X5J4L3_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4L3, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 97 aa.

						>X5J4L3_MOUSE|X5J4L3
ISCKASGYAFSSSWMNWVKQRPGKGLEWIGRIYPGDGDTNYNGKFKGKATLTADKSSSTAYMQLSSLTSEDSAVYFCARGDGFLAYWGQGTLVTVSA
					

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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	I	95.8	Very high	93.8	Very high	58 Å²	58	62.5 Å²	62.5	30%	0.297	41%	0.406	S	S	.	.				0	134	0	-49.2	-174.8	0	0	0	108	W17 Y61 M62 L64 Y75 V93	I1-W17 HydrophobicContact CB-CH2 4.25Å; I1-W17 HydrophobicContact CB-CZ3 4.03Å; I1-W17 HydrophobicContact CG2-CH2 3.98Å; I1-W17 HydrophobicContact CG2-CZ3 3.58Å; I1-Y61 CarbonylContact O-C 3.37Å; I1-Y61 VanDerWaalsContact O-CA 3.29Å; I1-Y61 WeakPolarHBondContact O-CA 3.29Å; I1-M62 HydrophobicContact CD1-CE 3.74Å; I1-M62 HydrophobicContact CG1-CE 4.48Å; I1-M62 PolarHBondContact N-O 3.23Å; I1-M62 PolarHBondContact O-N 3.03Å; I1-L64 HydrophobicContact CD1-CD1 4.25Å; I1-Y75 HydrophobicContact CD1-CD1 4.23Å; I1-Y75 HydrophobicContact CD1-CD2 4.06Å; I1-Y75 HydrophobicContact CD1-CG 3.68Å; I1-V93 HydrophobicContact CD1-CG2 3.9Å
2	S	97.4	Very high	93.6	Very high	77 Å²	77	62.7 Å²	62.7	54%	0.538	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	150.2	177.8	55.7	0	0	0	0	110.7	A60	S2-A60 CarbonylContact C-O 3.57Å; S2-A60 WeakPolarHBondContact CA-O 3.25Å
3	C	97.2	Very high	93.5	Very high	16 Å²	16	60 Å²	60	11%	0.108	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	109.3	175.7	178.1	0	0	0	0	109.1	W17 T59 A60 C77	C3-W17 HydrophobicContact CB-CH2 3.7Å; C3-W17 HydrophobicContact CB-CZ2 4.09Å; C3-W17 HydrophobicContact CB-CZ3 4.44Å; C3-T59 WeakPolarHBondContact O-CA 3.46Å; C3-A60 PolarHBondContact N-O 3.25Å; C3-A60 PolarHBondContact O-N 3.45Å; C3-C77 HydrophobicContact CB-CB 3.41Å; C3-C77 VanDerWaalsContact CB-CB 3.41Å; C3-C77 WeakPolarHBondContact CB-SG 3.28Å; C3-C77 WeakPolarHBondContact SG-CB 3.26Å; C3-C77 CovalentContact SG-SG 2.03Å; C3-C77 PolarHBondContact SG-SG 2.86Å
4	K	96.7	Very high	93.6	Very high	158 Å²	158	57.9 Å²	57.9	69%	0.687	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	123.1	178.3	-173.2	173.5	-176.6	177.2	0	109.8
5	A	94.2	Very high	93.7	Very high	12 Å²	12	54.3 Å²	54.3	10%	0.099	35%	0.35	C	S	.	.			trans	-82.1	148.6	175	0	0	0	0	0	111.3	Y8 F10 M15 S58	A5-Y8 HydrophobicContact CB-CE1 3.71Å; A5-Y8 HydrophobicContact CB-CE2 4.42Å; A5-Y8 VanDerWaalsContact CB-OH 3.26Å; A5-Y8 WeakPolarHBondContact CB-OH 3.46Å; A5-F10 HydrophobicContact CB-CB 4.14Å; A5-F10 HydrophobicContact CB-CD2 3.35Å; A5-F10 HydrophobicContact CB-CE2 4.04Å; A5-F10 HydrophobicContact CB-CG 4.03Å; A5-M15 HydrophobicContact CB-CE 4.4Å; A5-S58 PolarHBondContact N-O 3.26Å
6	S	92.4	Very high	93.9	Very high	101 Å²	101	51.3 Å²	51.3	71%	0.706	33%	0.33	S	S	*	.			trans	-148.6	152.1	174.3	61	0	0	0	0	110.6	Y8	S6-Y8 VanDerWaalsContact O-CD1 3.25Å; S6-Y8 WeakPolarHBondContact O-CD1 3.42Å; S6-Y8 PolarHBondContact O-N 3.47Å
7	G	90.3	Very high	94.1	Very high	87 Å²	87	48.4 Å²	48.4	90%	0.897	31%	0.311	S	S	*	.	S	Bend	trans	77.7	13.8	175.1	0	0	0	0	0	115.9
8	Y	88	Confident	94.3	Very high	58 Å²	58	45.9 Å²	45.9	23%	0.227	30%	0.295	C	S	.	.	S	Bend	trans	-159.7	168.5	172.9	67.2	-81.4	0	0	0	112.1	A5 S6 F10 M15 R79	A5-Y8 HydrophobicContact CB-CE1 3.71Å; A5-Y8 HydrophobicContact CB-CE2 4.42Å; A5-Y8 VanDerWaalsContact CB-OH 3.26Å; A5-Y8 WeakPolarHBondContact CB-OH 3.46Å; S6-Y8 VanDerWaalsContact O-CD1 3.25Å; S6-Y8 WeakPolarHBondContact O-CD1 3.42Å; S6-Y8 PolarHBondContact O-N 3.47Å; Y8-F10 PolarHBondContact O-N 2.81Å; Y8-M15 WeakPolarHBondContact OH-CE 3.48Å; Y8-R79 HydrophobicContact CE2-CG 4.12Å
9	A	91.9	Very high	94.4	Very high	59 Å²	59	43.5 Å²	43.5	49%	0.488	28%	0.28	S	S	.	.			trans	-70.8	98.2	172.3	0	0	0	0	0	110.6	S11 S12	A9-S11 PolarHBondContact O-N 2.84Å; A9-S12 WeakPolarHBondContact CB-OG 3.46Å; A9-S12 PolarHBondContact O-N 2.98Å; A9-S12 VanDerWaalsContact O-N 3.09Å; A9-S12 PolarHBondContact O-OG 3.24Å; A9-S12 VanDerWaalsContact O-OG 3.11Å
10	F	93.6	Very high	94.5	Very high	5 Å²	5	45.1 Å²	45.1	2%	0.022	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-56.9	-36.5	-176.9	175.8	-114.6	0	0	0	113.4	A5 Y8 S12 M15 P34 A53 S58 A60	A5-F10 HydrophobicContact CB-CB 4.14Å; A5-F10 HydrophobicContact CB-CD2 3.35Å; A5-F10 HydrophobicContact CB-CE2 4.04Å; A5-F10 HydrophobicContact CB-CG 4.03Å; Y8-F10 PolarHBondContact O-N 2.81Å; F10-S12 PolarHBondContact O-N 3.13Å; F10-M15 HydrophobicContact CD2-CE 4.42Å; F10-M15 HydrophobicContact CE2-CE 3.93Å; F10-P34 HydrophobicContact CD1-CB 3.81Å; F10-P34 HydrophobicContact CD1-CG 4.06Å; F10-P34 HydrophobicContact CD2-CG 4.09Å; F10-P34 HydrophobicContact CE1-CB 3.47Å; F10-P34 VanDerWaalsContact CE1-CB 3.47Å; F10-P34 HydrophobicContact CE1-CG 3.63Å; F10-P34 HydrophobicContact CE2-CB 4.41Å; F10-P34 HydrophobicContact CE2-CG 3.65Å; F10-P34 HydrophobicContact CG-CB 4.44Å; F10-P34 HydrophobicContact CG-CG 4.3Å; F10-P34 HydrophobicContact CZ-CB 3.8Å; F10-P34 HydrophobicContact CZ-CG 3.4Å; F10-P34 VanDerWaalsContact CZ-CG 3.4Å; F10-P34 WeakPolarHBondContact O-CG 3.42Å; F10-A53 HydrophobicContact CE1-CB 4.06Å; F10-A53 HydrophobicContact CZ-CB 4Å; F10-S58 VanDerWaalsContact CD1-CA 3.48Å; F10-A60 HydrophobicContact CE2-CB 4.17Å; F10-A60 HydrophobicContact CZ-CB 3.9Å
11	S	94.2	Very high	94.5	Very high	56 Å²	56	46.3 Å²	46.3	39%	0.392	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-71.8	-6.6	179.7	56.7	0	0	0	0	115	A9 G35	A9-S11 PolarHBondContact O-N 2.84Å; S11-G35 WeakPolarHBondContact O-CA 3.26Å; S11-G35 PolarHBondContact O-N 3.44Å
12	S	91.9	Very high	94.3	Very high	65 Å²	65	49 Å²	49	46%	0.455	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-117.8	25.5	-178.5	72	0	0	0	0	113.1	A9 F10 Y33	A9-S12 WeakPolarHBondContact CB-OG 3.46Å; A9-S12 PolarHBondContact O-N 2.98Å; A9-S12 VanDerWaalsContact O-N 3.09Å; A9-S12 PolarHBondContact O-OG 3.24Å; A9-S12 VanDerWaalsContact O-OG 3.11Å; F10-S12 PolarHBondContact O-N 3.13Å; S12-Y33 WeakPolarHBondContact CA-OH 3.42Å
13	S	91.6	Very high	94.1	Very high	28 Å²	28	49.6 Å²	49.6	20%	0.196	32%	0.322	C	S	.	.	S	Bend	trans	-150.2	140.5	-179.4	-66.8	0	0	0	0	112.1	M15 P34	S13-M15 PolarHBondContact O-N 2.8Å; S13-P34 WeakPolarHBondContact O-CD 3.14Å
