X5J4Z5_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4Z5, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 109 aa.

						>X5J4Z5_MOUSE|X5J4Z5
GDLVKPGGSLKLSCAASGFTFSSYGMSWVRQTPDKRLEWVATISSGGSYTYYPDSVKGRFTISRDNAKNTLYLQMSSLKSEDTAMYYCARDYSTYFDYWGQGTTLTVSS
					

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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	G	63	Low	88.3	Confident	85 Å²	85	74.2 Å²	74.2	88%	0.876	47%	0.465	S	S	*	.				0	137.3	0	0	0	0	0	0	107.3	T104	G1-T104 CarbonylContact C-O 3.53Å; G1-T104 WeakPolarHBondContact CA-O 3.46Å
2	D	80.3	Confident	89.1	Confident	71 Å²	71	68.6 Å²	68.6	38%	0.38	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	135.1	-170.7	-61.7	-27.4	0	0	0	110	L10 T104 L105 T106	D2-L10 HydrophobicContact CB-CD1 4.29Å; D2-L10 HydrophobicContact CB-CD2 3.69Å; D2-T104 PolarHBondContact N-O 3.3Å; D2-L105 HydrophobicContact CB-CD1 4.42Å; D2-L105 WeakPolarHBondContact O-CD1 3.22Å; D2-T106 PolarHBondContact O-N 2.96Å
3	L	85.8	Confident	89.7	Confident	128 Å²	128	69.5 Å²	69.5	67%	0.67	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.8	122.3	175.4	-178.2	67.1	0	0	0	108.9	T106 S108	L3-T106 WeakPolarHBondContact CA-O 3.14Å; L3-T106 HydrophobicContact CD1-CG2 3.73Å; L3-S108 WeakPolarHBondContact CD1-OG 3.38Å
4	V	88.4	Confident	90.2	Very high	22 Å²	22	65.7 Å²	65.7	13%	0.133	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	143.1	-176.5	-168.4	0	0	0	0	110.2	L10 L78 L105 T106 V107 S108	V4-L10 HydrophobicContact CG2-CB 4.32Å; V4-L10 HydrophobicContact CG2-CD2 4.23Å; V4-L78 HydrophobicContact CB-CD1 4Å; V4-L78 HydrophobicContact CG1-CD1 3.78Å; V4-L78 HydrophobicContact CG2-CD1 4.23Å; V4-L105 HydrophobicContact CG2-CD1 3.89Å; V4-T106 PolarHBondContact N-O 3.04Å; V4-V107 VanDerWaalsContact O-CA 3.26Å; V4-V107 WeakPolarHBondContact O-CA 3.47Å; V4-S108 PolarHBondContact O-N 3.46Å
5	K	88.9	Confident	90.6	Very high	150 Å²	150	66.7 Å²	66.7	65%	0.652	43%	0.433	S	S	*	.			trans	-74.8	150.1	173.2	-68.5	-176	176.6	-175.8	0	111	G7 G8	K5-G7 PolarHBondContact O-N 3.28Å; K5-G8 WeakPolarHBondContact O-CA 3.08Å; K5-G8 PolarHBondContact O-N 3.34Å
6	P	92.2	Very high	90.9	Very high	70 Å²	70	63.6 Å²	63.6	46%	0.455	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	140.4	169.8	-26.1	33.9	0	0	0	112.1	G8 L78 V107	P6-G8 PolarHBondContact O-N 3.29Å; P6-L78 WeakPolarHBondContact CA-O 3.4Å; P6-V107 HydrophobicContact CB-CG1 4.48Å; P6-V107 HydrophobicContact CG-CG1 4.14Å
7	G	91.8	Very high	91	Very high	55 Å²	55	65.9 Å²	65.9	57%	0.567	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	-10	-173	0	0	0	0	0	114.6	K5 L78	K5-G7 PolarHBondContact O-N 3.28Å; G7-L78 PolarHBondContact N-O 2.88Å
8	G	93.3	Very high	91	Very high	23 Å²	23	66.7 Å²	66.7	24%	0.237	45%	0.454	C	S	.	.			trans	-68.1	175.3	176.9	0	0	0	0	0	113.8	K5 P6 S77 L78	K5-G8 WeakPolarHBondContact O-CA 3.08Å; K5-G8 PolarHBondContact O-N 3.34Å; P6-G8 PolarHBondContact O-N 3.29Å; G8-S77 PolarHBondContact O-N 2.96Å; G8-L78 PolarHBondContact O-N 2.02Å
9	S	95.2	Very high	90.9	Very high	71 Å²	71	65.3 Å²	65.3	50%	0.497	44%	0.439	S	S	.	.			trans	-131.6	147.4	176.1	-57.3	0	0	0	0	110.6	M75	S9-M75 CarbonylContact C-O 3.58Å; S9-M75 WeakPolarHBondContact CA-O 3.29Å; S9-M75 WeakPolarHBondContact CB-O 3.46Å
10	L	95.5	Very high	91.1	Very high	34 Å²	34	66.4 Å²	66.4	18%	0.178	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	156.5	177.8	-178	65.6	0	0	0	109.6	D2 V4 L12 Q74 M75 L78 L105	D2-L10 HydrophobicContact CB-CD1 4.29Å; D2-L10 HydrophobicContact CB-CD2 3.69Å; V4-L10 HydrophobicContact CG2-CB 4.32Å; V4-L10 HydrophobicContact CG2-CD2 4.23Å; L10-L12 HydrophobicContact CD2-CD2 3.72Å; L10-L12 HydrophobicContact CG-CD2 4.28Å; L10-Q74 PolarHBondContact O-NE2 2.47Å; L10-M75 PolarHBondContact N-O 2.84Å; L10-M75 PolarHBondContact O-N 3.18Å; L10-L78 HydrophobicContact CB-CD1 4.15Å; L10-L105 HydrophobicContact CD2-CD1 3.49Å; L10-L105 VanDerWaalsContact CD2-CD1 3.49Å
11	K	97	Very high	91.2	Very high	107 Å²	107	63.3 Å²	63.3	47%	0.465	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	115.4	170.9	-171.9	176.4	178.7	178.9	0	110.2	Y72 L73	K11-Y72 VanDerWaalsContact CE-CD1 3.44Å; K11-L73 WeakPolarHBondContact CA-O 3.27Å
12	L	97.4	Very high	92.7	Very high	7 Å²	7	61.7 Å²	61.7	4%	0.037	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	149.6	170.4	-56	-177.6	0	0	0	110.2	L10 W28 Y72 L73 M75 Y86 T103	L10-L12 HydrophobicContact CD2-CD2 3.72Å; L10-L12 HydrophobicContact CG-CD2 4.28Å; L12-W28 HydrophobicContact CB-CH2 3.82Å; L12-W28 HydrophobicContact CB-CZ2 4.04Å; L12-W28 HydrophobicContact CB-CZ3 4.37Å; L12-W28 HydrophobicContact CD1-CH2 4.46Å; L12-W28 HydrophobicContact CD1-CZ3 4.19Å; L12-Y72 VanDerWaalsContact O-CA 3.25Å; L12-Y72 WeakPolarHBondContact O-CA 3.38Å; L12-L73 HydrophobicContact CB-CB 4.28Å; L12-L73 HydrophobicContact CD1-CD2 4.48Å; L12-L73 PolarHBondContact N-O 2.81Å; L12-L73 PolarHBondContact O-N 2.99Å; L12-M75 HydrophobicContact CD1-SD 3.78Å; L12-M75 HydrophobicContact CG-SD 3.92Å; L12-Y86 HydrophobicContact CD1-CD1 4.06Å; L12-Y86 HydrophobicContact CD1-CD2 4.31Å; L12-Y86 HydrophobicContact CD1-CG 3.75Å; L12-T103 HydrophobicContact CD1-CG2 4.13Å; L12-T103 HydrophobicContact CD2-CG2 3.93Å
13	S	97.4	Very high	93.3	Very high	80 Å²	80	61.8 Å²	61.8	56%	0.559	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.6	148.1	173.3	63.5	0	0	0	0	110.7	L71	S13-L71 CarbonylContact C-O 3.44Å; S13-L71 VanDerWaalsContact CA-O 3.31Å; S13-L71 WeakPolarHBondContact CA-O 3.32Å
14	C	97	Very high	93.7	Very high	17 Å²	17	58.7 Å²	58.7	12%	0.115	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	110.4	174.3	164.2	0	0	0	0	109.1	W28 T70 L71 C88	C14-W28 HydrophobicContact CB-CH2 3.84Å; C14-W28 HydrophobicContact CB-CZ2 3.88Å; C14-T70 CarbonylContact O-C 3.35Å; C14-T70 WeakPolarHBondContact O-CA 3.45Å; C14-L71 HydrophobicContact CB-CB 4.37Å; C14-L71 PolarHBondContact N-O 2.97Å; C14-L71 PolarHBondContact O-N 2.82Å; C14-C88 HydrophobicContact CB-CB 3.46Å; C14-C88 VanDerWaalsContact CB-CB 3.46Å; C14-C88 WeakPolarHBondContact CB-SG 3.43Å; C14-C88 WeakPolarHBondContact SG-CB 3.31Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.82Å
15	A	96.5	Very high	94.1	Very high	81 Å²	81	58.2 Å²	58.2	67%	0.669	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	122.9	173.6	0	0	0	0	0	109.3
16	A	93.9	Very high	94.5	Very high	16 Å²	16	51.3 Å²	51.3	13%	0.132	36%	0.355	C	S	.	.			trans	-91	143.7	178	0	0	0	0	0	111.2	F19 F21 N69	A16-F19 HydrophobicContact CB-CE1 4.05Å; A16-F19 HydrophobicContact CB-CE2 4.34Å; A16-F19 HydrophobicContact CB-CZ 3.67Å; A16-F21 HydrophobicContact CB-CB 4.4Å; A16-F21 HydrophobicContact CB-CD2 3.45Å; A16-F21 VanDerWaalsContact CB-CD2 3.45Å; A16-F21 HydrophobicContact CB-CE2 4.06Å; A16-F21 HydrophobicContact CB-CG 4.26Å; A16-N69 PolarHBondContact N-O 2.67Å
17	S	92.7	Very high	94.7	Very high	103 Å²	103	48 Å²	48	72%	0.72	33%	0.333	S	S	*	.			trans	-143.1	159.6	174.3	62.7	0	0	0	0	110.1	F19	S17-F19 WeakPolarHBondContact O-CD1 3.33Å; S17-F19 PolarHBondContact O-N 2.83Å
18	G	91	Very high	95	Very high	81 Å²	81	45.6 Å²	45.6	84%	0.835	31%	0.307	S	S	*	.	S	Bend	trans	83.9	1.3	177.4	0	0	0	0	0	116
19	F	90.4	Very high	95.2	Very high	39 Å²	39	44.7 Å²	44.7	17%	0.171	30%	0.297	C	S	.	.	S	Bend	trans	-154.9	163.5	173.3	61.7	-86.4	0	0	0	111.9	A16 S17 F21 Y24 M26 R90	A16-F19 HydrophobicContact CB-CE1 4.05Å; A16-F19 HydrophobicContact CB-CE2 4.34Å; A16-F19 HydrophobicContact CB-CZ 3.67Å; S17-F19 WeakPolarHBondContact O-CD1 3.33Å; S17-F19 PolarHBondContact O-N 2.83Å; F19-F21 HydrophobicContact CE2-CB 4.35Å; F19-F21 HydrophobicContact CE2-CD2 4.22Å; F19-F21 HydrophobicContact CZ-CD2 4.48Å; F19-F21 PolarHBondContact O-N 3.1Å; F19-Y24 HydrophobicContact CB-CE2 4.4Å; F19-Y24 AromaticContact CD2-CD2 3.68Å; F19-Y24 HydrophobicContact CD2-CD2 3.68Å; F19-Y24 HydrophobicContact CD2-CE2 4.12Å; F19-Y24 HydrophobicContact CE2-CD2 4.24Å; F19-M26 HydrophobicContact CE2-SD 4.09Å; F19-M26 HydrophobicContact CZ-CE 4.31Å; F19-M26 HydrophobicContact CZ-SD 4.08Å; F19-R90 HydrophobicContact CE2-CG 4.13Å; F19-R90 HydrophobicContact CZ-CB 4.3Å; F19-R90 HydrophobicContact CZ-CG 4.32Å
20	T	93.5	Very high	95.3	Very high	88 Å²	88	42 Å²	42	54%	0.54	28%	0.276	S	S	.	.			trans	-72.8	90.8	174.4	-50.3	0	0	0	0	110.3	S22 S23 Y24	T20-S22 VanDerWaalsContact C-N 3.25Å; T20-S22 PolarHBondContact O-N 3.07Å; T20-S22 VanDerWaalsContact O-N 3.17Å; T20-S23 VanDerWaalsContact CG2-OG 3.29Å; T20-S23 WeakPolarHBondContact CG2-OG 3.43Å; T20-S23 WeakPolarHBondContact O-CB 3.28Å; T20-S23 PolarHBondContact O-N 2.99Å; T20-Y24 VanDerWaalsContact O-CD2 3.26Å; T20-Y24 WeakPolarHBondContact O-CD2 3.42Å
