W30-V42 PolarHBondContact O-N 2.95Å; W30-A43 PolarHBondContact N-O 3.07Å; W30-A43 PolarHBondContact O-N 3.1Å; W30-L73 HydrophobicContact CD2-CD2 4.44Å; W30-L73 HydrophobicContact CG-CD2 4.32Å; W30-L73 HydrophobicContact CZ2-CD2 4.5Å; W30-L73 VanDerWaalsContact NE1-CD2 3.32Å; W30-F74 PolarHBondContact NE1-O 2.87Å; W30-L75 HydrophobicContact CB-CD2 4.21Å; W30-L75 HydrophobicContact CD2-CB 4.16Å; W30-L75 HydrophobicContact CD2-CD2 4.19Å; W30-L75 HydrophobicContact CG-CB 4.22Å; W30-L75 HydrophobicContact CG-CD1 4.38Å; W30-L75 HydrophobicContact CG-CD2 3.96Å; W30-L75 HydrophobicContact CG-CG 4.43Å; W30-L75 HydrophobicContact CZ2-CB 4.26Å; W30-Y89 WeakPolarHBondContact CA-O 3.45Å; W30-Y89 VanDerWaalsContact CE3-O 3.29Å; W30-C90 HydrophobicContact CH2-CB 4.46Å; W30-C90 HydrophobicContact CZ3-CB 4.45Å
31	V	97.8	Very high	95	Very high	12 Å²	12	60.6 Å²	60.6	7%	0.073	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	148.3	175.8	-176.7	0	0	0	0	107.1	H29 L39 E40 Y88 Y89 W97	H29-V31 HydrophobicContact CB-CG2 4.48Å; V31-L39 HydrophobicContact CG1-CB 3.96Å; V31-L39 HydrophobicContact CG1-CD2 3.86Å; V31-L39 HydrophobicContact CG1-CG 4.46Å; V31-E40 CarbonylContact C-O 3.55Å; V31-E40 WeakPolarHBondContact CA-O 3.49Å; V31-E40 VanDerWaalsContact CG1-O 3.3Å; V31-E40 WeakPolarHBondContact CG1-O 3.44Å; V31-Y88 CarbonylContact O-C 3.59Å; V31-Y88 WeakPolarHBondContact O-CA 3.32Å; V31-Y89 PolarHBondContact N-O 2.68Å; V31-Y89 PolarHBondContact O-N 3.04Å; V31-W97 HydrophobicContact CB-CH2 4.01Å; V31-W97 HydrophobicContact CB-CZ3 3.67Å; V31-W97 HydrophobicContact CG1-CH2 3.82Å; V31-W97 HydrophobicContact CG1-CZ3 3.74Å; V31-W97 HydrophobicContact CG2-CH2 3.84Å; V31-W97 HydrophobicContact CG2-CZ3 3.89Å
32	R	97.3	Very high	95.3	Very high	11 Å²	11	59.1 Å²	59.1	4%	0.042	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	156.9	175.2	73.1	-178.5	-176.6	-178.1	4.7	112.1	E40 V42 D84 A86 M87 Y88	R32-E40 HydrophobicContact CG-CB 4.04Å; R32-E40 IonicContact CZ-OE2 2.93Å; R32-E40 PolarHBondContact N-O 3.17Å; R32-E40 IonicContact NE-OE2 3.04Å; R32-E40 PolarHBondContact NE-OE2 2.68Å; R32-E40 IonicContact NH2-OE2 3.33Å; R32-E40 PolarHBondContact NH2-OE2 2.89Å; R32-E40 PolarHBondContact O-N 2.9Å; R32-V42 HydrophobicContact CB-CG2 3.88Å; R32-V42 HydrophobicContact CG-CG2 3.63Å; R32-D84 IonicContact NH1-OD1 3.45Å; R32-D84 PolarHBondContact NH1-OD1 3.17Å; R32-A86 HydrophobicContact CB-CB 3.89Å; R32-A86 HydrophobicContact CG-CB 4.23Å; R32-M87 CarbonylContact C-O 3.44Å; R32-M87 WeakPolarHBondContact CA-O 3.4Å; R32-Y88 HydrophobicContact CB-CD1 3.81Å; R32-Y88 HydrophobicContact CB-CD2 4.42Å; R32-Y88 HydrophobicContact CB-CE1 3.76Å; R32-Y88 HydrophobicContact CB-CE2 4.36Å; R32-Y88 HydrophobicContact CB-CG 4.14Å; R32-Y88 WeakPolarHBondContact CD-OH 3.4Å; R32-Y88 HydrophobicContact CG-CE1 4.39Å; R32-Y88 PolarHBondContact NH1-OH 3.18Å
33	Q	96.9	Very high	95.4	Very high	78 Å²	78	55.3 Å²	55.3	36%	0.364	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	113.7	173	-168.4	177.3	17.5	0	0	109.3	K37 L39 A86 M87 Y89	Q33-K37 WeakPolarHBondContact CG-O 3.47Å; Q33-L39 HydrophobicContact CB-CD2 4.1Å; Q33-A86 WeakPolarHBondContact O-CA 3.26Å; Q33-A86 WeakPolarHBondContact O-CB 3.39Å; Q33-M87 PolarHBondContact N-O 3.22Å; Q33-M87 PolarHBondContact O-N 3.12Å; Q33-Y89 HydrophobicContact CB-CE2 3.95Å
34	A	94.5	Very high	95.6	Very high	18 Å²	18	57.9 Å²	57.9	15%	0.149	30%	0.301	C	S	.	.			trans	-79.7	155.3	171.2	0	0	0	0	0	110.1	E36 K37 A86	A34-E36 PolarHBondContact O-N 3.01Å; A34-K37 HydrophobicContact CB-CB 4.09Å; A34-K37 HydrophobicContact CB-CD 4.16Å; A34-K37 HydrophobicContact CB-CG 4.14Å; A34-K37 PolarHBondContact O-N 3.5Å; A34-A86 HydrophobicContact CB-CB 4.46Å
35	P	86.5	Confident	95.7	Very high	121 Å²	121	55.9 Å²	55.9	79%	0.786	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-25.3	-172.7	-29.8	36.1	0	0	0	116.3
36	E	88.3	Confident	95.8	Very high	191 Å²	191	51.4 Å²	51.4	89%	0.893	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.7	14.6	-177.7	-59.6	-177.5	171.1	0	0	112.9	A34	A34-E36 PolarHBondContact O-N 3.01Å
37	K	89.8	Confident	95.8	Very high	116 Å²	116	49.2 Å²	49.2	50%	0.504	26%	0.262	S	S	.	.	S	Bend	trans	-125.3	158	-175.9	-62.2	-169.2	175.5	-177.9	0	112.1	Q33 A34 E40	Q33-K37 WeakPolarHBondContact CG-O 3.47Å; A34-K37 HydrophobicContact CB-CB 4.09Å; A34-K37 HydrophobicContact CB-CD 4.16Å; A34-K37 HydrophobicContact CB-CG 4.14Å; A34-K37 PolarHBondContact O-N 3.5Å; K37-E40 WeakPolarHBondContact CD-OE1 3.23Å; K37-E40 IonicContact NZ-OE1 2.94Å; K37-E40 PolarHBondContact NZ-OE1 2.89Å
38	G	92.9	Very high	95.8	Very high	51 Å²	51	51.3 Å²	51.3	53%	0.526	28%	0.284	S	S	.	.			trans	-68.2	-177.9	166.4	0	0	0	0	0	112.4	E40	G38-E40 PolarHBondContact O-N 3.08Å
39	L	94.9	Very high	95.7	Very high	99 Å²	99	53.9 Å²	53.9	52%	0.518	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	126.1	173.7	-69.3	166	0	0	0	110.4	V31 Q33 Y89 W97	V31-L39 HydrophobicContact CG1-CB 3.96Å; V31-L39 HydrophobicContact CG1-CD2 3.86Å; V31-L39 HydrophobicContact CG1-CG 4.46Å; Q33-L39 HydrophobicContact CB-CD2 4.1Å; L39-Y89 HydrophobicContact CD2-CD2 4.36Å; L39-Y89 HydrophobicContact CD2-CE2 4.29Å; L39-W97 HydrophobicContact CD1-CH2 3.89Å; L39-W97 HydrophobicContact CD1-CZ2 4.47Å; L39-W97 HydrophobicContact CD1-CZ3 4.35Å; L39-W97 HydrophobicContact CD2-CH2 4.32Å; L39-W97 HydrophobicContact CD2-CZ3 4.07Å
40	E	96.4	Very high	95.7	Very high	53 Å²	53	56.3 Å²	56.3	25%	0.248	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	123.6	175.4	-65.4	-178.5	168.7	0	0	109.3	V31 R32 K37 G38	V31-E40 CarbonylContact C-O 3.55Å; V31-E40 WeakPolarHBondContact CA-O 3.49Å; V31-E40 VanDerWaalsContact CG1-O 3.3Å; V31-E40 WeakPolarHBondContact CG1-O 3.44Å; R32-E40 HydrophobicContact CG-CB 4.04Å; R32-E40 IonicContact CZ-OE2 2.93Å; R32-E40 PolarHBondContact N-O 3.17Å; R32-E40 IonicContact NE-OE2 3.04Å; R32-E40 PolarHBondContact NE-OE2 2.68Å; R32-E40 IonicContact NH2-OE2 3.33Å; R32-E40 PolarHBondContact NH2-OE2 2.89Å; R32-E40 PolarHBondContact O-N 2.9Å; K37-E40 WeakPolarHBondContact CD-OE1 3.23Å; K37-E40 IonicContact NZ-OE1 2.94Å; K37-E40 PolarHBondContact NZ-OE1 2.89Å; G38-E40 PolarHBondContact O-N 3.08Å