14	W	94.6	Very high	93.9	Very high	30 Å²	30	55.5 Å²	55.5	11%	0.114	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-65.3	131.1	173.2	-70.1	99.7	0	0	0	111.7	R31 Y33 D38 G80 D81	W14-R31 HydrophobicContact CD2-CG 4.25Å; W14-R31 HydrophobicContact CE3-CB 3.97Å; W14-R31 HydrophobicContact CE3-CG 3.46Å; W14-R31 VanDerWaalsContact CE3-CG 3.46Å; W14-R31 HydrophobicContact CZ3-CG 3.76Å; W14-Y33 AromaticContact CD2-CD2 3.98Å; W14-Y33 HydrophobicContact CD2-CD2 3.98Å; W14-Y33 HydrophobicContact CD2-CG 4.36Å; W14-Y33 AromaticContact CE2-CD2 3.93Å; W14-Y33 HydrophobicContact CG-CD2 4.12Å; W14-Y33 HydrophobicContact CZ2-CD2 4.44Å; W14-Y33 HydrophobicContact CZ2-CG 4.31Å; W14-Y33 VanDerWaalsContact CZ3-CB 3.45Å; W14-D38 HydrophobicContact CH2-CB 3.98Å; W14-D38 WeakPolarHBondContact CH2-OD2 3.44Å; W14-D38 WeakPolarHBondContact CZ3-O 3.4Å; W14-G80 WeakPolarHBondContact CB-O 3.45Å; W14-G80 PolarHBondContact O-N 3.24Å; W14-G80 VanDerWaalsContact O-N 3.16Å; W14-D81 VanDerWaalsContact CD1-OD1 3.3Å; W14-D81 PolarHBondContact NE1-OD1 3.37Å
15	M	96.1	Very high	93.7	Very high	4 Å²	4	50.6 Å²	50.6	2%	0.02	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	119.3	166.5	-173.4	63.2	71.3	0	0	109.2	A5 Y8 F10 S13 R31 I32 A60 C77	A5-M15 HydrophobicContact CB-CE 4.4Å; Y8-M15 WeakPolarHBondContact OH-CE 3.48Å; F10-M15 HydrophobicContact CD2-CE 4.42Å; F10-M15 HydrophobicContact CE2-CE 3.93Å; S13-M15 PolarHBondContact O-N 2.8Å; M15-R31 CarbonylContact O-C 3.48Å; M15-R31 WeakPolarHBondContact O-CA 3.38Å; M15-R31 WeakPolarHBondContact O-CB 3.39Å; M15-I32 HydrophobicContact CB-CG2 4.08Å; M15-I32 PolarHBondContact N-O 3.22Å; M15-I32 PolarHBondContact O-N 2.8Å; M15-A60 HydrophobicContact CB-CB 4.12Å; M15-A60 HydrophobicContact CG-CB 3.62Å; M15-C77 HydrophobicContact SD-CB 3.82Å
16	N	96.9	Very high	93.7	Very high	6 Å²	6	54.7 Å²	54.7	3%	0.032	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	149.5	-179.1	-61.3	-97.4	0	0	0	109.9	W28 G30 R31 C77 A78 G80 L84	N16-W28 PolarHBondContact OD1-NE1 3.07Å; N16-W28 VanDerWaalsContact OD1-NE1 3.08Å; N16-G30 CarbonylContact C-O 3.57Å; N16-G30 WeakPolarHBondContact CA-O 3.23Å; N16-R31 HydrophobicContact CB-CB 4.4Å; N16-R31 WeakPolarHBondContact OD1-CB 3.39Å; N16-C77 CarbonylContact O-C 3.45Å; N16-C77 VanDerWaalsContact O-CA 3.23Å; N16-C77 WeakPolarHBondContact O-CA 3.43Å; N16-A78 WeakPolarHBondContact CB-O 3.17Å; N16-A78 PolarHBondContact N-O 3.07Å; N16-A78 PolarHBondContact ND2-O 3.13Å; N16-A78 PolarHBondContact O-N 3.14Å; N16-G80 PolarHBondContact ND2-O 3.09Å; N16-L84 HydrophobicContact CB-CD2 3.65Å; N16-L84 VanDerWaalsContact ND2-CD2 3.27Å; N16-L84 WeakPolarHBondContact ND2-CD2 3.47Å
17	W	97.5	Very high	93.9	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.008	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	134.1	174.1	-66.8	92.8	0	0	0	109.9	I1 C3 I29 G30 L51 A60 M62 F76 C77	I1-W17 HydrophobicContact CB-CH2 4.25Å; I1-W17 HydrophobicContact CB-CZ3 4.03Å; I1-W17 HydrophobicContact CG2-CH2 3.98Å; I1-W17 HydrophobicContact CG2-CZ3 3.58Å; C3-W17 HydrophobicContact CB-CH2 3.7Å; C3-W17 HydrophobicContact CB-CZ2 4.09Å; C3-W17 HydrophobicContact CB-CZ3 4.44Å; W17-I29 HydrophobicContact CB-CB 4.17Å; W17-I29 HydrophobicContact CB-CD1 4.28Å; W17-I29 WeakPolarHBondContact O-CB 3.27Å; W17-I29 PolarHBondContact O-N 2.9Å; W17-G30 PolarHBondContact N-O 2.86Å; W17-L51 VanDerWaalsContact CD1-CD2 3.44Å; W17-L51 HydrophobicContact CG-CD2 4.03Å; W17-A60 HydrophobicContact CZ2-CB 4.15Å; W17-M62 HydrophobicContact CB-CE 4.37Å; W17-M62 HydrophobicContact CB-SD 3.75Å; W17-M62 HydrophobicContact CD2-CB 3.67Å; W17-M62 HydrophobicContact CD2-CE 4.15Å; W17-M62 HydrophobicContact CD2-CG 4.46Å; W17-M62 HydrophobicContact CD2-SD 4.05Å; W17-M62 HydrophobicContact CE3-CB 3.96Å; W17-M62 HydrophobicContact CE3-CE 3.68Å; W17-M62 HydrophobicContact CE3-SD 4.21Å; W17-M62 HydrophobicContact CG-CB 4.15Å; W17-M62 HydrophobicContact CG-CE 4.47Å; W17-M62 HydrophobicContact CG-SD 3.88Å; W17-M62 HydrophobicContact CH2-CB 4.16Å; W17-M62 HydrophobicContact CZ2-CB 3.89Å; W17-M62 HydrophobicContact CZ3-CB 4.2Å; W17-M62 HydrophobicContact CZ3-CE 4.31Å; W17-F76 WeakPolarHBondContact CA-O 3.28Å; W17-C77 HydrophobicContact CD2-CB 4.48Å; W17-C77 HydrophobicContact CE3-CB 4.13Å; W17-C77 HydrophobicContact CH2-CB 4.23Å; W17-C77 HydrophobicContact CZ3-CB 4Å
18	V	96.8	Very high	94.1	Very high	4 Å²	4	51 Å²	51	2%	0.024	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	138.6	-173.9	-175.8	0	0	0	0	109.4	L26 E27 Y75 F76 L84 W87	V18-L26 HydrophobicContact CG1-CB 3.8Å; V18-L26 HydrophobicContact CG1-CD2 3.89Å; V18-L26 HydrophobicContact CG1-CG 4.34Å; V18-E27 CarbonylContact C-O 3.54Å; V18-E27 WeakPolarHBondContact CA-O 3.47Å; V18-E27 WeakPolarHBondContact CG1-O 3.39Å; V18-Y75 CarbonylContact O-C 3.44Å; V18-Y75 WeakPolarHBondContact O-CA 3.49Å; V18-F76 PolarHBondContact N-O 2.78Å; V18-F76 PolarHBondContact O-N 2.95Å; V18-L84 HydrophobicContact CG2-CD1 3.97Å; V18-W87 HydrophobicContact CB-CH2 4.06Å; V18-W87 HydrophobicContact CB-CZ3 3.8Å; V18-W87 HydrophobicContact CG1-CH2 4.02Å; V18-W87 HydrophobicContact CG1-CZ3 4.03Å; V18-W87 HydrophobicContact CG2-CH2 3.75Å; V18-W87 HydrophobicContact CG2-CZ3 3.84Å
19	K	96.1	Very high	94.5	Very high	1 Å²	1	48.2 Å²	48.2	0%	0.004	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	139.3	176.4	-176.6	-178.6	178.6	-174.7	0	109.8	E27 I29 F45 E70 D71 A73 Y75	K19-E27 HydrophobicContact CB-CB 4.42Å; K19-E27 PolarHBondContact N-O 2.95Å; K19-E27 PolarHBondContact O-N 2.65Å; K19-I29 HydrophobicContact CB-CD1 3.99Å; K19-I29 HydrophobicContact CB-CG1 4.14Å; K19-F45 HydrophobicContact CD-CE1 3.97Å; K19-F45 HydrophobicContact CD-CZ 4.05Å; K19-E70 PolarHBondContact NZ-O 2.86Å; K19-D71 IonicContact NZ-OD1 3.65Å; K19-D71 PolarHBondContact NZ-OD1 2.92Å; K19-A73 HydrophobicContact CD-CB 4.11Å; K19-A73 HydrophobicContact CG-CB 3.46Å; K19-A73 VanDerWaalsContact CG-CB 3.46Å; K19-Y75 HydrophobicContact CB-CD1 4.19Å; K19-Y75 HydrophobicContact CB-CE1 4Å; K19-Y75 HydrophobicContact CD-CE1 3.97Å; K19-Y75 WeakPolarHBondContact CE-OH 3.36Å; K19-Y75 HydrophobicContact CG-CD1 4.3Å; K19-Y75 HydrophobicContact CG-CE1 3.8Å
20	Q	96.9	Very high	94.8	Very high	75 Å²	75	45.4 Å²	45.4	35%	0.35	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	115.5	169.4	-164.9	-177.9	28.9	0	0	110.5	L26 A73 V74 F76	Q20-L26 HydrophobicContact CB-CD2 3.88Å; Q20-L26 HydrophobicContact CG-CD2 4.01Å; Q20-A73 WeakPolarHBondContact O-CA 3.47Å; Q20-A73 VanDerWaalsContact O-CB 3.26Å; Q20-A73 WeakPolarHBondContact O-CB 3.39Å; Q20-V74 PolarHBondContact N-O 3.08Å; Q20-V74 PolarHBondContact O-N 3.19Å; Q20-F76 HydrophobicContact CB-CD2 4.47Å; Q20-F76 HydrophobicContact CB-CE2 3.81Å
21	R	95	Very high	94.9	Very high	70 Å²	70	47.9 Å²	47.9	26%	0.264	28%	0.28	S	S	.	.			trans	-84.2	150	170.1	-69.5	173.6	173.5	154.1	-11	110.2	G23 K24 E27 E70 A73	R21-G23 PolarHBondContact O-N 2.81Å; R21-K24 HydrophobicContact CB-CB 3.96Å; R21-K24 HydrophobicContact CB-CG 3.92Å; R21-K24 PolarHBondContact O-N 3.02Å; R21-E27 IonicContact NH1-OE2 2.8Å; R21-E70 VanDerWaalsContact CZ-O 3.22Å; R21-E70 PolarHBondContact NE-O 2.82Å; R21-E70 PolarHBondContact NH2-O 3.48Å; R21-A73 HydrophobicContact CG-CB 4.15Å
