FABPH_ICTTR Loading...

Fatty acid-binding protein, heart

FABPs are thought to play a role in the intracellular transport of long-chain fatty acids and their acyl-CoA esters. FABPs are important elements related to the hibernating state in mammals.

AlphaFold DB , UniProt , Accession Q99P61, Species ICTTR (Ictidomys tridecemlineatus, Thirteen-lined ground squirrel), Gene FABP3, Length 133 aa.

						>FABPH_ICTTR|Q99P61|FABP3
MVDAFVGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDTIILKTQSTFKNTEISFQLGKEFDETTADDRKVKSTVTLDGGKLVHVQKWDGQETTLVRELNDGKLILTLTHGSVVCTRTYEKEA
					

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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	M	81.5	Confident	95.1	Very high	173 Å²	173	48.4 Å²	48.4	85%	0.852	27%	0.272	S	S	*	.				0	147.5	0	-73	-177.7	-86	0	0	108.5	D3	M1-D3 PolarHBondContact O-N 3.28Å
2	V	92.1	Very high	95.2	Very high	8 Å²	8	49.4 Å²	49.4	5%	0.048	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-63.8	-21.3	-177.5	71.5	0	0	0	0	112.7	A4 F5 K45 I50 L67 L92	V2-A4 PolarHBondContact O-N 3.01Å; V2-A4 VanDerWaalsContact O-N 3.1Å; V2-F5 WeakPolarHBondContact O-CB 3.42Å; V2-F5 PolarHBondContact O-N 2.92Å; V2-K45 HydrophobicContact CG1-CD 3.8Å; V2-I50 HydrophobicContact CB-CD1 4.39Å; V2-I50 HydrophobicContact CG1-CD1 4.22Å; V2-I50 HydrophobicContact CG1-CG1 4.39Å; V2-I50 HydrophobicContact CG2-CD1 3.83Å; V2-I50 HydrophobicContact CG2-CG1 4.25Å; V2-L67 HydrophobicContact CB-CD1 4.48Å; V2-L92 HydrophobicContact CG2-CD1 4.15Å
3	D	93.9	Very high	95.4	Very high	78 Å²	78	50.6 Å²	50.6	42%	0.417	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-56.4	-28.9	-178.3	-54.2	-82.7	0	0	0	113.5	M1 F5 V6 K45	M1-D3 PolarHBondContact O-N 3.28Å; D3-F5 PolarHBondContact O-N 3.16Å; D3-V6 WeakPolarHBondContact O-CB 3.3Å; D3-V6 PolarHBondContact O-N 3.1Å; D3-K45 VanDerWaalsContact CG-NZ 3.27Å; D3-K45 VanDerWaalsContact OD1-CD 3.25Å; D3-K45 WeakPolarHBondContact OD1-CD 3.38Å; D3-K45 IonicContact OD1-NZ 3.96Å; D3-K45 PolarHBondContact OD1-NZ 2.72Å; D3-K45 IonicContact OD2-NZ 3.74Å; D3-K45 PolarHBondContact OD2-NZ 2.88Å
4	A	93.8	Very high	95.6	Very high	57 Å²	57	50.3 Å²	50.3	47%	0.471	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-65.9	-26.6	175.7	0	0	0	0	0	113.1	V2 L109	V2-A4 PolarHBondContact O-N 3.01Å; V2-A4 VanDerWaalsContact O-N 3.1Å; A4-L109 HydrophobicContact CB-CD1 3.53Å; A4-L109 WeakPolarHBondContact O-CD1 3.39Å
5	F	97	Very high	95.8	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.018	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-84.4	-15.8	177.6	-64.2	-89.8	0	0	0	112.7	V2 D3 G7 W9 I43 L87 G90 L92 R107 L109 L114	V2-F5 WeakPolarHBondContact O-CB 3.42Å; V2-F5 PolarHBondContact O-N 2.92Å; D3-F5 PolarHBondContact O-N 3.16Å; F5-G7 PolarHBondContact O-N 2.7Å; F5-W9 PolarHBondContact O-NE1 3.33Å; F5-I43 HydrophobicContact CB-CD1 4.1Å; F5-L87 HydrophobicContact CE2-CD1 4.2Å; F5-G90 WeakPolarHBondContact CZ-O 3.49Å; F5-L92 HydrophobicContact CE1-CB 4.28Å; F5-L92 HydrophobicContact CE2-CB 4.26Å; F5-L92 HydrophobicContact CZ-CB 4.13Å; F5-R107 HydrophobicContact CD1-CB 4.36Å; F5-R107 HydrophobicContact CE1-CB 3.96Å; F5-R107 WeakPolarHBondContact CE1-O 3.48Å; F5-L109 HydrophobicContact CD1-CD1 4.35Å; F5-L109 HydrophobicContact CD1-CD2 4.16Å; F5-L109 HydrophobicContact CD1-CG 4.03Å; F5-L109 HydrophobicContact CE1-CD1 4.36Å; F5-L109 HydrophobicContact CE1-CD2 4.24Å; F5-L109 HydrophobicContact CE1-CG 3.77Å; F5-L109 HydrophobicContact CG-CD1 4.45Å; F5-L109 HydrophobicContact CZ-CD1 4.45Å; F5-L109 HydrophobicContact CZ-CG 4.13Å; F5-L114 HydrophobicContact CD1-CD1 4.05Å
6	V	97.3	Very high	95.9	Very high	47 Å²	47	57.8 Å²	57.8	29%	0.285	32%	0.318	S	S	.	.			trans	-64.5	133.7	-178.4	172.8	0	0	0	0	110.4	D3 I43 K45 K131	D3-V6 WeakPolarHBondContact O-CB 3.3Å; D3-V6 PolarHBondContact O-N 3.1Å; V6-I43 WeakPolarHBondContact CA-O 3.41Å; V6-I43 WeakPolarHBondContact CG1-O 3.41Å; V6-K45 HydrophobicContact CG2-CB 3.93Å; V6-K131 PolarHBondContact O-NZ 2.95Å
7	G	97.4	Very high	96	Very high	19 Å²	19	56.6 Å²	56.6	20%	0.196	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	137.9	-174.1	-179.4	0	0	0	0	0	112.9	F5 I42 I43	F5-G7 PolarHBondContact O-N 2.7Å; G7-I42 WeakPolarHBondContact O-CA 3.43Å; G7-I43 PolarHBondContact N-O 3Å; G7-I43 PolarHBondContact O-N 3.42Å
8	T	98.3	Very high	96.1	Very high	36 Å²	36	56.8 Å²	56.8	22%	0.221	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	133.3	177.7	-57.2	0	0	0	0	109.8	T40 I42 K131 E132	T8-T40 HydrophobicContact CG2-CG2 3.29Å; T8-I42 HydrophobicContact CG2-CG1 3.97Å; T8-K131 CarbonylContact O-C 3.48Å; T8-K131 WeakPolarHBondContact O-CA 3.5Å; T8-E132 HydrophobicContact CG2-CB 4.02Å; T8-E132 WeakPolarHBondContact CG2-OE2 3.41Å; T8-E132 PolarHBondContact O-N 2.92Å
9	W	98.5	Very high	96.2	Very high	5 Å²	5	57.7 Å²	57.7	2%	0.019	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	126.8	-171.8	-62	93.6	0	0	0	109.8	F5 T40 T41 L109 L114 Y129 E130 K131	F5-W9 PolarHBondContact O-NE1 3.33Å; W9-T40 CarbonylContact O-C 3.58Å; W9-T40 WeakPolarHBondContact O-CA 3.34Å; W9-T41 WeakPolarHBondContact CB-O 3.13Å; W9-T41 PolarHBondContact N-O 3.32Å; W9-T41 PolarHBondContact O-N 2.82Å; W9-L109 HydrophobicContact CH2-CD2 3.55Å; W9-L109 HydrophobicContact CZ2-CD2 3.91Å; W9-L109 HydrophobicContact CZ3-CD2 4.3Å; W9-L114 HydrophobicContact CD2-CB 3.79Å; W9-L114 HydrophobicContact CD2-CD1 3.84Å; W9-L114 HydrophobicContact CD2-CG 4.47Å; W9-L114 HydrophobicContact CE3-CB 3.48Å; W9-L114 VanDerWaalsContact CE3-CB 3.48Å; W9-L114 HydrophobicContact CE3-CD1 4.41Å; W9-L114 HydrophobicContact CG-CB 4.48Å; W9-L114 HydrophobicContact CG-CD1 4Å; W9-L114 HydrophobicContact CH2-CB 4.13Å; W9-L114 HydrophobicContact CZ2-CB 4.39Å; W9-L114 HydrophobicContact CZ2-CD1 4.29Å; W9-L114 HydrophobicContact CZ3-CB 3.66Å; W9-Y129 HydrophobicContact CB-CD1 4.12Å; W9-Y129 HydrophobicContact CB-CG 4.39Å; W9-E130 CarbonylContact C-O 3.6Å; W9-E130 WeakPolarHBondContact CA-O 3.49Å; W9-K131 HydrophobicContact CD2-CB 4.49Å; W9-K131 HydrophobicContact CE3-CB 3.92Å; W9-K131 HydrophobicContact CE3-CG 4.44Å; W9-K131 HydrophobicContact CH2-CB 4.08Å; W9-K131 HydrophobicContact CH2-CD 4.1Å; W9-K131 HydrophobicContact CH2-CG 4.28Å; W9-K131 HydrophobicContact CZ2-CD 4.18Å; W9-K131 HydrophobicContact CZ2-CG 4.39Å; W9-K131 HydrophobicContact CZ3-CB 3.69Å; W9-K131 HydrophobicContact CZ3-CG 4.31Å
10	K	98	Very high	96.3	Very high	92 Å²	92	55.4 Å²	55.4	40%	0.4	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	134.2	178.6	-69.4	-175.4	177.2	170	0	111.2	V12 T40 Y129 E130 E132	K10-V12 PolarHBondContact O-N 3.19Å; K10-T40 HydrophobicContact CG-CG2 4.48Å; K10-Y129 VanDerWaalsContact C-CD1 3.41Å; K10-Y129 CarbonylContact O-C 3.56Å; K10-Y129 WeakPolarHBondContact O-CA 3.34Å; K10-E130 PolarHBondContact N-O 3.07Å; K10-E130 PolarHBondContact O-N 3.18Å; K10-E132 VanDerWaalsContact CE-CD 3.49Å; K10-E132 WeakPolarHBondContact CE-OE1 3.23Å; K10-E132 IonicContact NZ-OE1 3.72Å; K10-E132 PolarHBondContact NZ-OE1 2.71Å