41	W	97.4	Very high	95.7	Very high	99 Å²	99	58.5 Å²	58.5	38%	0.375	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	138.1	172	175.7	79.3	0	0	0	110.7	H29 A43 Y54 A55	H29-W41 AromaticContact ND1-CD1 3.65Å; H29-W41 AromaticContact ND1-NE1 3.21Å; H29-W41 PolarHBondContact ND1-NE1 3.35Å; W41-A43 PolarHBondContact NE1-O 3.49Å; W41-A43 VanDerWaalsContact NE1-O 3.11Å; W41-Y54 VanDerWaalsContact CZ3-C 3.48Å; W41-A55 HydrophobicContact CE3-CB 3.96Å; W41-A55 HydrophobicContact CZ3-CB 3.97Å; W41-A55 VanDerWaalsContact CZ3-N 3.26Å; W41-A55 WeakPolarHBondContact O-CB 3.37Å
42	V	98	Very high	95.8	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.006	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	-53.2	-173.3	177.8	0	0	0	0	112	W30 R32 A55 V58 F62 L75 Y88	W30-V42 HydrophobicContact CB-CB 4.1Å; W30-V42 HydrophobicContact CB-CG1 4.46Å; W30-V42 WeakPolarHBondContact O-CB 3.48Å; W30-V42 PolarHBondContact O-N 2.95Å; R32-V42 HydrophobicContact CB-CG2 3.88Å; R32-V42 HydrophobicContact CG-CG2 3.63Å; V42-A55 PolarHBondContact O-N 2.91Å; V42-V58 HydrophobicContact CG1-CG1 4.36Å; V42-V58 HydrophobicContact CG1-CG2 4.02Å; V42-V58 WeakPolarHBondContact O-CG2 3.35Å; V42-F62 HydrophobicContact CG1-CD2 3.84Å; V42-F62 HydrophobicContact CG1-CE2 4.28Å; V42-L75 HydrophobicContact CG1-CD2 4.14Å; V42-Y88 HydrophobicContact CG2-CE1 4.3Å
43	A	98.4	Very high	95.8	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	160.2	-176.1	0	0	0	0	0	111.8	H29 W30 W41 Y53 Y54 I64 L75	H29-A43 CarbonylContact C-O 3.58Å; H29-A43 VanDerWaalsContact CA-O 3.28Å; H29-A43 WeakPolarHBondContact CA-O 3.29Å; W30-A43 PolarHBondContact N-O 3.07Å; W30-A43 PolarHBondContact O-N 3.1Å; W41-A43 PolarHBondContact NE1-O 3.49Å; W41-A43 VanDerWaalsContact NE1-O 3.11Å; A43-Y53 CarbonylContact C-O 3.51Å; A43-Y53 VanDerWaalsContact CA-O 3.24Å; A43-Y53 WeakPolarHBondContact CA-O 3.39Å; A43-Y54 HydrophobicContact CB-CD1 3.76Å; A43-Y54 HydrophobicContact CB-CE1 4.06Å; A43-I64 HydrophobicContact CB-CB 4.04Å; A43-I64 HydrophobicContact CB-CD1 4.02Å; A43-I64 HydrophobicContact CB-CG2 4.18Å; A43-L75 HydrophobicContact CB-CD1 4.39Å
44	Y	98.4	Very high	95.9	Very high	54 Å²	54	66.4 Å²	66.4	21%	0.212	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	145	175.5	169.1	-98.7	0	0	0	110.5	M28 H29 T51 I52 Y53	M28-Y44 WeakPolarHBondContact O-CA 3.49Å; M28-Y44 WeakPolarHBondContact O-CD2 3.15Å; H29-Y44 AromaticContact CD2-CD2 3.81Å; H29-Y44 AromaticContact CE1-CD2 3.29Å; H29-Y44 WeakPolarHBondContact CE1-CD2 3.48Å; H29-Y44 AromaticContact CE1-CE2 3.91Å; H29-Y44 AromaticContact CG-CD2 3.98Å; H29-Y44 AromaticContact ND1-CD2 3.69Å; H29-Y44 AromaticContact NE2-CD2 3.35Å; H29-Y44 VanDerWaalsContact NE2-CD2 3.35Å; H29-Y44 WeakPolarHBondContact NE2-CD2 3.35Å; H29-Y44 AromaticContact NE2-CE2 3.61Å; Y44-T51 HydrophobicContact CE1-CG2 4.48Å; Y44-I52 VanDerWaalsContact O-CA 3.31Å; Y44-I52 WeakPolarHBondContact O-CA 3.36Å; Y44-Y53 AromaticContact CD1-CD2 3.71Å; Y44-Y53 HydrophobicContact CD1-CD2 3.71Å; Y44-Y53 HydrophobicContact CD1-CE2 4.3Å; Y44-Y53 HydrophobicContact CE1-CD2 4.42Å; Y44-Y53 PolarHBondContact N-O 3.11Å; Y44-Y53 PolarHBondContact O-N 3.21Å
45	I	98.6	Very high	96.1	Very high	3 Å²	3	66.3 Å²	66.3	2%	0.015	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	131.3	170.2	-172.8	160.9	0	0	0	110	G27 M28 I52 I64 R66 L73	G27-I45 CarbonylContact C-O 3.56Å; G27-I45 WeakPolarHBondContact CA-O 3.26Å; M28-I45 HydrophobicContact CB-CG2 4.36Å; M28-I45 PolarHBondContact N-O 2.9Å; M28-I45 PolarHBondContact O-N 2.89Å; I45-I52 HydrophobicContact CB-CG1 4.44Å; I45-I52 HydrophobicContact CD1-CD1 4.04Å; I45-I52 HydrophobicContact CD1-CG1 4.2Å; I45-I52 HydrophobicContact CG1-CD1 4.37Å; I45-I52 HydrophobicContact CG1-CG1 3.97Å; I45-I64 HydrophobicContact CB-CD1 3.96Å; I45-I64 HydrophobicContact CB-CG1 4.19Å; I45-I64 HydrophobicContact CB-CG2 4.04Å; I45-I64 HydrophobicContact CG2-CD1 3.58Å; I45-I64 HydrophobicContact CG2-CG1 3.88Å; I45-R66 HydrophobicContact CD1-CG 3.91Å; I45-R66 HydrophobicContact CG1-CG 4.48Å; I45-L73 HydrophobicContact CG2-CD1 3.6Å
46	S	98.1	Very high	96.6	Very high	9 Å²	9	67.2 Å²	67.2	6%	0.063	37%	0.367	C	S	.	.			trans	-69	165.7	176.5	65.7	0	0	0	0	112.7	G48 S49 S50 T51 R66	S46-G48 VanDerWaalsContact C-N 3.28Å; S46-G48 PolarHBondContact O-N 3.38Å; S46-S49 PolarHBondContact O-N 3.22Å; S46-S49 PolarHBondContact OG-N 2.77Å; S46-S50 PolarHBondContact OG-N 2.99Å; S46-S50 PolarHBondContact OG-OG 3.32Å; S46-T51 PolarHBondContact N-O 2.82Å; S46-T51 PolarHBondContact OG-N 2.96Å; S46-T51 VanDerWaalsContact OG-N 3.09Å; S46-R66 WeakPolarHBondContact O-CD 3.38Å; S46-R66 PolarHBondContact O-NH1 3.05Å
47	S	96.8	Very high	97	Very high	49 Å²	49	62.3 Å²	62.3	34%	0.343	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-47.4	175.5	43.6	0	0	0	0	113.2	S24 Y26 R66 N68	S24-S47 WeakPolarHBondContact O-CB 3.43Å; Y26-S47 WeakPolarHBondContact O-CA 3.37Å; S47-R66 VanDerWaalsContact O-CZ 3.29Å; S47-R66 PolarHBondContact O-NE 2.93Å; S47-R66 PolarHBondContact O-NH1 2.99Å; S47-N68 PolarHBondContact O-ND2 3.04Å
48	G	95.9	Very high	97.3	Very high	57 Å²	57	56.8 Å²	56.8	59%	0.588	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	7.3	179.6	0	0	0	0	0	115.3	S46 S50	S46-G48 VanDerWaalsContact C-N 3.28Å; S46-G48 PolarHBondContact O-N 3.38Å; G48-S50 PolarHBondContact O-N 3.07Å
49	S	97.4	Very high	97.5	Very high	55 Å²	55	61.1 Å²	61.1	39%	0.385	33%	0.33	S	S	.	.	S	Bend	trans	58.9	12.1	-176	-49.5	0	0	0	0	115.7	S46 T51 R66	S46-S49 PolarHBondContact O-N 3.22Å; S46-S49 PolarHBondContact OG-N 2.77Å; S49-T51 VanDerWaalsContact C-N 3.3Å; S49-T51 PolarHBondContact O-N 2.76Å; S49-R66 WeakPolarHBondContact OG-CD 3.45Å; S49-R66 WeakPolarHBondContact OG-CG 3.44Å
50	S	97.4	Very high	97.6	Very high	103 Å²	103	60.1 Å²	60.1	72%	0.72	34%	0.344	S	S	*	.			trans	-74.7	-19.8	179.7	56.1	0	0	0	0	113.4	S46 G48	S46-S50 PolarHBondContact OG-N 2.99Å; S46-S50 PolarHBondContact OG-OG 3.32Å; G48-S50 PolarHBondContact O-N 3.07Å
51	T	98.4	Very high	97.7	Very high	49 Å²	49	58.6 Å²	58.6	30%	0.301	34%	0.336	S	S	.	.			trans	-130.6	125	-178.2	-53.6	0	0	0	0	108.8	Y44 S46 S49 Y53	Y44-T51 HydrophobicContact CE1-CG2 4.48Å; S46-T51 PolarHBondContact N-O 2.82Å; S46-T51 PolarHBondContact OG-N 2.96Å; S46-T51 VanDerWaalsContact OG-N 3.09Å; S49-T51 VanDerWaalsContact C-N 3.3Å; S49-T51 PolarHBondContact O-N 2.76Å; T51-Y53 HydrophobicContact CG2-CD2 4.05Å; T51-Y53 HydrophobicContact CG2-CE1 4.3Å; T51-Y53 HydrophobicContact CG2-CE2 3.29Å; T51-Y53 VanDerWaalsContact CG2-CZ 3.44Å; T51-Y53 WeakPolarHBondContact CG2-OH 3.41Å