22	P	91.5	Very high	95	Very high	116 Å²	116	45.5 Å²	45.5	75%	0.753	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	127.8	172.4	-25.6	34.7	0	0	0	111.5	K24	P22-K24 PolarHBondContact O-N 3.25Å
23	G	92.2	Very high	95.2	Very high	88 Å²	88	45.3 Å²	45.3	91%	0.907	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	11.7	179.9	0	0	0	0	0	115.6	R21	R21-G23 PolarHBondContact O-N 2.81Å
24	K	93.4	Very high	95.5	Very high	140 Å²	140	44 Å²	44	61%	0.609	24%	0.244	S	C	*	.	S	Bend	trans	-118.9	160	175.3	-57.6	-63.7	-178.6	-176.2	0	111	R21 P22	R21-K24 HydrophobicContact CB-CB 3.96Å; R21-K24 HydrophobicContact CB-CG 3.92Å; R21-K24 PolarHBondContact O-N 3.02Å; P22-K24 PolarHBondContact O-N 3.25Å
25	G	93	Very high	95.5	Very high	56 Å²	56	43.8 Å²	43.8	58%	0.577	25%	0.251	S	S	*	.			trans	-67.7	173.9	173.3	0	0	0	0	0	113
26	L	94.6	Very high	95.5	Very high	97 Å²	97	49 Å²	49	51%	0.508	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	131.2	174.1	-65.6	171.4	0	0	0	110.5	V18 Q20 W87	V18-L26 HydrophobicContact CG1-CB 3.8Å; V18-L26 HydrophobicContact CG1-CD2 3.89Å; V18-L26 HydrophobicContact CG1-CG 4.34Å; Q20-L26 HydrophobicContact CB-CD2 3.88Å; Q20-L26 HydrophobicContact CG-CD2 4.01Å; L26-W87 HydrophobicContact CD1-CH2 3.9Å; L26-W87 HydrophobicContact CD1-CZ2 4.4Å
27	E	95.5	Very high	95.4	Very high	38 Å²	38	50.6 Å²	50.6	18%	0.178	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	112.4	174.5	-65.3	-172	93.7	0	0	109.3	V18 K19 R21 I29 K44 F45	V18-E27 CarbonylContact C-O 3.54Å; V18-E27 WeakPolarHBondContact CA-O 3.47Å; V18-E27 WeakPolarHBondContact CG1-O 3.39Å; K19-E27 HydrophobicContact CB-CB 4.42Å; K19-E27 PolarHBondContact N-O 2.95Å; K19-E27 PolarHBondContact O-N 2.65Å; R21-E27 IonicContact NH1-OE2 2.8Å; E27-I29 PolarHBondContact O-N 3.45Å; E27-K44 IonicContact OE1-NZ 3.47Å; E27-K44 PolarHBondContact OE1-NZ 2.97Å; E27-F45 HydrophobicContact CB-CE2 4.36Å; E27-F45 HydrophobicContact CB-CZ 4.32Å
28	W	95.6	Very high	95.4	Very high	73 Å²	73	54.7 Å²	54.7	28%	0.277	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	127.4	174.9	-177.6	83.1	0	0	0	110.4	N16 G30 R31 N40 N42	N16-W28 PolarHBondContact OD1-NE1 3.07Å; N16-W28 VanDerWaalsContact OD1-NE1 3.08Å; W28-G30 VanDerWaalsContact CZ2-CA 3.42Å; W28-R31 HydrophobicContact CH2-CG 4.47Å; W28-R31 HydrophobicContact CZ2-CB 3.91Å; W28-R31 HydrophobicContact CZ2-CG 3.75Å; W28-N40 HydrophobicContact CH2-CB 4.35Å; W28-N40 WeakPolarHBondContact CH2-OD1 3.22Å; W28-N42 HydrophobicContact CE3-CB 3.8Å; W28-N42 HydrophobicContact CZ3-CB 4Å; W28-N42 WeakPolarHBondContact O-CB 3.12Å; W28-N42 PolarHBondContact O-ND2 3.25Å
29	I	96.6	Very high	95.4	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-48.7	-176.5	-58.8	174.7	0	0	0	110	W17 K19 E27 N42 F45 A49 M62 Y75	W17-I29 HydrophobicContact CB-CB 4.17Å; W17-I29 HydrophobicContact CB-CD1 4.28Å; W17-I29 WeakPolarHBondContact O-CB 3.27Å; W17-I29 PolarHBondContact O-N 2.9Å; K19-I29 HydrophobicContact CB-CD1 3.99Å; K19-I29 HydrophobicContact CB-CG1 4.14Å; E27-I29 PolarHBondContact O-N 3.45Å; I29-N42 WeakPolarHBondContact O-CB 3.01Å; I29-N42 PolarHBondContact O-N 3.16Å; I29-F45 HydrophobicContact CB-CD1 4.49Å; I29-F45 HydrophobicContact CB-CD2 4.32Å; I29-F45 HydrophobicContact CB-CG 4.21Å; I29-F45 HydrophobicContact CG1-CD1 4.16Å; I29-F45 HydrophobicContact CG1-CD2 4.33Å; I29-F45 HydrophobicContact CG1-CE1 4.09Å; I29-F45 HydrophobicContact CG1-CE2 4.25Å; I29-F45 HydrophobicContact CG1-CG 4.27Å; I29-F45 HydrophobicContact CG1-CZ 4.12Å; I29-F45 HydrophobicContact CG2-CB 3.69Å; I29-F45 HydrophobicContact CG2-CD1 4Å; I29-F45 HydrophobicContact CG2-CD2 4.35Å; I29-F45 HydrophobicContact CG2-CG 3.76Å; I29-A49 HydrophobicContact CG2-CB 3.78Å; I29-M62 HydrophobicContact CD1-CE 3.82Å; I29-M62 HydrophobicContact CD1-SD 3.66Å; I29-M62 HydrophobicContact CG2-SD 3.96Å; I29-Y75 HydrophobicContact CD1-CD1 3.7Å; I29-Y75 HydrophobicContact CD1-CE1 3.83Å
30	G	96.4	Very high	95.3	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.8	178.3	-173	0	0	0	0	0	111.9	N16 W17 W28 N40	N16-G30 CarbonylContact C-O 3.57Å; N16-G30 WeakPolarHBondContact CA-O 3.23Å; W17-G30 PolarHBondContact N-O 2.86Å; W28-G30 VanDerWaalsContact CZ2-CA 3.42Å; G30-N40 CarbonylContact C-O 3.52Å; G30-N40 WeakPolarHBondContact CA-O 3.38Å
31	R	96.5	Very high	95.3	Very high	57 Å²	57	59.8 Å²	59.8	22%	0.215	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	155	175.8	67.5	-174.6	-179.5	164.1	3.9	111.8	W14 M15 N16 W28 T39 N40 D81	W14-R31 HydrophobicContact CD2-CG 4.25Å; W14-R31 HydrophobicContact CE3-CB 3.97Å; W14-R31 HydrophobicContact CE3-CG 3.46Å; W14-R31 VanDerWaalsContact CE3-CG 3.46Å; W14-R31 HydrophobicContact CZ3-CG 3.76Å; M15-R31 CarbonylContact O-C 3.48Å; M15-R31 WeakPolarHBondContact O-CA 3.38Å; M15-R31 WeakPolarHBondContact O-CB 3.39Å; N16-R31 HydrophobicContact CB-CB 4.4Å; N16-R31 WeakPolarHBondContact OD1-CB 3.39Å; W28-R31 HydrophobicContact CH2-CG 4.47Å; W28-R31 HydrophobicContact CZ2-CB 3.91Å; W28-R31 HydrophobicContact CZ2-CG 3.75Å; R31-T39 VanDerWaalsContact O-CA 3.31Å; R31-T39 WeakPolarHBondContact O-CA 3.19Å; R31-N40 HydrophobicContact CG-CB 4.15Å; R31-N40 PolarHBondContact N-O 2.87Å; R31-N40 PolarHBondContact O-N 3.27Å; R31-D81 IonicContact CZ-OD1 3.77Å; R31-D81 IonicContact NH1-OD1 2.8Å; R31-D81 PolarHBondContact NH1-OD1 3Å; R31-D81 IonicContact NH2-OD1 3.96Å
32	I	97.1	Very high	95.3	Very high	5 Å²	5	58.8 Å²	58.8	3%	0.026	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	138.2	172.7	-176.2	166.1	0	0	0	109.7	M15 P34 D38 T39 L51 A53	M15-I32 HydrophobicContact CB-CG2 4.08Å; M15-I32 PolarHBondContact N-O 3.22Å; M15-I32 PolarHBondContact O-N 2.8Å; I32-P34 WeakPolarHBondContact O-CD 3.41Å; I32-D38 CarbonylContact C-O 3.57Å; I32-D38 VanDerWaalsContact CA-O 3.29Å; I32-D38 WeakPolarHBondContact CA-O 3.37Å; I32-T39 HydrophobicContact CB-CG2 3.98Å; I32-T39 HydrophobicContact CD1-CG2 3.96Å; I32-T39 HydrophobicContact CG1-CG2 3.8Å; I32-L51 HydrophobicContact CB-CB 4.14Å; I32-L51 HydrophobicContact CD1-CB 4.49Å; I32-L51 HydrophobicContact CG2-CB 4.42Å; I32-A53 HydrophobicContact CD1-CB 3.92Å
33	Y	96.4	Very high	95.3	Very high	61 Å²	61	56.2 Å²	56.2	24%	0.239	34%	0.341	C	S	.	.			trans	-96.6	108.6	167.9	-169.7	-111.5	0	0	0	108.3	S12 W14 G35 D36 G37 D38	S12-Y33 WeakPolarHBondContact CA-OH 3.42Å; W14-Y33 AromaticContact CD2-CD2 3.98Å; W14-Y33 HydrophobicContact CD2-CD2 3.98Å; W14-Y33 HydrophobicContact CD2-CG 4.36Å; W14-Y33 AromaticContact CE2-CD2 3.93Å; W14-Y33 HydrophobicContact CG-CD2 4.12Å; W14-Y33 HydrophobicContact CZ2-CD2 4.44Å; W14-Y33 HydrophobicContact CZ2-CG 4.31Å; W14-Y33 VanDerWaalsContact CZ3-CB 3.45Å; Y33-G35 PolarHBondContact O-N 2.85Å; Y33-G35 VanDerWaalsContact O-N 3.08Å; Y33-D36 WeakPolarHBondContact CD1-OD1 3.45Å; Y33-G37 VanDerWaalsContact O-CA 3.28Å; Y33-G37 WeakPolarHBondContact O-CA 3.35Å; Y33-G37 PolarHBondContact O-N 2.88Å; Y33-D38 PolarHBondContact N-O 2.99Å