21	F	94.1	Very high	95.3	Very high	1 Å²	1	43.3 Å²	43.3	0%	0.004	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-51.3	-40.7	-174.9	178.1	-101.7	0	0	0	113.8	A16 F19 S23 Y24 M26 R64 N66 N69 L71	A16-F21 HydrophobicContact CB-CB 4.4Å; A16-F21 HydrophobicContact CB-CD2 3.45Å; A16-F21 VanDerWaalsContact CB-CD2 3.45Å; A16-F21 HydrophobicContact CB-CE2 4.06Å; A16-F21 HydrophobicContact CB-CG 4.26Å; F19-F21 HydrophobicContact CE2-CB 4.35Å; F19-F21 HydrophobicContact CE2-CD2 4.22Å; F19-F21 HydrophobicContact CZ-CD2 4.48Å; F19-F21 PolarHBondContact O-N 3.1Å; F21-S23 PolarHBondContact O-N 2.94Å; F21-Y24 PolarHBondContact O-N 2.83Å; F21-M26 HydrophobicContact CD2-CE 4.44Å; F21-M26 HydrophobicContact CD2-CG 4.12Å; F21-M26 HydrophobicContact CD2-SD 4.04Å; F21-M26 HydrophobicContact CE2-CE 4.02Å; F21-M26 HydrophobicContact CE2-CG 3.55Å; F21-M26 HydrophobicContact CE2-SD 3.91Å; F21-M26 HydrophobicContact CZ-CG 4.08Å; F21-R64 VanDerWaalsContact CD1-NH2 3.27Å; F21-R64 HydrophobicContact CE1-CB 4.12Å; F21-R64 VanDerWaalsContact CE1-NH2 3.28Å; F21-R64 HydrophobicContact CZ-CB 4.16Å; F21-R64 PolarHBondContact O-NH2 2.77Å; F21-N66 WeakPolarHBondContact CD1-OD1 3.47Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.18Å; F21-N69 HydrophobicContact CB-CB 3.91Å; F21-N69 WeakPolarHBondContact CB-OD1 3.45Å; F21-N69 HydrophobicContact CD1-CB 4.43Å; F21-N69 HydrophobicContact CG-CB 4.17Å; F21-L71 HydrophobicContact CE2-CB 4.32Å; F21-L71 HydrophobicContact CZ-CB 4.17Å
22	S	94.4	Very high	95.3	Very high	52 Å²	52	38.8 Å²	38.8	36%	0.364	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-65.4	-15.8	179.2	56.3	0	0	0	0	114.6	T20 S45	T20-S22 VanDerWaalsContact C-N 3.25Å; T20-S22 PolarHBondContact O-N 3.07Å; T20-S22 VanDerWaalsContact O-N 3.17Å; S22-S45 WeakPolarHBondContact O-CB 3.26Å
23	S	93.6	Very high	95	Very high	72 Å²	72	43.5 Å²	43.5	50%	0.503	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-85.8	-11.6	179	-57.5	0	0	0	0	113.6	T20 F21	T20-S23 VanDerWaalsContact CG2-OG 3.29Å; T20-S23 WeakPolarHBondContact CG2-OG 3.43Å; T20-S23 WeakPolarHBondContact O-CB 3.28Å; T20-S23 PolarHBondContact O-N 2.99Å; F21-S23 PolarHBondContact O-N 2.94Å
24	Y	94.2	Very high	94.8	Very high	63 Å²	63	44.6 Å²	44.6	25%	0.247	29%	0.293	C	S	.	.	S	Bend	trans	-123.1	146.7	-171.3	-61.1	-80.5	0	0	0	113.3	F19 T20 F21 S45 R64 R90 Y92	F19-Y24 HydrophobicContact CB-CE2 4.4Å; F19-Y24 AromaticContact CD2-CD2 3.68Å; F19-Y24 HydrophobicContact CD2-CD2 3.68Å; F19-Y24 HydrophobicContact CD2-CE2 4.12Å; F19-Y24 HydrophobicContact CE2-CD2 4.24Å; T20-Y24 VanDerWaalsContact O-CD2 3.26Å; T20-Y24 WeakPolarHBondContact O-CD2 3.42Å; F21-Y24 PolarHBondContact O-N 2.83Å; Y24-S45 VanDerWaalsContact O-CA 3.28Å; Y24-S45 WeakPolarHBondContact O-CA 3.08Å; Y24-R64 PolarHBondContact O-NH1 2.8Å; Y24-R90 HydrophobicContact CD1-CG 4.25Å; Y24-R90 HydrophobicContact CG-CG 3.92Å; Y24-Y92 HydrophobicContact CD1-CD2 4.12Å; Y24-Y92 AromaticContact CE1-CD2 3.52Å; Y24-Y92 HydrophobicContact CE1-CD2 3.52Å; Y24-Y92 AromaticContact CE1-CE2 3.77Å; Y24-Y92 HydrophobicContact CE1-CE2 3.77Å
25	G	95.3	Very high	94.6	Very high	13 Å²	13	51.8 Å²	51.8	13%	0.134	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	152.4	161.2	0	0	0	0	0	110.1	I43 D91	G25-I43 VanDerWaalsContact CA-O 3.29Å; G25-I43 WeakPolarHBondContact CA-O 3.05Å; G25-D91 PolarHBondContact O-N 2.85Å
26	M	97	Very high	94.5	Very high	5 Å²	5	54.7 Å²	54.7	3%	0.025	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	144.5	-178.9	-63.1	-66	-56.4	0	0	109.4	F19 F21 T42 I43 L71 A89 R90 D91	F19-M26 HydrophobicContact CE2-SD 4.09Å; F19-M26 HydrophobicContact CZ-CE 4.31Å; F19-M26 HydrophobicContact CZ-SD 4.08Å; F21-M26 HydrophobicContact CD2-CE 4.44Å; F21-M26 HydrophobicContact CD2-CG 4.12Å; F21-M26 HydrophobicContact CD2-SD 4.04Å; F21-M26 HydrophobicContact CE2-CE 4.02Å; F21-M26 HydrophobicContact CE2-CG 3.55Å; F21-M26 HydrophobicContact CE2-SD 3.91Å; F21-M26 HydrophobicContact CZ-CG 4.08Å; M26-T42 WeakPolarHBondContact O-CA 3.44Å; M26-I43 HydrophobicContact CB-CG2 4.2Å; M26-I43 PolarHBondContact N-O 3.09Å; M26-I43 PolarHBondContact O-N 2.96Å; M26-L71 HydrophobicContact CB-CD1 3.78Å; M26-L71 HydrophobicContact CB-CD2 3.86Å; M26-L71 HydrophobicContact CB-CG 4.37Å; M26-A89 WeakPolarHBondContact CA-O 3.28Å; M26-A89 WeakPolarHBondContact CE-O 3.42Å; M26-R90 HydrophobicContact CE-CB 4.48Å; M26-R90 HydrophobicContact SD-CB 4.02Å; M26-R90 HydrophobicContact SD-CG 4.11Å; M26-D91 PolarHBondContact N-OD2 3.13Å
27	S	97.3	Very high	94.5	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	154.3	-178.1	-60.8	0	0	0	0	112	W39 A41 T42 C88 A89 D91	S27-W39 WeakPolarHBondContact OG-CZ2 3.28Å; S27-A41 CarbonylContact C-O 3.5Å; S27-A41 WeakPolarHBondContact CA-O 3.26Å; S27-A41 WeakPolarHBondContact CB-O 3.32Å; S27-T42 PolarHBondContact OG-OG1 2.85Å; S27-C88 CarbonylContact O-C 3.58Å; S27-C88 VanDerWaalsContact O-CA 3.32Å; S27-C88 WeakPolarHBondContact O-CA 3.26Å; S27-A89 PolarHBondContact N-O 3.17Å; S27-A89 PolarHBondContact O-N 2.96Å; S27-D91 WeakPolarHBondContact CB-OD1 3.25Å; S27-D91 PolarHBondContact OG-OD1 2.82Å; S27-D91 PolarHBondContact OG-OD2 2.98Å
28	W	97.9	Very high	94.6	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.015	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	133.1	162.3	-76.7	96.7	0	0	0	108.9	L12 C14 V40 A41 L71 L73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 3.82Å; L12-W28 HydrophobicContact CB-CZ2 4.04Å; L12-W28 HydrophobicContact CB-CZ3 4.37Å; L12-W28 HydrophobicContact CD1-CH2 4.46Å; L12-W28 HydrophobicContact CD1-CZ3 4.19Å; C14-W28 HydrophobicContact CB-CH2 3.84Å; C14-W28 HydrophobicContact CB-CZ2 3.88Å; W28-V40 HydrophobicContact CB-CB 4.04Å; W28-V40 HydrophobicContact CB-CG1 4.45Å; W28-V40 WeakPolarHBondContact O-CA 3.4Å; W28-V40 WeakPolarHBondContact O-CB 3.45Å; W28-V40 PolarHBondContact O-N 3.02Å; W28-A41 PolarHBondContact N-O 2.93Å; W28-A41 PolarHBondContact O-N 3.12Å; W28-L71 HydrophobicContact CD2-CD2 4.46Å; W28-L71 HydrophobicContact CG-CD2 4.34Å; W28-L71 HydrophobicContact CZ2-CD2 4.48Å; W28-L71 VanDerWaalsContact NE1-CD2 3.29Å; W28-L73 HydrophobicContact CB-CD2 4.21Å; W28-L73 HydrophobicContact CD2-CB 4.16Å; W28-L73 HydrophobicContact CD2-CD2 4.3Å; W28-L73 HydrophobicContact CG-CB 4.14Å; W28-L73 HydrophobicContact CG-CD1 4.43Å; W28-L73 HydrophobicContact CG-CD2 4.02Å; W28-L73 HydrophobicContact CG-CG 4.44Å; W28-L73 HydrophobicContact CZ2-CB 4.38Å; W28-Y87 WeakPolarHBondContact CA-O 3.37Å; W28-Y87 VanDerWaalsContact CE3-C 3.48Å; W28-C88 HydrophobicContact CD2-CB 4.47Å; W28-C88 HydrophobicContact CE3-CB 4.36Å; W28-C88 HydrophobicContact CH2-CB 4.29Å; W28-C88 HydrophobicContact CZ2-CB 4.39Å; W28-C88 HydrophobicContact CZ3-CB 4.27Å
29	V	97.3	Very high	94.8	Very high	5 Å²	5	56.5 Å²	56.5	3%	0.03	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	143.1	175.1	-174.7	0	0	0	0	107	L37 E38 Y87 F96 W99	V29-L37 HydrophobicContact CG1-CB 4.43Å; V29-L37 HydrophobicContact CG1-CD2 4.13Å; V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 3.42Å; V29-E38 VanDerWaalsContact CG1-O 3.32Å; V29-E38 WeakPolarHBondContact CG1-O 3.17Å; V29-Y87 PolarHBondContact N-O 3.46Å; V29-Y87 PolarHBondContact O-N 3.49Å; V29-Y87 VanDerWaalsContact O-O 3.13Å; V29-F96 HydrophobicContact CG2-CE2 3.84Å; V29-F96 HydrophobicContact CG2-CZ 3.68Å; V29-W99 HydrophobicContact CB-CH2 3.98Å; V29-W99 HydrophobicContact CB-CZ3 3.67Å; V29-W99 HydrophobicContact CG1-CH2 3.88Å; V29-W99 HydrophobicContact CG1-CZ3 3.85Å; V29-W99 HydrophobicContact CG2-CH2 3.82Å; V29-W99 HydrophobicContact CG2-CZ3 3.9Å