52	I	98.6	Very high	97.7	Very high	66 Å²	66	54 Å²	54	34%	0.338	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	131.1	179.9	-60.4	178.1	0	0	0	108.6	Y44 I45 Y54 I64	Y44-I52 VanDerWaalsContact O-CA 3.31Å; Y44-I52 WeakPolarHBondContact O-CA 3.36Å; I45-I52 HydrophobicContact CB-CG1 4.44Å; I45-I52 HydrophobicContact CD1-CD1 4.04Å; I45-I52 HydrophobicContact CD1-CG1 4.2Å; I45-I52 HydrophobicContact CG1-CD1 4.37Å; I45-I52 HydrophobicContact CG1-CG1 3.97Å; I52-Y54 HydrophobicContact CG2-CD2 4.15Å; I52-Y54 HydrophobicContact CG2-CE1 4.26Å; I52-Y54 HydrophobicContact CG2-CE2 3.38Å; I52-Y54 VanDerWaalsContact CG2-CZ 3.44Å; I52-Y54 WeakPolarHBondContact CG2-OH 3.28Å; I52-I64 HydrophobicContact CG2-CG2 3.52Å
53	Y	98.6	Very high	97.8	Very high	142 Å²	142	57.7 Å²	57.7	56%	0.557	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126	150.2	174.4	-58.2	-66.1	0	0	0	110.5	A43 Y44 T51	A43-Y53 CarbonylContact C-O 3.51Å; A43-Y53 VanDerWaalsContact CA-O 3.24Å; A43-Y53 WeakPolarHBondContact CA-O 3.39Å; Y44-Y53 AromaticContact CD1-CD2 3.71Å; Y44-Y53 HydrophobicContact CD1-CD2 3.71Å; Y44-Y53 HydrophobicContact CD1-CE2 4.3Å; Y44-Y53 HydrophobicContact CE1-CD2 4.42Å; Y44-Y53 PolarHBondContact N-O 3.11Å; Y44-Y53 PolarHBondContact O-N 3.21Å; T51-Y53 HydrophobicContact CG2-CD2 4.05Å; T51-Y53 HydrophobicContact CG2-CE1 4.3Å; T51-Y53 HydrophobicContact CG2-CE2 3.29Å; T51-Y53 VanDerWaalsContact CG2-CZ 3.44Å; T51-Y53 WeakPolarHBondContact CG2-OH 3.41Å
54	Y	98.7	Very high	97.8	Very high	59 Å²	59	57.8 Å²	57.8	23%	0.231	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	145	177.4	-62	-78.4	0	0	0	109.5	W41 A43 I52 F62 T63 I64	W41-Y54 VanDerWaalsContact CZ3-C 3.48Å; A43-Y54 HydrophobicContact CB-CD1 3.76Å; A43-Y54 HydrophobicContact CB-CE1 4.06Å; I52-Y54 HydrophobicContact CG2-CD2 4.15Å; I52-Y54 HydrophobicContact CG2-CE1 4.26Å; I52-Y54 HydrophobicContact CG2-CE2 3.38Å; I52-Y54 VanDerWaalsContact CG2-CZ 3.44Å; I52-Y54 WeakPolarHBondContact CG2-OH 3.28Å; Y54-F62 WeakPolarHBondContact CE1-O 3.31Å; Y54-T63 WeakPolarHBondContact OH-CA 3.37Å; Y54-I64 HydrophobicContact CE1-CB 4.28Å; Y54-I64 HydrophobicContact CE1-CG2 3.85Å; Y54-I64 PolarHBondContact OH-N 2.84Å; Y54-I64 VanDerWaalsContact OH-N 3.16Å
55	A	98.1	Very high	97.8	Very high	15 Å²	15	57.2 Å²	57.2	12%	0.124	35%	0.345	C	S	.	.			trans	-66.1	145.3	166.8	0	0	0	0	0	110	W41 V42 T57 V58 K59	W41-A55 HydrophobicContact CE3-CB 3.96Å; W41-A55 HydrophobicContact CZ3-CB 3.97Å; W41-A55 VanDerWaalsContact CZ3-N 3.26Å; W41-A55 WeakPolarHBondContact O-CB 3.37Å; V42-A55 PolarHBondContact O-N 2.91Å; A55-T57 PolarHBondContact O-N 3.33Å; A55-T57 VanDerWaalsContact O-N 3.14Å; A55-V58 HydrophobicContact CB-CG2 4.21Å; A55-V58 WeakPolarHBondContact O-CG2 3.24Å; A55-V58 PolarHBondContact O-N 2.86Å; A55-K59 PolarHBondContact O-N 2.83Å
56	D	97.8	Very high	97.8	Very high	141 Å²	141	58.5 Å²	58.5	75%	0.754	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-30.5	-177.1	-69	-36	0	0	0	112.6	V58	D56-V58 PolarHBondContact O-N 3.07Å
57	T	95.3	Very high	97.8	Very high	87 Å²	87	60 Å²	60	53%	0.534	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-21.6	178.5	55.6	0	0	0	0	114.1	A55 R61	A55-T57 PolarHBondContact O-N 3.33Å; A55-T57 VanDerWaalsContact O-N 3.14Å; T57-R61 PolarHBondContact O-NH2 2.94Å
58	V	97.4	Very high	97.8	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.7	-6.7	-176.3	-57.4	0	0	0	0	113.4	V42 A55 D56 G60 R61 F62	V42-V58 HydrophobicContact CG1-CG1 4.36Å; V42-V58 HydrophobicContact CG1-CG2 4.02Å; V42-V58 WeakPolarHBondContact O-CG2 3.35Å; A55-V58 HydrophobicContact CB-CG2 4.21Å; A55-V58 WeakPolarHBondContact O-CG2 3.24Å; A55-V58 PolarHBondContact O-N 2.86Å; D56-V58 PolarHBondContact O-N 3.07Å; V58-G60 PolarHBondContact O-N 3.09Å; V58-R61 PolarHBondContact O-N 3.49Å; V58-F62 HydrophobicContact CB-CB 4.09Å; V58-F62 HydrophobicContact CB-CD1 4.35Å; V58-F62 HydrophobicContact CB-CD2 3.56Å; V58-F62 HydrophobicContact CB-CE2 3.99Å; V58-F62 HydrophobicContact CB-CG 3.75Å; V58-F62 HydrophobicContact CG1-CD2 3.6Å; V58-F62 HydrophobicContact CG1-CE2 3.51Å; V58-F62 HydrophobicContact CG1-CG 4.23Å; V58-F62 HydrophobicContact CG1-CZ 4.05Å; V58-F62 HydrophobicContact CG2-CB 4.31Å; V58-F62 HydrophobicContact CG2-CD2 4.09Å; V58-F62 HydrophobicContact CG2-CG 4.39Å; V58-F62 PolarHBondContact O-N 3.16Å
59	K	96.6	Very high	97.8	Very high	142 Å²	142	62.7 Å²	62.7	62%	0.617	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	131.8	-178.7	-166.8	173.7	-174.9	176.2	0	110.7	A55 R61	A55-K59 PolarHBondContact O-N 2.83Å; K59-R61 VanDerWaalsContact C-N 3.26Å; K59-R61 PolarHBondContact O-N 2.96Å
60	G	97.4	Very high	97.8	Very high	79 Å²	79	66.7 Å²	66.7	81%	0.814	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	-5.3	-176.9	0	0	0	0	0	115.3	V58	V58-G60 PolarHBondContact O-N 3.09Å
61	R	98.1	Very high	97.8	Very high	21 Å²	21	65 Å²	65	8%	0.079	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115	-36.8	176.7	-59.2	-170	-58.1	115	-0.1	112.5	T57 V58 K59 T78 S79 D84	T57-R61 PolarHBondContact O-NH2 2.94Å; V58-R61 PolarHBondContact O-N 3.49Å; K59-R61 VanDerWaalsContact C-N 3.26Å; K59-R61 PolarHBondContact O-N 2.96Å; R61-T78 PolarHBondContact O-N 2.89Å; R61-T78 PolarHBondContact O-OG1 3.04Å; R61-S79 PolarHBondContact NH1-O 2.9Å; R61-D84 IonicContact CZ-OD1 3.82Å; R61-D84 IonicContact CZ-OD2 3.45Å; R61-D84 IonicContact NH1-OD1 3.76Å; R61-D84 IonicContact NH1-OD2 2.68Å; R61-D84 PolarHBondContact NH1-OD2 2.89Å; R61-D84 IonicContact NH2-OD1 3.03Å; R61-D84 PolarHBondContact NH2-OD1 2.88Å; R61-D84 IonicContact NH2-OD2 3.27Å; R61-D84 PolarHBondContact NH2-OD2 3.04Å