34	P	96.2	Very high	95.3	Very high	2 Å²	2	59 Å²	59	1%	0.013	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-14.4	-175.2	-21.1	34.4	0	0	0	113.7	F10 S13 I32 A53 K55	F10-P34 HydrophobicContact CD1-CB 3.81Å; F10-P34 HydrophobicContact CD1-CG 4.06Å; F10-P34 HydrophobicContact CD2-CG 4.09Å; F10-P34 HydrophobicContact CE1-CB 3.47Å; F10-P34 VanDerWaalsContact CE1-CB 3.47Å; F10-P34 HydrophobicContact CE1-CG 3.63Å; F10-P34 HydrophobicContact CE2-CB 4.41Å; F10-P34 HydrophobicContact CE2-CG 3.65Å; F10-P34 HydrophobicContact CG-CB 4.44Å; F10-P34 HydrophobicContact CG-CG 4.3Å; F10-P34 HydrophobicContact CZ-CB 3.8Å; F10-P34 HydrophobicContact CZ-CG 3.4Å; F10-P34 VanDerWaalsContact CZ-CG 3.4Å; F10-P34 WeakPolarHBondContact O-CG 3.42Å; S13-P34 WeakPolarHBondContact O-CD 3.14Å; I32-P34 WeakPolarHBondContact O-CD 3.41Å; P34-A53 HydrophobicContact CB-CB 3.81Å; P34-A53 HydrophobicContact CG-CB 4.1Å; P34-K55 WeakPolarHBondContact O-CD 3.42Å; P34-K55 WeakPolarHBondContact O-CE 3.35Å
35	G	95.3	Very high	95.2	Very high	25 Å²	25	52.9 Å²	52.9	26%	0.258	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-47.7	-179.5	0	0	0	0	0	113.3	S11 Y33 K55	S11-G35 WeakPolarHBondContact O-CA 3.26Å; S11-G35 PolarHBondContact O-N 3.44Å; Y33-G35 PolarHBondContact O-N 2.85Å; Y33-G35 VanDerWaalsContact O-N 3.08Å; G35-K55 PolarHBondContact O-NZ 2.91Å
36	D	95.5	Very high	95	Very high	113 Å²	113	58 Å²	58	60%	0.604	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.4	-8.6	-178.4	55.3	20.6	0	0	0	113.3	Y33 D38	Y33-D36 WeakPolarHBondContact CD1-OD1 3.45Å; D36-D38 VanDerWaalsContact OD1-CB 3.28Å; D36-D38 WeakPolarHBondContact OD1-CB 3Å; D36-D38 PolarHBondContact OD1-N 2.9Å
37	G	95.8	Very high	94.7	Very high	39 Å²	39	56.6 Å²	56.6	40%	0.402	32%	0.316	S	S	.	.			trans	83.8	11.1	-177.8	0	0	0	0	0	113.8	Y33	Y33-G37 VanDerWaalsContact O-CA 3.28Å; Y33-G37 WeakPolarHBondContact O-CA 3.35Å; Y33-G37 PolarHBondContact O-N 2.88Å
38	D	96.2	Very high	94.6	Very high	89 Å²	89	58.2 Å²	58.2	48%	0.476	32%	0.323	S	S	.	.			trans	-60.3	139.2	176.4	-172.3	23.3	0	0	0	110.7	W14 I32 Y33 D36	W14-D38 HydrophobicContact CH2-CB 3.98Å; W14-D38 WeakPolarHBondContact CH2-OD2 3.44Å; W14-D38 WeakPolarHBondContact CZ3-O 3.4Å; I32-D38 CarbonylContact C-O 3.57Å; I32-D38 VanDerWaalsContact CA-O 3.29Å; I32-D38 WeakPolarHBondContact CA-O 3.37Å; Y33-D38 PolarHBondContact N-O 2.99Å; D36-D38 VanDerWaalsContact OD1-CB 3.28Å; D36-D38 WeakPolarHBondContact OD1-CB 3Å; D36-D38 PolarHBondContact OD1-N 2.9Å
39	T	96.9	Very high	94.6	Very high	49 Å²	49	54.9 Å²	54.9	30%	0.301	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	139.7	-176.8	55.4	0	0	0	0	111.5	R31 I32 Y41 L51	R31-T39 VanDerWaalsContact O-CA 3.31Å; R31-T39 WeakPolarHBondContact O-CA 3.19Å; I32-T39 HydrophobicContact CB-CG2 3.98Å; I32-T39 HydrophobicContact CD1-CG2 3.96Å; I32-T39 HydrophobicContact CG1-CG2 3.8Å; T39-Y41 WeakPolarHBondContact OG1-CE2 3.5Å; T39-L51 HydrophobicContact CG2-CB 4.21Å
40	N	95.5	Very high	94.7	Very high	80 Å²	80	58.1 Å²	58.1	43%	0.428	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	139.8	171.3	-171.7	-122.8	0	0	0	110.1	W28 G30 R31	W28-N40 HydrophobicContact CH2-CB 4.35Å; W28-N40 WeakPolarHBondContact CH2-OD1 3.22Å; G30-N40 CarbonylContact C-O 3.52Å; G30-N40 WeakPolarHBondContact CA-O 3.38Å; R31-N40 HydrophobicContact CG-CB 4.15Å; R31-N40 PolarHBondContact N-O 2.87Å; R31-N40 PolarHBondContact O-N 3.27Å
41	Y	96.1	Very high	94.7	Very high	57 Å²	57	58.5 Å²	58.5	22%	0.224	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	146.7	-174	-66.2	-91.6	0	0	0	110.3	T39 A49 L51	T39-Y41 WeakPolarHBondContact OG1-CE2 3.5Å; Y41-A49 HydrophobicContact CE1-CB 4.38Å; Y41-A49 WeakPolarHBondContact CE1-O 3.34Å; Y41-L51 HydrophobicContact CE1-CD1 4.04Å; Y41-L51 HydrophobicContact CE1-CG 3.7Å; Y41-L51 PolarHBondContact OH-N 2.84Å
42	N	94.8	Very high	94.8	Very high	49 Å²	49	59.2 Å²	59.2	26%	0.262	34%	0.344	S	S	.	.			trans	-69.3	135	158.8	-177.8	-26	0	0	0	108.9	W28 I29 K44 F45 K46	W28-N42 HydrophobicContact CE3-CB 3.8Å; W28-N42 HydrophobicContact CZ3-CB 4Å; W28-N42 WeakPolarHBondContact O-CB 3.12Å; W28-N42 PolarHBondContact O-ND2 3.25Å; I29-N42 WeakPolarHBondContact O-CB 3.01Å; I29-N42 PolarHBondContact O-N 3.16Å; N42-K44 PolarHBondContact O-N 3.45Å; N42-K44 PolarHBondContact OD1-N 3.34Å; N42-K44 VanDerWaalsContact OD1-N 3.13Å; N42-F45 HydrophobicContact CB-CD2 4.02Å; N42-F45 PolarHBondContact O-N 2.83Å; N42-K46 PolarHBondContact O-N 3.47Å; N42-K46 VanDerWaalsContact O-N 3.16Å
43	G	92.8	Very high	94.8	Very high	63 Å²	63	60.6 Å²	60.6	65%	0.649	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-33.3	-178.9	0	0	0	0	0	114	F45 K46	G43-F45 PolarHBondContact O-N 2.86Å; G43-K46 PolarHBondContact O-N 2.85Å
44	K	90.3	Very high	94.9	Very high	147 Å²	147	60.4 Å²	60.4	64%	0.639	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-26	176.9	-67.3	-175.1	-178.7	-179.4	0	114.3	E27 N42	E27-K44 IonicContact OE1-NZ 3.47Å; E27-K44 PolarHBondContact OE1-NZ 2.97Å; N42-K44 PolarHBondContact O-N 3.45Å; N42-K44 PolarHBondContact OD1-N 3.34Å; N42-K44 VanDerWaalsContact OD1-N 3.13Å
45	F	91.4	Very high	94.8	Very high	10 Å²	10	66 Å²	66	4%	0.044	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-4.2	-174	-63.4	-85.3	0	0	0	112.9	K19 E27 I29 N42 G43 G47 K48 A49	K19-F45 HydrophobicContact CD-CE1 3.97Å; K19-F45 HydrophobicContact CD-CZ 4.05Å; E27-F45 HydrophobicContact CB-CE2 4.36Å; E27-F45 HydrophobicContact CB-CZ 4.32Å; I29-F45 HydrophobicContact CB-CD1 4.49Å; I29-F45 HydrophobicContact CB-CD2 4.32Å; I29-F45 HydrophobicContact CB-CG 4.21Å; I29-F45 HydrophobicContact CG1-CD1 4.16Å; I29-F45 HydrophobicContact CG1-CD2 4.33Å; I29-F45 HydrophobicContact CG1-CE1 4.09Å; I29-F45 HydrophobicContact CG1-CE2 4.25Å; I29-F45 HydrophobicContact CG1-CG 4.27Å; I29-F45 HydrophobicContact CG1-CZ 4.12Å; I29-F45 HydrophobicContact CG2-CB 3.69Å; I29-F45 HydrophobicContact CG2-CD1 4Å; I29-F45 HydrophobicContact CG2-CD2 4.35Å; I29-F45 HydrophobicContact CG2-CG 3.76Å; N42-F45 HydrophobicContact CB-CD2 4.02Å; N42-F45 PolarHBondContact O-N 2.83Å; G43-F45 PolarHBondContact O-N 2.86Å; F45-G47 PolarHBondContact O-N 2.84Å; F45-K48 PolarHBondContact O-N 3.1Å; F45-A49 PolarHBondContact O-N 3.26Å