30	R	97.1	Very high	95.2	Very high	15 Å²	15	54.6 Å²	54.6	6%	0.057	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	146.2	173.9	71.9	-177.5	-178.2	-177.6	6.1	111.2	L37 E38 V40 D82 A84 M85 Y86	R30-L37 CarbonylContact O-C 3.51Å; R30-L37 WeakPolarHBondContact O-CA 3.2Å; R30-E38 HydrophobicContact CG-CB 3.96Å; R30-E38 IonicContact CZ-OE2 2.79Å; R30-E38 VanDerWaalsContact CZ-OE2 3.28Å; R30-E38 PolarHBondContact N-O 3.49Å; R30-E38 IonicContact NE-OE2 3.02Å; R30-E38 PolarHBondContact NE-OE2 3.41Å; R30-E38 IonicContact NH2-OE2 2.88Å; R30-E38 PolarHBondContact NH2-OE2 2.93Å; R30-E38 PolarHBondContact O-N 3.03Å; R30-V40 HydrophobicContact CB-CG2 3.78Å; R30-V40 HydrophobicContact CG-CG2 3.6Å; R30-D82 IonicContact NH1-OD1 3.14Å; R30-D82 PolarHBondContact NH1-OD1 2.92Å; R30-A84 HydrophobicContact CB-CB 3.83Å; R30-A84 HydrophobicContact CG-CB 4.15Å; R30-M85 CarbonylContact C-O 3.57Å; R30-M85 WeakPolarHBondContact CA-O 3.29Å; R30-Y86 HydrophobicContact CB-CD1 3.82Å; R30-Y86 HydrophobicContact CB-CD2 4.45Å; R30-Y86 HydrophobicContact CB-CE1 3.75Å; R30-Y86 HydrophobicContact CB-CE2 4.37Å; R30-Y86 HydrophobicContact CB-CG 4.17Å; R30-Y86 WeakPolarHBondContact CD-OH 3.27Å; R30-Y86 HydrophobicContact CG-CE1 4.39Å; R30-Y86 PolarHBondContact NH1-OH 3.12Å
31	Q	97.2	Very high	95.4	Very high	61 Å²	61	50.4 Å²	50.4	29%	0.285	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	113.4	168.2	-172.4	175.4	38.4	0	0	108.7	R36 L37 A84 M85 Y87	Q31-R36 WeakPolarHBondContact CA-O 3.47Å; Q31-L37 HydrophobicContact CB-CD2 3.78Å; Q31-L37 HydrophobicContact CG-CD2 4.17Å; Q31-A84 WeakPolarHBondContact O-CA 3.36Å; Q31-A84 VanDerWaalsContact O-CB 3.28Å; Q31-A84 WeakPolarHBondContact O-CB 3.07Å; Q31-M85 HydrophobicContact CB-CB 4.42Å; Q31-M85 PolarHBondContact N-O 3.22Å; Q31-M85 PolarHBondContact O-N 2.79Å; Q31-Y87 HydrophobicContact CB-CE2 3.74Å; Q31-Y87 PolarHBondContact OE1-OH 2.88Å; Q31-Y87 VanDerWaalsContact OE1-OH 3.1Å
32	T	95	Very high	95.5	Very high	12 Å²	12	51.2 Å²	51.2	7%	0.074	26%	0.258	C	S	.	.			trans	-71	164.4	177.5	51.6	0	0	0	0	111	D34 K35 R36 E38	T32-D34 WeakPolarHBondContact CB-OD1 3.29Å; T32-D34 PolarHBondContact O-N 3.32Å; T32-D34 PolarHBondContact OG1-OD1 3.02Å; T32-K35 WeakPolarHBondContact O-CA 3.04Å; T32-K35 PolarHBondContact O-N 2.94Å; T32-R36 PolarHBondContact N-O 3.09Å; T32-R36 WeakPolarHBondContact OG1-CB 3.46Å; T32-R36 PolarHBondContact OG1-N 3.13Å; T32-R36 PolarHBondContact OG1-O 3.04Å; T32-R36 VanDerWaalsContact OG1-O 3.07Å; T32-E38 HydrophobicContact CG2-CG 4.42Å
33	P	92.6	Very high	95.7	Very high	106 Å²	106	49.1 Å²	49.1	69%	0.688	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-28.3	-179.4	-27.3	36.4	0	0	0	114.8	K35 T83	P33-K35 PolarHBondContact O-N 3.18Å; P33-T83 WeakPolarHBondContact CD-O 3.5Å
34	D	93.8	Very high	95.7	Very high	103 Å²	103	47 Å²	47	55%	0.551	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	11.6	172.2	65.1	-37.1	0	0	0	113.4	T32 R36	T32-D34 WeakPolarHBondContact CB-OD1 3.29Å; T32-D34 PolarHBondContact O-N 3.32Å; T32-D34 PolarHBondContact OG1-OD1 3.02Å; D34-R36 PolarHBondContact O-N 3.24Å
35	K	91.4	Very high	95.7	Very high	168 Å²	168	46.4 Å²	46.4	73%	0.73	23%	0.233	S	C	*	.			trans	66.9	13.2	176.9	-52.6	-179.8	179.5	179	0	115	T32 P33	T32-K35 WeakPolarHBondContact O-CA 3.04Å; T32-K35 PolarHBondContact O-N 2.94Å; P33-K35 PolarHBondContact O-N 3.18Å
36	R	94.2	Very high	95.3	Very high	142 Å²	142	48.7 Å²	48.7	54%	0.536	26%	0.256	S	S	.	.			trans	-74.1	130.6	172.7	-177	171.1	69	-152	1.8	110.1	Q31 T32 D34 E38	Q31-R36 WeakPolarHBondContact CA-O 3.47Å; T32-R36 PolarHBondContact N-O 3.09Å; T32-R36 WeakPolarHBondContact OG1-CB 3.46Å; T32-R36 PolarHBondContact OG1-N 3.13Å; T32-R36 PolarHBondContact OG1-O 3.04Å; T32-R36 VanDerWaalsContact OG1-O 3.07Å; D34-R36 PolarHBondContact O-N 3.24Å; R36-E38 HydrophobicContact CG-CG 4.18Å; R36-E38 IonicContact CZ-OE1 2.67Å; R36-E38 IonicContact NE-OE1 3.28Å; R36-E38 PolarHBondContact NE-OE1 2.82Å; R36-E38 IonicContact NH2-OE1 2.83Å; R36-E38 PolarHBondContact NH2-OE1 3.28Å
37	L	94.4	Very high	95.1	Very high	99 Å²	99	49.8 Å²	49.8	52%	0.518	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	127.3	170.7	-72.5	170.5	0	0	0	109.4	V29 R30 Q31	V29-L37 HydrophobicContact CG1-CB 4.43Å; V29-L37 HydrophobicContact CG1-CD2 4.13Å; R30-L37 CarbonylContact O-C 3.51Å; R30-L37 WeakPolarHBondContact O-CA 3.2Å; Q31-L37 HydrophobicContact CB-CD2 3.78Å; Q31-L37 HydrophobicContact CG-CD2 4.17Å
38	E	95.5	Very high	94.9	Very high	35 Å²	35	55.3 Å²	55.3	16%	0.164	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	132.2	-179.7	-63.7	-177	170.3	0	0	110	V29 R30 T32 R36	V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 3.42Å; V29-E38 VanDerWaalsContact CG1-O 3.32Å; V29-E38 WeakPolarHBondContact CG1-O 3.17Å; R30-E38 HydrophobicContact CG-CB 3.96Å; R30-E38 IonicContact CZ-OE2 2.79Å; R30-E38 VanDerWaalsContact CZ-OE2 3.28Å; R30-E38 PolarHBondContact N-O 3.49Å; R30-E38 IonicContact NE-OE2 3.02Å; R30-E38 PolarHBondContact NE-OE2 3.41Å; R30-E38 IonicContact NH2-OE2 2.88Å; R30-E38 PolarHBondContact NH2-OE2 2.93Å; R30-E38 PolarHBondContact O-N 3.03Å; T32-E38 HydrophobicContact CG2-CG 4.42Å; R36-E38 HydrophobicContact CG-CG 4.18Å; R36-E38 IonicContact CZ-OE1 2.67Å; R36-E38 IonicContact NE-OE1 3.28Å; R36-E38 PolarHBondContact NE-OE1 2.82Å; R36-E38 IonicContact NH2-OE1 2.83Å; R36-E38 PolarHBondContact NH2-OE1 3.28Å
39	W	95.2	Very high	94.8	Very high	103 Å²	103	61.5 Å²	61.5	39%	0.39	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	140.6	169.9	-154.1	-79.8	0	0	0	110.4	S27 T42 P53 F96	S27-W39 WeakPolarHBondContact OG-CZ2 3.28Å; W39-T42 WeakPolarHBondContact CZ2-OG1 3.43Å; W39-T42 PolarHBondContact NE1-OG1 3.2Å; W39-P53 WeakPolarHBondContact O-CG 3.47Å; W39-F96 HydrophobicContact CD2-CZ 4.07Å; W39-F96 AromaticContact CE3-CE2 3.59Å; W39-F96 HydrophobicContact CE3-CE2 3.59Å; W39-F96 AromaticContact CE3-CZ 3.48Å; W39-F96 HydrophobicContact CE3-CZ 3.48Å; W39-F96 VanDerWaalsContact CE3-CZ 3.48Å; W39-F96 HydrophobicContact CH2-CD1 4.43Å; W39-F96 AromaticContact CH2-CE1 3.35Å; W39-F96 HydrophobicContact CH2-CE1 3.35Å; W39-F96 AromaticContact CH2-CE2 3.52Å; W39-F96 HydrophobicContact CH2-CE2 3.52Å; W39-F96 AromaticContact CH2-CZ 2.85Å; W39-F96 HydrophobicContact CH2-CZ 2.85Å; W39-F96 AromaticContact CZ2-CE1 3.87Å; W39-F96 HydrophobicContact CZ2-CE1 3.87Å; W39-F96 HydrophobicContact CZ2-CE2 4.43Å; W39-F96 AromaticContact CZ2-CZ 3.47Å; W39-F96 HydrophobicContact CZ2-CZ 3.47Å; W39-F96 VanDerWaalsContact CZ2-CZ 3.47Å; W39-F96 HydrophobicContact CZ3-CD2 4.14Å; W39-F96 AromaticContact CZ3-CE1 3.82Å; W39-F96 HydrophobicContact CZ3-CE1 3.82Å; W39-F96 AromaticContact CZ3-CE2 3Å; W39-F96 HydrophobicContact CZ3-CE2 3Å; W39-F96 AromaticContact CZ3-CZ 2.86Å; W39-F96 HydrophobicContact CZ3-CZ 2.86Å
40	V	97.4	Very high	94.8	Very high	0 Å²	0	64 Å²	64	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	-48.8	-178.7	-179.3	0	0	0	0	111.7	W28 R30 P53 V56 F60 L73 Y86	W28-V40 HydrophobicContact CB-CB 4.04Å; W28-V40 HydrophobicContact CB-CG1 4.45Å; W28-V40 WeakPolarHBondContact O-CA 3.4Å; W28-V40 WeakPolarHBondContact O-CB 3.45Å; W28-V40 PolarHBondContact O-N 3.02Å; R30-V40 HydrophobicContact CB-CG2 3.78Å; R30-V40 HydrophobicContact CG-CG2 3.6Å; V40-P53 WeakPolarHBondContact O-CD 3.45Å; V40-V56 HydrophobicContact CG1-CG2 4.38Å; V40-V56 VanDerWaalsContact O-CG2 3.29Å; V40-V56 WeakPolarHBondContact O-CG2 3.36Å; V40-F60 HydrophobicContact CG1-CD2 3.67Å; V40-F60 HydrophobicContact CG1-CE2 4.06Å; V40-L73 HydrophobicContact CG1-CD1 4.49Å; V40-L73 HydrophobicContact CG1-CD2 3.86Å; V40-Y86 HydrophobicContact CG1-CE1 4.39Å; V40-Y86 HydrophobicContact CG2-CD1 4.38Å; V40-Y86 HydrophobicContact CG2-CE1 4.05Å
41	A	97.8	Very high	94.8	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	155.4	178.1	0	0	0	0	0	111.1	S27 W28 Y51 Y52 I62 L73	S27-A41 CarbonylContact C-O 3.5Å; S27-A41 WeakPolarHBondContact CA-O 3.26Å; S27-A41 WeakPolarHBondContact CB-O 3.32Å; W28-A41 PolarHBondContact N-O 2.93Å; W28-A41 PolarHBondContact O-N 3.12Å; A41-Y51 CarbonylContact C-O 3.48Å; A41-Y51 VanDerWaalsContact CA-O 3.26Å; A41-Y51 WeakPolarHBondContact CA-O 3.34Å; A41-Y52 HydrophobicContact CB-CD1 3.66Å; A41-Y52 HydrophobicContact CB-CE1 3.72Å; A41-I62 HydrophobicContact CB-CB 3.82Å; A41-I62 HydrophobicContact CB-CD1 3.96Å; A41-I62 HydrophobicContact CB-CG1 4.43Å; A41-I62 HydrophobicContact CB-CG2 4.03Å; A41-L73 HydrophobicContact CB-CD1 4.17Å
42	T	96.9	Very high	94.9	Very high	18 Å²	18	67.7 Å²	67.7	11%	0.11	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	147	172.6	-62.8	0	0	0	0	110.9	M26 S27 W39 T50 Y51 D91	M26-T42 WeakPolarHBondContact O-CA 3.44Å; S27-T42 PolarHBondContact OG-OG1 2.85Å; W39-T42 WeakPolarHBondContact CZ2-OG1 3.43Å; W39-T42 PolarHBondContact NE1-OG1 3.2Å; T42-T50 CarbonylContact O-C 3.6Å; T42-T50 WeakPolarHBondContact O-CA 3.47Å; T42-Y51 PolarHBondContact N-O 2.69Å; T42-Y51 PolarHBondContact O-N 2.86Å; T42-D91 VanDerWaalsContact CG2-OD2 3.27Å; T42-D91 WeakPolarHBondContact CG2-OD2 3.37Å