62	F	98.4	Very high	97.7	Very high	3 Å²	3	63.5 Å²	63.5	1%	0.013	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	143.2	-177.2	-66.3	9	0	0	0	110.4	V42 Y54 V58 L75 Q76 M77 L80 D84 Y88	V42-F62 HydrophobicContact CG1-CD2 3.84Å; V42-F62 HydrophobicContact CG1-CE2 4.28Å; Y54-F62 WeakPolarHBondContact CE1-O 3.31Å; V58-F62 HydrophobicContact CB-CB 4.09Å; V58-F62 HydrophobicContact CB-CD1 4.35Å; V58-F62 HydrophobicContact CB-CD2 3.56Å; V58-F62 HydrophobicContact CB-CE2 3.99Å; V58-F62 HydrophobicContact CB-CG 3.75Å; V58-F62 HydrophobicContact CG1-CD2 3.6Å; V58-F62 HydrophobicContact CG1-CE2 3.51Å; V58-F62 HydrophobicContact CG1-CG 4.23Å; V58-F62 HydrophobicContact CG1-CZ 4.05Å; V58-F62 HydrophobicContact CG2-CB 4.31Å; V58-F62 HydrophobicContact CG2-CD2 4.09Å; V58-F62 HydrophobicContact CG2-CG 4.39Å; V58-F62 PolarHBondContact O-N 3.16Å; F62-L75 HydrophobicContact CB-CD1 4.22Å; F62-L75 HydrophobicContact CD2-CD2 4.07Å; F62-L75 HydrophobicContact CD2-CG 4.47Å; F62-Q76 CarbonylContact C-O 3.58Å; F62-Q76 VanDerWaalsContact CA-O 3.31Å; F62-Q76 WeakPolarHBondContact CA-O 3.49Å; F62-M77 HydrophobicContact CD1-CB 3.78Å; F62-M77 HydrophobicContact CD1-CG 3.68Å; F62-M77 HydrophobicContact CD2-CG 3.82Å; F62-M77 HydrophobicContact CE1-CB 3.72Å; F62-M77 HydrophobicContact CE1-CG 3.74Å; F62-M77 HydrophobicContact CE2-CG 3.84Å; F62-M77 HydrophobicContact CG-CB 4.35Å; F62-M77 HydrophobicContact CG-CG 3.76Å; F62-M77 HydrophobicContact CZ-CB 4.2Å; F62-M77 HydrophobicContact CZ-CE 4.46Å; F62-M77 HydrophobicContact CZ-CG 3.82Å; F62-L80 HydrophobicContact CE1-CD2 3.92Å; F62-L80 HydrophobicContact CZ-CD2 3.96Å; F62-D84 HydrophobicContact CZ-CB 4.19Å; F62-Y88 HydrophobicContact CE2-CE1 4.31Å
63	T	98.6	Very high	97.7	Very high	77 Å²	77	60.4 Å²	60.4	47%	0.472	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	114	178.1	-55.8	0	0	0	0	109.4	Y54 Q76	Y54-T63 WeakPolarHBondContact OH-CA 3.37Å; T63-Q76 PolarHBondContact N-O 3.29Å; T63-Q76 PolarHBondContact O-N 2.79Å
64	I	98.7	Very high	97.7	Very high	3 Å²	3	55.4 Å²	55.4	2%	0.015	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	140.2	173.7	-169.3	172.3	0	0	0	109.3	A43 I45 I52 Y54 L73 F74 L75	A43-I64 HydrophobicContact CB-CB 4.04Å; A43-I64 HydrophobicContact CB-CD1 4.02Å; A43-I64 HydrophobicContact CB-CG2 4.18Å; I45-I64 HydrophobicContact CB-CD1 3.96Å; I45-I64 HydrophobicContact CB-CG1 4.19Å; I45-I64 HydrophobicContact CB-CG2 4.04Å; I45-I64 HydrophobicContact CG2-CD1 3.58Å; I45-I64 HydrophobicContact CG2-CG1 3.88Å; I52-I64 HydrophobicContact CG2-CG2 3.52Å; Y54-I64 HydrophobicContact CE1-CB 4.28Å; Y54-I64 HydrophobicContact CE1-CG2 3.85Å; Y54-I64 PolarHBondContact OH-N 2.84Å; Y54-I64 VanDerWaalsContact OH-N 3.16Å; I64-L73 HydrophobicContact CD1-CD1 4.09Å; I64-L73 HydrophobicContact CG1-CD1 4.08Å; I64-F74 WeakPolarHBondContact CA-O 3.24Å; I64-L75 HydrophobicContact CB-CD1 4.12Å
65	S	98.6	Very high	97.7	Very high	41 Å²	41	52.6 Å²	52.6	29%	0.287	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	165	174.6	53	0	0	0	0	110.2	F74	S65-F74 PolarHBondContact N-O 3.21Å; S65-F74 PolarHBondContact O-N 2.94Å
66	R	98.4	Very high	97.7	Very high	30 Å²	30	54.9 Å²	54.9	11%	0.113	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	152.6	-176.7	63.4	-176.4	-67.7	156.1	1.6	111.4	F23 Y26 I45 S46 S47 S49 N68 T72 L73	F23-R66 HydrophobicContact CE1-CB 4.16Å; F23-R66 VanDerWaalsContact CE1-NH2 3.32Å; F23-R66 HydrophobicContact CZ-CB 4.17Å; F23-R66 PolarHBondContact O-NH2 3.2Å; Y26-R66 PolarHBondContact O-NH1 2.79Å; Y26-R66 PolarHBondContact O-NH2 3.41Å; I45-R66 HydrophobicContact CD1-CG 3.91Å; I45-R66 HydrophobicContact CG1-CG 4.48Å; S46-R66 WeakPolarHBondContact O-CD 3.38Å; S46-R66 PolarHBondContact O-NH1 3.05Å; S47-R66 VanDerWaalsContact O-CZ 3.29Å; S47-R66 PolarHBondContact O-NE 2.93Å; S47-R66 PolarHBondContact O-NH1 2.99Å; S49-R66 WeakPolarHBondContact OG-CD 3.45Å; S49-R66 WeakPolarHBondContact OG-CG 3.44Å; R66-N68 PolarHBondContact NE-OD1 2.81Å; R66-N68 PolarHBondContact NH2-OD1 3.26Å; R66-T72 CarbonylContact C-O 3.42Å; R66-T72 WeakPolarHBondContact CA-O 3.13Å; R66-L73 HydrophobicContact CB-CD1 4.18Å
67	D	97.9	Very high	97.7	Very high	42 Å²	42	48.1 Å²	48.1	23%	0.225	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	107.7	170.3	-176.6	-22.8	0	0	0	108.2	A69 K70 N71 T72 F74	D67-A69 PolarHBondContact OD1-N 3.15Å; D67-K70 HydrophobicContact CB-CB 4.19Å; D67-K70 PolarHBondContact O-N 3.12Å; D67-K70 PolarHBondContact OD1-N 2.75Å; D67-K70 VanDerWaalsContact OD1-N 3.09Å; D67-K70 VanDerWaalsContact OD2-CD 3.26Å; D67-K70 WeakPolarHBondContact OD2-CD 3.31Å; D67-K70 WeakPolarHBondContact OD2-CE 3.49Å; D67-K70 VanDerWaalsContact OD2-CG 3.28Å; D67-K70 WeakPolarHBondContact OD2-CG 3.15Å; D67-K70 IonicContact OD2-NZ 2.77Å; D67-K70 PolarHBondContact OD2-NZ 2.47Å; D67-N71 PolarHBondContact O-N 3.09Å; D67-T72 PolarHBondContact N-O 3.34Å; D67-T72 PolarHBondContact O-N 3.38Å; D67-F74 HydrophobicContact CB-CE2 3.88Å
68	N	97.3	Very high	97.9	Very high	63 Å²	63	46.4 Å²	46.4	34%	0.337	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-31.6	-177.3	-73	-12.4	0	0	0	112.4	F23 S47 R66 K70 N71	F23-N68 WeakPolarHBondContact CE1-OD1 3.36Å; S47-N68 PolarHBondContact O-ND2 3.04Å; R66-N68 PolarHBondContact NE-OD1 2.81Å; R66-N68 PolarHBondContact NH2-OD1 3.26Å; N68-K70 VanDerWaalsContact C-N 3.25Å; N68-K70 PolarHBondContact O-N 2.89Å; N68-N71 PolarHBondContact O-N 3.49Å; N68-N71 PolarHBondContact O-OD1 2.85Å
69	A	96.6	Very high	97.8	Very high	99 Å²	99	49.6 Å²	49.6	82%	0.818	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-30.2	177.6	0	0	0	0	0	111.3	D67	D67-A69 PolarHBondContact OD1-N 3.15Å
70	K	96.9	Very high	97.9	Very high	139 Å²	139	42.9 Å²	42.9	60%	0.604	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	3.3	177.5	-59.6	-169.7	-171.4	107.7	0	114.2	D67 N68 T72	D67-K70 HydrophobicContact CB-CB 4.19Å; D67-K70 PolarHBondContact O-N 3.12Å; D67-K70 PolarHBondContact OD1-N 2.75Å; D67-K70 VanDerWaalsContact OD1-N 3.09Å; D67-K70 VanDerWaalsContact OD2-CD 3.26Å; D67-K70 WeakPolarHBondContact OD2-CD 3.31Å; D67-K70 WeakPolarHBondContact OD2-CE 3.49Å; D67-K70 VanDerWaalsContact OD2-CG 3.28Å; D67-K70 WeakPolarHBondContact OD2-CG 3.15Å; D67-K70 IonicContact OD2-NZ 2.77Å; D67-K70 PolarHBondContact OD2-NZ 2.47Å; N68-K70 VanDerWaalsContact C-N 3.25Å; N68-K70 PolarHBondContact O-N 2.89Å; K70-T72 PolarHBondContact O-N 3.44Å; K70-T72 VanDerWaalsContact O-N 3.09Å; K70-T72 PolarHBondContact O-OG1 2.92Å
71	N	96.8	Very high	97.8	Very high	66 Å²	66	45.5 Å²	45.5	35%	0.353	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.7	38.7	-172.4	-60.8	-35.3	0	0	0	113	A18 F23 D67 N68	A18-N71 PolarHBondContact N-O 2.84Å; F23-N71 HydrophobicContact CB-CB 3.9Å; F23-N71 WeakPolarHBondContact CB-OD1 3.32Å; F23-N71 HydrophobicContact CD1-CB 4.49Å; F23-N71 HydrophobicContact CG-CB 4.2Å; D67-N71 PolarHBondContact O-N 3.09Å; N68-N71 PolarHBondContact O-N 3.49Å; N68-N71 PolarHBondContact O-OD1 2.85Å