46	K	89.6	Confident	94.8	Very high	163 Å²	163	70 Å²	70	71%	0.709	41%	0.407	S	S	*	.	B	Isolated β-bridge	trans	-60.3	122.2	174.5	-167.5	171.9	-174.4	178.3	0	109.1	N42 G43 K48	N42-K46 PolarHBondContact O-N 3.47Å; N42-K46 VanDerWaalsContact O-N 3.16Å; G43-K46 PolarHBondContact O-N 2.85Å; K46-K48 VanDerWaalsContact C-N 3.3Å; K46-K48 PolarHBondContact O-N 3.43Å
47	G	89.3	Confident	94.8	Very high	68 Å²	68	66.4 Å²	66.4	70%	0.701	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.3	-15	-176.3	0	0	0	0	0	115.5	F45 S65	F45-G47 PolarHBondContact O-N 2.84Å; G47-S65 PolarHBondContact O-OG 2.88Å
48	K	92.6	Very high	94.9	Very high	72 Å²	72	66.3 Å²	66.3	31%	0.313	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-32.2	170.9	-77.4	-166.8	165.6	-157.7	0	113	F45 K46 L64 S65 D71	F45-K48 PolarHBondContact O-N 3.1Å; K46-K48 VanDerWaalsContact C-N 3.3Å; K46-K48 PolarHBondContact O-N 3.43Å; K48-L64 WeakPolarHBondContact O-CA 3.43Å; K48-S65 PolarHBondContact O-N 2.82Å; K48-S65 PolarHBondContact O-OG 2.88Å; K48-D71 IonicContact NZ-OD1 3.85Å; K48-D71 IonicContact NZ-OD2 2.99Å; K48-D71 PolarHBondContact NZ-OD2 3.24Å
49	A	96	Very high	94.9	Very high	4 Å²	4	62.7 Å²	62.7	3%	0.033	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	137.7	-180	0	0	0	0	0	110.5	I29 Y41 F45 M62 Q63 L64	I29-A49 HydrophobicContact CG2-CB 3.78Å; Y41-A49 HydrophobicContact CE1-CB 4.38Å; Y41-A49 WeakPolarHBondContact CE1-O 3.34Å; F45-A49 PolarHBondContact O-N 3.26Å; A49-M62 HydrophobicContact CB-CG 4.33Å; A49-M62 HydrophobicContact CB-SD 4.34Å; A49-Q63 CarbonylContact C-O 3.59Å; A49-Q63 WeakPolarHBondContact CA-O 2.99Å; A49-L64 HydrophobicContact CB-CD2 3.93Å
50	T	97.5	Very high	95	Very high	67 Å²	67	60.3 Å²	60.3	41%	0.411	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	122.1	168.5	-58.7	0	0	0	0	108.2	T52 M62 Q63	T50-T52 HydrophobicContact CG2-CG2 4.33Å; T50-M62 WeakPolarHBondContact O-CA 3.39Å; T50-Q63 PolarHBondContact N-O 2.75Å; T50-Q63 PolarHBondContact O-N 2.75Å
51	L	97.9	Very high	95.1	Very high	8 Å²	8	60.6 Å²	60.6	4%	0.042	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	131.8	179.1	-52.2	-175.7	0	0	0	110.1	W17 I32 T39 Y41 Y61 M62	W17-L51 VanDerWaalsContact CD1-CD2 3.44Å; W17-L51 HydrophobicContact CG-CD2 4.03Å; I32-L51 HydrophobicContact CB-CB 4.14Å; I32-L51 HydrophobicContact CD1-CB 4.49Å; I32-L51 HydrophobicContact CG2-CB 4.42Å; T39-L51 HydrophobicContact CG2-CB 4.21Å; Y41-L51 HydrophobicContact CE1-CD1 4.04Å; Y41-L51 HydrophobicContact CE1-CG 3.7Å; Y41-L51 PolarHBondContact OH-N 2.84Å; L51-Y61 WeakPolarHBondContact CA-O 3.4Å; L51-M62 HydrophobicContact CD2-CB 3.72Å; L51-M62 HydrophobicContact CD2-CG 3.64Å; L51-M62 HydrophobicContact CD2-SD 4.06Å
52	T	98	Very high	95.2	Very high	72 Å²	72	58 Å²	58	44%	0.442	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	164.9	174.2	64	0	0	0	0	110.5	T50 Y61	T50-T52 HydrophobicContact CG2-CG2 4.33Å; T52-Y61 PolarHBondContact N-O 3.16Å; T52-Y61 PolarHBondContact O-N 2.03Å; T52-Y61 WeakPolarHBondContact OG1-CB 3.26Å
53	A	97.8	Very high	95.3	Very high	34 Å²	34	62 Å²	62	28%	0.281	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	139.6	177.1	0	0	0	0	0	111	F10 I32 P34 T59	F10-A53 HydrophobicContact CE1-CB 4.06Å; F10-A53 HydrophobicContact CZ-CB 4Å; I32-A53 HydrophobicContact CD1-CB 3.92Å; P34-A53 HydrophobicContact CB-CB 3.81Å; P34-A53 HydrophobicContact CG-CB 4.1Å; A53-T59 WeakPolarHBondContact CA-O 3.43Å
54	D	97	Very high	95.4	Very high	58 Å²	58	60.7 Å²	60.7	31%	0.31	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	112.4	170.1	172.9	15.1	0	0	0	109.1	S56 S57 S58 T59 Y61	D54-S56 VanDerWaalsContact C-N 3.31Å; D54-S56 VanDerWaalsContact CG-OG 3.29Å; D54-S56 WeakPolarHBondContact OD1-CB 3.45Å; D54-S56 PolarHBondContact OD1-N 2.79Å; D54-S56 PolarHBondContact OD1-OG 3.37Å; D54-S56 PolarHBondContact OD2-OG 2.8Å; D54-S57 VanDerWaalsContact CG-OG 3.22Å; D54-S57 VanDerWaalsContact OD2-CB 3.24Å; D54-S57 WeakPolarHBondContact OD2-CB 3.46Å; D54-S57 PolarHBondContact OD2-N 3.08Å; D54-S57 PolarHBondContact OD2-OG 2.82Å; D54-S58 WeakPolarHBondContact O-CA 3.31Å; D54-S58 PolarHBondContact O-N 2.95Å; D54-S58 VanDerWaalsContact O-N 3.09Å; D54-T59 PolarHBondContact N-O 3.01Å; D54-T59 PolarHBondContact O-N 3.31Å; D54-Y61 HydrophobicContact CB-CE2 4Å
55	K	95	Very high	95.6	Very high	118 Å²	118	56 Å²	56	51%	0.513	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-33.1	-178.8	-52.4	-176.9	-148.2	-170.5	0	111.6	P34 G35 S58	P34-K55 WeakPolarHBondContact O-CD 3.42Å; P34-K55 WeakPolarHBondContact O-CE 3.35Å; G35-K55 PolarHBondContact O-NZ 2.91Å; K55-S58 PolarHBondContact O-N 3.07Å
56	S	94.6	Very high	95.5	Very high	109 Å²	109	60.7 Å²	60.7	76%	0.762	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-41.6	-175.6	72.3	0	0	0	0	111.6	D54	D54-S56 VanDerWaalsContact C-N 3.31Å; D54-S56 VanDerWaalsContact CG-OG 3.29Å; D54-S56 WeakPolarHBondContact OD1-CB 3.45Å; D54-S56 PolarHBondContact OD1-N 2.79Å; D54-S56 PolarHBondContact OD1-OG 3.37Å; D54-S56 PolarHBondContact OD2-OG 2.8Å
57	S	96.4	Very high	95.6	Very high	38 Å²	38	56 Å²	56	27%	0.266	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-2.8	176.4	66.5	0	0	0	0	113.8	D54 T59	D54-S57 VanDerWaalsContact CG-OG 3.22Å; D54-S57 VanDerWaalsContact OD2-CB 3.24Å; D54-S57 WeakPolarHBondContact OD2-CB 3.46Å; D54-S57 PolarHBondContact OD2-N 3.08Å; D54-S57 PolarHBondContact OD2-OG 2.82Å; S57-T59 PolarHBondContact O-N 2.94Å; S57-T59 PolarHBondContact O-OG1 2.79Å; S57-T59 WeakPolarHBondContact OG-CB 3.29Å; S57-T59 PolarHBondContact OG-OG1 3.22Å
58	S	96.6	Very high	95.8	Very high	38 Å²	38	55.7 Å²	55.7	27%	0.266	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	41.7	-171.6	-63.3	0	0	0	0	112.9	A5 F10 D54 K55	A5-S58 PolarHBondContact N-O 3.26Å; F10-S58 VanDerWaalsContact CD1-CA 3.48Å; D54-S58 WeakPolarHBondContact O-CA 3.31Å; D54-S58 PolarHBondContact O-N 2.95Å; D54-S58 VanDerWaalsContact O-N 3.09Å; K55-S58 PolarHBondContact O-N 3.07Å
59	T	97.9	Very high	95.9	Very high	12 Å²	12	55.4 Å²	55.4	7%	0.074	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	128.3	-174.5	-53.3	0	0	0	0	110.9	C3 A53 D54 S57 Y61	C3-T59 WeakPolarHBondContact O-CA 3.46Å; A53-T59 WeakPolarHBondContact CA-O 3.43Å; D54-T59 PolarHBondContact N-O 3.01Å; D54-T59 PolarHBondContact O-N 3.31Å; S57-T59 PolarHBondContact O-N 2.94Å; S57-T59 PolarHBondContact O-OG1 2.79Å; S57-T59 WeakPolarHBondContact OG-CB 3.29Å; S57-T59 PolarHBondContact OG-OG1 3.22Å; T59-Y61 HydrophobicContact CG2-CD1 4.32Å; T59-Y61 HydrophobicContact CG2-CD2 4.41Å; T59-Y61 HydrophobicContact CG2-CE1 3.68Å; T59-Y61 HydrophobicContact CG2-CE2 3.77Å; T59-Y61 WeakPolarHBondContact CG2-OH 3.32Å; T59-Y61 WeakPolarHBondContact O-CE2 3.43Å