43	I	97.6	Very high	94.9	Very high	7 Å²	7	68.2 Å²	68.2	4%	0.036	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	132.3	170.6	-170.7	160.1	0	0	0	110.1	G25 M26 Y49 T50 I62 R64 L71	G25-I43 VanDerWaalsContact CA-O 3.29Å; G25-I43 WeakPolarHBondContact CA-O 3.05Å; M26-I43 HydrophobicContact CB-CG2 4.2Å; M26-I43 PolarHBondContact N-O 3.09Å; M26-I43 PolarHBondContact O-N 2.96Å; I43-Y49 WeakPolarHBondContact CA-O 3.35Å; I43-T50 HydrophobicContact CB-CG2 4.15Å; I43-T50 HydrophobicContact CD1-CG2 3.97Å; I43-T50 HydrophobicContact CG1-CG2 3.86Å; I43-I62 HydrophobicContact CB-CD1 4Å; I43-I62 HydrophobicContact CB-CG1 4.22Å; I43-I62 HydrophobicContact CB-CG2 3.97Å; I43-I62 HydrophobicContact CG2-CD1 3.72Å; I43-I62 HydrophobicContact CG2-CG1 4.03Å; I43-R64 HydrophobicContact CD1-CB 4.26Å; I43-R64 HydrophobicContact CD1-CG 3.76Å; I43-R64 HydrophobicContact CG1-CG 4.41Å; I43-L71 HydrophobicContact CG2-CD1 3.54Å
44	S	95.6	Very high	95.1	Very high	28 Å²	28	69.8 Å²	69.8	20%	0.196	37%	0.366	C	S	.	.			trans	-65.4	164.4	176.9	66.3	0	0	0	0	112.2	G46 G47 S48 Y49 R64	S44-G46 VanDerWaalsContact C-N 3.27Å; S44-G46 PolarHBondContact O-N 2.8Å; S44-G47 PolarHBondContact O-N 3.28Å; S44-G47 PolarHBondContact OG-N 2.67Å; S44-S48 PolarHBondContact OG-N 2.98Å; S44-S48 PolarHBondContact OG-OG 3.24Å; S44-Y49 PolarHBondContact N-O 2.97Å; S44-Y49 PolarHBondContact OG-N 2.94Å; S44-R64 PolarHBondContact O-NH1 2.83Å
45	S	93	Very high	95.1	Very high	51 Å²	51	67.9 Å²	67.9	36%	0.357	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-43.7	178.2	55.3	0	0	0	0	113.6	S22 Y24 R64	S22-S45 WeakPolarHBondContact O-CB 3.26Å; Y24-S45 VanDerWaalsContact O-CA 3.28Å; Y24-S45 WeakPolarHBondContact O-CA 3.08Å; S45-R64 PolarHBondContact O-NE 3.17Å; S45-R64 PolarHBondContact O-NH1 2.91Å; S45-R64 VanDerWaalsContact O-NH1 3.11Å; S45-R64 PolarHBondContact O-NH2 3.14Å
46	G	86.5	Confident	95.3	Very high	60 Å²	60	59.9 Å²	59.9	62%	0.619	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-6.5	176.6	0	0	0	0	0	115	S44 S48	S44-G46 VanDerWaalsContact C-N 3.27Å; S44-G46 PolarHBondContact O-N 2.8Å; G46-S48 PolarHBondContact O-N 2.71Å
47	G	92.9	Very high	95.4	Very high	29 Å²	29	59.5 Å²	59.5	30%	0.299	33%	0.328	S	S	.	.	S	Bend	trans	73.9	4.1	-176.7	0	0	0	0	0	115.5	S44 Y49	S44-G47 PolarHBondContact O-N 3.28Å; S44-G47 PolarHBondContact OG-N 2.67Å; G47-Y49 VanDerWaalsContact C-N 3.3Å; G47-Y49 PolarHBondContact O-N 2.86Å
48	S	93.4	Very high	95.5	Very high	116 Å²	116	58.7 Å²	58.7	81%	0.811	34%	0.344	S	S	*	.	S	Bend	trans	-72.8	-22	-178.5	56.3	0	0	0	0	113.9	S44 G46	S44-S48 PolarHBondContact OG-N 2.98Å; S44-S48 PolarHBondContact OG-OG 3.24Å; G46-S48 PolarHBondContact O-N 2.71Å
49	Y	95.9	Very high	95.6	Very high	134 Å²	134	58.6 Å²	58.6	53%	0.525	34%	0.342	S	S	.	.			trans	-125.2	134.5	-179.2	175.2	-95.9	0	0	0	109.7	I43 S44 G47	I43-Y49 WeakPolarHBondContact CA-O 3.35Å; S44-Y49 PolarHBondContact N-O 2.97Å; S44-Y49 PolarHBondContact OG-N 2.94Å; G47-Y49 VanDerWaalsContact C-N 3.3Å; G47-Y49 PolarHBondContact O-N 2.86Å
50	T	97.8	Very high	95.7	Very high	58 Å²	58	53.9 Å²	53.9	36%	0.356	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	145.6	170.1	57.4	0	0	0	0	110.6	T42 I43 I62	T42-T50 CarbonylContact O-C 3.6Å; T42-T50 WeakPolarHBondContact O-CA 3.47Å; I43-T50 HydrophobicContact CB-CG2 4.15Å; I43-T50 HydrophobicContact CD1-CG2 3.97Å; I43-T50 HydrophobicContact CG1-CG2 3.86Å; T50-I62 HydrophobicContact CG2-CG2 3.72Å
51	Y	97.3	Very high	95.8	Very high	112 Å²	112	57.6 Å²	57.6	44%	0.439	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	142.3	175.1	175	-98.1	0	0	0	110.3	A41 T42	A41-Y51 CarbonylContact C-O 3.48Å; A41-Y51 VanDerWaalsContact CA-O 3.26Å; A41-Y51 WeakPolarHBondContact CA-O 3.34Å; T42-Y51 PolarHBondContact N-O 2.69Å; T42-Y51 PolarHBondContact O-N 2.86Å
52	Y	97.9	Very high	95.8	Very high	41 Å²	41	57.9 Å²	57.9	16%	0.161	35%	0.348	C	S	.	.			trans	-139.7	134	175.5	-53.6	-88.2	0	0	0	109.2	A41 F60 T61 I62	A41-Y52 HydrophobicContact CB-CD1 3.66Å; A41-Y52 HydrophobicContact CB-CE1 3.72Å; Y52-F60 VanDerWaalsContact CE1-O 3.29Å; Y52-F60 WeakPolarHBondContact CE1-O 3.29Å; Y52-T61 WeakPolarHBondContact OH-CA 3.38Å; Y52-I62 HydrophobicContact CE1-CB 4.27Å; Y52-I62 HydrophobicContact CE1-CG2 3.95Å; Y52-I62 WeakPolarHBondContact OH-CG2 3.49Å; Y52-I62 PolarHBondContact OH-N 3.33Å
53	P	96.7	Very high	95.9	Very high	23 Å²	23	59.1 Å²	59.1	15%	0.149	36%	0.358	C	S	.	.			trans	-72.3	157.7	168.5	29.6	-28.4	0	0	0	111	W39 V40 S55 V56 K57	W39-P53 WeakPolarHBondContact O-CG 3.47Å; V40-P53 WeakPolarHBondContact O-CD 3.45Å; P53-S55 PolarHBondContact O-N 3.49Å; P53-S55 VanDerWaalsContact O-N 3.09Å; P53-V56 HydrophobicContact CG-CG2 3.97Å; P53-V56 PolarHBondContact O-N 3.06Å; P53-V56 VanDerWaalsContact O-N 3.13Å; P53-K57 WeakPolarHBondContact O-CB 3.36Å; P53-K57 PolarHBondContact O-N 2.97Å
54	D	95.8	Very high	95.9	Very high	138 Å²	138	60.5 Å²	60.5	74%	0.738	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.6	-174	-66.3	-32.1	0	0	0	113.7	V56	D54-V56 PolarHBondContact O-N 3Å
55	S	93.9	Very high	95.9	Very high	63 Å²	63	61.1 Å²	61.1	44%	0.441	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-28.3	177.7	56.5	0	0	0	0	114	P53 R59	P53-S55 PolarHBondContact O-N 3.49Å; P53-S55 VanDerWaalsContact O-N 3.09Å; S55-R59 PolarHBondContact O-NH2 2.98Å
56	V	96.6	Very high	96	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.9	-6.9	-175.4	-57.7	0	0	0	0	113.5	V40 P53 D54 G58 R59 F60	V40-V56 HydrophobicContact CG1-CG2 4.38Å; V40-V56 VanDerWaalsContact O-CG2 3.29Å; V40-V56 WeakPolarHBondContact O-CG2 3.36Å; P53-V56 HydrophobicContact CG-CG2 3.97Å; P53-V56 PolarHBondContact O-N 3.06Å; P53-V56 VanDerWaalsContact O-N 3.13Å; D54-V56 PolarHBondContact O-N 3Å; V56-G58 PolarHBondContact O-N 3.41Å; V56-R59 WeakPolarHBondContact O-CB 3.49Å; V56-R59 PolarHBondContact O-N 3.34Å; V56-F60 HydrophobicContact CB-CB 4.21Å; V56-F60 HydrophobicContact CB-CD2 3.6Å; V56-F60 HydrophobicContact CB-CE2 3.98Å; V56-F60 HydrophobicContact CB-CG 3.87Å; V56-F60 HydrophobicContact CG1-CD2 3.66Å; V56-F60 HydrophobicContact CG1-CE2 3.53Å; V56-F60 HydrophobicContact CG1-CG 4.36Å; V56-F60 HydrophobicContact CG1-CZ 4.13Å; V56-F60 HydrophobicContact CG2-CB 4.5Å; V56-F60 HydrophobicContact CG2-CD2 4.19Å; V56-F60 PolarHBondContact O-N 3.05Å
57	K	95.6	Very high	96.4	Very high	134 Å²	134	63.4 Å²	63.4	58%	0.583	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	133	179.8	-166.3	173.1	-174.5	177.2	0	111.1	P53 R59	P53-K57 WeakPolarHBondContact O-CB 3.36Å; P53-K57 PolarHBondContact O-N 2.97Å; K57-R59 PolarHBondContact O-N 2.93Å
58	G	96.3	Very high	96.6	Very high	82 Å²	82	68.3 Å²	68.3	85%	0.845	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	-7.1	-177.1	0	0	0	0	0	115.1	V56	V56-G58 PolarHBondContact O-N 3.41Å
59	R	97.7	Very high	96.7	Very high	34 Å²	34	65.9 Å²	65.9	13%	0.128	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-38.8	176.3	-62.9	-167.5	-56.2	115.6	0.9	112.3	S55 V56 K57 S76 S77 D82	S55-R59 PolarHBondContact O-NH2 2.98Å; V56-R59 WeakPolarHBondContact O-CB 3.49Å; V56-R59 PolarHBondContact O-N 3.34Å; K57-R59 PolarHBondContact O-N 2.93Å; R59-S76 WeakPolarHBondContact CB-O 3.49Å; R59-S76 WeakPolarHBondContact O-CB 3.05Å; R59-S76 PolarHBondContact O-N 2.79Å; R59-S77 PolarHBondContact NH1-O 3.24Å; R59-D82 IonicContact CZ-OD1 3.86Å; R59-D82 IonicContact CZ-OD2 3.46Å; R59-D82 IonicContact NH1-OD1 3.79Å; R59-D82 IonicContact NH1-OD2 2.69Å; R59-D82 PolarHBondContact NH1-OD2 2.97Å; R59-D82 IonicContact NH2-OD1 2.97Å; R59-D82 PolarHBondContact NH2-OD1 2.99Å; R59-D82 IonicContact NH2-OD2 3.33Å; R59-D82 PolarHBondContact NH2-OD2 2.9Å