72	T	97.7	Very high	97.6	Very high	19 Å²	19	47.7 Å²	47.7	12%	0.117	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	129.9	-169.6	-58.3	0	0	0	0	111.7	C16 R66 D67 K70 F74	C16-T72 CarbonylContact O-C 3.57Å; C16-T72 WeakPolarHBondContact O-CA 3.3Å; R66-T72 CarbonylContact C-O 3.42Å; R66-T72 WeakPolarHBondContact CA-O 3.13Å; D67-T72 PolarHBondContact N-O 3.34Å; D67-T72 PolarHBondContact O-N 3.38Å; K70-T72 PolarHBondContact O-N 3.44Å; K70-T72 VanDerWaalsContact O-N 3.09Å; K70-T72 PolarHBondContact O-OG1 2.92Å; T72-F74 HydrophobicContact CG2-CD1 4.1Å; T72-F74 HydrophobicContact CG2-CD2 4.37Å; T72-F74 HydrophobicContact CG2-CE1 3.47Å; T72-F74 VanDerWaalsContact CG2-CE1 3.47Å; T72-F74 HydrophobicContact CG2-CE2 3.78Å; T72-F74 HydrophobicContact CG2-CZ 3.29Å
73	L	98.3	Very high	97.4	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	141	170.6	-169.1	70.7	0	0	0	110.1	S15 C16 F23 M28 W30 I45 I64 R66 C90	S15-L73 CarbonylContact C-O 3.52Å; S15-L73 WeakPolarHBondContact CA-O 3.16Å; C16-L73 HydrophobicContact CB-CB 4.45Å; C16-L73 PolarHBondContact N-O 2.94Å; C16-L73 PolarHBondContact O-N 3.25Å; F23-L73 HydrophobicContact CE2-CB 4.33Å; F23-L73 HydrophobicContact CZ-CB 4.2Å; M28-L73 HydrophobicContact CB-CD1 3.76Å; M28-L73 HydrophobicContact CB-CD2 3.85Å; M28-L73 HydrophobicContact CB-CG 4.37Å; M28-L73 HydrophobicContact CG-CD1 4.45Å; W30-L73 HydrophobicContact CD2-CD2 4.44Å; W30-L73 HydrophobicContact CG-CD2 4.32Å; W30-L73 HydrophobicContact CZ2-CD2 4.5Å; W30-L73 VanDerWaalsContact NE1-CD2 3.32Å; I45-L73 HydrophobicContact CG2-CD1 3.6Å; I64-L73 HydrophobicContact CD1-CD1 4.09Å; I64-L73 HydrophobicContact CG1-CD1 4.08Å; R66-L73 HydrophobicContact CB-CD1 4.18Å; L73-C90 HydrophobicContact CD2-CB 3.99Å
74	F	98.4	Very high	97.3	Very high	38 Å²	38	49.6 Å²	49.6	17%	0.167	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	149.3	178.6	-55.9	-80.3	0	0	0	111.7	K13 L14 W30 I64 S65 D67 T72	K13-F74 VanDerWaalsContact CE-CD1 3.47Å; L14-F74 VanDerWaalsContact O-CA 3.26Å; L14-F74 WeakPolarHBondContact O-CA 3.5Å; W30-F74 PolarHBondContact NE1-O 2.87Å; I64-F74 WeakPolarHBondContact CA-O 3.24Å; S65-F74 PolarHBondContact N-O 3.21Å; S65-F74 PolarHBondContact O-N 2.94Å; D67-F74 HydrophobicContact CB-CE2 3.88Å; T72-F74 HydrophobicContact CG2-CD1 4.1Å; T72-F74 HydrophobicContact CG2-CD2 4.37Å; T72-F74 HydrophobicContact CG2-CE1 3.47Å; T72-F74 VanDerWaalsContact CG2-CE1 3.47Å; T72-F74 HydrophobicContact CG2-CE2 3.78Å; T72-F74 HydrophobicContact CG2-CZ 3.29Å
75	L	98.6	Very high	97.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	106.4	167.8	-167.4	64.9	0	0	0	108.2	K13 L14 W30 V42 A43 F62 I64 M77 Y88	K13-L75 WeakPolarHBondContact CA-O 3.49Å; L14-L75 HydrophobicContact CB-CB 4.32Å; L14-L75 PolarHBondContact N-O 3.04Å; L14-L75 PolarHBondContact O-N 3.44Å; W30-L75 HydrophobicContact CB-CD2 4.21Å; W30-L75 HydrophobicContact CD2-CB 4.16Å; W30-L75 HydrophobicContact CD2-CD2 4.19Å; W30-L75 HydrophobicContact CG-CB 4.22Å; W30-L75 HydrophobicContact CG-CD1 4.38Å; W30-L75 HydrophobicContact CG-CD2 3.96Å; W30-L75 HydrophobicContact CG-CG 4.43Å; W30-L75 HydrophobicContact CZ2-CB 4.26Å; V42-L75 HydrophobicContact CG1-CD2 4.14Å; A43-L75 HydrophobicContact CB-CD1 4.39Å; F62-L75 HydrophobicContact CB-CD1 4.22Å; F62-L75 HydrophobicContact CD2-CD2 4.07Å; F62-L75 HydrophobicContact CD2-CG 4.47Å; I64-L75 HydrophobicContact CB-CD1 4.12Å; L75-M77 HydrophobicContact CB-SD 4.45Å; L75-M77 HydrophobicContact CD2-CG 4.05Å; L75-M77 HydrophobicContact CD2-SD 3.82Å; L75-M77 HydrophobicContact CG-CG 3.92Å; L75-M77 HydrophobicContact CG-SD 4.07Å; L75-Y88 HydrophobicContact CD2-CD1 4.24Å; L75-Y88 HydrophobicContact CD2-CE1 4.34Å
76	Q	98.4	Very high	97.2	Very high	62 Å²	62	49.5 Å²	49.5	29%	0.29	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	125.7	168.3	-178.6	63.6	51.6	0	0	107.9	L12 F62 T63 T78	L12-Q76 PolarHBondContact O-NE2 3.02Å; F62-Q76 CarbonylContact C-O 3.58Å; F62-Q76 VanDerWaalsContact CA-O 3.31Å; F62-Q76 WeakPolarHBondContact CA-O 3.49Å; T63-Q76 PolarHBondContact N-O 3.29Å; T63-Q76 PolarHBondContact O-N 2.79Å; Q76-T78 HydrophobicContact CG-CG2 4.37Å
77	M	98.1	Very high	97.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	124.3	-179.3	-66.7	143.6	48.4	0	0	108.2	S11 L12 L14 F62 L75 L80 L103	S11-M77 CarbonylContact C-O 3.52Å; S11-M77 WeakPolarHBondContact CA-O 3.2Å; S11-M77 VanDerWaalsContact CB-O 3.32Å; S11-M77 WeakPolarHBondContact CB-O 3.07Å; L12-M77 PolarHBondContact N-O 3.07Å; L12-M77 PolarHBondContact O-N 3.45Å; L14-M77 HydrophobicContact CD1-CE 4.34Å; L14-M77 HydrophobicContact CD1-SD 3.68Å; L14-M77 HydrophobicContact CG-CE 4.49Å; L14-M77 HydrophobicContact CG-SD 3.74Å; F62-M77 HydrophobicContact CD1-CB 3.78Å; F62-M77 HydrophobicContact CD1-CG 3.68Å; F62-M77 HydrophobicContact CD2-CG 3.82Å; F62-M77 HydrophobicContact CE1-CB 3.72Å; F62-M77 HydrophobicContact CE1-CG 3.74Å; F62-M77 HydrophobicContact CE2-CG 3.84Å; F62-M77 HydrophobicContact CG-CB 4.35Å; F62-M77 HydrophobicContact CG-CG 3.76Å; F62-M77 HydrophobicContact CZ-CB 4.2Å; F62-M77 HydrophobicContact CZ-CE 4.46Å; F62-M77 HydrophobicContact CZ-CG 3.82Å; L75-M77 HydrophobicContact CB-SD 4.45Å; L75-M77 HydrophobicContact CD2-CG 4.05Å; L75-M77 HydrophobicContact CD2-SD 3.82Å; L75-M77 HydrophobicContact CG-CG 3.92Å; L75-M77 HydrophobicContact CG-SD 4.07Å; M77-L80 HydrophobicContact CB-CD2 3.93Å; M77-L80 HydrophobicContact CB-CG 4.27Å; M77-L80 HydrophobicContact CE-CD1 4.24Å; M77-L80 HydrophobicContact CE-CD2 3.62Å; M77-L80 HydrophobicContact CE-CG 4.49Å; M77-L103 HydrophobicContact CE-CD1 3.84Å; M77-L103 HydrophobicContact CE-CD2 3.15Å; M77-L103 HydrophobicContact CE-CG 4.04Å
78	T	97.9	Very high	97.1	Very high	50 Å²	50	49 Å²	49	31%	0.307	27%	0.265	S	S	.	.			trans	-121.3	162.1	175.5	66.1	0	0	0	0	110.2	S11 R61 Q76 L80	S11-T78 WeakPolarHBondContact OG-CA 3.21Å; R61-T78 PolarHBondContact O-N 2.89Å; R61-T78 PolarHBondContact O-OG1 3.04Å; Q76-T78 HydrophobicContact CG-CG2 4.37Å; T78-L80 PolarHBondContact O-N 3.19Å
79	S	97.1	Very high	97.1	Very high	67 Å²	67	48 Å²	48	47%	0.469	26%	0.257	S	S	.	.	S	Bend	trans	49.5	49.5	179.7	-56.4	0	0	0	0	111.8	G10 R61	G10-S79 PolarHBondContact O-N 2.94Å; R61-S79 PolarHBondContact NH1-O 2.9Å