60	A	97.8	Very high	95.6	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	149.9	167.9	0	0	0	0	0	110.1	S2 C3 F10 M15 W17	S2-A60 CarbonylContact C-O 3.57Å; S2-A60 WeakPolarHBondContact CA-O 3.25Å; C3-A60 PolarHBondContact N-O 3.25Å; C3-A60 PolarHBondContact O-N 3.45Å; F10-A60 HydrophobicContact CE2-CB 4.17Å; F10-A60 HydrophobicContact CZ-CB 3.9Å; M15-A60 HydrophobicContact CB-CB 4.12Å; M15-A60 HydrophobicContact CG-CB 3.62Å; W17-A60 HydrophobicContact CZ2-CB 4.15Å
61	Y	98.3	Very high	95.4	Very high	86 Å²	86	58.7 Å²	58.7	34%	0.337	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	145.7	178.3	-53.4	-92.7	0	0	0	110.6	I1 L51 T52 D54 T59	I1-Y61 CarbonylContact O-C 3.37Å; I1-Y61 VanDerWaalsContact O-CA 3.29Å; I1-Y61 WeakPolarHBondContact O-CA 3.29Å; L51-Y61 WeakPolarHBondContact CA-O 3.4Å; T52-Y61 PolarHBondContact N-O 3.16Å; T52-Y61 PolarHBondContact O-N 2.03Å; T52-Y61 WeakPolarHBondContact OG1-CB 3.26Å; D54-Y61 HydrophobicContact CB-CE2 4Å; T59-Y61 HydrophobicContact CG2-CD1 4.32Å; T59-Y61 HydrophobicContact CG2-CD2 4.41Å; T59-Y61 HydrophobicContact CG2-CE1 3.68Å; T59-Y61 HydrophobicContact CG2-CE2 3.77Å; T59-Y61 WeakPolarHBondContact CG2-OH 3.32Å; T59-Y61 WeakPolarHBondContact O-CE2 3.43Å
62	M	97.9	Very high	95.3	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.005	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	118.1	166	176.3	172.8	68.7	0	0	108.4	I1 W17 I29 A49 T50 L51 L64 Y75	I1-M62 HydrophobicContact CD1-CE 3.74Å; I1-M62 HydrophobicContact CG1-CE 4.48Å; I1-M62 PolarHBondContact N-O 3.23Å; I1-M62 PolarHBondContact O-N 3.03Å; W17-M62 HydrophobicContact CB-CE 4.37Å; W17-M62 HydrophobicContact CB-SD 3.75Å; W17-M62 HydrophobicContact CD2-CB 3.67Å; W17-M62 HydrophobicContact CD2-CE 4.15Å; W17-M62 HydrophobicContact CD2-CG 4.46Å; W17-M62 HydrophobicContact CD2-SD 4.05Å; W17-M62 HydrophobicContact CE3-CB 3.96Å; W17-M62 HydrophobicContact CE3-CE 3.68Å; W17-M62 HydrophobicContact CE3-SD 4.21Å; W17-M62 HydrophobicContact CG-CB 4.15Å; W17-M62 HydrophobicContact CG-CE 4.47Å; W17-M62 HydrophobicContact CG-SD 3.88Å; W17-M62 HydrophobicContact CH2-CB 4.16Å; W17-M62 HydrophobicContact CZ2-CB 3.89Å; W17-M62 HydrophobicContact CZ3-CB 4.2Å; W17-M62 HydrophobicContact CZ3-CE 4.31Å; I29-M62 HydrophobicContact CD1-CE 3.82Å; I29-M62 HydrophobicContact CD1-SD 3.66Å; I29-M62 HydrophobicContact CG2-SD 3.96Å; A49-M62 HydrophobicContact CB-CG 4.33Å; A49-M62 HydrophobicContact CB-SD 4.34Å; T50-M62 WeakPolarHBondContact O-CA 3.39Å; L51-M62 HydrophobicContact CD2-CB 3.72Å; L51-M62 HydrophobicContact CD2-CG 3.64Å; L51-M62 HydrophobicContact CD2-SD 4.06Å; M62-L64 HydrophobicContact CE-CD1 4.25Å; M62-L64 HydrophobicContact CE-CD2 4.29Å; M62-L64 HydrophobicContact CE-CG 4.35Å; M62-L64 HydrophobicContact CG-CD2 4.16Å; M62-L64 HydrophobicContact CG-CG 4.33Å; M62-L64 HydrophobicContact SD-CD2 4.05Å; M62-Y75 HydrophobicContact CE-CD1 3.55Å; M62-Y75 HydrophobicContact CE-CE1 4.21Å; M62-Y75 HydrophobicContact CE-CG 4.22Å
63	Q	97.2	Very high	95.2	Very high	135 Å²	135	56.5 Å²	56.5	63%	0.631	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	130	169.3	-175.1	175.3	2.1	0	0	108.4	A49 T50	A49-Q63 CarbonylContact C-O 3.59Å; A49-Q63 WeakPolarHBondContact CA-O 2.99Å; T50-Q63 PolarHBondContact N-O 2.75Å; T50-Q63 PolarHBondContact O-N 2.75Å
64	L	95.1	Very high	95.2	Very high	35 Å²	35	57 Å²	57	18%	0.183	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	137	174.4	-63.3	168.9	0	0	0	108.7	I1 K48 A49 M62 L67 Y75	I1-L64 HydrophobicContact CD1-CD1 4.25Å; K48-L64 WeakPolarHBondContact O-CA 3.43Å; A49-L64 HydrophobicContact CB-CD2 3.93Å; M62-L64 HydrophobicContact CE-CD1 4.25Å; M62-L64 HydrophobicContact CE-CD2 4.29Å; M62-L64 HydrophobicContact CE-CG 4.35Å; M62-L64 HydrophobicContact CG-CD2 4.16Å; M62-L64 HydrophobicContact CG-CG 4.33Å; M62-L64 HydrophobicContact SD-CD2 4.05Å; L64-L67 HydrophobicContact CB-CD1 4.12Å; L64-L67 HydrophobicContact CB-CD2 3.79Å; L64-L67 HydrophobicContact CB-CG 4.06Å; L64-L67 HydrophobicContact CD1-CD2 4.05Å; L64-L67 HydrophobicContact CG-CD2 4.44Å; L64-Y75 HydrophobicContact CD1-CD1 4.27Å; L64-Y75 HydrophobicContact CD1-CE1 3.7Å; L64-Y75 HydrophobicContact CD1-CE2 4.33Å
65	S	93.1	Very high	95.3	Very high	48 Å²	48	54.4 Å²	54.4	34%	0.336	31%	0.309	S	S	.	.			trans	-121.5	154	178.7	54.6	0	0	0	0	111	G47 K48 L67	G47-S65 PolarHBondContact O-OG 2.88Å; K48-S65 PolarHBondContact O-N 2.82Å; K48-S65 PolarHBondContact O-OG 2.88Å; S65-L67 VanDerWaalsContact C-N 3.28Å; S65-L67 PolarHBondContact O-N 3.46Å
66	S	90.8	Very high	95.4	Very high	108 Å²	108	50.2 Å²	50.2	76%	0.755	29%	0.291	S	S	*	.	S	Bend	trans	51.4	45.5	176.2	-53.3	0	0	0	0	113.6
67	L	91.7	Very high	95.5	Very high	64 Å²	64	45.7 Å²	45.7	34%	0.335	26%	0.259	S	S	.	.			trans	-66.6	139.1	-179.3	-72.3	174.1	0	0	0	111.3	L64 S65 D71 V95	L64-L67 HydrophobicContact CB-CD1 4.12Å; L64-L67 HydrophobicContact CB-CD2 3.79Å; L64-L67 HydrophobicContact CB-CG 4.06Å; L64-L67 HydrophobicContact CD1-CD2 4.05Å; L64-L67 HydrophobicContact CG-CD2 4.44Å; S65-L67 VanDerWaalsContact C-N 3.28Å; S65-L67 PolarHBondContact O-N 3.46Å; L67-D71 HydrophobicContact CD2-CB 3.48Å; L67-D71 VanDerWaalsContact CD2-CB 3.48Å; L67-V95 HydrophobicContact CB-CG1 4.23Å; L67-V95 HydrophobicContact CB-CG2 4Å; L67-V95 HydrophobicContact CD1-CG2 4.13Å
68	T	93.4	Very high	95.5	Very high	63 Å²	63	44 Å²	44	39%	0.387	25%	0.247	S	C	.	.			trans	-114.9	172.1	170.3	68.5	0	0	0	0	110.6	E70 D71 V95	T68-E70 PolarHBondContact O-N 3.05Å; T68-E70 VanDerWaalsContact O-N 3.14Å; T68-D71 PolarHBondContact N-OD2 2.8Å; T68-D71 WeakPolarHBondContact O-CA 3.39Å; T68-D71 WeakPolarHBondContact O-CB 3.08Å; T68-D71 PolarHBondContact O-N 2.84Å; T68-V95 WeakPolarHBondContact O-CB 3Å; T68-V95 WeakPolarHBondContact O-CG1 3.39Å
69	S	93.4	Very high	95.3	Very high	66 Å²	66	45.1 Å²	45.1	46%	0.462	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-55.3	-30.8	176.2	56.7	0	0	0	0	113.2	D71 S72 V95	S69-D71 PolarHBondContact O-N 2.87Å; S69-S72 VanDerWaalsContact O-CB 3.29Å; S69-S72 WeakPolarHBondContact O-CB 3.29Å; S69-S72 PolarHBondContact O-N 2.87Å; S69-S72 VanDerWaalsContact O-N 3.13Å; S69-S72 PolarHBondContact O-OG 2.86Å; S69-V95 WeakPolarHBondContact CA-O 3.24Å
70	E	90.1	Very high	94.7	Very high	133 Å²	133	45.1 Å²	45.1	62%	0.621	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-67.6	-14.5	174.5	-58.8	-172.6	173.4	0	0	114	K19 R21 T68 S72	K19-E70 PolarHBondContact NZ-O 2.86Å; R21-E70 VanDerWaalsContact CZ-O 3.22Å; R21-E70 PolarHBondContact NE-O 2.82Å; R21-E70 PolarHBondContact NH2-O 3.48Å; T68-E70 PolarHBondContact O-N 3.05Å; T68-E70 VanDerWaalsContact O-N 3.14Å; E70-S72 VanDerWaalsContact C-N 3.3Å