11	L	97.9	Very high	96.4	Very high	13 Å²	13	53.3 Å²	53.3	7%	0.068	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	127	175.1	-174	84	0	0	0	110.7	D13 K38 P39 R127 Y129	L11-D13 WeakPolarHBondContact CD1-O 3.37Å; L11-K38 HydrophobicContact CB-CB 4.41Å; L11-K38 HydrophobicContact CD2-CG 4.44Å; L11-P39 HydrophobicContact CB-CG 4.44Å; L11-P39 PolarHBondContact N-O 2.9Å; L11-P39 VanDerWaalsContact N-O 3.14Å; L11-R127 HydrophobicContact CD1-CB 3.78Å; L11-R127 HydrophobicContact CD1-CG 4.26Å; L11-R127 VanDerWaalsContact CD1-CZ 3.5Å; L11-Y129 HydrophobicContact CB-CD1 4.08Å; L11-Y129 HydrophobicContact CB-CE1 3.76Å; L11-Y129 HydrophobicContact CD1-CD2 3.96Å; L11-Y129 HydrophobicContact CD1-CE1 4.08Å; L11-Y129 HydrophobicContact CD1-CE2 3.46Å; L11-Y129 VanDerWaalsContact CD1-CE2 3.46Å; L11-Y129 HydrophobicContact CD1-CG 4.44Å
12	V	97.2	Very high	97.2	Very high	61 Å²	61	51.1 Å²	51.1	37%	0.37	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	-26.9	176.2	-63.7	0	0	0	0	113.8	K10 T128 E130	K10-V12 PolarHBondContact O-N 3.19Å; V12-T128 HydrophobicContact CG2-CG2 3.98Å; V12-T128 WeakPolarHBondContact CG2-O 3.25Å; V12-T128 PolarHBondContact N-O 3.37Å; V12-E130 HydrophobicContact CG1-CB 3.99Å; V12-E130 HydrophobicContact CG1-CG 3.97Å; V12-E130 HydrophobicContact CG2-CG 3.85Å
13	D	97.8	Very high	97.5	Very high	65 Å²	65	52.7 Å²	52.7	35%	0.348	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	150	178.9	-178.7	55.6	0	0	0	111.3	L11 K15 R127 T128	L11-D13 WeakPolarHBondContact CD1-O 3.37Å; D13-K15 VanDerWaalsContact OD2-CE 3.3Å; D13-K15 WeakPolarHBondContact OD2-CE 3.34Å; D13-K15 IonicContact OD2-NZ 2.72Å; D13-R127 WeakPolarHBondContact O-CA 3.47Å; D13-T128 PolarHBondContact N-O 2.82Å; D13-T128 PolarHBondContact O-N 3.04Å
14	S	97.9	Very high	97.7	Very high	46 Å²	46	50.1 Å²	50.1	32%	0.322	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	126.3	-179.7	178.3	0	0	0	0	111.7	F17 R127	S14-F17 WeakPolarHBondContact OG-CB 3.3Å; S14-R127 PolarHBondContact OG-NH1 2.81Å
15	K	98.2	Very high	97.8	Very high	126 Å²	126	50.5 Å²	50.5	55%	0.548	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	135.1	-179.1	-61.4	176.3	-176.3	170.3	0	110.3	D13 F17 C125 T126	D13-K15 VanDerWaalsContact OD2-CE 3.3Å; D13-K15 WeakPolarHBondContact OD2-CE 3.34Å; D13-K15 IonicContact OD2-NZ 2.72Å; K15-F17 VanDerWaalsContact C-N 3.26Å; K15-F17 PolarHBondContact O-N 3.27Å; K15-C125 WeakPolarHBondContact O-CA 3.33Å; K15-C125 PolarHBondContact O-SG 2.81Å; K15-T126 PolarHBondContact N-O 3.46Å; K15-T126 PolarHBondContact O-N 2.88Å; K15-T126 VanDerWaalsContact O-N 3.1Å
16	N	97.8	Very high	97.8	Very high	95 Å²	95	51.1 Å²	51.1	51%	0.508	29%	0.286	S	S	.	.	S	Bend	trans	59.2	23.1	178.6	-63.7	7.3	0	0	0	116.3	D19 Y20 V124 C125	N16-D19 PolarHBondContact O-N 2.83Å; N16-Y20 PolarHBondContact O-N 3.34Å; N16-Y20 VanDerWaalsContact O-N 3.09Å; N16-V124 WeakPolarHBondContact CB-O 3.17Å; N16-V124 PolarHBondContact ND2-O 2.82Å; N16-C125 HydrophobicContact CB-CB 4.44Å
17	F	97.9	Very high	97.8	Very high	37 Å²	37	51 Å²	51	16%	0.162	29%	0.294	C	S	.	.	H	α-helix	trans	-69.5	-33.7	-179	-171	-130.6	0	0	0	113.4	S14 K15 Y20 M21 A34 L118 C125	S14-F17 WeakPolarHBondContact OG-CB 3.3Å; K15-F17 VanDerWaalsContact C-N 3.26Å; K15-F17 PolarHBondContact O-N 3.27Å; F17-Y20 HydrophobicContact CD2-CD1 4.19Å; F17-Y20 HydrophobicContact CE2-CD1 4.11Å; F17-Y20 PolarHBondContact O-N 2.92Å; F17-M21 HydrophobicContact CD1-CE 3.58Å; F17-M21 HydrophobicContact CD1-SD 4.11Å; F17-M21 HydrophobicContact CD2-CG 4.31Å; F17-M21 HydrophobicContact CE1-CE 3.72Å; F17-M21 HydrophobicContact CE1-CG 4.3Å; F17-M21 HydrophobicContact CE1-SD 3.63Å; F17-M21 HydrophobicContact CE2-CG 3.99Å; F17-M21 HydrophobicContact CE2-SD 4.37Å; F17-M21 HydrophobicContact CG-CE 4.12Å; F17-M21 HydrophobicContact CZ-CE 4.35Å; F17-M21 HydrophobicContact CZ-CG 3.98Å; F17-M21 HydrophobicContact CZ-SD 3.77Å; F17-M21 WeakPolarHBondContact O-CE 3.46Å; F17-M21 WeakPolarHBondContact O-CG 3.43Å; F17-M21 PolarHBondContact O-N 2.88Å; F17-A34 HydrophobicContact CE1-CB 4.29Å; F17-L118 HydrophobicContact CD2-CD1 4.03Å; F17-L118 HydrophobicContact CE2-CD1 3.89Å; F17-C125 VanDerWaalsContact CA-SG 3.6Å
18	D	97.4	Very high	97.7	Very high	60 Å²	60	56.1 Å²	56.1	32%	0.321	31%	0.311	S	S	.	.	H	α-helix	trans	-61.1	-46.1	173.2	-175.8	70.5	0	0	0	111.3	Y20 M21 K22 R31	D18-Y20 PolarHBondContact O-N 2.81Å; D18-M21 PolarHBondContact O-N 2.78Å; D18-K22 VanDerWaalsContact O-CB 3.28Å; D18-K22 WeakPolarHBondContact O-CB 3.48Å; D18-K22 PolarHBondContact O-N 2.81Å; D18-R31 WeakPolarHBondContact O-CD 3.39Å; D18-R31 WeakPolarHBondContact OD1-CB 3.49Å; D18-R31 WeakPolarHBondContact OD1-CD 3.25Å; D18-R31 IonicContact OD1-CZ 2.59Å; D18-R31 IonicContact OD1-NE 2.72Å; D18-R31 PolarHBondContact OD1-NE 2.83Å; D18-R31 IonicContact OD1-NH2 2.75Å; D18-R31 IonicContact OD2-NE 2.84Å
19	D	98.3	Very high	97.6	Very high	74 Å²	74	57.6 Å²	57.6	40%	0.396	33%	0.327	S	S	.	.	H	α-helix	trans	-62.6	-42	178.2	-66.9	-39.7	0	0	0	111.9	N16 K22 S23 V123	N16-D19 PolarHBondContact O-N 2.83Å; D19-K22 PolarHBondContact O-N 3.45Å; D19-S23 WeakPolarHBondContact O-CB 3.44Å; D19-S23 PolarHBondContact O-N 2.94Å; D19-V123 HydrophobicContact CB-CG1 3.84Å
20	Y	98.6	Very high	97.4	Very high	11 Å²	11	60.2 Å²	60.2	4%	0.043	34%	0.344	C	S	.	.	H	α-helix	trans	-60.4	-50.7	176.3	174	-99.2	0	0	0	111	N16 F17 D18 K22 S23 L24 T103 L118 H120 C125	N16-Y20 PolarHBondContact O-N 3.34Å; N16-Y20 VanDerWaalsContact O-N 3.09Å; F17-Y20 HydrophobicContact CD2-CD1 4.19Å; F17-Y20 HydrophobicContact CE2-CD1 4.11Å; F17-Y20 PolarHBondContact O-N 2.92Å; D18-Y20 PolarHBondContact O-N 2.81Å; Y20-K22 VanDerWaalsContact C-N 3.32Å; Y20-K22 PolarHBondContact O-N 2.86Å; Y20-S23 WeakPolarHBondContact O-CB 3.46Å; Y20-S23 PolarHBondContact O-N 2.75Å; Y20-S23 PolarHBondContact O-OG 3.2Å; Y20-L24 HydrophobicContact CD1-CD1 4.1Å; Y20-L24 HydrophobicContact CE1-CD1 3.43Å; Y20-L24 VanDerWaalsContact CE1-CD1 3.43Å; Y20-L24 HydrophobicContact CE1-CG 4.39Å; Y20-L24 HydrophobicContact CE2-CD1 4.39Å; Y20-L24 PolarHBondContact O-N 2.59Å; Y20-T103 WeakPolarHBondContact CE2-OG1 3.33Å; Y20-T103 PolarHBondContact OH-OG1 2.83Å; Y20-L118 HydrophobicContact CD1-CB 4.22Å; Y20-L118 HydrophobicContact CD1-CD1 3.91Å; Y20-L118 HydrophobicContact CD2-CB 3.79Å; Y20-L118 HydrophobicContact CE1-CB 4.09Å; Y20-L118 HydrophobicContact CE1-CD1 3.86Å; Y20-L118 HydrophobicContact CE1-CG 4.47Å; Y20-L118 HydrophobicContact CE2-CB 3.65Å; Y20-L118 HydrophobicContact CG-CB 4.08Å; Y20-L118 HydrophobicContact CG-CD1 4.46Å; Y20-H120 HydrophobicContact CD2-CB 4.08Å; Y20-H120 HydrophobicContact CE2-CB 3.68Å; Y20-C125 HydrophobicContact CG-CB 4.22Å