80	L	97.3	Very high	97.1	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	22%	0.221	C	C	.	.			trans	-62.2	142.7	-177.7	-80.9	172	0	0	0	111.9	V6 G9 G10 L12 F62 M77 T78 D84 L103 V105	V6-L80 HydrophobicContact CB-CD1 4.2Å; V6-L80 HydrophobicContact CG2-CD1 3.78Å; G9-L80 PolarHBondContact N-O 2.78Å; G10-L80 WeakPolarHBondContact O-CB 3.31Å; G10-L80 PolarHBondContact O-N 3.31Å; G10-L80 VanDerWaalsContact O-N 3.07Å; L12-L80 HydrophobicContact CB-CD1 4.15Å; F62-L80 HydrophobicContact CE1-CD2 3.92Å; F62-L80 HydrophobicContact CZ-CD2 3.96Å; M77-L80 HydrophobicContact CB-CD2 3.93Å; M77-L80 HydrophobicContact CB-CG 4.27Å; M77-L80 HydrophobicContact CE-CD1 4.24Å; M77-L80 HydrophobicContact CE-CD2 3.62Å; M77-L80 HydrophobicContact CE-CG 4.49Å; T78-L80 PolarHBondContact O-N 3.19Å; L80-D84 HydrophobicContact CD2-CB 3.85Å; L80-L103 HydrophobicContact CD1-CD1 4.28Å; L80-L103 HydrophobicContact CD1-CD2 4.49Å; L80-L103 HydrophobicContact CD2-CD2 3.89Å; L80-V105 HydrophobicContact CB-CG1 4.26Å; L80-V105 HydrophobicContact CB-CG2 4.04Å; L80-V105 HydrophobicContact CD1-CG2 4.33Å; L80-V105 HydrophobicContact CD2-CG2 4.32Å; L80-V105 HydrophobicContact CG-CG2 4.48Å
81	R	96	Very high	97	Very high	133 Å²	133	37.1 Å²	37.1	50%	0.502	19%	0.193	S	C	.	.			trans	-121.7	162.2	179.6	-53	177	-179.9	170.7	-2.1	110.4	E83 D84 V105	R81-E83 WeakPolarHBondContact CB-OE2 3.03Å; R81-E83 PolarHBondContact O-N 3.49Å; R81-D84 PolarHBondContact N-OD2 3.05Å; R81-D84 WeakPolarHBondContact O-CB 3.3Å; R81-D84 PolarHBondContact O-N 3.01Å; R81-V105 WeakPolarHBondContact O-CB 3.43Å; R81-V105 WeakPolarHBondContact O-CG1 3.41Å; R81-V105 WeakPolarHBondContact O-CG2 3.28Å
82	S	94.3	Very high	96.9	Very high	67 Å²	67	36.4 Å²	36.4	47%	0.469	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-51.3	-39.6	174.8	26.2	0	0	0	0	112.1	D84 T85	S82-D84 PolarHBondContact O-N 3.04Å; S82-T85 VanDerWaalsContact O-CB 3.27Å; S82-T85 WeakPolarHBondContact O-CB 3.26Å; S82-T85 PolarHBondContact O-N 3.3Å; S82-T85 VanDerWaalsContact O-N 3.08Å; S82-T85 PolarHBondContact O-OG1 2.8Å
83	E	94.4	Very high	96.1	Very high	118 Å²	118	37.5 Å²	37.5	55%	0.551	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-69.2	-11.6	-179.2	-51.7	73.4	-128.2	0	0	113.4	R81 T85	R81-E83 WeakPolarHBondContact CB-OE2 3.03Å; R81-E83 PolarHBondContact O-N 3.49Å; E83-T85 VanDerWaalsContact C-N 3.29Å
84	D	96.3	Very high	95.1	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.016	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-83.3	-7.1	174.5	-60.3	-47.1	0	0	0	112.4	R32 R61 F62 L80 R81 S82 A86 Y88 L103 V105	R32-D84 IonicContact NH1-OD1 3.45Å; R32-D84 PolarHBondContact NH1-OD1 3.17Å; R61-D84 IonicContact CZ-OD1 3.82Å; R61-D84 IonicContact CZ-OD2 3.45Å; R61-D84 IonicContact NH1-OD1 3.76Å; R61-D84 IonicContact NH1-OD2 2.68Å; R61-D84 PolarHBondContact NH1-OD2 2.89Å; R61-D84 IonicContact NH2-OD1 3.03Å; R61-D84 PolarHBondContact NH2-OD1 2.88Å; R61-D84 IonicContact NH2-OD2 3.27Å; R61-D84 PolarHBondContact NH2-OD2 3.04Å; F62-D84 HydrophobicContact CZ-CB 4.19Å; L80-D84 HydrophobicContact CD2-CB 3.85Å; R81-D84 PolarHBondContact N-OD2 3.05Å; R81-D84 WeakPolarHBondContact O-CB 3.3Å; R81-D84 PolarHBondContact O-N 3.01Å; S82-D84 PolarHBondContact O-N 3.04Å; D84-A86 PolarHBondContact O-N 2.83Å; D84-Y88 VanDerWaalsContact O-CE2 3.26Å; D84-Y88 WeakPolarHBondContact O-CE2 3.48Å; D84-Y88 PolarHBondContact O-OH 3.04Å; D84-L103 HydrophobicContact CB-CD2 4.26Å; D84-L103 WeakPolarHBondContact O-CD2 3.49Å; D84-V105 HydrophobicContact CB-CG2 4.48Å
85	T	96.6	Very high	94.4	Very high	38 Å²	38	48.7 Å²	48.7	23%	0.233	26%	0.255	C	S	.	.			trans	-60.9	114.1	173.9	-63.5	0	0	0	0	110.4	S82 E83 L103 T104 V105	S82-T85 VanDerWaalsContact O-CB 3.27Å; S82-T85 WeakPolarHBondContact O-CB 3.26Å; S82-T85 PolarHBondContact O-N 3.3Å; S82-T85 VanDerWaalsContact O-N 3.08Å; S82-T85 PolarHBondContact O-OG1 2.8Å; E83-T85 VanDerWaalsContact C-N 3.29Å; T85-L103 WeakPolarHBondContact CA-O 3.47Å; T85-T104 HydrophobicContact CG2-CG2 4.41Å; T85-V105 PolarHBondContact OG1-N 3.41Å; T85-V105 PolarHBondContact OG1-O 3.47Å
86	A	97.2	Very high	93.9	Very high	4 Å²	4	52.2 Å²	52.2	3%	0.033	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	166.6	-176.6	0	0	0	0	0	111	R32 Q33 A34 D84 Y88 L103	R32-A86 HydrophobicContact CB-CB 3.89Å; R32-A86 HydrophobicContact CG-CB 4.23Å; Q33-A86 WeakPolarHBondContact O-CA 3.26Å; Q33-A86 WeakPolarHBondContact O-CB 3.39Å; A34-A86 HydrophobicContact CB-CB 4.46Å; D84-A86 PolarHBondContact O-N 2.83Å; A86-Y88 HydrophobicContact CB-CD2 4.23Å; A86-Y88 HydrophobicContact CB-CE2 3.74Å; A86-Y88 WeakPolarHBondContact O-CD2 3.46Å; A86-L103 PolarHBondContact N-O 2.83Å; A86-L103 VanDerWaalsContact N-O 3.12Å; A86-L103 PolarHBondContact O-N 3.09Å
87	M	97.4	Very high	93.7	Very high	59 Å²	59	53.5 Å²	53.5	29%	0.291	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	128	159	-169.3	68.8	70.5	0	0	108.9	R32 Q33 Y89 T101 T102	R32-M87 CarbonylContact C-O 3.44Å; R32-M87 WeakPolarHBondContact CA-O 3.4Å; Q33-M87 PolarHBondContact N-O 3.22Å; Q33-M87 PolarHBondContact O-N 3.12Å; M87-Y89 HydrophobicContact CB-CE2 3.84Å; M87-Y89 HydrophobicContact CG-CD2 4.43Å; M87-Y89 HydrophobicContact CG-CE1 3.79Å; M87-Y89 HydrophobicContact CG-CE2 3.64Å; M87-Y89 VanDerWaalsContact CG-OH 3.23Å; M87-Y89 WeakPolarHBondContact CG-OH 3.29Å; M87-T101 PolarHBondContact SD-N 3.19Å; M87-T101 VanDerWaalsContact SD-N 3.38Å; M87-T102 WeakPolarHBondContact CE-OG1 3.44Å; M87-T102 PolarHBondContact SD-N 2.01Å; M87-T102 PolarHBondContact SD-OG1 3.43Å