71	D	92.9	Very high	93.5	Very high	6 Å²	6	50.7 Å²	50.7	3%	0.032	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-86.7	-1.7	175.1	-68.2	-45.3	0	0	0	113.3	K19 K48 L67 T68 S69 A73 Y75	K19-D71 IonicContact NZ-OD1 3.65Å; K19-D71 PolarHBondContact NZ-OD1 2.92Å; K48-D71 IonicContact NZ-OD1 3.85Å; K48-D71 IonicContact NZ-OD2 2.99Å; K48-D71 PolarHBondContact NZ-OD2 3.24Å; L67-D71 HydrophobicContact CD2-CB 3.48Å; L67-D71 VanDerWaalsContact CD2-CB 3.48Å; T68-D71 PolarHBondContact N-OD2 2.8Å; T68-D71 WeakPolarHBondContact O-CA 3.39Å; T68-D71 WeakPolarHBondContact O-CB 3.08Å; T68-D71 PolarHBondContact O-N 2.84Å; S69-D71 PolarHBondContact O-N 2.87Å; D71-A73 PolarHBondContact O-N 2.88Å; D71-Y75 WeakPolarHBondContact O-CE2 3.4Å; D71-Y75 PolarHBondContact O-OH 3.11Å
72	S	95.8	Very high	92	Very high	33 Å²	33	49.7 Å²	49.7	23%	0.231	29%	0.294	C	S	.	.			trans	-62.8	118.3	169.1	-58.8	0	0	0	0	111.4	S69 E70 V93 V95	S69-S72 VanDerWaalsContact O-CB 3.29Å; S69-S72 WeakPolarHBondContact O-CB 3.29Å; S69-S72 PolarHBondContact O-N 2.87Å; S69-S72 VanDerWaalsContact O-N 3.13Å; S69-S72 PolarHBondContact O-OG 2.86Å; E70-S72 VanDerWaalsContact C-N 3.3Å; S72-V93 CarbonylContact C-O 3.58Å; S72-V93 VanDerWaalsContact CA-O 3.26Å; S72-V93 WeakPolarHBondContact CA-O 3.42Å; S72-V95 PolarHBondContact OG-N 3.16Å; S72-V95 PolarHBondContact OG-O 2.66Å
73	A	96.9	Very high	90.9	Very high	2 Å²	2	58.5 Å²	58.5	2%	0.017	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.7	168.1	-172.8	0	0	0	0	0	111.2	K19 Q20 R21 D71 Y75 V93	K19-A73 HydrophobicContact CD-CB 4.11Å; K19-A73 HydrophobicContact CG-CB 3.46Å; K19-A73 VanDerWaalsContact CG-CB 3.46Å; Q20-A73 WeakPolarHBondContact O-CA 3.47Å; Q20-A73 VanDerWaalsContact O-CB 3.26Å; Q20-A73 WeakPolarHBondContact O-CB 3.39Å; R21-A73 HydrophobicContact CG-CB 4.15Å; D71-A73 PolarHBondContact O-N 2.88Å; A73-Y75 HydrophobicContact CB-CD2 4.36Å; A73-Y75 HydrophobicContact CB-CE2 3.83Å; A73-Y75 WeakPolarHBondContact O-CD2 3.45Å; A73-V93 PolarHBondContact N-O 2.9Å; A73-V93 PolarHBondContact O-N 2.86Å
74	V	98.1	Very high	90.1	Very high	43 Å²	43	54.4 Å²	54.4	26%	0.261	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	128.4	162.3	-172	0	0	0	0	108.5	Q20 F76 T91 L92	Q20-V74 PolarHBondContact N-O 3.08Å; Q20-V74 PolarHBondContact O-N 3.19Å; V74-F76 HydrophobicContact CB-CE2 3.79Å; V74-F76 HydrophobicContact CB-CZ 3.97Å; V74-F76 HydrophobicContact CG1-CD2 4.22Å; V74-F76 HydrophobicContact CG1-CE1 3.89Å; V74-F76 HydrophobicContact CG1-CE2 3.52Å; V74-F76 HydrophobicContact CG1-CZ 3.33Å; V74-T91 WeakPolarHBondContact CA-O 3.5Å; V74-L92 HydrophobicContact CG2-CD1 4.09Å
75	Y	97.9	Very high	89.4	Confident	4 Å²	4	56.1 Å²	56.1	2%	0.016	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	128.4	178.5	-69.5	-93.6	0	0	0	109.9	I1 V18 K19 I29 M62 L64 D71 A73 G90 T91 V93	I1-Y75 HydrophobicContact CD1-CD1 4.23Å; I1-Y75 HydrophobicContact CD1-CD2 4.06Å; I1-Y75 HydrophobicContact CD1-CG 3.68Å; V18-Y75 CarbonylContact O-C 3.44Å; V18-Y75 WeakPolarHBondContact O-CA 3.49Å; K19-Y75 HydrophobicContact CB-CD1 4.19Å; K19-Y75 HydrophobicContact CB-CE1 4Å; K19-Y75 HydrophobicContact CD-CE1 3.97Å; K19-Y75 WeakPolarHBondContact CE-OH 3.36Å; K19-Y75 HydrophobicContact CG-CD1 4.3Å; K19-Y75 HydrophobicContact CG-CE1 3.8Å; I29-Y75 HydrophobicContact CD1-CD1 3.7Å; I29-Y75 HydrophobicContact CD1-CE1 3.83Å; M62-Y75 HydrophobicContact CE-CD1 3.55Å; M62-Y75 HydrophobicContact CE-CE1 4.21Å; M62-Y75 HydrophobicContact CE-CG 4.22Å; L64-Y75 HydrophobicContact CD1-CD1 4.27Å; L64-Y75 HydrophobicContact CD1-CE1 3.7Å; L64-Y75 HydrophobicContact CD1-CE2 4.33Å; D71-Y75 WeakPolarHBondContact O-CE2 3.4Å; D71-Y75 PolarHBondContact O-OH 3.11Å; A73-Y75 HydrophobicContact CB-CD2 4.36Å; A73-Y75 HydrophobicContact CB-CE2 3.83Å; A73-Y75 WeakPolarHBondContact O-CD2 3.45Å; Y75-G90 CarbonylContact O-C 3.5Å; Y75-G90 WeakPolarHBondContact O-CA 3.03Å; Y75-T91 PolarHBondContact N-O 2.72Å; Y75-T91 PolarHBondContact O-N 2.81Å; Y75-V93 HydrophobicContact CD2-CB 3.87Å; Y75-V93 HydrophobicContact CD2-CG2 3.71Å; Y75-V93 HydrophobicContact CE2-CB 3.78Å; Y75-V93 HydrophobicContact CE2-CG1 4.5Å; Y75-V93 HydrophobicContact CE2-CG2 4.07Å
76	F	97.8	Very high	89.3	Confident	31 Å²	31	60.5 Å²	60.5	14%	0.136	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	146.4	-178.3	-59	-90	0	0	0	110.4	W17 V18 Q20 V74 W87	W17-F76 WeakPolarHBondContact CA-O 3.28Å; V18-F76 PolarHBondContact N-O 2.78Å; V18-F76 PolarHBondContact O-N 2.95Å; Q20-F76 HydrophobicContact CB-CD2 4.47Å; Q20-F76 HydrophobicContact CB-CE2 3.81Å; V74-F76 HydrophobicContact CB-CE2 3.79Å; V74-F76 HydrophobicContact CB-CZ 3.97Å; V74-F76 HydrophobicContact CG1-CD2 4.22Å; V74-F76 HydrophobicContact CG1-CE1 3.89Å; V74-F76 HydrophobicContact CG1-CE2 3.52Å; V74-F76 HydrophobicContact CG1-CZ 3.33Å; F76-W87 HydrophobicContact CB-CE3 3.69Å; F76-W87 HydrophobicContact CB-CZ3 3.8Å; F76-W87 HydrophobicContact CD1-CE3 4.41Å; F76-W87 HydrophobicContact CG-CE3 4.1Å; F76-W87 HydrophobicContact CG-CZ3 4.24Å
77	C	96.9	Very high	89.4	Confident	14 Å²	14	60.3 Å²	60.3	10%	0.095	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	148.5	158.9	60.8	0	0	0	0	109.6	C3 M15 N16 W17 G88	C3-C77 HydrophobicContact CB-CB 3.41Å; C3-C77 VanDerWaalsContact CB-CB 3.41Å; C3-C77 WeakPolarHBondContact CB-SG 3.28Å; C3-C77 WeakPolarHBondContact SG-CB 3.26Å; C3-C77 CovalentContact SG-SG 2.03Å; C3-C77 PolarHBondContact SG-SG 2.86Å; M15-C77 HydrophobicContact SD-CB 3.82Å; N16-C77 CarbonylContact O-C 3.45Å; N16-C77 VanDerWaalsContact O-CA 3.23Å; N16-C77 WeakPolarHBondContact O-CA 3.43Å; W17-C77 HydrophobicContact CD2-CB 4.48Å; W17-C77 HydrophobicContact CE3-CB 4.13Å; W17-C77 HydrophobicContact CH2-CB 4.23Å; W17-C77 HydrophobicContact CZ3-CB 4Å; C77-G88 PolarHBondContact O-N 2.85Å
78	A	95.8	Very high	89.6	Confident	2 Å²	2	58.6 Å²	58.6	2%	0.017	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	143.2	178.2	0	0	0	0	0	112.6	N16 L84 Y86 W87	N16-A78 WeakPolarHBondContact CB-O 3.17Å; N16-A78 PolarHBondContact N-O 3.07Å; N16-A78 PolarHBondContact ND2-O 3.13Å; N16-A78 PolarHBondContact O-N 3.14Å; A78-L84 HydrophobicContact CB-CB 4.05Å; A78-L84 HydrophobicContact CB-CD1 4.05Å; A78-L84 HydrophobicContact CB-CD2 3.89Å; A78-L84 HydrophobicContact CB-CG 4.21Å; A78-Y86 CarbonylContact C-O 3.59Å; A78-Y86 WeakPolarHBondContact CA-O 3.38Å; A78-Y86 WeakPolarHBondContact CB-O 3.32Å; A78-W87 HydrophobicContact CB-CD2 3.74Å; A78-W87 HydrophobicContact CB-CE3 3.9Å; A78-W87 HydrophobicContact CB-CG 4.16Å; A78-W87 HydrophobicContact CB-CH2 4.49Å; A78-W87 HydrophobicContact CB-CZ2 4.36Å; A78-W87 HydrophobicContact CB-CZ3 4.28Å