21	M	98	Very high	97.4	Very high	12 Å²	12	57.1 Å²	57.1	6%	0.059	33%	0.33	C	S	.	.	H	α-helix	trans	-61.3	-40.3	176.8	-72.8	-172.9	-68.4	0	0	112	F17 D18 S23 L24 G25 V26 R31 A34	F17-M21 HydrophobicContact CD1-CE 3.58Å; F17-M21 HydrophobicContact CD1-SD 4.11Å; F17-M21 HydrophobicContact CD2-CG 4.31Å; F17-M21 HydrophobicContact CE1-CE 3.72Å; F17-M21 HydrophobicContact CE1-CG 4.3Å; F17-M21 HydrophobicContact CE1-SD 3.63Å; F17-M21 HydrophobicContact CE2-CG 3.99Å; F17-M21 HydrophobicContact CE2-SD 4.37Å; F17-M21 HydrophobicContact CG-CE 4.12Å; F17-M21 HydrophobicContact CZ-CE 4.35Å; F17-M21 HydrophobicContact CZ-CG 3.98Å; F17-M21 HydrophobicContact CZ-SD 3.77Å; F17-M21 WeakPolarHBondContact O-CE 3.46Å; F17-M21 WeakPolarHBondContact O-CG 3.43Å; F17-M21 PolarHBondContact O-N 2.88Å; D18-M21 PolarHBondContact O-N 2.78Å; M21-S23 VanDerWaalsContact C-N 3.31Å; M21-S23 PolarHBondContact O-N 2.86Å; M21-L24 PolarHBondContact O-N 2.85Å; M21-G25 PolarHBondContact O-N 2.91Å; M21-V26 HydrophobicContact CB-CB 3.99Å; M21-V26 HydrophobicContact CB-CG1 4.43Å; M21-V26 HydrophobicContact CB-CG2 4.12Å; M21-V26 VanDerWaalsContact O-CB 3.25Å; M21-V26 WeakPolarHBondContact O-CB 3.38Å; M21-V26 WeakPolarHBondContact O-CG2 3.34Å; M21-V26 PolarHBondContact O-N 2.83Å; M21-R31 HydrophobicContact CB-CG 3.75Å; M21-R31 HydrophobicContact CE-CB 3.78Å; M21-R31 HydrophobicContact CE-CG 4.09Å; M21-R31 HydrophobicContact SD-CB 4.44Å; M21-R31 HydrophobicContact SD-CG 4.26Å; M21-A34 HydrophobicContact CE-CB 4.05Å; M21-A34 HydrophobicContact SD-CB 3.68Å
22	K	98	Very high	97.2	Very high	128 Å²	128	61.6 Å²	61.6	56%	0.557	35%	0.35	S	S	*	.	H	α-helix	trans	-62	-40.8	176.3	-175.2	-176.4	177.7	-176.3	0	111.2	D18 D19 Y20 L24 G25	D18-K22 VanDerWaalsContact O-CB 3.28Å; D18-K22 WeakPolarHBondContact O-CB 3.48Å; D18-K22 PolarHBondContact O-N 2.81Å; D19-K22 PolarHBondContact O-N 3.45Å; Y20-K22 VanDerWaalsContact C-N 3.32Å; Y20-K22 PolarHBondContact O-N 2.86Å; K22-L24 VanDerWaalsContact C-N 3.26Å; K22-L24 PolarHBondContact O-N 2.88Å; K22-G25 PolarHBondContact O-N 2.89Å
23	S	98	Very high	97.1	Very high	41 Å²	41	61.4 Å²	61.4	29%	0.287	35%	0.349	S	S	.	.	H	α-helix	trans	-63.2	-32.7	177.8	82.6	0	0	0	0	112.4	D19 Y20 M21 G25 H120	D19-S23 WeakPolarHBondContact O-CB 3.44Å; D19-S23 PolarHBondContact O-N 2.94Å; Y20-S23 WeakPolarHBondContact O-CB 3.46Å; Y20-S23 PolarHBondContact O-N 2.75Å; Y20-S23 PolarHBondContact O-OG 3.2Å; M21-S23 VanDerWaalsContact C-N 3.31Å; M21-S23 PolarHBondContact O-N 2.86Å; S23-G25 PolarHBondContact O-N 2.76Å; S23-H120 WeakPolarHBondContact CB-ND1 3.39Å; S23-H120 PolarHBondContact O-CE1 2.86Å; S23-H120 PolarHBondContact O-ND1 2.87Å; S23-H120 PolarHBondContact OG-ND1 2.92Å
24	L	97.9	Very high	97	Very high	23 Å²	23	58.9 Å²	58.9	12%	0.12	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-3.9	174.2	-67.4	174.6	0	0	0	113.4	Y20 M21 K22 V26 W98 H120	Y20-L24 HydrophobicContact CD1-CD1 4.1Å; Y20-L24 HydrophobicContact CE1-CD1 3.43Å; Y20-L24 VanDerWaalsContact CE1-CD1 3.43Å; Y20-L24 HydrophobicContact CE1-CG 4.39Å; Y20-L24 HydrophobicContact CE2-CD1 4.39Å; Y20-L24 PolarHBondContact O-N 2.59Å; M21-L24 PolarHBondContact O-N 2.85Å; K22-L24 VanDerWaalsContact C-N 3.26Å; K22-L24 PolarHBondContact O-N 2.88Å; L24-V26 HydrophobicContact CB-CG2 4.24Å; L24-W98 HydrophobicContact CD2-CH2 3.67Å; L24-W98 HydrophobicContact CD2-CZ2 3.86Å; L24-H120 HydrophobicContact CD2-CB 4.09Å
25	G	96.5	Very high	96.7	Very high	66 Å²	66	59.9 Å²	59.9	68%	0.68	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	11.1	-177.1	0	0	0	0	0	114.6	M21 K22 S23 G27	M21-G25 PolarHBondContact O-N 2.91Å; K22-G25 PolarHBondContact O-N 2.89Å; S23-G25 PolarHBondContact O-N 2.76Å; G25-G27 PolarHBondContact O-N 3.14Å
26	V	97.1	Very high	96.4	Very high	17 Å²	17	60.8 Å²	60.8	10%	0.103	35%	0.352	C	S	.	.			trans	-64.6	129	178.2	-178.8	0	0	0	0	110.2	M21 L24 T30 R31 D77	M21-V26 HydrophobicContact CB-CB 3.99Å; M21-V26 HydrophobicContact CB-CG1 4.43Å; M21-V26 HydrophobicContact CB-CG2 4.12Å; M21-V26 VanDerWaalsContact O-CB 3.25Å; M21-V26 WeakPolarHBondContact O-CB 3.38Å; M21-V26 WeakPolarHBondContact O-CG2 3.34Å; M21-V26 PolarHBondContact O-N 2.83Å; L24-V26 HydrophobicContact CB-CG2 4.24Å; V26-T30 HydrophobicContact CG1-CG2 3.63Å; V26-R31 HydrophobicContact CB-CG 4.03Å; V26-R31 HydrophobicContact CG1-CG 3.74Å; V26-R31 WeakPolarHBondContact O-CD 3.44Å; V26-R31 PolarHBondContact O-NH1 2.87Å; V26-D77 HydrophobicContact CG2-CB 3.84Å
27	G	96.7	Very high	96.2	Very high	43 Å²	43	57.1 Å²	57.1	44%	0.443	33%	0.333	S	S	.	.			trans	-63.5	149.4	-177.6	0	0	0	0	0	114.4	G25 A29 T30 R31	G25-G27 PolarHBondContact O-N 3.14Å; G27-A29 PolarHBondContact O-N 2.76Å; G27-T30 WeakPolarHBondContact O-CB 3.3Å; G27-T30 PolarHBondContact O-N 3.46Å; G27-T30 VanDerWaalsContact O-N 3.15Å; G27-R31 WeakPolarHBondContact O-CG 3.31Å; G27-R31 PolarHBondContact O-N 3.1Å; G27-R31 VanDerWaalsContact O-N 3.13Å
28	F	95.6	Very high	96	Very high	127 Å²	127	62.9 Å²	62.9	56%	0.557	36%	0.358	S	S	*	.	H	α-helix	trans	-52.4	-46.2	-171.9	175.4	-97.2	0	0	0	114.3	T30 R31 Q32	F28-T30 PolarHBondContact O-N 3.25Å; F28-R31 PolarHBondContact O-N 3.23Å; F28-Q32 HydrophobicContact CD1-CG 4.48Å; F28-Q32 HydrophobicContact CE1-CG 3.96Å; F28-Q32 HydrophobicContact CE2-CG 4.23Å; F28-Q32 VanDerWaalsContact CZ-CD 3.49Å; F28-Q32 HydrophobicContact CZ-CG 3.82Å; F28-Q32 PolarHBondContact O-N 2.85Å
29	A	95.3	Very high	96	Very high	68 Å²	68	60.4 Å²	60.4	56%	0.562	35%	0.346	S	S	*	.	H	α-helix	trans	-61.4	-44.8	-179.2	0	0	0	0	0	112.2	G27 R31 Q32 V33	G27-A29 PolarHBondContact O-N 2.76Å; A29-R31 VanDerWaalsContact C-N 3.31Å; A29-R31 PolarHBondContact O-N 2.84Å; A29-Q32 PolarHBondContact O-N 2.84Å; A29-V33 PolarHBondContact O-N 2.84Å
30	T	95.3	Very high	96	Very high	60 Å²	60	58.4 Å²	58.4	37%	0.368	34%	0.336	S	S	.	.	H	α-helix	trans	-60.4	-41.7	176.1	-56.1	0	0	0	0	111.1	V26 G27 F28 V33 A34 F58	V26-T30 HydrophobicContact CG1-CG2 3.63Å; G27-T30 WeakPolarHBondContact O-CB 3.3Å; G27-T30 PolarHBondContact O-N 3.46Å; G27-T30 VanDerWaalsContact O-N 3.15Å; F28-T30 PolarHBondContact O-N 3.25Å; T30-V33 PolarHBondContact O-N 3.08Å; T30-A34 VanDerWaalsContact O-CB 3.24Å; T30-A34 WeakPolarHBondContact O-CB 3.25Å; T30-A34 PolarHBondContact O-N 2.94Å; T30-F58 HydrophobicContact CG2-CE1 3.84Å; T30-F58 HydrophobicContact CG2-CZ 4.02Å
31	R	97.1	Very high	95.9	Very high	27 Å²	27	58.1 Å²	58.1	10%	0.102	34%	0.335	C	S	.	.	H	α-helix	trans	-65.5	-41.7	179.1	-58.5	-163.3	-48.8	-92.1	2.8	112.7	D18 M21 V26 G27 F28 A29 V33 A34 S35	D18-R31 WeakPolarHBondContact O-CD 3.39Å; D18-R31 WeakPolarHBondContact OD1-CB 3.49Å; D18-R31 WeakPolarHBondContact OD1-CD 3.25Å; D18-R31 IonicContact OD1-CZ 2.59Å; D18-R31 IonicContact OD1-NE 2.72Å; D18-R31 PolarHBondContact OD1-NE 2.83Å; D18-R31 IonicContact OD1-NH2 2.75Å; D18-R31 IonicContact OD2-NE 2.84Å; M21-R31 HydrophobicContact CB-CG 3.75Å; M21-R31 HydrophobicContact CE-CB 3.78Å; M21-R31 HydrophobicContact CE-CG 4.09Å; M21-R31 HydrophobicContact SD-CB 4.44Å; M21-R31 HydrophobicContact SD-CG 4.26Å; V26-R31 HydrophobicContact CB-CG 4.03Å; V26-R31 HydrophobicContact CG1-CG 3.74Å; V26-R31 WeakPolarHBondContact O-CD 3.44Å; V26-R31 PolarHBondContact O-NH1 2.87Å; G27-R31 WeakPolarHBondContact O-CG 3.31Å; G27-R31 PolarHBondContact O-N 3.1Å; G27-R31 VanDerWaalsContact O-N 3.13Å; F28-R31 PolarHBondContact O-N 3.23Å; A29-R31 VanDerWaalsContact C-N 3.31Å; A29-R31 PolarHBondContact O-N 2.84Å; R31-V33 PolarHBondContact O-N 3.43Å; R31-A34 PolarHBondContact O-N 2.91Å; R31-S35 VanDerWaalsContact O-CB 3.28Å; R31-S35 WeakPolarHBondContact O-CB 3.09Å; R31-S35 PolarHBondContact O-N 2.85Å; R31-S35 PolarHBondContact O-OG 2.78Å