88	Y	97.6	Very high	93.4	Very high	1 Å²	1	54.4 Å²	54.4	0%	0.004	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128.5	-179.9	-75.2	-101.2	0	0	0	111.1	L14 V31 R32 V42 F62 L75 D84 A86 G100 T101 L103	L14-Y88 HydrophobicContact CD1-CD1 4.05Å; L14-Y88 HydrophobicContact CD1-CD2 4.16Å; L14-Y88 HydrophobicContact CD1-CG 3.68Å; V31-Y88 CarbonylContact O-C 3.59Å; V31-Y88 WeakPolarHBondContact O-CA 3.32Å; R32-Y88 HydrophobicContact CB-CD1 3.81Å; R32-Y88 HydrophobicContact CB-CD2 4.42Å; R32-Y88 HydrophobicContact CB-CE1 3.76Å; R32-Y88 HydrophobicContact CB-CE2 4.36Å; R32-Y88 HydrophobicContact CB-CG 4.14Å; R32-Y88 WeakPolarHBondContact CD-OH 3.4Å; R32-Y88 HydrophobicContact CG-CE1 4.39Å; R32-Y88 PolarHBondContact NH1-OH 3.18Å; V42-Y88 HydrophobicContact CG2-CE1 4.3Å; F62-Y88 HydrophobicContact CE2-CE1 4.31Å; L75-Y88 HydrophobicContact CD2-CD1 4.24Å; L75-Y88 HydrophobicContact CD2-CE1 4.34Å; D84-Y88 VanDerWaalsContact O-CE2 3.26Å; D84-Y88 WeakPolarHBondContact O-CE2 3.48Å; D84-Y88 PolarHBondContact O-OH 3.04Å; A86-Y88 HydrophobicContact CB-CD2 4.23Å; A86-Y88 HydrophobicContact CB-CE2 3.74Å; A86-Y88 WeakPolarHBondContact O-CD2 3.46Å; Y88-G100 CarbonylContact O-C 3.59Å; Y88-G100 WeakPolarHBondContact O-CA 3.41Å; Y88-T101 PolarHBondContact N-O 2.84Å; Y88-T101 PolarHBondContact O-N 2.83Å; Y88-L103 HydrophobicContact CD2-CB 3.87Å; Y88-L103 HydrophobicContact CE2-CB 3.71Å; Y88-L103 HydrophobicContact CE2-CD2 3.73Å; Y88-L103 HydrophobicContact CE2-CG 4.38Å
89	Y	97	Very high	93.2	Very high	42 Å²	42	61 Å²	61	17%	0.165	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	137.7	-178.9	-51.3	-91	0	0	0	110.1	W30 V31 Q33 L39 M87 W97 G98	W30-Y89 WeakPolarHBondContact CA-O 3.45Å; W30-Y89 VanDerWaalsContact CE3-O 3.29Å; V31-Y89 PolarHBondContact N-O 2.68Å; V31-Y89 PolarHBondContact O-N 3.04Å; Q33-Y89 HydrophobicContact CB-CE2 3.95Å; L39-Y89 HydrophobicContact CD2-CD2 4.36Å; L39-Y89 HydrophobicContact CD2-CE2 4.29Å; M87-Y89 HydrophobicContact CB-CE2 3.84Å; M87-Y89 HydrophobicContact CG-CD2 4.43Å; M87-Y89 HydrophobicContact CG-CE1 3.79Å; M87-Y89 HydrophobicContact CG-CE2 3.64Å; M87-Y89 VanDerWaalsContact CG-OH 3.23Å; M87-Y89 WeakPolarHBondContact CG-OH 3.29Å; Y89-W97 HydrophobicContact CG-CE3 4.19Å; Y89-W97 HydrophobicContact CG-CZ3 4.45Å; Y89-G98 WeakPolarHBondContact CD1-O 3.43Å
90	C	96.3	Very high	93	Very high	8 Å²	8	59 Å²	59	5%	0.054	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	144.1	161.6	52.7	0	0	0	0	109.2	C16 H29 W30 L73 G98	C16-C90 HydrophobicContact CB-CB 3.45Å; C16-C90 VanDerWaalsContact CB-CB 3.45Å; C16-C90 WeakPolarHBondContact CB-SG 3.48Å; C16-C90 WeakPolarHBondContact SG-CB 3.1Å; C16-C90 CovalentContact SG-SG 2.01Å; C16-C90 PolarHBondContact SG-SG 3.49Å; H29-C90 CarbonylContact O-C 3.57Å; H29-C90 VanDerWaalsContact O-CA 3.31Å; H29-C90 WeakPolarHBondContact O-CA 3.46Å; W30-C90 HydrophobicContact CH2-CB 4.46Å; W30-C90 HydrophobicContact CZ3-CB 4.45Å; L73-C90 HydrophobicContact CD2-CB 3.99Å; C90-G98 PolarHBondContact O-N 3.44Å
91	A	96.2	Very high	92.9	Very high	3 Å²	3	59.8 Å²	59.8	3%	0.025	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	148.3	177.2	0	0	0	0	0	111.3	M28 H29 Y96 W97	M28-A91 CarbonylContact C-O 3.51Å; M28-A91 WeakPolarHBondContact CA-O 3.01Å; H29-A91 HydrophobicContact CB-CB 4.45Å; H29-A91 PolarHBondContact N-O 2.77Å; H29-A91 PolarHBondContact O-N 3.4Å; A91-Y96 VanDerWaalsContact CA-O 3.24Å; A91-Y96 WeakPolarHBondContact CA-O 3.36Å; A91-Y96 WeakPolarHBondContact CB-O 3.39Å; A91-W97 HydrophobicContact CB-CD2 4.01Å; A91-W97 HydrophobicContact CB-CE3 4.16Å; A91-W97 HydrophobicContact CB-CG 4.42Å; A91-W97 HydrophobicContact CB-CZ3 4.5Å
92	R	92.9	Very high	92.8	Very high	50 Å²	50	56.8 Å²	56.8	19%	0.189	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-42.4	171.3	-176.4	-170.5	74.7	167.5	-6.8	111.1	F21 Y26 M28 D95 Y96	F21-R92 HydrophobicContact CE2-CG 4.27Å; F21-R92 HydrophobicContact CZ-CB 4.37Å; Y26-R92 HydrophobicContact CD1-CG 3.92Å; Y26-R92 HydrophobicContact CG-CG 3.79Å; Y26-R92 VanDerWaalsContact CZ-NH1 3.34Å; M28-R92 HydrophobicContact CE-CB 4.31Å; M28-R92 HydrophobicContact SD-CB 3.94Å; M28-R92 HydrophobicContact SD-CG 4.15Å; R92-D95 IonicContact CZ-OD2 3.95Å; R92-D95 IonicContact NH2-OD2 2.8Å; R92-D95 PolarHBondContact NH2-OD2 2.84Å; R92-Y96 HydrophobicContact CB-CD1 4.49Å; R92-Y96 PolarHBondContact N-O 3.42Å; R92-Y96 VanDerWaalsContact N-O 3.12Å
93	S	82.2	Confident	92.9	Very high	43 Å²	43	53.6 Å²	53.6	30%	0.301	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	-174.6	-172.4	42.7	0	0	0	0	107.1	D95 Y96	S93-D95 WeakPolarHBondContact CB-OD1 3.34Å; S93-D95 PolarHBondContact O-N 2.76Å; S93-D95 VanDerWaalsContact O-N 3.15Å; S93-D95 PolarHBondContact OG-OD1 2.85Å; S93-Y96 PolarHBondContact O-N 3.08Å
94	L	77.6	Confident	92.9	Very high	162 Å²	162	50.5 Å²	50.5	85%	0.848	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-20.3	-177.1	-65.4	177	0	0	0	114.1	W97	L94-W97 PolarHBondContact O-NE1 3.12Å
95	D	82.6	Confident	92.8	Very high	111 Å²	111	50.7 Å²	50.7	59%	0.594	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-11	-172.5	56.2	-53.8	0	0	0	114.8	R92 S93	R92-D95 IonicContact CZ-OD2 3.95Å; R92-D95 IonicContact NH2-OD2 2.8Å; R92-D95 PolarHBondContact NH2-OD2 2.84Å; S93-D95 WeakPolarHBondContact CB-OD1 3.34Å; S93-D95 PolarHBondContact O-N 2.76Å; S93-D95 VanDerWaalsContact O-N 3.15Å; S93-D95 PolarHBondContact OG-OD1 2.85Å
96	Y	89.3	Confident	92.6	Very high	73 Å²	73	50 Å²	50	29%	0.286	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	114.5	-178.2	-169	-77.5	0	0	0	112.2	S19 F21 A91 R92 S93	S19-Y96 PolarHBondContact O-OH 2.62Å; F21-Y96 HydrophobicContact CD1-CD1 4.45Å; F21-Y96 HydrophobicContact CD1-CD2 4.31Å; F21-Y96 HydrophobicContact CD1-CE1 4.2Å; F21-Y96 AromaticContact CD1-CE2 3.98Å; F21-Y96 HydrophobicContact CD1-CE2 3.98Å; F21-Y96 AromaticContact CD1-CZ 3.94Å; F21-Y96 AromaticContact CE1-CD1 3.75Å; F21-Y96 HydrophobicContact CE1-CD1 3.75Å; F21-Y96 HydrophobicContact CE1-CD2 4.39Å; F21-Y96 AromaticContact CE1-CE1 3.44Å; F21-Y96 HydrophobicContact CE1-CE1 3.44Å; F21-Y96 VanDerWaalsContact CE1-CE1 3.44Å; F21-Y96 HydrophobicContact CE1-CE2 4.07Å; F21-Y96 HydrophobicContact CE1-CG 4.24Å; F21-Y96 AromaticContact CE1-CZ 3.6Å; F21-Y96 HydrophobicContact CZ-CD1 4.41Å; F21-Y96 HydrophobicContact CZ-CE1 4.32Å; A91-Y96 VanDerWaalsContact CA-O 3.24Å; A91-Y96 WeakPolarHBondContact CA-O 3.36Å; A91-Y96 WeakPolarHBondContact CB-O 3.39Å; R92-Y96 HydrophobicContact CB-CD1 4.49Å; R92-Y96 PolarHBondContact N-O 3.42Å; R92-Y96 VanDerWaalsContact N-O 3.12Å; S93-Y96 PolarHBondContact O-N 3.08Å