60	F	98	Very high	96.8	Very high	4 Å²	4	60.2 Å²	60.2	2%	0.018	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	146.1	-176.4	-64.1	4.9	0	0	0	110.9	V40 Y52 V56 L73 Q74 M75 L78 D82	V40-F60 HydrophobicContact CG1-CD2 3.67Å; V40-F60 HydrophobicContact CG1-CE2 4.06Å; Y52-F60 VanDerWaalsContact CE1-O 3.29Å; Y52-F60 WeakPolarHBondContact CE1-O 3.29Å; V56-F60 HydrophobicContact CB-CB 4.21Å; V56-F60 HydrophobicContact CB-CD2 3.6Å; V56-F60 HydrophobicContact CB-CE2 3.98Å; V56-F60 HydrophobicContact CB-CG 3.87Å; V56-F60 HydrophobicContact CG1-CD2 3.66Å; V56-F60 HydrophobicContact CG1-CE2 3.53Å; V56-F60 HydrophobicContact CG1-CG 4.36Å; V56-F60 HydrophobicContact CG1-CZ 4.13Å; V56-F60 HydrophobicContact CG2-CB 4.5Å; V56-F60 HydrophobicContact CG2-CD2 4.19Å; V56-F60 PolarHBondContact O-N 3.05Å; F60-L73 HydrophobicContact CB-CD1 4.23Å; F60-L73 HydrophobicContact CD2-CD2 4.26Å; F60-Q74 CarbonylContact C-O 3.48Å; F60-Q74 VanDerWaalsContact CA-O 3.24Å; F60-Q74 WeakPolarHBondContact CA-O 3.44Å; F60-M75 HydrophobicContact CD1-CB 3.8Å; F60-M75 HydrophobicContact CD1-CG 4.08Å; F60-M75 HydrophobicContact CD2-CE 4.15Å; F60-M75 HydrophobicContact CD2-CG 4.15Å; F60-M75 HydrophobicContact CE1-CB 3.74Å; F60-M75 HydrophobicContact CE1-CE 4.07Å; F60-M75 HydrophobicContact CE1-CG 4.13Å; F60-M75 HydrophobicContact CE2-CE 3.33Å; F60-M75 HydrophobicContact CE2-CG 4.2Å; F60-M75 HydrophobicContact CG-CB 4.35Å; F60-M75 HydrophobicContact CG-CG 4.13Å; F60-M75 HydrophobicContact CZ-CB 4.21Å; F60-M75 HydrophobicContact CZ-CE 3.3Å; F60-M75 HydrophobicContact CZ-CG 4.2Å; F60-L78 HydrophobicContact CE1-CD2 4.07Å; F60-L78 HydrophobicContact CZ-CD2 4.09Å; F60-D82 HydrophobicContact CZ-CB 4.22Å
61	T	98.3	Very high	96.8	Very high	77 Å²	77	57.5 Å²	57.5	47%	0.472	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	116.3	178.9	-54.3	0	0	0	0	109.7	Y52 Q74	Y52-T61 WeakPolarHBondContact OH-CA 3.38Å; T61-Q74 PolarHBondContact N-O 3.35Å; T61-Q74 PolarHBondContact O-N 3.3Å
62	I	98.5	Very high	96.9	Very high	6 Å²	6	54.1 Å²	54.1	3%	0.031	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	139.4	171.9	-165.9	170.6	0	0	0	109.5	A41 I43 T50 Y52 L71 Y72 L73	A41-I62 HydrophobicContact CB-CB 3.82Å; A41-I62 HydrophobicContact CB-CD1 3.96Å; A41-I62 HydrophobicContact CB-CG1 4.43Å; A41-I62 HydrophobicContact CB-CG2 4.03Å; I43-I62 HydrophobicContact CB-CD1 4Å; I43-I62 HydrophobicContact CB-CG1 4.22Å; I43-I62 HydrophobicContact CB-CG2 3.97Å; I43-I62 HydrophobicContact CG2-CD1 3.72Å; I43-I62 HydrophobicContact CG2-CG1 4.03Å; T50-I62 HydrophobicContact CG2-CG2 3.72Å; Y52-I62 HydrophobicContact CE1-CB 4.27Å; Y52-I62 HydrophobicContact CE1-CG2 3.95Å; Y52-I62 WeakPolarHBondContact OH-CG2 3.49Å; Y52-I62 PolarHBondContact OH-N 3.33Å; I62-L71 HydrophobicContact CD1-CD1 3.95Å; I62-L71 HydrophobicContact CD1-CD2 4.38Å; I62-L71 HydrophobicContact CD1-CG 4.44Å; I62-L71 HydrophobicContact CG1-CD1 3.95Å; I62-L71 HydrophobicContact CG1-CG 4.44Å; I62-Y72 WeakPolarHBondContact CA-O 3.46Å; I62-L73 HydrophobicContact CB-CD1 4.3Å
63	S	98.1	Very high	96.9	Very high	45 Å²	45	52.2 Å²	52.2	32%	0.315	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	162	172.7	52.6	0	0	0	0	110.3	Y72	S63-Y72 PolarHBondContact N-O 2.92Å; S63-Y72 PolarHBondContact O-N 2.61Å
64	R	97.8	Very high	97	Very high	36 Å²	36	54.1 Å²	54.1	14%	0.136	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	148.1	-177.8	66.2	-176.8	-67.9	151.2	5	111	F21 Y24 I43 S44 S45 N66 T70 L71	F21-R64 VanDerWaalsContact CD1-NH2 3.27Å; F21-R64 HydrophobicContact CE1-CB 4.12Å; F21-R64 VanDerWaalsContact CE1-NH2 3.28Å; F21-R64 HydrophobicContact CZ-CB 4.16Å; F21-R64 PolarHBondContact O-NH2 2.77Å; Y24-R64 PolarHBondContact O-NH1 2.8Å; I43-R64 HydrophobicContact CD1-CB 4.26Å; I43-R64 HydrophobicContact CD1-CG 3.76Å; I43-R64 HydrophobicContact CG1-CG 4.41Å; S44-R64 PolarHBondContact O-NH1 2.83Å; S45-R64 PolarHBondContact O-NE 3.17Å; S45-R64 PolarHBondContact O-NH1 2.91Å; S45-R64 VanDerWaalsContact O-NH1 3.11Å; S45-R64 PolarHBondContact O-NH2 3.14Å; R64-N66 PolarHBondContact NE-OD1 2.85Å; R64-N66 PolarHBondContact NH2-OD1 3.02Å; R64-T70 WeakPolarHBondContact CA-O 3.43Å; R64-L71 HydrophobicContact CB-CD1 4.22Å
65	D	96.7	Very high	97	Very high	41 Å²	41	47.6 Å²	47.6	22%	0.219	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	107.5	170.3	-175.9	-25.7	0	0	0	108.3	A67 K68 N69 T70 Y72	D65-A67 VanDerWaalsContact C-N 3.35Å; D65-A67 WeakPolarHBondContact OD1-CB 3.42Å; D65-A67 PolarHBondContact OD1-N 2.91Å; D65-K68 HydrophobicContact CB-CB 4.19Å; D65-K68 PolarHBondContact O-N 2.81Å; D65-K68 PolarHBondContact OD1-N 2.86Å; D65-K68 WeakPolarHBondContact OD2-CD 3.25Å; D65-K68 WeakPolarHBondContact OD2-CE 3.19Å; D65-K68 WeakPolarHBondContact OD2-CG 2.89Å; D65-K68 IonicContact OD2-NZ 3.46Å; D65-K68 PolarHBondContact OD2-NZ 2.76Å; D65-N69 PolarHBondContact O-N 2.81Å; D65-T70 PolarHBondContact N-O 2.93Å; D65-T70 PolarHBondContact O-N 3.39Å; D65-Y72 HydrophobicContact CB-CE2 3.92Å
66	N	95.3	Very high	97.2	Very high	63 Å²	63	46.4 Å²	46.4	34%	0.337	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-26.3	-178.1	-75.4	-15.7	0	0	0	113	F21 R64 K68 N69	F21-N66 WeakPolarHBondContact CD1-OD1 3.47Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.18Å; R64-N66 PolarHBondContact NE-OD1 2.85Å; R64-N66 PolarHBondContact NH2-OD1 3.02Å; N66-K68 VanDerWaalsContact C-N 3.32Å; N66-N69 PolarHBondContact O-OD1 3.32Å
67	A	94.6	Very high	97.1	Very high	96 Å²	96	49.7 Å²	49.7	79%	0.793	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-32.1	176.5	0	0	0	0	0	110.9	D65	D65-A67 VanDerWaalsContact C-N 3.35Å; D65-A67 WeakPolarHBondContact OD1-CB 3.42Å; D65-A67 PolarHBondContact OD1-N 2.91Å
68	K	96.3	Very high	97.2	Very high	132 Å²	132	43.4 Å²	43.4	57%	0.574	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	0.6	177.8	-60.7	-178.4	-167.1	160.5	0	114.1	D65 N66 T70	D65-K68 HydrophobicContact CB-CB 4.19Å; D65-K68 PolarHBondContact O-N 2.81Å; D65-K68 PolarHBondContact OD1-N 2.86Å; D65-K68 WeakPolarHBondContact OD2-CD 3.25Å; D65-K68 WeakPolarHBondContact OD2-CE 3.19Å; D65-K68 WeakPolarHBondContact OD2-CG 2.89Å; D65-K68 IonicContact OD2-NZ 3.46Å; D65-K68 PolarHBondContact OD2-NZ 2.76Å; N66-K68 VanDerWaalsContact C-N 3.32Å; K68-T70 PolarHBondContact O-N 2.67Å; K68-T70 VanDerWaalsContact O-N 3.13Å; K68-T70 PolarHBondContact O-OG1 2.86Å
69	N	96.3	Very high	97.1	Very high	65 Å²	65	44.3 Å²	44.3	35%	0.348	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.6	39.4	-171.9	-60	-41.6	0	0	0	112.8	A16 F21 D65 N66	A16-N69 PolarHBondContact N-O 2.67Å; F21-N69 HydrophobicContact CB-CB 3.91Å; F21-N69 WeakPolarHBondContact CB-OD1 3.45Å; F21-N69 HydrophobicContact CD1-CB 4.43Å; F21-N69 HydrophobicContact CG-CB 4.17Å; D65-N69 PolarHBondContact O-N 2.81Å; N66-N69 PolarHBondContact O-OD1 3.32Å
70	T	97.6	Very high	96.9	Very high	15 Å²	15	45.9 Å²	45.9	9%	0.092	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	131	-170.5	-57.2	0	0	0	0	111.5	C14 R64 D65 K68 Y72	C14-T70 CarbonylContact O-C 3.35Å; C14-T70 WeakPolarHBondContact O-CA 3.45Å; R64-T70 WeakPolarHBondContact CA-O 3.43Å; D65-T70 PolarHBondContact N-O 2.93Å; D65-T70 PolarHBondContact O-N 3.39Å; K68-T70 PolarHBondContact O-N 2.67Å; K68-T70 VanDerWaalsContact O-N 3.13Å; K68-T70 PolarHBondContact O-OG1 2.86Å; T70-Y72 HydrophobicContact CG2-CD1 4.11Å; T70-Y72 HydrophobicContact CG2-CD2 4.46Å; T70-Y72 HydrophobicContact CG2-CE1 3.47Å; T70-Y72 VanDerWaalsContact CG2-CE1 3.47Å; T70-Y72 HydrophobicContact CG2-CE2 3.87Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.03Å
71	L	98.2	Very high	96.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	141.6	170.8	-170.1	70.4	0	0	0	110	S13 C14 F21 M26 W28 I43 I62 R64 C88	S13-L71 CarbonylContact C-O 3.44Å; S13-L71 VanDerWaalsContact CA-O 3.31Å; S13-L71 WeakPolarHBondContact CA-O 3.32Å; C14-L71 HydrophobicContact CB-CB 4.37Å; C14-L71 PolarHBondContact N-O 2.97Å; C14-L71 PolarHBondContact O-N 2.82Å; F21-L71 HydrophobicContact CE2-CB 4.32Å; F21-L71 HydrophobicContact CZ-CB 4.17Å; M26-L71 HydrophobicContact CB-CD1 3.78Å; M26-L71 HydrophobicContact CB-CD2 3.86Å; M26-L71 HydrophobicContact CB-CG 4.37Å; W28-L71 HydrophobicContact CD2-CD2 4.46Å; W28-L71 HydrophobicContact CG-CD2 4.34Å; W28-L71 HydrophobicContact CZ2-CD2 4.48Å; W28-L71 VanDerWaalsContact NE1-CD2 3.29Å; I43-L71 HydrophobicContact CG2-CD1 3.54Å; I62-L71 HydrophobicContact CD1-CD1 3.95Å; I62-L71 HydrophobicContact CD1-CD2 4.38Å; I62-L71 HydrophobicContact CD1-CG 4.44Å; I62-L71 HydrophobicContact CG1-CD1 3.95Å; I62-L71 HydrophobicContact CG1-CG 4.44Å; R64-L71 HydrophobicContact CB-CD1 4.22Å; L71-C88 HydrophobicContact CD2-CB 4.02Å
72	Y	98.2	Very high	96.6	Very high	42 Å²	42	47.8 Å²	47.8	17%	0.165	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	146.8	178.2	-57.4	-75.9	0	0	0	111.5	K11 L12 I62 S63 D65 T70	K11-Y72 VanDerWaalsContact CE-CD1 3.44Å; L12-Y72 VanDerWaalsContact O-CA 3.25Å; L12-Y72 WeakPolarHBondContact O-CA 3.38Å; I62-Y72 WeakPolarHBondContact CA-O 3.46Å; S63-Y72 PolarHBondContact N-O 2.92Å; S63-Y72 PolarHBondContact O-N 2.61Å; D65-Y72 HydrophobicContact CB-CE2 3.92Å; T70-Y72 HydrophobicContact CG2-CD1 4.11Å; T70-Y72 HydrophobicContact CG2-CD2 4.46Å; T70-Y72 HydrophobicContact CG2-CE1 3.47Å; T70-Y72 VanDerWaalsContact CG2-CE1 3.47Å; T70-Y72 HydrophobicContact CG2-CE2 3.87Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.03Å