32	Q	94.8	Very high	95.9	Very high	106 Å²	106	58.9 Å²	58.9	50%	0.495	34%	0.339	S	S	.	.	H	α-helix	trans	-58.3	-50.6	175.5	-76.9	-156.9	-52.8	0	0	111.3	F28 A29 S35	F28-Q32 HydrophobicContact CD1-CG 4.48Å; F28-Q32 HydrophobicContact CE1-CG 3.96Å; F28-Q32 HydrophobicContact CE2-CG 4.23Å; F28-Q32 VanDerWaalsContact CZ-CD 3.49Å; F28-Q32 HydrophobicContact CZ-CG 3.82Å; F28-Q32 PolarHBondContact O-N 2.85Å; A29-Q32 PolarHBondContact O-N 2.84Å; Q32-S35 PolarHBondContact O-N 2.87Å; Q32-S35 PolarHBondContact O-OG 2.87Å
33	V	95.4	Very high	96	Very high	58 Å²	58	52.8 Å²	52.8	35%	0.352	31%	0.313	S	S	.	.	H	α-helix	trans	-62.2	-50.3	179.1	179.3	0	0	0	0	110.8	A29 T30 R31 S35 M36 T37 F58	A29-V33 PolarHBondContact O-N 2.84Å; T30-V33 PolarHBondContact O-N 3.08Å; R31-V33 PolarHBondContact O-N 3.43Å; V33-S35 VanDerWaalsContact C-N 3.29Å; V33-S35 PolarHBondContact O-N 3.03Å; V33-M36 PolarHBondContact O-N 2.87Å; V33-M36 VanDerWaalsContact O-N 3.12Å; V33-T37 WeakPolarHBondContact O-CG2 3.36Å; V33-T37 PolarHBondContact O-N 3.1Å; V33-F58 HydrophobicContact CB-CE2 4.41Å; V33-F58 HydrophobicContact CG1-CB 4.24Å; V33-F58 HydrophobicContact CG1-CD1 4.25Å; V33-F58 HydrophobicContact CG1-CD2 3.57Å; V33-F58 HydrophobicContact CG1-CE2 3.92Å; V33-F58 HydrophobicContact CG1-CG 3.76Å; V33-F58 HydrophobicContact CG1-CZ 4.39Å
34	A	94.9	Very high	95.9	Very high	11 Å²	11	54.5 Å²	54.5	9%	0.091	32%	0.316	C	S	.	.	H	α-helix	trans	-59.2	-37.9	-178.5	0	0	0	0	0	112.8	F17 M21 T30 R31 M36 T37	F17-A34 HydrophobicContact CE1-CB 4.29Å; M21-A34 HydrophobicContact CE-CB 4.05Å; M21-A34 HydrophobicContact SD-CB 3.68Å; T30-A34 VanDerWaalsContact O-CB 3.24Å; T30-A34 WeakPolarHBondContact O-CB 3.25Å; T30-A34 PolarHBondContact O-N 2.94Å; R31-A34 PolarHBondContact O-N 2.91Å; A34-M36 PolarHBondContact O-N 2.84Å; A34-T37 PolarHBondContact O-N 3.25Å; A34-T37 VanDerWaalsContact O-N 3.11Å; A34-T37 PolarHBondContact O-OG1 2.98Å
35	S	92.5	Very high	95.9	Very high	68 Å²	68	57.5 Å²	57.5	48%	0.476	33%	0.329	S	S	.	.	H	α-helix	trans	-64	-25.9	179.5	73.1	0	0	0	0	113.8	R31 Q32 V33	R31-S35 VanDerWaalsContact O-CB 3.28Å; R31-S35 WeakPolarHBondContact O-CB 3.09Å; R31-S35 PolarHBondContact O-N 2.85Å; R31-S35 PolarHBondContact O-OG 2.78Å; Q32-S35 PolarHBondContact O-N 2.87Å; Q32-S35 PolarHBondContact O-OG 2.87Å; V33-S35 VanDerWaalsContact C-N 3.29Å; V33-S35 PolarHBondContact O-N 3.03Å
36	M	92.3	Very high	95.8	Very high	144 Å²	144	60.5 Å²	60.5	71%	0.709	33%	0.329	S	S	*	.	H	α-helix	trans	-87.5	-14.7	177.2	-62.1	-176.2	-69	0	0	112.9	V33 A34	V33-M36 PolarHBondContact O-N 2.87Å; V33-M36 VanDerWaalsContact O-N 3.12Å; A34-M36 PolarHBondContact O-N 2.84Å
37	T	93	Very high	95.8	Very high	19 Å²	19	62.1 Å²	62.1	12%	0.117	35%	0.349	C	S	.	.			trans	-78.9	143.9	-179.9	66.6	0	0	0	0	112.6	V33 A34 P39 F58	V33-T37 WeakPolarHBondContact O-CG2 3.36Å; V33-T37 PolarHBondContact O-N 3.1Å; A34-T37 PolarHBondContact O-N 3.25Å; A34-T37 VanDerWaalsContact O-N 3.11Å; A34-T37 PolarHBondContact O-OG1 2.98Å; T37-P39 VanDerWaalsContact O-CD 3.3Å; T37-P39 WeakPolarHBondContact O-CD 2.87Å; T37-F58 HydrophobicContact CG2-CB 3.88Å
38	K	94.3	Very high	95.7	Very high	157 Å²	157	66.4 Å²	66.4	68%	0.683	36%	0.362	S	S	*	.			trans	-113.1	82.9	170	-63.5	-172.9	-179.8	-173.2	0	109.1	L11	L11-K38 HydrophobicContact CB-CB 4.41Å; L11-K38 HydrophobicContact CD2-CG 4.44Å
39	P	96.1	Very high	95.8	Very high	9 Å²	9	62.7 Å²	62.7	6%	0.058	35%	0.349	C	S	.	.			trans	-62.2	150.6	179.4	24.2	-35.3	0	0	0	112.2	L11 T37 T54 Q55 R127	L11-P39 HydrophobicContact CB-CG 4.44Å; L11-P39 PolarHBondContact N-O 2.9Å; L11-P39 VanDerWaalsContact N-O 3.14Å; T37-P39 VanDerWaalsContact O-CD 3.3Å; T37-P39 WeakPolarHBondContact O-CD 2.87Å; P39-T54 HydrophobicContact CB-CG2 3.91Å; P39-Q55 CarbonylContact C-O 3.57Å; P39-Q55 WeakPolarHBondContact CA-O 3.33Å; P39-Q55 WeakPolarHBondContact CB-O 3.49Å; P39-R127 VanDerWaalsContact CG-NH2 3.31Å
40	T	97.8	Very high	95.9	Very high	32 Å²	32	59.5 Å²	59.5	20%	0.196	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	126	165.3	-59.8	0	0	0	0	108.4	T8 W9 K10 I42 Q55	T8-T40 HydrophobicContact CG2-CG2 3.29Å; W9-T40 CarbonylContact O-C 3.58Å; W9-T40 WeakPolarHBondContact O-CA 3.34Å; K10-T40 HydrophobicContact CG-CG2 4.48Å; T40-I42 HydrophobicContact CG2-CG1 4.18Å; T40-Q55 PolarHBondContact N-O 2.86Å; T40-Q55 PolarHBondContact O-N 2.72Å
41	T	98.2	Very high	96	Very high	4 Å²	4	58.3 Å²	58.3	3%	0.025	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	124.3	173.8	-65.5	0	0	0	0	109.2	W9 I43 L52 K53	W9-T41 WeakPolarHBondContact CB-O 3.13Å; W9-T41 PolarHBondContact N-O 3.32Å; W9-T41 PolarHBondContact O-N 2.82Å; T41-I43 HydrophobicContact CG2-CD1 4.45Å; T41-I43 HydrophobicContact CG2-CG1 4.1Å; T41-L52 HydrophobicContact CG2-CD2 4.32Å; T41-L52 HydrophobicContact CG2-CG 4.37Å; T41-K53 CarbonylContact C-O 3.59Å; T41-K53 VanDerWaalsContact CA-O 3.28Å; T41-K53 WeakPolarHBondContact CA-O 3.43Å
42	I	98.4	Very high	96.1	Very high	28 Å²	28	57.3 Å²	57.3	14%	0.144	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	126.3	178	-51.8	162.9	0	0	0	107.2	G7 T8 T40 E44 L52 K53	G7-I42 WeakPolarHBondContact O-CA 3.43Å; T8-I42 HydrophobicContact CG2-CG1 3.97Å; T40-I42 HydrophobicContact CG2-CG1 4.18Å; I42-E44 HydrophobicContact CG2-CG 3.98Å; I42-L52 WeakPolarHBondContact O-CA 3.36Å; I42-K53 HydrophobicContact CB-CB 4.21Å; I42-K53 PolarHBondContact N-O 3.18Å; I42-K53 PolarHBondContact O-N 3.36Å
43	I	98.1	Very high	96.2	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	118.1	177.4	-56.6	175.1	0	0	0	107.5	F5 V6 G7 T41 I50 I51 L52 L114	F5-I43 HydrophobicContact CB-CD1 4.1Å; V6-I43 WeakPolarHBondContact CA-O 3.41Å; V6-I43 WeakPolarHBondContact CG1-O 3.41Å; G7-I43 PolarHBondContact N-O 3Å; G7-I43 PolarHBondContact O-N 3.42Å; T41-I43 HydrophobicContact CG2-CD1 4.45Å; T41-I43 HydrophobicContact CG2-CG1 4.1Å; I43-I50 HydrophobicContact CG2-CG2 4.09Å; I43-I51 WeakPolarHBondContact CA-O 3.32Å; I43-L52 HydrophobicContact CG1-CG 4.35Å; I43-L114 HydrophobicContact CD1-CD1 4.06Å
44	E	97.7	Very high	96.3	Very high	77 Å²	77	53 Å²	53	36%	0.36	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	154	179.3	-58.4	172.7	133.5	0	0	109.5	I42 I50 I51 K53	I42-E44 HydrophobicContact CG2-CG 3.98Å; E44-I50 CarbonylContact O-C 3.53Å; E44-I50 WeakPolarHBondContact O-CA 3.28Å; E44-I51 HydrophobicContact CB-CB 4.3Å; E44-I51 PolarHBondContact N-O 3.11Å; E44-I51 PolarHBondContact O-N 3.12Å; E44-K53 IonicContact OE1-NZ 2.7Å; E44-K53 IonicContact OE2-NZ 3.97Å; E44-K53 PolarHBondContact OE2-NZ 3.41Å
45	K	96.8	Very high	96.4	Very high	86 Å²	86	56.8 Å²	56.8	37%	0.374	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	125.3	176.8	-176.2	-169.4	178.9	-172.6	0	109	V2 D3 V6 G47 T49	V2-K45 HydrophobicContact CG1-CD 3.8Å; D3-K45 VanDerWaalsContact CG-NZ 3.27Å; D3-K45 VanDerWaalsContact OD1-CD 3.25Å; D3-K45 WeakPolarHBondContact OD1-CD 3.38Å; D3-K45 IonicContact OD1-NZ 3.96Å; D3-K45 PolarHBondContact OD1-NZ 2.72Å; D3-K45 IonicContact OD2-NZ 3.74Å; D3-K45 PolarHBondContact OD2-NZ 2.88Å; V6-K45 HydrophobicContact CG2-CB 3.93Å; K45-G47 VanDerWaalsContact CE-O 3.25Å; K45-G47 WeakPolarHBondContact CE-O 3.47Å; K45-G47 WeakPolarHBondContact CG-O 3.37Å; K45-T49 WeakPolarHBondContact CA-O 3.5Å