97	W	93.6	Very high	91.9	Very high	89 Å²	89	54.5 Å²	54.5	34%	0.337	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	142.2	-175.5	-65.8	74.5	0	0	0	111.3	V31 L39 Y89 A91 L94	V31-W97 HydrophobicContact CB-CH2 4.01Å; V31-W97 HydrophobicContact CB-CZ3 3.67Å; V31-W97 HydrophobicContact CG1-CH2 3.82Å; V31-W97 HydrophobicContact CG1-CZ3 3.74Å; V31-W97 HydrophobicContact CG2-CH2 3.84Å; V31-W97 HydrophobicContact CG2-CZ3 3.89Å; L39-W97 HydrophobicContact CD1-CH2 3.89Å; L39-W97 HydrophobicContact CD1-CZ2 4.47Å; L39-W97 HydrophobicContact CD1-CZ3 4.35Å; L39-W97 HydrophobicContact CD2-CH2 4.32Å; L39-W97 HydrophobicContact CD2-CZ3 4.07Å; Y89-W97 HydrophobicContact CG-CE3 4.19Å; Y89-W97 HydrophobicContact CG-CZ3 4.45Å; A91-W97 HydrophobicContact CB-CD2 4.01Å; A91-W97 HydrophobicContact CB-CE3 4.16Å; A91-W97 HydrophobicContact CB-CG 4.42Å; A91-W97 HydrophobicContact CB-CZ3 4.5Å; L94-W97 PolarHBondContact O-NE1 3.12Å
98	G	92.3	Very high	90.9	Very high	20 Å²	20	58.8 Å²	58.8	21%	0.206	31%	0.314	C	S	.	.			trans	-72.1	163.9	166	0	0	0	0	0	111.8	Y89 C90 G100	Y89-G98 WeakPolarHBondContact CD1-O 3.43Å; C90-G98 PolarHBondContact O-N 3.44Å; G98-G100 PolarHBondContact O-N 3.2Å; G98-G100 VanDerWaalsContact O-N 3.09Å
99	Q	92.2	Very high	89.1	Confident	188 Å²	188	63.9 Å²	63.9	88%	0.879	35%	0.35	S	S	*	.			trans	-63.2	-16.3	179.3	-65	-62.5	-34	0	0	114.1
100	G	93.4	Very high	87.1	Confident	24 Å²	24	69.5 Å²	69.5	25%	0.247	38%	0.378	C	S	.	.			trans	90.7	160.1	-176.1	0	0	0	0	0	113	Y88 G98	Y88-G100 CarbonylContact O-C 3.59Å; Y88-G100 WeakPolarHBondContact O-CA 3.41Å; G98-G100 PolarHBondContact O-N 3.2Å; G98-G100 VanDerWaalsContact O-N 3.09Å
101	T	95.3	Very high	84.9	Confident	19 Å²	19	78 Å²	78	12%	0.117	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	131.8	171.3	-166.8	0	0	0	0	109.9	G3 L14 M87 Y88	G3-T101 WeakPolarHBondContact CA-OG1 3.43Å; G3-T101 PolarHBondContact N-OG1 3.03Å; L14-T101 HydrophobicContact CD1-CG2 4.05Å; L14-T101 HydrophobicContact CD2-CG2 3.87Å; L14-T101 HydrophobicContact CG-CG2 4.43Å; M87-T101 PolarHBondContact SD-N 3.19Å; M87-T101 VanDerWaalsContact SD-N 3.38Å; Y88-T101 PolarHBondContact N-O 2.84Å; Y88-T101 PolarHBondContact O-N 2.83Å
102	T	95.3	Very high	84.4	Confident	70 Å²	70	81.8 Å²	81.8	43%	0.429	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	131	-179.7	-49.9	0	0	0	0	110.4	G3 G4 M87	G3-T102 CarbonylContact C-O 3.59Å; G3-T102 VanDerWaalsContact CA-O 3.3Å; G3-T102 WeakPolarHBondContact CA-O 3.36Å; G4-T102 PolarHBondContact N-O 3.36Å; M87-T102 WeakPolarHBondContact CE-OG1 3.44Å; M87-T102 PolarHBondContact SD-N 2.01Å; M87-T102 PolarHBondContact SD-OG1 3.43Å
103	L	95	Very high	83.9	Confident	0 Å²	0	83.4 Å²	83.4	0%	0	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	128.7	162.4	175.5	79.6	0	0	0	108.3	V6 L12 M77 L80 D84 T85 A86 Y88 V105	V6-L103 HydrophobicContact CG2-CD1 3.5Å; L12-L103 HydrophobicContact CB-CD1 4.48Å; L12-L103 HydrophobicContact CD2-CD1 3.29Å; M77-L103 HydrophobicContact CE-CD1 3.84Å; M77-L103 HydrophobicContact CE-CD2 3.15Å; M77-L103 HydrophobicContact CE-CG 4.04Å; L80-L103 HydrophobicContact CD1-CD1 4.28Å; L80-L103 HydrophobicContact CD1-CD2 4.49Å; L80-L103 HydrophobicContact CD2-CD2 3.89Å; D84-L103 HydrophobicContact CB-CD2 4.26Å; D84-L103 WeakPolarHBondContact O-CD2 3.49Å; T85-L103 WeakPolarHBondContact CA-O 3.47Å; A86-L103 PolarHBondContact N-O 2.83Å; A86-L103 VanDerWaalsContact N-O 3.12Å; A86-L103 PolarHBondContact O-N 3.09Å; Y88-L103 HydrophobicContact CD2-CB 3.87Å; Y88-L103 HydrophobicContact CE2-CB 3.71Å; Y88-L103 HydrophobicContact CE2-CD2 3.73Å; Y88-L103 HydrophobicContact CE2-CG 4.38Å; L103-V105 HydrophobicContact CD2-CG2 3.94Å; L103-V105 HydrophobicContact CG-CG2 4.11Å
104	T	95.4	Very high	84	Confident	54 Å²	54	85.7 Å²	85.7	33%	0.331	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	127.2	170.4	-54.5	0	0	0	0	109.5	G4 L5 V6 T85	G4-T104 PolarHBondContact O-N 2.98Å; G4-T104 VanDerWaalsContact O-N 3.07Å; L5-T104 CarbonylContact C-O 3.53Å; L5-T104 WeakPolarHBondContact CA-O 3.25Å; L5-T104 HydrophobicContact CD1-CG2 3.71Å; V6-T104 PolarHBondContact N-O 3.06Å; T85-T104 HydrophobicContact CG2-CG2 4.41Å
105	V	94.3	Very high	84.4	Confident	6 Å²	6	81.2 Å²	81.2	4%	0.036	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	102.4	173.9	-172.3	0	0	0	0	108.7	V6 P8 L80 R81 D84 T85 L103	V6-V105 VanDerWaalsContact O-CA 3.26Å; V6-V105 WeakPolarHBondContact O-CA 3.28Å; P8-V105 HydrophobicContact CB-CG1 4.39Å; P8-V105 HydrophobicContact CG-CG1 4.11Å; L80-V105 HydrophobicContact CB-CG1 4.26Å; L80-V105 HydrophobicContact CB-CG2 4.04Å; L80-V105 HydrophobicContact CD1-CG2 4.33Å; L80-V105 HydrophobicContact CD2-CG2 4.32Å; L80-V105 HydrophobicContact CG-CG2 4.48Å; R81-V105 WeakPolarHBondContact O-CB 3.43Å; R81-V105 WeakPolarHBondContact O-CG1 3.41Å; R81-V105 WeakPolarHBondContact O-CG2 3.28Å; D84-V105 HydrophobicContact CB-CG2 4.48Å; T85-V105 PolarHBondContact OG1-N 3.41Å; T85-V105 PolarHBondContact OG1-O 3.47Å; L103-V105 HydrophobicContact CD2-CG2 3.94Å; L103-V105 HydrophobicContact CG-CG2 4.11Å
106	S	91.2	Very high	84.5	Confident	23 Å²	23	79.3 Å²	79.3	16%	0.161	45%	0.452	C	S	.	.			trans	-140.8	147.2	-178.1	-179.2	0	0	0	0	111.2	V6 E108	V6-S106 PolarHBondContact O-N 2.77Å; V6-S106 VanDerWaalsContact O-N 3.1Å; S106-E108 VanDerWaalsContact C-N 3.27Å; S106-E108 WeakPolarHBondContact OG-CB 3.26Å; S106-E108 WeakPolarHBondContact OG-CG 3.44Å; S106-E108 PolarHBondContact OG-N 3.42Å; S106-E108 VanDerWaalsContact OG-N 3.07Å
107	S	83.1	Confident	84.2	Confident	100 Å²	100	79.7 Å²	79.7	70%	0.699	46%	0.463	S	S	*	.	S	Bend	trans	-80.7	-8.3	170.3	51.3	0	0	0	0	113	S109	S107-S109 PolarHBondContact O-N 3.09Å
108	E	76.4	Confident	83.5	Confident	148 Å²	148	79.1 Å²	79.1	69%	0.692	47%	0.472	S	S	*	.			trans	-66.1	132	179.3	-69.6	170.8	163.4	0	0	111	S106	S106-E108 VanDerWaalsContact C-N 3.27Å; S106-E108 WeakPolarHBondContact OG-CB 3.26Å; S106-E108 WeakPolarHBondContact OG-CG 3.44Å; S106-E108 PolarHBondContact OG-N 3.42Å; S106-E108 VanDerWaalsContact OG-N 3.07Å
109	S	60.1	Low	82.8	Confident	108 Å²	108	83.6 Å²	83.6	76%	0.755	49%	0.492	S	S	*	.			trans	-70.5	133.6	165.8	40.7	0	0	0	0	109.1	S107 S111	S107-S109 PolarHBondContact O-N 3.09Å; S109-S111 PolarHBondContact O-N 2.77Å
110	Q	55.6	Low	82.1	Confident	161 Å²	161	74.9 Å²	74.9	75%	0.752	46%	0.46	S	S	*	.			trans	-58.7	112.9	163.3	-73.7	179.2	8.1	0	0	107.4	L5	L5-Q110 HydrophobicContact CD2-CG 3.75Å
111	S	49.8	Very low	81	Confident	186 Å²	186	79.5 Å²	79.5	100%	1.301	48%	0.479	S	S	*	.			trans	-71.2	0	164.6	58.7	0	0	0	0	110.2	S109	S109-S111 PolarHBondContact O-N 2.77Å

Retrieved 111 of 111 residues in 27.6 ms (Link to these results)

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