73	L	98.4	Very high	96.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	106.2	168.4	-171.1	67.6	0	0	0	108.7	K11 L12 W28 V40 A41 F60 I62 M75 Y86	K11-L73 WeakPolarHBondContact CA-O 3.27Å; L12-L73 HydrophobicContact CB-CB 4.28Å; L12-L73 HydrophobicContact CD1-CD2 4.48Å; L12-L73 PolarHBondContact N-O 2.81Å; L12-L73 PolarHBondContact O-N 2.99Å; W28-L73 HydrophobicContact CB-CD2 4.21Å; W28-L73 HydrophobicContact CD2-CB 4.16Å; W28-L73 HydrophobicContact CD2-CD2 4.3Å; W28-L73 HydrophobicContact CG-CB 4.14Å; W28-L73 HydrophobicContact CG-CD1 4.43Å; W28-L73 HydrophobicContact CG-CD2 4.02Å; W28-L73 HydrophobicContact CG-CG 4.44Å; W28-L73 HydrophobicContact CZ2-CB 4.38Å; V40-L73 HydrophobicContact CG1-CD1 4.49Å; V40-L73 HydrophobicContact CG1-CD2 3.86Å; A41-L73 HydrophobicContact CB-CD1 4.17Å; F60-L73 HydrophobicContact CB-CD1 4.23Å; F60-L73 HydrophobicContact CD2-CD2 4.26Å; I62-L73 HydrophobicContact CB-CD1 4.3Å; L73-M75 HydrophobicContact CD2-CE 4.42Å; L73-M75 HydrophobicContact CD2-CG 3.87Å; L73-M75 HydrophobicContact CD2-SD 3.98Å; L73-M75 HydrophobicContact CG-CG 3.81Å; L73-M75 HydrophobicContact CG-SD 4.47Å; L73-Y86 HydrophobicContact CD2-CD1 4.28Å; L73-Y86 HydrophobicContact CD2-CE1 4.42Å
74	Q	98.1	Very high	96.4	Very high	64 Å²	64	47.2 Å²	47.2	30%	0.299	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	123.2	168.1	-176.5	64.1	46.4	0	0	108	L10 F60 T61	L10-Q74 PolarHBondContact O-NE2 2.47Å; F60-Q74 CarbonylContact C-O 3.48Å; F60-Q74 VanDerWaalsContact CA-O 3.24Å; F60-Q74 WeakPolarHBondContact CA-O 3.44Å; T61-Q74 PolarHBondContact N-O 3.35Å; T61-Q74 PolarHBondContact O-N 3.3Å
75	M	97.6	Very high	96.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	118.6	-178.9	-56.3	169.6	81.8	0	0	107.9	S9 L10 L12 F60 L73 L78 Y86 L105	S9-M75 CarbonylContact C-O 3.58Å; S9-M75 WeakPolarHBondContact CA-O 3.29Å; S9-M75 WeakPolarHBondContact CB-O 3.46Å; L10-M75 PolarHBondContact N-O 2.84Å; L10-M75 PolarHBondContact O-N 3.18Å; L12-M75 HydrophobicContact CD1-SD 3.78Å; L12-M75 HydrophobicContact CG-SD 3.92Å; F60-M75 HydrophobicContact CD1-CB 3.8Å; F60-M75 HydrophobicContact CD1-CG 4.08Å; F60-M75 HydrophobicContact CD2-CE 4.15Å; F60-M75 HydrophobicContact CD2-CG 4.15Å; F60-M75 HydrophobicContact CE1-CB 3.74Å; F60-M75 HydrophobicContact CE1-CE 4.07Å; F60-M75 HydrophobicContact CE1-CG 4.13Å; F60-M75 HydrophobicContact CE2-CE 3.33Å; F60-M75 HydrophobicContact CE2-CG 4.2Å; F60-M75 HydrophobicContact CG-CB 4.35Å; F60-M75 HydrophobicContact CG-CG 4.13Å; F60-M75 HydrophobicContact CZ-CB 4.21Å; F60-M75 HydrophobicContact CZ-CE 3.3Å; F60-M75 HydrophobicContact CZ-CG 4.2Å; L73-M75 HydrophobicContact CD2-CE 4.42Å; L73-M75 HydrophobicContact CD2-CG 3.87Å; L73-M75 HydrophobicContact CD2-SD 3.98Å; L73-M75 HydrophobicContact CG-CG 3.81Å; L73-M75 HydrophobicContact CG-SD 4.47Å; M75-L78 HydrophobicContact CB-CD2 3.89Å; M75-L78 HydrophobicContact CB-CG 4.34Å; M75-L78 HydrophobicContact CE-CD2 3.78Å; M75-L78 HydrophobicContact SD-CD2 4.5Å; M75-Y86 HydrophobicContact CE-CD1 4.36Å; M75-Y86 HydrophobicContact CE-CE1 3.55Å; M75-Y86 HydrophobicContact CE-CE2 4.1Å; M75-Y86 VanDerWaalsContact CE-CZ 3.41Å; M75-Y86 WeakPolarHBondContact CE-OH 3.12Å; M75-L105 HydrophobicContact CE-CD2 3.44Å; M75-L105 VanDerWaalsContact CE-CD2 3.44Å; M75-L105 HydrophobicContact SD-CD2 3.84Å
76	S	96.8	Very high	96.5	Very high	39 Å²	39	46.2 Å²	46.2	27%	0.273	26%	0.256	S	S	.	.			trans	-119.5	156.4	179.9	-56.1	0	0	0	0	110.3	R59 L78	R59-S76 WeakPolarHBondContact CB-O 3.49Å; R59-S76 WeakPolarHBondContact O-CB 3.05Å; R59-S76 PolarHBondContact O-N 2.79Å; S76-L78 VanDerWaalsContact C-N 3.29Å; S76-L78 PolarHBondContact O-N 2.81Å
77	S	95.8	Very high	96.6	Very high	68 Å²	68	45.2 Å²	45.2	48%	0.476	25%	0.248	S	C	.	.	S	Bend	trans	50.8	51	-178.9	-56.9	0	0	0	0	111.8	G8 R59	G8-S77 PolarHBondContact O-N 2.96Å; R59-S77 PolarHBondContact NH1-O 3.24Å
78	L	96.3	Very high	96.7	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.01	21%	0.213	C	C	.	.			trans	-60.5	139.8	-179.2	-78.7	168.7	0	0	0	111.1	V4 P6 G7 G8 L10 F60 M75 S76 D82 L105 V107	V4-L78 HydrophobicContact CB-CD1 4Å; V4-L78 HydrophobicContact CG1-CD1 3.78Å; V4-L78 HydrophobicContact CG2-CD1 4.23Å; P6-L78 WeakPolarHBondContact CA-O 3.4Å; G7-L78 PolarHBondContact N-O 2.88Å; G8-L78 PolarHBondContact O-N 2.02Å; L10-L78 HydrophobicContact CB-CD1 4.15Å; F60-L78 HydrophobicContact CE1-CD2 4.07Å; F60-L78 HydrophobicContact CZ-CD2 4.09Å; M75-L78 HydrophobicContact CB-CD2 3.89Å; M75-L78 HydrophobicContact CB-CG 4.34Å; M75-L78 HydrophobicContact CE-CD2 3.78Å; M75-L78 HydrophobicContact SD-CD2 4.5Å; S76-L78 VanDerWaalsContact C-N 3.29Å; S76-L78 PolarHBondContact O-N 2.81Å; L78-D82 HydrophobicContact CD2-CB 3.92Å; L78-L105 HydrophobicContact CD1-CD2 4.47Å; L78-L105 HydrophobicContact CD2-CD2 3.91Å; L78-V107 HydrophobicContact CB-CG1 4.29Å; L78-V107 HydrophobicContact CB-CG2 4.12Å; L78-V107 HydrophobicContact CD1-CG2 4.42Å; L78-V107 HydrophobicContact CD2-CG2 4.35Å
79	K	95.1	Very high	96.7	Very high	101 Å²	101	34.9 Å²	34.9	44%	0.439	19%	0.186	S	C	.	.			trans	-117.7	163	176.8	-52.1	177.4	178.9	179.7	0	110.3	E81 D82 V107	K79-E81 WeakPolarHBondContact CB-OE2 3.17Å; K79-E81 PolarHBondContact O-N 2.85Å; K79-D82 PolarHBondContact N-OD2 2.79Å; K79-D82 WeakPolarHBondContact O-CB 3.41Å; K79-D82 PolarHBondContact O-N 3.11Å; K79-V107 WeakPolarHBondContact O-CB 3.41Å; K79-V107 WeakPolarHBondContact O-CG1 3.16Å
80	S	93.4	Very high	96.6	Very high	68 Å²	68	32.5 Å²	32.5	48%	0.476	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-52.8	-36.6	174.8	29	0	0	0	0	112.5	D82 T83	S80-D82 PolarHBondContact O-N 3.27Å; S80-T83 VanDerWaalsContact O-CB 3.27Å; S80-T83 WeakPolarHBondContact O-CB 3.41Å; S80-T83 PolarHBondContact O-N 3.33Å; S80-T83 VanDerWaalsContact O-N 3.12Å; S80-T83 PolarHBondContact O-OG1 2.89Å
81	E	93.4	Very high	96.2	Very high	119 Å²	119	33.5 Å²	33.5	56%	0.556	18%	0.177	S	C	*	.	G	3₁₀ helix	trans	-70.1	-11.9	179.7	-50.8	74.2	-128.4	0	0	113.3	K79 T83	K79-E81 WeakPolarHBondContact CB-OE2 3.17Å; K79-E81 PolarHBondContact O-N 2.85Å; E81-T83 VanDerWaalsContact C-N 3.25Å
82	D	95.8	Very high	95.4	Very high	2 Å²	2	38 Å²	38	1%	0.011	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-83.4	-2.6	174	-59.3	-47.1	0	0	0	112.6	R30 R59 F60 L78 K79 S80 A84 Y86	R30-D82 IonicContact NH1-OD1 3.14Å; R30-D82 PolarHBondContact NH1-OD1 2.92Å; R59-D82 IonicContact CZ-OD1 3.86Å; R59-D82 IonicContact CZ-OD2 3.46Å; R59-D82 IonicContact NH1-OD1 3.79Å; R59-D82 IonicContact NH1-OD2 2.69Å; R59-D82 PolarHBondContact NH1-OD2 2.97Å; R59-D82 IonicContact NH2-OD1 2.97Å; R59-D82 PolarHBondContact NH2-OD1 2.99Å; R59-D82 IonicContact NH2-OD2 3.33Å; R59-D82 PolarHBondContact NH2-OD2 2.9Å; F60-D82 HydrophobicContact CZ-CB 4.22Å; L78-D82 HydrophobicContact CD2-CB 3.92Å; K79-D82 PolarHBondContact N-OD2 2.79Å; K79-D82 WeakPolarHBondContact O-CB 3.41Å; K79-D82 PolarHBondContact O-N 3.11Å; S80-D82 PolarHBondContact O-N 3.27Å; D82-A84 PolarHBondContact O-N 3.18Å; D82-Y86 VanDerWaalsContact O-CE2 3.28Å; D82-Y86 WeakPolarHBondContact O-CE2 3.38Å; D82-Y86 PolarHBondContact O-OH 2.78Å
83	T	96.3	Very high	94.4	Very high	33 Å²	33	41.4 Å²	41.4	20%	0.202	22%	0.224	C	C	.	.			trans	-63.5	114.2	172.4	-63.3	0	0	0	0	110.3	P33 S80 E81 L105 T106 V107	P33-T83 WeakPolarHBondContact CD-O 3.5Å; S80-T83 VanDerWaalsContact O-CB 3.27Å; S80-T83 WeakPolarHBondContact O-CB 3.41Å; S80-T83 PolarHBondContact O-N 3.33Å; S80-T83 VanDerWaalsContact O-N 3.12Å; S80-T83 PolarHBondContact O-OG1 2.89Å; E81-T83 VanDerWaalsContact C-N 3.25Å; T83-L105 WeakPolarHBondContact CA-O 3.36Å; T83-T106 HydrophobicContact CG2-CG2 4.44Å; T83-V107 PolarHBondContact OG1-N 3.26Å; T83-V107 PolarHBondContact OG1-O 3.41Å
84	A	97.1	Very high	93.2	Very high	5 Å²	5	47.7 Å²	47.7	4%	0.041	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.5	169.5	-176.9	0	0	0	0	0	111	R30 Q31 D82 Y86 L105	R30-A84 HydrophobicContact CB-CB 3.83Å; R30-A84 HydrophobicContact CG-CB 4.15Å; Q31-A84 WeakPolarHBondContact O-CA 3.36Å; Q31-A84 VanDerWaalsContact O-CB 3.28Å; Q31-A84 WeakPolarHBondContact O-CB 3.07Å; D82-A84 PolarHBondContact O-N 3.18Å; A84-Y86 HydrophobicContact CB-CD2 4.26Å; A84-Y86 HydrophobicContact CB-CE2 3.73Å; A84-Y86 WeakPolarHBondContact O-CD2 3.45Å; A84-L105 PolarHBondContact N-O 3.31Å; A84-L105 VanDerWaalsContact N-O 3.09Å; A84-L105 PolarHBondContact O-N 3.43Å