46	N	95.4	Very high	96.5	Very high	129 Å²	129	55 Å²	55	69%	0.69	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.6	98.8	174.6	-173.5	3	0	0	0	109.1	D48 T49	N46-D48 PolarHBondContact O-N 3.28Å; N46-T49 PolarHBondContact N-O 2.82Å; N46-T49 PolarHBondContact O-N 2.75Å; N46-T49 VanDerWaalsContact O-N 3.1Å
47	G	95.3	Very high	96.3	Very high	51 Å²	51	55 Å²	55	53%	0.526	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	-119.6	-168.5	0	0	0	0	0	111	K45	K45-G47 VanDerWaalsContact CE-O 3.25Å; K45-G47 WeakPolarHBondContact CE-O 3.47Å; K45-G47 WeakPolarHBondContact CG-O 3.37Å
48	D	95	Very high	96.1	Very high	132 Å²	132	58 Å²	58	71%	0.706	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-7	178.7	-63.1	-32	0	0	0	113.6	N46	N46-D48 PolarHBondContact O-N 3.28Å
49	T	97.3	Very high	95.7	Very high	49 Å²	49	54.7 Å²	54.7	30%	0.301	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	128.3	179.9	-59.1	0	0	0	0	110	K45 N46	K45-T49 WeakPolarHBondContact CA-O 3.5Å; N46-T49 PolarHBondContact N-O 2.82Å; N46-T49 PolarHBondContact O-N 2.75Å; N46-T49 VanDerWaalsContact O-N 3.1Å
50	I	98.1	Very high	95.6	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.01	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	133.7	173.8	-61.8	150.1	0	0	0	107.9	V2 I43 E44 S64 F65 L67	V2-I50 HydrophobicContact CB-CD1 4.39Å; V2-I50 HydrophobicContact CG1-CD1 4.22Å; V2-I50 HydrophobicContact CG1-CG1 4.39Å; V2-I50 HydrophobicContact CG2-CD1 3.83Å; V2-I50 HydrophobicContact CG2-CG1 4.25Å; I43-I50 HydrophobicContact CG2-CG2 4.09Å; E44-I50 CarbonylContact O-C 3.53Å; E44-I50 WeakPolarHBondContact O-CA 3.28Å; I50-S64 CarbonylContact O-C 3.53Å; I50-S64 VanDerWaalsContact O-CA 3.31Å; I50-S64 WeakPolarHBondContact O-CA 3.42Å; I50-F65 HydrophobicContact CB-CD2 4.17Å; I50-F65 HydrophobicContact CB-CE1 4.38Å; I50-F65 HydrophobicContact CB-CE2 3.69Å; I50-F65 HydrophobicContact CB-CZ 3.82Å; I50-F65 HydrophobicContact CD1-CD2 4.25Å; I50-F65 HydrophobicContact CD1-CE2 3.66Å; I50-F65 HydrophobicContact CD1-CZ 4.41Å; I50-F65 HydrophobicContact CG1-CE2 4.32Å; I50-F65 HydrophobicContact CG2-CE1 4.06Å; I50-F65 HydrophobicContact CG2-CE2 3.83Å; I50-F65 HydrophobicContact CG2-CZ 3.46Å; I50-F65 VanDerWaalsContact CG2-CZ 3.46Å; I50-F65 PolarHBondContact N-O 2.8Å; I50-F65 PolarHBondContact O-N 3.39Å; I50-L67 HydrophobicContact CD1-CD1 4.07Å; I50-L67 HydrophobicContact CD1-CD2 3.53Å; I50-L67 HydrophobicContact CD1-CG 3.51Å
51	I	98.3	Very high	95.5	Very high	34 Å²	34	59.8 Å²	59.8	17%	0.174	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	125.6	175.5	-50.3	177.7	0	0	0	107.4	I43 E44 K53 E62 I63	I43-I51 WeakPolarHBondContact CA-O 3.32Å; E44-I51 HydrophobicContact CB-CB 4.3Å; E44-I51 PolarHBondContact N-O 3.11Å; E44-I51 PolarHBondContact O-N 3.12Å; I51-K53 HydrophobicContact CG2-CG 4.21Å; I51-E62 HydrophobicContact CG2-CG 3.96Å; I51-I63 CarbonylContact C-O 3.6Å; I51-I63 WeakPolarHBondContact CA-O 3.25Å
52	L	98.2	Very high	95.5	Very high	6 Å²	6	65.2 Å²	65.2	3%	0.031	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	113.7	175.7	-171.3	159.4	0	0	0	108.9	T41 I42 I43 E62 I63 F65	T41-L52 HydrophobicContact CG2-CD2 4.32Å; T41-L52 HydrophobicContact CG2-CG 4.37Å; I42-L52 WeakPolarHBondContact O-CA 3.36Å; I43-L52 HydrophobicContact CG1-CG 4.35Å; L52-E62 WeakPolarHBondContact O-CA 3.5Å; L52-I63 HydrophobicContact CB-CD1 4.29Å; L52-I63 HydrophobicContact CB-CG1 3.81Å; L52-I63 PolarHBondContact N-O 3.38Å; L52-I63 PolarHBondContact O-N 3Å; L52-F65 HydrophobicContact CB-CE1 4.08Å
53	K	98.1	Very high	95.5	Very high	40 Å²	40	64.7 Å²	64.7	17%	0.174	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	134.1	175.3	-62.1	165.4	177.6	156.2	0	109.1	T41 I42 E44 I51 T61 E62	T41-K53 CarbonylContact C-O 3.59Å; T41-K53 VanDerWaalsContact CA-O 3.28Å; T41-K53 WeakPolarHBondContact CA-O 3.43Å; I42-K53 HydrophobicContact CB-CB 4.21Å; I42-K53 PolarHBondContact N-O 3.18Å; I42-K53 PolarHBondContact O-N 3.36Å; E44-K53 IonicContact OE1-NZ 2.7Å; E44-K53 IonicContact OE2-NZ 3.97Å; E44-K53 PolarHBondContact OE2-NZ 3.41Å; I51-K53 HydrophobicContact CG2-CG 4.21Å; K53-T61 CarbonylContact C-O 3.53Å; K53-T61 WeakPolarHBondContact CA-O 3.43Å; K53-E62 VanDerWaalsContact CE-CD 3.4Å; K53-E62 WeakPolarHBondContact CE-OE2 3.37Å; K53-E62 HydrophobicContact CG-CB 4.19Å; K53-E62 HydrophobicContact CG-CG 3.77Å
54	T	97.4	Very high	95.5	Very high	33 Å²	33	67.7 Å²	67.7	20%	0.202	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	115.8	168.6	-55.5	0	0	0	0	107.7	P39 N60 T61	P39-T54 HydrophobicContact CB-CG2 3.91Å; T54-N60 CarbonylContact O-C 3.54Å; T54-N60 VanDerWaalsContact O-CA 3.24Å; T54-N60 WeakPolarHBondContact O-CA 3.49Å; T54-T61 WeakPolarHBondContact CB-OG1 3.37Å; T54-T61 PolarHBondContact N-O 3.09Å; T54-T61 PolarHBondContact O-N 2.85Å
55	Q	96.5	Very high	95.5	Very high	92 Å²	92	64.4 Å²	64.4	43%	0.43	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	133.8	-176.4	-66.4	-179.5	-20.5	0	0	110.6	P39 T40 N60	P39-Q55 CarbonylContact C-O 3.57Å; P39-Q55 WeakPolarHBondContact CA-O 3.33Å; P39-Q55 WeakPolarHBondContact CB-O 3.49Å; T40-Q55 PolarHBondContact N-O 2.86Å; T40-Q55 PolarHBondContact O-N 2.72Å; Q55-N60 WeakPolarHBondContact CA-OD1 3.46Å
56	S	93.4	Very high	95.5	Very high	29 Å²	29	63.4 Å²	63.4	20%	0.203	35%	0.348	C	S	.	.			trans	-149.2	170.9	173	72.3	0	0	0	0	110.5	F58 K59 N60	S56-F58 PolarHBondContact O-N 2.86Å; S56-F58 PolarHBondContact OG-N 2.92Å; S56-K59 PolarHBondContact N-O 3.33Å; S56-K59 PolarHBondContact OG-N 2.97Å; S56-K59 PolarHBondContact OG-O 2.86Å; S56-N60 PolarHBondContact N-OD1 3.32Å; S56-N60 PolarHBondContact O-OD1 2.82Å
57	T	89.2	Confident	95.6	Very high	144 Å²	144	60.4 Å²	60.4	88%	0.883	33%	0.332	S	S	*	.	S	Bend	trans	-68.2	-8.1	172.5	51.8	0	0	0	0	113.5
58	F	87.8	Confident	95.7	Very high	82 Å²	82	60.4 Å²	60.4	36%	0.36	33%	0.332	S	S	.	.	S	Bend	trans	-110.4	-54.6	-175.2	-179.1	-124.7	0	0	0	112.9	T30 V33 T37 S56	T30-F58 HydrophobicContact CG2-CE1 3.84Å; T30-F58 HydrophobicContact CG2-CZ 4.02Å; V33-F58 HydrophobicContact CB-CE2 4.41Å; V33-F58 HydrophobicContact CG1-CB 4.24Å; V33-F58 HydrophobicContact CG1-CD1 4.25Å; V33-F58 HydrophobicContact CG1-CD2 3.57Å; V33-F58 HydrophobicContact CG1-CE2 3.92Å; V33-F58 HydrophobicContact CG1-CG 3.76Å; V33-F58 HydrophobicContact CG1-CZ 4.39Å; T37-F58 HydrophobicContact CG2-CB 3.88Å; S56-F58 PolarHBondContact O-N 2.86Å; S56-F58 PolarHBondContact OG-N 2.92Å
59	K	87	Confident	95.9	Very high	88 Å²	88	60 Å²	60	38%	0.383	32%	0.324	S	S	.	.			trans	-139.2	145	-178.3	-72.5	-76.9	-170.4	158.1	0	110.2	S56	S56-K59 PolarHBondContact N-O 3.33Å; S56-K59 PolarHBondContact OG-N 2.97Å; S56-K59 PolarHBondContact OG-O 2.86Å
60	N	93.7	Very high	95.9	Very high	110 Å²	110	63.4 Å²	63.4	59%	0.588	34%	0.336	S	S	*	.			trans	-121.6	137	172.8	-60.8	-38.1	0	0	0	109.1	T54 Q55 S56	T54-N60 CarbonylContact O-C 3.54Å; T54-N60 VanDerWaalsContact O-CA 3.24Å; T54-N60 WeakPolarHBondContact O-CA 3.49Å; Q55-N60 WeakPolarHBondContact CA-OD1 3.46Å; S56-N60 PolarHBondContact N-OD1 3.32Å; S56-N60 PolarHBondContact O-OD1 2.82Å
61	T	96.3	Very high	96	Very high	38 Å²	38	64.9 Å²	64.9	23%	0.233	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	151.1	172.6	61.2	0	0	0	0	110.2	K53 T54 A76	K53-T61 CarbonylContact C-O 3.53Å; K53-T61 WeakPolarHBondContact CA-O 3.43Å; T54-T61 WeakPolarHBondContact CB-OG1 3.37Å; T54-T61 PolarHBondContact N-O 3.09Å; T54-T61 PolarHBondContact O-N 2.85Å; T61-A76 HydrophobicContact CG2-CB 3.72Å