79	R	93.2	Very high	89.7	Confident	61 Å²	61	64.7 Å²	64.7	23%	0.23	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	133	178.1	-170.2	-173.1	84.5	-177.8	8	110.9	Y8 A85 Y86	Y8-R79 HydrophobicContact CE2-CG 4.12Å; R79-A85 PolarHBondContact O-N 3.09Å; R79-Y86 PolarHBondContact N-O 3.16Å
80	G	85	Confident	89.9	Confident	13 Å²	13	62.8 Å²	62.8	13%	0.134	34%	0.339	C	S	.	.			trans	154.6	155	167.1	0	0	0	0	0	115.3	W14 N16	W14-G80 WeakPolarHBondContact CB-O 3.45Å; W14-G80 PolarHBondContact O-N 3.24Å; W14-G80 VanDerWaalsContact O-N 3.16Å; N16-G80 PolarHBondContact ND2-O 3.09Å
81	D	72	Confident	90.2	Very high	117 Å²	117	59.8 Å²	59.8	63%	0.626	33%	0.33	S	S	*	.	S	Bend	trans	-106.6	64.2	176.4	-160.8	10.6	0	0	0	111	W14 R31	W14-D81 VanDerWaalsContact CD1-OD1 3.3Å; W14-D81 PolarHBondContact NE1-OD1 3.37Å; R31-D81 IonicContact CZ-OD1 3.77Å; R31-D81 IonicContact NH1-OD1 2.8Å; R31-D81 PolarHBondContact NH1-OD1 3Å; R31-D81 IonicContact NH2-OD1 3.96Å
82	G	67.9	Low	90.4	Very high	64 Å²	64	65.1 Å²	65.1	66%	0.66	36%	0.358	S	S	*	.	S	Bend	trans	117.7	-34.4	-179.8	0	0	0	0	0	114.3
83	F	73.8	Confident	90.4	Very high	186 Å²	186	65.1 Å²	65.1	82%	0.816	36%	0.357	S	S	*	.	S	Bend	trans	-118.3	117.5	170.8	-64	-81	0	0	0	110.2	A85	F83-A85 VanDerWaalsContact C-N 3.31Å; F83-A85 PolarHBondContact O-N 3.14Å
84	L	80.4	Confident	90.4	Very high	49 Å²	49	70.1 Å²	70.1	26%	0.257	39%	0.387	S	S	.	.			trans	-78.9	80.7	179.5	-60.6	-177.7	0	0	0	109.9	N16 V18 A78 W87	N16-L84 HydrophobicContact CB-CD2 3.65Å; N16-L84 VanDerWaalsContact ND2-CD2 3.27Å; N16-L84 WeakPolarHBondContact ND2-CD2 3.47Å; V18-L84 HydrophobicContact CG2-CD1 3.97Å; A78-L84 HydrophobicContact CB-CB 4.05Å; A78-L84 HydrophobicContact CB-CD1 4.05Å; A78-L84 HydrophobicContact CB-CD2 3.89Å; A78-L84 HydrophobicContact CB-CG 4.21Å; L84-W87 HydrophobicContact CB-CZ2 3.57Å; L84-W87 HydrophobicContact CD1-CH2 3.56Å; L84-W87 HydrophobicContact CD1-CZ2 3.33Å; L84-W87 HydrophobicContact CG-CZ2 4.08Å; L84-W87 PolarHBondContact O-NE1 3.29Å
85	A	80.4	Confident	90.2	Very high	72 Å²	72	69.4 Å²	69.4	60%	0.595	38%	0.383	S	S	*	.			trans	-76.6	-25.5	-174.3	0	0	0	0	0	113.4	R79 F83	R79-A85 PolarHBondContact O-N 3.09Å; F83-A85 VanDerWaalsContact C-N 3.31Å; F83-A85 PolarHBondContact O-N 3.14Å
86	Y	90.3	Very high	89.9	Confident	140 Å²	140	74.3 Å²	74.3	55%	0.549	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	129.2	-176.9	-57.6	-89.4	0	0	0	110.4	A78 R79	A78-Y86 CarbonylContact C-O 3.59Å; A78-Y86 WeakPolarHBondContact CA-O 3.38Å; A78-Y86 WeakPolarHBondContact CB-O 3.32Å; R79-Y86 PolarHBondContact N-O 3.16Å
87	W	94.7	Very high	89	Confident	104 Å²	104	80.3 Å²	80.3	39%	0.394	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	141.8	-176.7	-68.6	75.8	0	0	0	110.6	V18 L26 F76 A78 L84	V18-W87 HydrophobicContact CB-CH2 4.06Å; V18-W87 HydrophobicContact CB-CZ3 3.8Å; V18-W87 HydrophobicContact CG1-CH2 4.02Å; V18-W87 HydrophobicContact CG1-CZ3 4.03Å; V18-W87 HydrophobicContact CG2-CH2 3.75Å; V18-W87 HydrophobicContact CG2-CZ3 3.84Å; L26-W87 HydrophobicContact CD1-CH2 3.9Å; L26-W87 HydrophobicContact CD1-CZ2 4.4Å; F76-W87 HydrophobicContact CB-CE3 3.69Å; F76-W87 HydrophobicContact CB-CZ3 3.8Å; F76-W87 HydrophobicContact CD1-CE3 4.41Å; F76-W87 HydrophobicContact CG-CE3 4.1Å; F76-W87 HydrophobicContact CG-CZ3 4.24Å; A78-W87 HydrophobicContact CB-CD2 3.74Å; A78-W87 HydrophobicContact CB-CE3 3.9Å; A78-W87 HydrophobicContact CB-CG 4.16Å; A78-W87 HydrophobicContact CB-CH2 4.49Å; A78-W87 HydrophobicContact CB-CZ2 4.36Å; A78-W87 HydrophobicContact CB-CZ3 4.28Å; L84-W87 HydrophobicContact CB-CZ2 3.57Å; L84-W87 HydrophobicContact CD1-CH2 3.56Å; L84-W87 HydrophobicContact CD1-CZ2 3.33Å; L84-W87 HydrophobicContact CG-CZ2 4.08Å; L84-W87 PolarHBondContact O-NE1 3.29Å
88	G	95.3	Very high	88.6	Confident	27 Å²	27	83.6 Å²	83.6	28%	0.278	49%	0.492	S	S	.	.			trans	-71.2	165	163	0	0	0	0	0	111.2	C77 G90	C77-G88 PolarHBondContact O-N 2.85Å; G88-G90 PolarHBondContact O-N 2.62Å; G88-G90 VanDerWaalsContact O-N 3.1Å
89	Q	95.5	Very high	88.3	Confident	191 Å²	191	87.9 Å²	87.9	89%	0.893	52%	0.517	S	S	*	.			trans	-64	-15.4	179.5	-66.7	-64	-28.7	0	0	113.9
90	G	96.4	Very high	88	Confident	26 Å²	26	89.4 Å²	89.4	27%	0.268	53%	0.533	S	S	.	.			trans	85.2	162.4	-174.7	0	0	0	0	0	112.7	Y75 G88	Y75-G90 CarbonylContact O-C 3.5Å; Y75-G90 WeakPolarHBondContact O-CA 3.03Å; G88-G90 PolarHBondContact O-N 2.62Å; G88-G90 VanDerWaalsContact O-N 3.1Å
91	T	97.4	Very high	88.2	Confident	71 Å²	71	93.9 Å²	93.9	44%	0.436	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-136.9	121.3	176.6	-62.3	0	0	0	0	108.5	V74 Y75 V93	V74-T91 WeakPolarHBondContact CA-O 3.5Å; Y75-T91 PolarHBondContact N-O 2.72Å; Y75-T91 PolarHBondContact O-N 2.81Å; T91-V93 PolarHBondContact O-N 3.46Å
92	L	97.1	Very high	89.2	Confident	118 Å²	118	92.4 Å²	92.4	62%	0.618	55%	0.552	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-71.4	124.2	172.6	179.4	63.4	0	0	0	109.1	V74	V74-L92 HydrophobicContact CG2-CD1 4.09Å
93	V	96.1	Very high	90.6	Very high	33 Å²	33	94.3 Å²	94.3	20%	0.2	55%	0.545	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	125.5	168.5	178.3	0	0	0	0	107.1	I1 S72 A73 Y75 T91 V95	I1-V93 HydrophobicContact CD1-CG2 3.9Å; S72-V93 CarbonylContact C-O 3.58Å; S72-V93 VanDerWaalsContact CA-O 3.26Å; S72-V93 WeakPolarHBondContact CA-O 3.42Å; A73-V93 PolarHBondContact N-O 2.9Å; A73-V93 PolarHBondContact O-N 2.86Å; Y75-V93 HydrophobicContact CD2-CB 3.87Å; Y75-V93 HydrophobicContact CD2-CG2 3.71Å; Y75-V93 HydrophobicContact CE2-CB 3.78Å; Y75-V93 HydrophobicContact CE2-CG1 4.5Å; Y75-V93 HydrophobicContact CE2-CG2 4.07Å; T91-V93 PolarHBondContact O-N 3.46Å; V93-V95 HydrophobicContact CG1-CG2 4.28Å
94	T	96	Very high	91.8	Very high	107 Å²	107	87.8 Å²	87.8	66%	0.656	53%	0.525	S	S	*	.			trans	-115.1	130.1	176.8	-55.6	0	0	0	0	108.6
95	V	94.4	Very high	92.7	Very high	28 Å²	28	90.8 Å²	90.8	17%	0.17	55%	0.546	C	S	.	.			trans	-120.2	115.3	178.3	-173.1	0	0	0	0	106.9	L67 T68 S69 S72 V93	L67-V95 HydrophobicContact CB-CG1 4.23Å; L67-V95 HydrophobicContact CB-CG2 4Å; L67-V95 HydrophobicContact CD1-CG2 4.13Å; T68-V95 WeakPolarHBondContact O-CB 3Å; T68-V95 WeakPolarHBondContact O-CG1 3.39Å; S69-V95 WeakPolarHBondContact CA-O 3.24Å; S72-V95 PolarHBondContact OG-N 3.16Å; S72-V95 PolarHBondContact OG-O 2.66Å; V93-V95 HydrophobicContact CG1-CG2 4.28Å
96	S	91.6	Very high	93.7	Very high	106 Å²	106	92.3 Å²	92.3	74%	0.741	54%	0.542	S	S	*	.			trans	-80.1	156	173.8	54.7	0	0	0	0	110.8
97	A	79.5	Confident	94	Very high	157 Å²	157	88 Å²	88	100%	1.298	54%	0.541	S	S	*	.			trans	-71.6	0	171.8	0	0	0	0	0	111.8

Retrieved 97 of 97 residues in 21.7 ms (Link to these results)

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