85	M	97.8	Very high	92.1	Very high	55 Å²	55	50.8 Å²	50.8	27%	0.271	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	123.3	162.6	-174.2	70.8	74.1	0	0	109	R30 Q31 Y87 T103 T104	R30-M85 CarbonylContact C-O 3.57Å; R30-M85 WeakPolarHBondContact CA-O 3.29Å; Q31-M85 HydrophobicContact CB-CB 4.42Å; Q31-M85 PolarHBondContact N-O 3.22Å; Q31-M85 PolarHBondContact O-N 2.79Å; M85-Y87 HydrophobicContact CB-CE2 3.92Å; M85-Y87 HydrophobicContact CG-CD2 4.36Å; M85-Y87 HydrophobicContact CG-CE1 3.83Å; M85-Y87 HydrophobicContact CG-CE2 3.56Å; M85-Y87 VanDerWaalsContact CG-OH 3.29Å; M85-Y87 WeakPolarHBondContact CG-OH 3.02Å; M85-T103 PolarHBondContact SD-N 2.93Å; M85-T103 VanDerWaalsContact SD-N 3.41Å; M85-T104 WeakPolarHBondContact CE-OG1 3.24Å; M85-T104 PolarHBondContact SD-N 2.84Å; M85-T104 PolarHBondContact SD-OG1 3.02Å
86	Y	97.9	Very high	91.3	Very high	1 Å²	1	52.9 Å²	52.9	0%	0.004	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	128.8	-177.9	-73.9	-100.6	0	0	0	111.1	L12 R30 V40 L73 M75 D82 A84 G102 T103 L105	L12-Y86 HydrophobicContact CD1-CD1 4.06Å; L12-Y86 HydrophobicContact CD1-CD2 4.31Å; L12-Y86 HydrophobicContact CD1-CG 3.75Å; R30-Y86 HydrophobicContact CB-CD1 3.82Å; R30-Y86 HydrophobicContact CB-CD2 4.45Å; R30-Y86 HydrophobicContact CB-CE1 3.75Å; R30-Y86 HydrophobicContact CB-CE2 4.37Å; R30-Y86 HydrophobicContact CB-CG 4.17Å; R30-Y86 WeakPolarHBondContact CD-OH 3.27Å; R30-Y86 HydrophobicContact CG-CE1 4.39Å; R30-Y86 PolarHBondContact NH1-OH 3.12Å; V40-Y86 HydrophobicContact CG1-CE1 4.39Å; V40-Y86 HydrophobicContact CG2-CD1 4.38Å; V40-Y86 HydrophobicContact CG2-CE1 4.05Å; L73-Y86 HydrophobicContact CD2-CD1 4.28Å; L73-Y86 HydrophobicContact CD2-CE1 4.42Å; M75-Y86 HydrophobicContact CE-CD1 4.36Å; M75-Y86 HydrophobicContact CE-CE1 3.55Å; M75-Y86 HydrophobicContact CE-CE2 4.1Å; M75-Y86 VanDerWaalsContact CE-CZ 3.41Å; M75-Y86 WeakPolarHBondContact CE-OH 3.12Å; D82-Y86 VanDerWaalsContact O-CE2 3.28Å; D82-Y86 WeakPolarHBondContact O-CE2 3.38Å; D82-Y86 PolarHBondContact O-OH 2.78Å; A84-Y86 HydrophobicContact CB-CD2 4.26Å; A84-Y86 HydrophobicContact CB-CE2 3.73Å; A84-Y86 WeakPolarHBondContact O-CD2 3.45Å; Y86-G102 CarbonylContact O-C 3.58Å; Y86-G102 WeakPolarHBondContact O-CA 3.46Å; Y86-T103 PolarHBondContact N-O 3.46Å; Y86-T103 PolarHBondContact O-N 3Å; Y86-L105 HydrophobicContact CD2-CB 3.89Å; Y86-L105 HydrophobicContact CD2-CD2 4.5Å; Y86-L105 HydrophobicContact CE2-CB 3.8Å; Y86-L105 HydrophobicContact CE2-CD2 3.86Å; Y86-L105 HydrophobicContact CE2-CG 4.4Å
87	Y	97.6	Very high	90.7	Very high	43 Å²	43	53.6 Å²	53.6	17%	0.169	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	137.8	179.6	-52.5	-89.7	0	0	0	109.7	W28 V29 Q31 M85 W99 G100	W28-Y87 WeakPolarHBondContact CA-O 3.37Å; W28-Y87 VanDerWaalsContact CE3-C 3.48Å; V29-Y87 PolarHBondContact N-O 3.46Å; V29-Y87 PolarHBondContact O-N 3.49Å; V29-Y87 VanDerWaalsContact O-O 3.13Å; Q31-Y87 HydrophobicContact CB-CE2 3.74Å; Q31-Y87 PolarHBondContact OE1-OH 2.88Å; Q31-Y87 VanDerWaalsContact OE1-OH 3.1Å; M85-Y87 HydrophobicContact CB-CE2 3.92Å; M85-Y87 HydrophobicContact CG-CD2 4.36Å; M85-Y87 HydrophobicContact CG-CE1 3.83Å; M85-Y87 HydrophobicContact CG-CE2 3.56Å; M85-Y87 VanDerWaalsContact CG-OH 3.29Å; M85-Y87 WeakPolarHBondContact CG-OH 3.02Å; Y87-W99 HydrophobicContact CG-CE3 4.24Å; Y87-G100 WeakPolarHBondContact CD1-O 3.37Å
88	C	96.6	Very high	90.3	Very high	10 Å²	10	56.2 Å²	56.2	7%	0.068	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	143.2	160.8	53	0	0	0	0	109	C14 S27 W28 L71 W99 G100	C14-C88 HydrophobicContact CB-CB 3.46Å; C14-C88 VanDerWaalsContact CB-CB 3.46Å; C14-C88 WeakPolarHBondContact CB-SG 3.43Å; C14-C88 WeakPolarHBondContact SG-CB 3.31Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.82Å; S27-C88 CarbonylContact O-C 3.58Å; S27-C88 VanDerWaalsContact O-CA 3.32Å; S27-C88 WeakPolarHBondContact O-CA 3.26Å; W28-C88 HydrophobicContact CD2-CB 4.47Å; W28-C88 HydrophobicContact CE3-CB 4.36Å; W28-C88 HydrophobicContact CH2-CB 4.29Å; W28-C88 HydrophobicContact CZ2-CB 4.39Å; W28-C88 HydrophobicContact CZ3-CB 4.27Å; L71-C88 HydrophobicContact CD2-CB 4.02Å; C88-W99 CarbonylContact O-C 3.48Å; C88-W99 WeakPolarHBondContact O-CA 3.47Å; C88-G100 PolarHBondContact O-N 3.45Å
89	A	96.1	Very high	90.2	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	147.7	177.4	0	0	0	0	0	111	M26 S27 F96 Y98 W99	M26-A89 WeakPolarHBondContact CA-O 3.28Å; M26-A89 WeakPolarHBondContact CE-O 3.42Å; S27-A89 PolarHBondContact N-O 3.17Å; S27-A89 PolarHBondContact O-N 2.96Å; A89-F96 HydrophobicContact CB-CB 4.28Å; A89-F96 HydrophobicContact CB-CD1 3.66Å; A89-F96 HydrophobicContact CB-CE1 3.85Å; A89-F96 HydrophobicContact CB-CG 4.02Å; A89-F96 HydrophobicContact CB-CZ 4.31Å; A89-Y98 CarbonylContact C-O 3.55Å; A89-Y98 WeakPolarHBondContact CA-O 3.45Å; A89-W99 HydrophobicContact CB-CD2 3.99Å; A89-W99 HydrophobicContact CB-CE3 4.13Å; A89-W99 HydrophobicContact CB-CG 4.45Å; A89-W99 HydrophobicContact CB-CZ2 4.44Å; A89-W99 HydrophobicContact CB-CZ3 4.43Å
90	R	94.9	Very high	90.1	Very high	16 Å²	16	57.6 Å²	57.6	6%	0.06	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	131.4	173.4	-175.4	-177.5	81.5	169.1	10.9	110.3	F19 Y24 M26 F96 D97 Y98	F19-R90 HydrophobicContact CE2-CG 4.13Å; F19-R90 HydrophobicContact CZ-CB 4.3Å; F19-R90 HydrophobicContact CZ-CG 4.32Å; Y24-R90 HydrophobicContact CD1-CG 4.25Å; Y24-R90 HydrophobicContact CG-CG 3.92Å; M26-R90 HydrophobicContact CE-CB 4.48Å; M26-R90 HydrophobicContact SD-CB 4.02Å; M26-R90 HydrophobicContact SD-CG 4.11Å; R90-F96 WeakPolarHBondContact O-CA 3.29Å; R90-F96 WeakPolarHBondContact O-CD1 3.4Å; R90-D97 IonicContact CZ-OD1 3.34Å; R90-D97 IonicContact CZ-OD2 3.56Å; R90-D97 IonicContact NE-OD1 2.83Å; R90-D97 PolarHBondContact NE-OD1 2.8Å; R90-D97 IonicContact NE-OD2 3.78Å; R90-D97 IonicContact NH2-OD1 3.17Å; R90-D97 PolarHBondContact NH2-OD1 3.43Å; R90-D97 IonicContact NH2-OD2 2.61Å; R90-D97 PolarHBondContact NH2-OD2 3.34Å; R90-Y98 PolarHBondContact N-O 2.85Å; R90-Y98 VanDerWaalsContact NH2-CE2 3.3Å
91	D	89.9	Confident	90.1	Very high	36 Å²	36	63.4 Å²	63.4	19%	0.193	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	116.4	173.8	-51.5	-15.1	0	0	0	109.1	G25 M26 S27 T42 F96	G25-D91 PolarHBondContact O-N 2.85Å; M26-D91 PolarHBondContact N-OD2 3.13Å; S27-D91 WeakPolarHBondContact CB-OD1 3.25Å; S27-D91 PolarHBondContact OG-OD1 2.82Å; S27-D91 PolarHBondContact OG-OD2 2.98Å; T42-D91 VanDerWaalsContact CG2-OD2 3.27Å; T42-D91 WeakPolarHBondContact CG2-OD2 3.37Å; D91-F96 WeakPolarHBondContact OD1-CE1 3.43Å
92	Y	80.3	Confident	90.1	Very high	95 Å²	95	59.2 Å²	59.2	37%	0.373	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	103.9	174.6	-167.4	-91.3	0	0	0	110.5	Y24 T94 Y95 D97	Y24-Y92 HydrophobicContact CD1-CD2 4.12Å; Y24-Y92 AromaticContact CE1-CD2 3.52Å; Y24-Y92 HydrophobicContact CE1-CD2 3.52Å; Y24-Y92 AromaticContact CE1-CE2 3.77Å; Y24-Y92 HydrophobicContact CE1-CE2 3.77Å; Y92-T94 PolarHBondContact O-N 2.78Å; Y92-Y95 CarbonylContact C-O 3.46Å; Y92-Y95 HydrophobicContact CD1-CE2 4.04Å; Y92-Y95 AromaticContact CD1-CZ 3.83Å; Y92-Y95 PolarHBondContact N-O 2.79Å; Y92-Y95 PolarHBondContact O-N 3.2Å; Y92-Y95 VanDerWaalsContact O-N 3.12Å; Y92-D97 VanDerWaalsContact CB-OD2 3.25Å; Y92-D97 WeakPolarHBondContact CB-OD2 3.34Å
93	S	77.9	Confident	90.1	Very high	113 Å²	113	61 Å²	61	79%	0.79	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	-106.3	-175.3	-170.9	0	0	0	0	112.1
94	T	73.4	Confident	90.1	Very high	132 Å²	132	62.3 Å²	62.3	81%	0.81	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	2.5	-178.4	55.6	0	0	0	0	114.3	Y92	Y92-T94 PolarHBondContact O-N 2.78Å
95	Y	74.1	Confident	89.9	Confident	128 Å²	128	62.1 Å²	62.1	50%	0.502	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	169.1	-176.8	56.4	-93.1	0	0	0	113.3	Y92 D97	Y92-Y95 CarbonylContact C-O 3.46Å; Y92-Y95 HydrophobicContact CD1-CE2 4.04Å; Y92-Y95 AromaticContact CD1-CZ 3.83Å; Y92-Y95 PolarHBondContact N-O 2.79Å; Y92-Y95 PolarHBondContact O-N 3.2Å; Y92-Y95 VanDerWaalsContact O-N 3.12Å; Y95-D97 HydrophobicContact CD2-CB 4.19Å; Y95-D97 HydrophobicContact CE2-CB 4.04Å