62	E	97.4	Very high	96	Very high	119 Å²	119	69 Å²	69	56%	0.556	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.6	128.4	173.8	-178.9	168.7	150.3	0	0	108.6	I51 L52 K53	I51-E62 HydrophobicContact CG2-CG 3.96Å; L52-E62 WeakPolarHBondContact O-CA 3.5Å; K53-E62 VanDerWaalsContact CE-CD 3.4Å; K53-E62 WeakPolarHBondContact CE-OE2 3.37Å; K53-E62 HydrophobicContact CG-CB 4.19Å; K53-E62 HydrophobicContact CG-CG 3.77Å
63	I	97.9	Very high	96	Very high	17 Å²	17	69.6 Å²	69.6	9%	0.087	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	143.6	173.3	60.1	173.8	0	0	0	109.4	I51 L52 F65 F71 E73	I51-I63 CarbonylContact C-O 3.6Å; I51-I63 WeakPolarHBondContact CA-O 3.25Å; L52-I63 HydrophobicContact CB-CD1 4.29Å; L52-I63 HydrophobicContact CB-CG1 3.81Å; L52-I63 PolarHBondContact N-O 3.38Å; L52-I63 PolarHBondContact O-N 3Å; I63-F65 HydrophobicContact CD1-CD1 3.96Å; I63-F65 HydrophobicContact CD1-CE1 3.89Å; I63-F65 HydrophobicContact CG1-CD1 4.03Å; I63-F65 HydrophobicContact CG1-CE1 4.06Å; I63-F71 HydrophobicContact CB-CE2 4.19Å; I63-F71 HydrophobicContact CD1-CE2 4.37Å; I63-F71 HydrophobicContact CD1-CZ 4.16Å; I63-F71 HydrophobicContact CG2-CE2 4.41Å; I63-E73 HydrophobicContact CG2-CG 3.84Å
64	S	97.8	Very high	95.9	Very high	63 Å²	63	71.8 Å²	71.8	44%	0.441	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.7	173.2	-67.3	0	0	0	0	109	I50	I50-S64 CarbonylContact O-C 3.53Å; I50-S64 VanDerWaalsContact O-CA 3.31Å; I50-S64 WeakPolarHBondContact O-CA 3.42Å
65	F	98.1	Very high	95.9	Very high	9 Å²	9	70.5 Å²	70.5	4%	0.039	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	161.4	-174.6	58.4	-92.4	0	0	0	112.1	I50 L52 I63 L67 F71 V85	I50-F65 HydrophobicContact CB-CD2 4.17Å; I50-F65 HydrophobicContact CB-CE1 4.38Å; I50-F65 HydrophobicContact CB-CE2 3.69Å; I50-F65 HydrophobicContact CB-CZ 3.82Å; I50-F65 HydrophobicContact CD1-CD2 4.25Å; I50-F65 HydrophobicContact CD1-CE2 3.66Å; I50-F65 HydrophobicContact CD1-CZ 4.41Å; I50-F65 HydrophobicContact CG1-CE2 4.32Å; I50-F65 HydrophobicContact CG2-CE1 4.06Å; I50-F65 HydrophobicContact CG2-CE2 3.83Å; I50-F65 HydrophobicContact CG2-CZ 3.46Å; I50-F65 VanDerWaalsContact CG2-CZ 3.46Å; I50-F65 PolarHBondContact N-O 2.8Å; I50-F65 PolarHBondContact O-N 3.39Å; L52-F65 HydrophobicContact CB-CE1 4.08Å; I63-F65 HydrophobicContact CD1-CD1 3.96Å; I63-F65 HydrophobicContact CD1-CE1 3.89Å; I63-F65 HydrophobicContact CG1-CD1 4.03Å; I63-F65 HydrophobicContact CG1-CE1 4.06Å; F65-L67 HydrophobicContact CE2-CD2 4.24Å; F65-F71 HydrophobicContact CB-CD1 3.64Å; F65-F71 HydrophobicContact CB-CE1 3.42Å; F65-F71 VanDerWaalsContact CB-CE1 3.42Å; F65-F71 HydrophobicContact CB-CE2 4.43Å; F65-F71 HydrophobicContact CB-CG 4.26Å; F65-F71 HydrophobicContact CB-CZ 3.85Å; F65-F71 HydrophobicContact CD1-CE1 4.35Å; F65-F71 HydrophobicContact CD1-CZ 4.08Å; F65-F71 AromaticContact CG-CE1 3.97Å; F65-F71 HydrophobicContact CG-CE1 3.97Å; F65-F71 HydrophobicContact CG-CZ 4.17Å; F65-V85 HydrophobicContact CD1-CG2 4.15Å; F65-V85 HydrophobicContact CD2-CB 3.6Å; F65-V85 HydrophobicContact CD2-CG1 4.21Å; F65-V85 HydrophobicContact CD2-CG2 3.77Å; F65-V85 HydrophobicContact CE1-CG2 4.06Å; F65-V85 HydrophobicContact CE2-CB 3.4Å; F65-V85 VanDerWaalsContact CE2-CB 3.4Å; F65-V85 HydrophobicContact CE2-CG1 3.48Å; F65-V85 VanDerWaalsContact CE2-CG1 3.48Å; F65-V85 HydrophobicContact CE2-CG2 3.67Å; F65-V85 HydrophobicContact CG-CB 4.34Å; F65-V85 HydrophobicContact CG-CG2 4.02Å; F65-V85 HydrophobicContact CZ-CB 4Å; F65-V85 HydrophobicContact CZ-CG1 3.86Å; F65-V85 HydrophobicContact CZ-CG2 3.82Å
66	Q	97.8	Very high	95.8	Very high	64 Å²	64	68.5 Å²	68.5	30%	0.299	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	142.6	167.3	-64.7	-172.5	-25.7	0	0	108.5	G68 K69	Q66-G68 PolarHBondContact O-N 2.87Å; Q66-K69 HydrophobicContact CB-CB 4.37Å; Q66-K69 HydrophobicContact CB-CD 4.06Å; Q66-K69 HydrophobicContact CB-CG 4.26Å; Q66-K69 PolarHBondContact O-N 3.01Å; Q66-K69 VanDerWaalsContact OE1-CE 3.28Å
67	L	97.2	Very high	95.9	Very high	67 Å²	67	69.5 Å²	69.5	35%	0.351	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	133.6	-179.2	-65.7	175.5	0	0	0	111.1	V2 I50 F65 K69 V85 L87 L92	V2-L67 HydrophobicContact CB-CD1 4.48Å; I50-L67 HydrophobicContact CD1-CD1 4.07Å; I50-L67 HydrophobicContact CD1-CD2 3.53Å; I50-L67 HydrophobicContact CD1-CG 3.51Å; F65-L67 HydrophobicContact CE2-CD2 4.24Å; L67-K69 PolarHBondContact O-N 3.33Å; L67-V85 CarbonylContact C-O 3.52Å; L67-V85 WeakPolarHBondContact CA-O 3.39Å; L67-V85 HydrophobicContact CD2-CG1 4.18Å; L67-L87 HydrophobicContact CD1-CB 4.43Å; L67-L92 HydrophobicContact CD2-CD1 3.83Å
68	G	97.7	Very high	96.1	Very high	50 Å²	50	68.1 Å²	68.1	52%	0.515	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	2.3	178.9	0	0	0	0	0	115.5	Q66 V85	Q66-G68 PolarHBondContact O-N 2.87Å; G68-V85 PolarHBondContact N-O 3.49Å
69	K	98.2	Very high	96.6	Very high	123 Å²	123	65.7 Å²	65.7	54%	0.535	36%	0.355	S	S	.	.			trans	-104.6	133	175.5	-62.5	-166.6	-176.1	173.1	0	111	Q66 L67	Q66-K69 HydrophobicContact CB-CB 4.37Å; Q66-K69 HydrophobicContact CB-CD 4.06Å; Q66-K69 HydrophobicContact CB-CG 4.26Å; Q66-K69 PolarHBondContact O-N 3.01Å; Q66-K69 VanDerWaalsContact OE1-CE 3.28Å; L67-K69 PolarHBondContact O-N 3.33Å
70	E	98.5	Very high	97.1	Very high	121 Å²	121	70 Å²	70	57%	0.565	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	142.9	175.4	-169	177.8	85.1	0	0	110.9	K82 S83	E70-K82 HydrophobicContact CG-CB 4.17Å; E70-K82 HydrophobicContact CG-CD 4.32Å; E70-S83 CarbonylContact C-O 3.55Å; E70-S83 VanDerWaalsContact CA-O 3.26Å; E70-S83 WeakPolarHBondContact CA-O 3.06Å
71	F	98.6	Very high	97.3	Very high	33 Å²	33	64.9 Å²	64.9	15%	0.145	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	159.2	176.6	63.6	-79.7	0	0	0	111.5	I63 F65 E73 S83 V85	I63-F71 HydrophobicContact CB-CE2 4.19Å; I63-F71 HydrophobicContact CD1-CE2 4.37Å; I63-F71 HydrophobicContact CD1-CZ 4.16Å; I63-F71 HydrophobicContact CG2-CE2 4.41Å; F65-F71 HydrophobicContact CB-CD1 3.64Å; F65-F71 HydrophobicContact CB-CE1 3.42Å; F65-F71 VanDerWaalsContact CB-CE1 3.42Å; F65-F71 HydrophobicContact CB-CE2 4.43Å; F65-F71 HydrophobicContact CB-CG 4.26Å; F65-F71 HydrophobicContact CB-CZ 3.85Å; F65-F71 HydrophobicContact CD1-CE1 4.35Å; F65-F71 HydrophobicContact CD1-CZ 4.08Å; F65-F71 AromaticContact CG-CE1 3.97Å; F65-F71 HydrophobicContact CG-CE1 3.97Å; F65-F71 HydrophobicContact CG-CZ 4.17Å; F71-E73 HydrophobicContact CD2-CB 4.32Å; F71-E73 HydrophobicContact CE2-CB 3.94Å; F71-S83 WeakPolarHBondContact CD1-O 3.45Å; F71-S83 WeakPolarHBondContact CE1-O 3.34Å; F71-S83 PolarHBondContact N-O 2.9Å; F71-S83 PolarHBondContact O-N 3.02Å; F71-V85 HydrophobicContact CE1-CG2 4.08Å; F71-V85 HydrophobicContact CZ-CG2 4.28Å
72	D	98.4	Very high	97.4	Very high	121 Å²	121	67 Å²	67	65%	0.647	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	131.4	172.1	-72.6	-65.5	0	0	0	110.6	K82	D72-K82 WeakPolarHBondContact OD1-CD 3.28Å; D72-K82 VanDerWaalsContact OD1-CE 3.23Å; D72-K82 WeakPolarHBondContact OD1-CE 3.3Å; D72-K82 IonicContact OD1-NZ 2.71Å; D72-K82 PolarHBondContact OD1-NZ 2.82Å; D72-K82 IonicContact OD2-NZ 2.95Å; D72-K82 PolarHBondContact OD2-NZ 3.45Å