96	F	81.1	Confident	89.8	Confident	45 Å²	45	62.1 Å²	62.1	20%	0.197	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	123	173.8	-61.2	-62.6	0	0	0	110.8	V29 W39 A89 R90 D91 W99	V29-F96 HydrophobicContact CG2-CE2 3.84Å; V29-F96 HydrophobicContact CG2-CZ 3.68Å; W39-F96 HydrophobicContact CD2-CZ 4.07Å; W39-F96 AromaticContact CE3-CE2 3.59Å; W39-F96 HydrophobicContact CE3-CE2 3.59Å; W39-F96 AromaticContact CE3-CZ 3.48Å; W39-F96 HydrophobicContact CE3-CZ 3.48Å; W39-F96 VanDerWaalsContact CE3-CZ 3.48Å; W39-F96 HydrophobicContact CH2-CD1 4.43Å; W39-F96 AromaticContact CH2-CE1 3.35Å; W39-F96 HydrophobicContact CH2-CE1 3.35Å; W39-F96 AromaticContact CH2-CE2 3.52Å; W39-F96 HydrophobicContact CH2-CE2 3.52Å; W39-F96 AromaticContact CH2-CZ 2.85Å; W39-F96 HydrophobicContact CH2-CZ 2.85Å; W39-F96 AromaticContact CZ2-CE1 3.87Å; W39-F96 HydrophobicContact CZ2-CE1 3.87Å; W39-F96 HydrophobicContact CZ2-CE2 4.43Å; W39-F96 AromaticContact CZ2-CZ 3.47Å; W39-F96 HydrophobicContact CZ2-CZ 3.47Å; W39-F96 VanDerWaalsContact CZ2-CZ 3.47Å; W39-F96 HydrophobicContact CZ3-CD2 4.14Å; W39-F96 AromaticContact CZ3-CE1 3.82Å; W39-F96 HydrophobicContact CZ3-CE1 3.82Å; W39-F96 AromaticContact CZ3-CE2 3Å; W39-F96 HydrophobicContact CZ3-CE2 3Å; W39-F96 AromaticContact CZ3-CZ 2.86Å; W39-F96 HydrophobicContact CZ3-CZ 2.86Å; A89-F96 HydrophobicContact CB-CB 4.28Å; A89-F96 HydrophobicContact CB-CD1 3.66Å; A89-F96 HydrophobicContact CB-CE1 3.85Å; A89-F96 HydrophobicContact CB-CG 4.02Å; A89-F96 HydrophobicContact CB-CZ 4.31Å; R90-F96 WeakPolarHBondContact O-CA 3.29Å; R90-F96 WeakPolarHBondContact O-CD1 3.4Å; D91-F96 WeakPolarHBondContact OD1-CE1 3.43Å; F96-W99 HydrophobicContact CB-CZ2 3.73Å; F96-W99 HydrophobicContact CD2-CH2 4.05Å; F96-W99 AromaticContact CD2-CZ2 3.5Å; F96-W99 HydrophobicContact CD2-CZ2 3.5Å; F96-W99 HydrophobicContact CE2-CH2 4.23Å; F96-W99 HydrophobicContact CE2-CZ2 4.14Å; F96-W99 AromaticContact CG-CZ2 3.91Å; F96-W99 HydrophobicContact CG-CZ2 3.91Å
97	D	83.9	Confident	89.5	Confident	54 Å²	54	62.3 Å²	62.3	29%	0.289	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	-21.8	-177.5	55.6	3.1	0	0	0	114.9	R90 Y92 Y95	R90-D97 IonicContact CZ-OD1 3.34Å; R90-D97 IonicContact CZ-OD2 3.56Å; R90-D97 IonicContact NE-OD1 2.83Å; R90-D97 PolarHBondContact NE-OD1 2.8Å; R90-D97 IonicContact NE-OD2 3.78Å; R90-D97 IonicContact NH2-OD1 3.17Å; R90-D97 PolarHBondContact NH2-OD1 3.43Å; R90-D97 IonicContact NH2-OD2 2.61Å; R90-D97 PolarHBondContact NH2-OD2 3.34Å; Y92-D97 VanDerWaalsContact CB-OD2 3.25Å; Y92-D97 WeakPolarHBondContact CB-OD2 3.34Å; Y95-D97 HydrophobicContact CD2-CB 4.19Å; Y95-D97 HydrophobicContact CE2-CB 4.04Å
98	Y	88.3	Confident	88.9	Confident	123 Å²	123	62.9 Å²	62.9	48%	0.482	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129.1	171.6	-70.1	-89.1	0	0	0	111.2	A89 R90	A89-Y98 CarbonylContact C-O 3.55Å; A89-Y98 WeakPolarHBondContact CA-O 3.45Å; R90-Y98 PolarHBondContact N-O 2.85Å; R90-Y98 VanDerWaalsContact NH2-CE2 3.3Å
99	W	93.9	Very high	87.8	Confident	106 Å²	106	69.7 Å²	69.7	40%	0.402	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	138.6	178.8	-67.7	74.3	0	0	0	110.2	V29 Y87 C88 A89 F96	V29-W99 HydrophobicContact CB-CH2 3.98Å; V29-W99 HydrophobicContact CB-CZ3 3.67Å; V29-W99 HydrophobicContact CG1-CH2 3.88Å; V29-W99 HydrophobicContact CG1-CZ3 3.85Å; V29-W99 HydrophobicContact CG2-CH2 3.82Å; V29-W99 HydrophobicContact CG2-CZ3 3.9Å; Y87-W99 HydrophobicContact CG-CE3 4.24Å; C88-W99 CarbonylContact O-C 3.48Å; C88-W99 WeakPolarHBondContact O-CA 3.47Å; A89-W99 HydrophobicContact CB-CD2 3.99Å; A89-W99 HydrophobicContact CB-CE3 4.13Å; A89-W99 HydrophobicContact CB-CG 4.45Å; A89-W99 HydrophobicContact CB-CZ2 4.44Å; A89-W99 HydrophobicContact CB-CZ3 4.43Å; F96-W99 HydrophobicContact CB-CZ2 3.73Å; F96-W99 HydrophobicContact CD2-CH2 4.05Å; F96-W99 AromaticContact CD2-CZ2 3.5Å; F96-W99 HydrophobicContact CD2-CZ2 3.5Å; F96-W99 HydrophobicContact CE2-CH2 4.23Å; F96-W99 HydrophobicContact CE2-CZ2 4.14Å; F96-W99 AromaticContact CG-CZ2 3.91Å; F96-W99 HydrophobicContact CG-CZ2 3.91Å
100	G	93.3	Very high	87.4	Confident	25 Å²	25	73.2 Å²	73.2	26%	0.258	40%	0.4	S	S	.	.			trans	-68.7	165.5	169	0	0	0	0	0	111.8	Y87 C88 G102	Y87-G100 WeakPolarHBondContact CD1-O 3.37Å; C88-G100 PolarHBondContact O-N 3.45Å; G100-G102 PolarHBondContact O-N 3.31Å; G100-G102 VanDerWaalsContact O-N 3.14Å
101	Q	93.1	Very high	87	Confident	190 Å²	190	76.2 Å²	76.2	89%	0.888	42%	0.418	S	S	*	.			trans	-64.7	-16.4	179.1	-65.8	-63.7	-38.6	0	0	113.8
102	G	93.6	Very high	86.8	Confident	31 Å²	31	78.4 Å²	78.4	32%	0.32	43%	0.431	S	S	.	.			trans	88.4	155.9	-177.4	0	0	0	0	0	113	Y86 G100	Y86-G102 CarbonylContact O-C 3.58Å; Y86-G102 WeakPolarHBondContact O-CA 3.46Å; G100-G102 PolarHBondContact O-N 3.31Å; G100-G102 VanDerWaalsContact O-N 3.14Å
103	T	95.5	Very high	87.2	Confident	40 Å²	40	77.4 Å²	77.4	25%	0.245	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	131.9	169.4	-173.3	0	0	0	0	110.7	L12 M85 Y86	L12-T103 HydrophobicContact CD1-CG2 4.13Å; L12-T103 HydrophobicContact CD2-CG2 3.93Å; M85-T103 PolarHBondContact SD-N 2.93Å; M85-T103 VanDerWaalsContact SD-N 3.41Å; Y86-T103 PolarHBondContact N-O 3.46Å; Y86-T103 PolarHBondContact O-N 3Å
104	T	95.5	Very high	87.8	Confident	61 Å²	61	75.2 Å²	75.2	37%	0.374	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	126.3	177.9	-48.1	0	0	0	0	109.7	G1 D2 M85	G1-T104 CarbonylContact C-O 3.53Å; G1-T104 WeakPolarHBondContact CA-O 3.46Å; D2-T104 PolarHBondContact N-O 3.3Å; M85-T104 WeakPolarHBondContact CE-OG1 3.24Å; M85-T104 PolarHBondContact SD-N 2.84Å; M85-T104 PolarHBondContact SD-OG1 3.02Å
105	L	93.7	Very high	88.7	Confident	1 Å²	1	71.4 Å²	71.4	1%	0.005	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	126.8	165.7	174.5	62.1	0	0	0	108.7	D2 V4 L10 M75 L78 T83 A84 Y86 V107	D2-L105 HydrophobicContact CB-CD1 4.42Å; D2-L105 WeakPolarHBondContact O-CD1 3.22Å; V4-L105 HydrophobicContact CG2-CD1 3.89Å; L10-L105 HydrophobicContact CD2-CD1 3.49Å; L10-L105 VanDerWaalsContact CD2-CD1 3.49Å; M75-L105 HydrophobicContact CE-CD2 3.44Å; M75-L105 VanDerWaalsContact CE-CD2 3.44Å; M75-L105 HydrophobicContact SD-CD2 3.84Å; L78-L105 HydrophobicContact CD1-CD2 4.47Å; L78-L105 HydrophobicContact CD2-CD2 3.91Å; T83-L105 WeakPolarHBondContact CA-O 3.36Å; A84-L105 PolarHBondContact N-O 3.31Å; A84-L105 VanDerWaalsContact N-O 3.09Å; A84-L105 PolarHBondContact O-N 3.43Å; Y86-L105 HydrophobicContact CD2-CB 3.89Å; Y86-L105 HydrophobicContact CD2-CD2 4.5Å; Y86-L105 HydrophobicContact CE2-CB 3.8Å; Y86-L105 HydrophobicContact CE2-CD2 3.86Å; Y86-L105 HydrophobicContact CE2-CG 4.4Å; L105-V107 HydrophobicContact CD2-CG2 4.42Å; L105-V107 HydrophobicContact CG-CG2 4.21Å
106	T	94.2	Very high	89.8	Confident	54 Å²	54	67.4 Å²	67.4	33%	0.331	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	125.7	174.1	-56.7	0	0	0	0	109.7	D2 L3 V4 T83	D2-T106 PolarHBondContact O-N 2.96Å; L3-T106 WeakPolarHBondContact CA-O 3.14Å; L3-T106 HydrophobicContact CD1-CG2 3.73Å; V4-T106 PolarHBondContact N-O 3.04Å; T83-T106 HydrophobicContact CG2-CG2 4.44Å
107	V	91.8	Very high	90.4	Very high	6 Å²	6	69.1 Å²	69.1	4%	0.036	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	103.3	175.4	-172.5	0	0	0	0	109.1	V4 P6 L78 K79 T83 L105	V4-V107 VanDerWaalsContact O-CA 3.26Å; V4-V107 WeakPolarHBondContact O-CA 3.47Å; P6-V107 HydrophobicContact CB-CG1 4.48Å; P6-V107 HydrophobicContact CG-CG1 4.14Å; L78-V107 HydrophobicContact CB-CG1 4.29Å; L78-V107 HydrophobicContact CB-CG2 4.12Å; L78-V107 HydrophobicContact CD1-CG2 4.42Å; L78-V107 HydrophobicContact CD2-CG2 4.35Å; K79-V107 WeakPolarHBondContact O-CB 3.41Å; K79-V107 WeakPolarHBondContact O-CG1 3.16Å; T83-V107 PolarHBondContact OG1-N 3.26Å; T83-V107 PolarHBondContact OG1-O 3.41Å; L105-V107 HydrophobicContact CD2-CG2 4.42Å; L105-V107 HydrophobicContact CG-CG2 4.21Å
108	S	86.8	Confident	91	Very high	54 Å²	54	70.3 Å²	70.3	38%	0.378	40%	0.399	S	S	.	.			trans	-141.1	151.9	-179.7	66.7	0	0	0	0	111.6	L3 V4	L3-S108 WeakPolarHBondContact CD1-OG 3.38Å; V4-S108 PolarHBondContact O-N 3.46Å
109	S	72.1	Confident	91.2	Very high	153 Å²	153	65.5 Å²	65.5	100%	1.07	39%	0.392	S	S	*	.			trans	-73.1	0	175.3	56.8	0	0	0	0	112.6

Retrieved 109 of 109 residues in 32.7 ms (Link to these results)

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