73	E	98.2	Very high	97.5	Very high	18 Å²	18	61.4 Å²	61.4	8%	0.084	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	137.1	177.7	175.7	178.7	179.1	0	0	110.3	I63 F71 T75 K80 V81 S83 H94 Q96	I63-E73 HydrophobicContact CG2-CG 3.84Å; F71-E73 HydrophobicContact CD2-CB 4.32Å; F71-E73 HydrophobicContact CE2-CB 3.94Å; E73-T75 HydrophobicContact CG-CG2 4.3Å; E73-K80 WeakPolarHBondContact O-CA 3.35Å; E73-V81 HydrophobicContact CB-CG2 3.74Å; E73-V81 HydrophobicContact CG-CG2 4.16Å; E73-V81 PolarHBondContact N-O 3.11Å; E73-V81 PolarHBondContact O-N 2.98Å; E73-S83 VanDerWaalsContact OE2-CB 3.31Å; E73-S83 WeakPolarHBondContact OE2-CB 3.42Å; E73-S83 PolarHBondContact OE2-OG 3.43Å; E73-H94 IonicContact OE1-CE1 3.61Å; E73-H94 IonicContact OE2-CE1 3Å; E73-H94 PolarHBondContact OE2-CE1 2.98Å; E73-H94 IonicContact OE2-NE2 3.6Å; E73-H94 PolarHBondContact OE2-NE2 2.84Å; E73-Q96 VanDerWaalsContact CD-NE2 3.28Å; E73-Q96 PolarHBondContact OE1-NE2 2.94Å; E73-Q96 PolarHBondContact OE2-NE2 2.91Å; E73-Q96 VanDerWaalsContact OE2-NE2 3.15Å
74	T	97.2	Very high	97.5	Very high	86 Å²	86	62.3 Å²	62.3	53%	0.528	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	116.1	162.7	-57.9	0	0	0	0	108.2	R79	T74-R79 WeakPolarHBondContact CA-O 3.5Å
75	T	96.6	Very high	97.6	Very high	7 Å²	7	59.4 Å²	59.4	4%	0.043	31%	0.312	C	S	.	.			trans	-76.8	166.9	-175	57.9	0	0	0	0	111.9	E73 D77 D78 R79 V81	E73-T75 HydrophobicContact CG-CG2 4.3Å; T75-D77 VanDerWaalsContact CB-OD1 3.27Å; T75-D77 WeakPolarHBondContact CB-OD1 3.39Å; T75-D77 PolarHBondContact O-N 3.43Å; T75-D77 PolarHBondContact OG1-OD1 3.18Å; T75-D78 PolarHBondContact O-N 3.34Å; T75-R79 PolarHBondContact N-O 2.98Å; T75-R79 WeakPolarHBondContact OG1-CA 3.14Å; T75-R79 WeakPolarHBondContact OG1-CB 3.49Å; T75-R79 PolarHBondContact OG1-N 2.89Å; T75-R79 PolarHBondContact OG1-O 2.75Å; T75-R79 VanDerWaalsContact OG1-O 3.07Å; T75-V81 HydrophobicContact CG2-CG1 4.07Å; T75-V81 HydrophobicContact CG2-CG2 3.92Å
76	A	94.6	Very high	97.6	Very high	50 Å²	50	61.5 Å²	61.5	41%	0.413	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-22	179.7	0	0	0	0	0	113.5	T61	T61-A76 HydrophobicContact CG2-CB 3.72Å
77	D	95	Very high	97.5	Very high	49 Å²	49	61.6 Å²	61.6	26%	0.262	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	21.2	173.8	61.3	-48.5	0	0	0	113.1	V26 T75 R79	V26-D77 HydrophobicContact CG2-CB 3.84Å; T75-D77 VanDerWaalsContact CB-OD1 3.27Å; T75-D77 WeakPolarHBondContact CB-OD1 3.39Å; T75-D77 PolarHBondContact O-N 3.43Å; T75-D77 PolarHBondContact OG1-OD1 3.18Å; D77-R79 PolarHBondContact O-N 3.28Å; D77-R79 VanDerWaalsContact O-N 3.13Å; D77-R79 IonicContact OD1-CZ 3.7Å; D77-R79 IonicContact OD1-NE 3.55Å; D77-R79 IonicContact OD1-NH2 2.98Å; D77-R79 PolarHBondContact OD1-NH2 3.21Å; D77-R79 IonicContact OD2-CZ 3.46Å; D77-R79 IonicContact OD2-NE 2.72Å; D77-R79 PolarHBondContact OD2-NE 3.15Å; D77-R79 IonicContact OD2-NH2 3.34Å; D77-R79 PolarHBondContact OD2-NH2 3.35Å
78	D	95.1	Very high	97.4	Very high	115 Å²	115	63.8 Å²	63.8	62%	0.615	34%	0.34	S	S	*	.			trans	66.2	9.8	169.9	-56.8	-53.1	0	0	0	115.8	T75	T75-D78 PolarHBondContact O-N 3.34Å
79	R	97	Very high	97.2	Very high	32 Å²	32	65.2 Å²	65.2	12%	0.121	35%	0.354	C	S	.	.			trans	-69	136	169	-63.2	176.8	-73.8	116.9	15.6	110.3	T74 T75 D77 V81 W98	T74-R79 WeakPolarHBondContact CA-O 3.5Å; T75-R79 PolarHBondContact N-O 2.98Å; T75-R79 WeakPolarHBondContact OG1-CA 3.14Å; T75-R79 WeakPolarHBondContact OG1-CB 3.49Å; T75-R79 PolarHBondContact OG1-N 2.89Å; T75-R79 PolarHBondContact OG1-O 2.75Å; T75-R79 VanDerWaalsContact OG1-O 3.07Å; D77-R79 PolarHBondContact O-N 3.28Å; D77-R79 VanDerWaalsContact O-N 3.13Å; D77-R79 IonicContact OD1-CZ 3.7Å; D77-R79 IonicContact OD1-NE 3.55Å; D77-R79 IonicContact OD1-NH2 2.98Å; D77-R79 PolarHBondContact OD1-NH2 3.21Å; D77-R79 IonicContact OD2-CZ 3.46Å; D77-R79 IonicContact OD2-NE 2.72Å; D77-R79 PolarHBondContact OD2-NE 3.15Å; D77-R79 IonicContact OD2-NH2 3.34Å; D77-R79 PolarHBondContact OD2-NH2 3.35Å; R79-V81 HydrophobicContact CB-CG1 3.91Å; R79-W98 VanDerWaalsContact NH1-CE3 3.34Å
80	K	97.9	Very high	97	Very high	178 Å²	178	61.6 Å²	61.6	77%	0.774	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	117.7	166.8	-63.9	-177.1	-178.9	-178.6	0	108.6	E73	E73-K80 WeakPolarHBondContact O-CA 3.35Å
81	V	98.5	Very high	96.9	Very high	3 Å²	3	59.5 Å²	59.5	2%	0.018	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	153.8	-173.2	-52	0	0	0	0	110.6	E73 T75 R79 S83 Q96 K97 W98	E73-V81 HydrophobicContact CB-CG2 3.74Å; E73-V81 HydrophobicContact CG-CG2 4.16Å; E73-V81 PolarHBondContact N-O 3.11Å; E73-V81 PolarHBondContact O-N 2.98Å; T75-V81 HydrophobicContact CG2-CG1 4.07Å; T75-V81 HydrophobicContact CG2-CG2 3.92Å; R79-V81 HydrophobicContact CB-CG1 3.91Å; V81-S83 WeakPolarHBondContact CG2-OG 3.44Å; V81-Q96 HydrophobicContact CB-CB 4.18Å; V81-Q96 HydrophobicContact CG1-CB 4.42Å; V81-Q96 HydrophobicContact CG2-CB 3.96Å; V81-Q96 HydrophobicContact CG2-CG 4.05Å; V81-K97 WeakPolarHBondContact CA-O 3.2Å; V81-W98 HydrophobicContact CB-CB 4.46Å; V81-W98 HydrophobicContact CG1-CB 3.99Å; V81-W98 HydrophobicContact CG1-CD2 4.06Å; V81-W98 HydrophobicContact CG1-CE3 3.78Å; V81-W98 HydrophobicContact CG1-CG 4.16Å
82	K	98.7	Very high	96.9	Very high	83 Å²	83	58 Å²	58	36%	0.361	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	120.2	161.6	-69.9	-62.2	-171.9	-176.3	0	108.7	E70 D72 K97	E70-K82 HydrophobicContact CG-CB 4.17Å; E70-K82 HydrophobicContact CG-CD 4.32Å; D72-K82 WeakPolarHBondContact OD1-CD 3.28Å; D72-K82 VanDerWaalsContact OD1-CE 3.23Å; D72-K82 WeakPolarHBondContact OD1-CE 3.3Å; D72-K82 IonicContact OD1-NZ 2.71Å; D72-K82 PolarHBondContact OD1-NZ 2.82Å; D72-K82 IonicContact OD2-NZ 2.95Å; D72-K82 PolarHBondContact OD2-NZ 3.45Å; K82-K97 PolarHBondContact N-O 3.23Å; K82-K97 PolarHBondContact O-N 3.38Å
83	S	98.8	Very high	96.9	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	142.3	-174.5	-74.5	0	0	0	0	111.5	E70 F71 E73 V81 H94 V95	E70-S83 CarbonylContact C-O 3.55Å; E70-S83 VanDerWaalsContact CA-O 3.26Å; E70-S83 WeakPolarHBondContact CA-O 3.06Å; F71-S83 WeakPolarHBondContact CD1-O 3.45Å; F71-S83 WeakPolarHBondContact CE1-O 3.34Å; F71-S83 PolarHBondContact N-O 2.9Å; F71-S83 PolarHBondContact O-N 3.02Å; E73-S83 VanDerWaalsContact OE2-CB 3.31Å; E73-S83 WeakPolarHBondContact OE2-CB 3.42Å; E73-S83 PolarHBondContact OE2-OG 3.43Å; V81-S83 WeakPolarHBondContact CG2-OG 3.44Å; S83-H94 PolarHBondContact OG-NE2 2.8Å; S83-V95 VanDerWaalsContact CA-O 3.28Å; S83-V95 WeakPolarHBondContact CA-O 3.28Å
84	T	98.7	Very high	96.9	Very high	37 Å²	37	52.7 Å²	52.7	23%	0.227	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	134.8	168.9	-61.6	0	0	0	0	108.7	T86 V95	T84-T86 HydrophobicContact CG2-CG2 4.12Å; T84-V95 PolarHBondContact N-O 3.45Å; T84-V95 PolarHBondContact O-N 3.33Å
85	V	98.6	Very high	97	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.006	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	126.4	174.8	-172	0	0	0	0	109.6	F65 L67 G68 F71 L92 V93 H94	F65-V85 HydrophobicContact CD1-CG2 4.15Å; F65-V85 HydrophobicContact CD2-CB 3.6Å; F65-V85 HydrophobicContact CD2-CG1 4.21Å; F65-V85 HydrophobicContact CD2-CG2 3.77Å; F65-V85 HydrophobicContact CE1-CG2 4.06Å; F65-V85 HydrophobicContact CE2-CB 3.4Å; F65-V85 VanDerWaalsContact CE2-CB 3.4Å; F65-V85 HydrophobicContact CE2-CG1 3.48Å; F65-V85 VanDerWaalsContact CE2-CG1 3.48Å; F65-V85 HydrophobicContact CE2-CG2 3.67Å; F65-V85 HydrophobicContact CG-CB 4.34Å; F65-V85 HydrophobicContact CG-CG2 4.02Å; F65-V85 HydrophobicContact CZ-CB 4Å; F65-V85 HydrophobicContact CZ-CG1 3.86Å; F65-V85 HydrophobicContact CZ-CG2 3.82Å; L67-V85 CarbonylContact C-O 3.52Å; L67-V85 WeakPolarHBondContact CA-O 3.39Å; L67-V85 HydrophobicContact CD2-CG1 4.18Å; G68-V85 PolarHBondContact N-O 3.49Å; F71-V85 HydrophobicContact CE1-CG2 4.08Å; F71-V85 HydrophobicContact CZ-CG2 4.28Å; V85-L92 HydrophobicContact CG1-CD1 3.54Å; V85-L92 HydrophobicContact CG1-CD2 4.41Å; V85-L92 HydrophobicContact CG1-CG 3.73Å; V85-V93 CarbonylContact C-O 3.49Å; V85-V93 VanDerWaalsContact CA-O 3.25Å; V85-V93 WeakPolarHBondContact CA-O 3.3Å; V85-H94 HydrophobicContact CG1-CB 4.4Å; V85-H94 HydrophobicContact CG2-CB 3.84Å
86	T	98	Very high	97.1	Very high	53 Å²	53	50 Å²	50	33%	0.325	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	161.6	177.7	56.5	0	0	0	0	111	T84 V93	T84-T86 HydrophobicContact CG2-CG2 4.12Å; T86-V93 PolarHBondContact N-O 3.29Å; T86-V93 PolarHBondContact O-N 2.69Å
87	L	96.2	Very high	97.3	Very high	66 Å²	66	52.7 Å²	52.7	35%	0.346	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	113.6	168.5	-166.7	78.2	0	0	0	107.9	F5 L67 K91 L92	F5-L87 HydrophobicContact CE2-CD1 4.2Å; L67-L87 HydrophobicContact CD1-CB 4.43Å; L87-K91 WeakPolarHBondContact CA-O 3.47Å; L87-L92 HydrophobicContact CD1-CD1 4.39Å
88	D	95	Very high	97.5	Very high	114 Å²	114	51.8 Å²	51.8	61%	0.61	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.5	123.5	-178.5	-177.3	18.1	0	0	0	110.1	G90 K91 V93	D88-G90 PolarHBondContact O-N 2.9Å; D88-K91 PolarHBondContact N-O 3.19Å; D88-K91 WeakPolarHBondContact O-CA 3.31Å; D88-K91 WeakPolarHBondContact O-CB 3.32Å; D88-K91 PolarHBondContact O-N 3.43Å; D88-V93 HydrophobicContact CB-CG2 4.24Å
89	G	92.9	Very high	97.5	Very high	79 Å²	79	53.8 Å²	53.8	81%	0.814	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	26.3	-179.1	0	0	0	0	0	115	K91	G89-K91 VanDerWaalsContact C-N 3.3Å
90	G	93.8	Very high	97.5	Very high	47 Å²	47	56.6 Å²	56.6	49%	0.485	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.2	0.1	-174.4	0	0	0	0	0	115	F5 D88	F5-G90 WeakPolarHBondContact CZ-O 3.49Å; D88-G90 PolarHBondContact O-N 2.9Å
91	K	97.7	Very high	97.5	Very high	78 Å²	78	52.5 Å²	52.5	34%	0.339	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	142.1	173.5	-48.4	-166.7	-173.3	-153.2	0	110.4	L87 D88 G89 V93 V106 R107 E108	L87-K91 WeakPolarHBondContact CA-O 3.47Å; D88-K91 PolarHBondContact N-O 3.19Å; D88-K91 WeakPolarHBondContact O-CA 3.31Å; D88-K91 WeakPolarHBondContact O-CB 3.32Å; D88-K91 PolarHBondContact O-N 3.43Å; G89-K91 VanDerWaalsContact C-N 3.3Å; K91-V93 HydrophobicContact CB-CG2 4.25Å; K91-V106 HydrophobicContact CB-CG1 3.98Å; K91-V106 HydrophobicContact CD-CG1 3.77Å; K91-V106 HydrophobicContact CG-CG1 4.48Å; K91-R107 CarbonylContact C-O 3.53Å; K91-R107 VanDerWaalsContact CA-O 3.31Å; K91-R107 WeakPolarHBondContact CA-O 3.45Å; K91-E108 HydrophobicContact CD-CB 4.14Å; K91-E108 WeakPolarHBondContact CE-OE2 3.43Å; K91-E108 HydrophobicContact CG-CB 3.98Å; K91-E108 IonicContact NZ-OE1 3.11Å; K91-E108 IonicContact NZ-OE2 2.82Å; K91-E108 PolarHBondContact NZ-OE2 2.9Å
92	L	97.9	Very high	97.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	103.8	171	-171.3	71.9	0	0	0	108.2	V2 F5 L67 V85 L87 R107	V2-L92 HydrophobicContact CG2-CD1 4.15Å; F5-L92 HydrophobicContact CE1-CB 4.28Å; F5-L92 HydrophobicContact CE2-CB 4.26Å; F5-L92 HydrophobicContact CZ-CB 4.13Å; L67-L92 HydrophobicContact CD2-CD1 3.83Å; V85-L92 HydrophobicContact CG1-CD1 3.54Å; V85-L92 HydrophobicContact CG1-CD2 4.41Å; V85-L92 HydrophobicContact CG1-CG 3.73Å; L87-L92 HydrophobicContact CD1-CD1 4.39Å; L92-R107 HydrophobicContact CB-CB 4.24Å; L92-R107 PolarHBondContact N-O 2.72Å; L92-R107 PolarHBondContact O-N 3.34Å
93	V	98.6	Very high	97.5	Very high	26 Å²	26	52.9 Å²	52.9	16%	0.158	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	114.6	-173.2	179.8	0	0	0	0	108.7	V85 T86 D88 K91 V95 V106	V85-V93 CarbonylContact C-O 3.49Å; V85-V93 VanDerWaalsContact CA-O 3.25Å; V85-V93 WeakPolarHBondContact CA-O 3.3Å; T86-V93 PolarHBondContact N-O 3.29Å; T86-V93 PolarHBondContact O-N 2.69Å; D88-V93 HydrophobicContact CB-CG2 4.24Å; K91-V93 HydrophobicContact CB-CG2 4.25Å; V93-V95 HydrophobicContact CG1-CG2 3.99Å; V93-V106 HydrophobicContact CG1-CG2 4.28Å; V93-V106 HydrophobicContact CG2-CG1 4.3Å; V93-V106 HydrophobicContact CG2-CG2 4.38Å
94	H	98.8	Very high	97.5	Very high	3 Å²	3	54.4 Å²	54.4	1%	0.014	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	112.9	175.7	173.6	-170.3	0	0	0	109.3	E73 S83 V85 Q96 T104 L105	E73-H94 IonicContact OE1-CE1 3.61Å; E73-H94 IonicContact OE2-CE1 3Å; E73-H94 PolarHBondContact OE2-CE1 2.98Å; E73-H94 IonicContact OE2-NE2 3.6Å; E73-H94 PolarHBondContact OE2-NE2 2.84Å; S83-H94 PolarHBondContact OG-NE2 2.8Å; V85-H94 HydrophobicContact CG1-CB 4.4Å; V85-H94 HydrophobicContact CG2-CB 3.84Å; H94-Q96 PolarHBondContact CE1-NE2 2.95Å; H94-T104 WeakPolarHBondContact O-CA 3.21Å; H94-L105 HydrophobicContact CB-CB 4.1Å; H94-L105 WeakPolarHBondContact CB-O 3.41Å; H94-L105 PolarHBondContact N-O 2.68Å; H94-L105 PolarHBondContact O-N 3.38Å
95	V	98.8	Very high	97.5	Very high	31 Å²	31	53.7 Å²	53.7	19%	0.188	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	131.7	178.2	-175.2	0	0	0	0	108.7	S83 T84 V93 K97 E102 T104	S83-V95 VanDerWaalsContact CA-O 3.28Å; S83-V95 WeakPolarHBondContact CA-O 3.28Å; T84-V95 PolarHBondContact N-O 3.45Å; T84-V95 PolarHBondContact O-N 3.33Å; V93-V95 HydrophobicContact CG1-CG2 3.99Å; V95-K97 HydrophobicContact CG1-CG 4.26Å; V95-E102 HydrophobicContact CG1-CG 3.68Å; V95-T104 HydrophobicContact CG2-CG2 4.25Å
96	Q	98.9	Very high	97.5	Very high	6 Å²	6	55 Å²	55	3%	0.028	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130.4	175.6	-61.1	-177.7	-23.1	0	0	109.4	E73 V81 H94 W98 E102 T103 L105	E73-Q96 VanDerWaalsContact CD-NE2 3.28Å; E73-Q96 PolarHBondContact OE1-NE2 2.94Å; E73-Q96 PolarHBondContact OE2-NE2 2.91Å; E73-Q96 VanDerWaalsContact OE2-NE2 3.15Å; V81-Q96 HydrophobicContact CB-CB 4.18Å; V81-Q96 HydrophobicContact CG1-CB 4.42Å; V81-Q96 HydrophobicContact CG2-CB 3.96Å; V81-Q96 HydrophobicContact CG2-CG 4.05Å; H94-Q96 PolarHBondContact CE1-NE2 2.95Å; Q96-W98 HydrophobicContact CB-CZ3 4.44Å; Q96-E102 VanDerWaalsContact O-CA 3.3Å; Q96-E102 WeakPolarHBondContact O-CA 3.24Å; Q96-T103 HydrophobicContact CB-CG2 3.81Å; Q96-T103 HydrophobicContact CG-CG2 4.31Å; Q96-T103 PolarHBondContact N-O 2.99Å; Q96-T103 PolarHBondContact O-N 3.4Å; Q96-L105 HydrophobicContact CG-CD1 3.83Å
97	K	98.7	Very high	97.5	Very high	106 Å²	106	53 Å²	53	46%	0.461	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	135.3	179.9	-62.6	179.3	179.4	-172.5	0	111.7	V81 K82 V95 Q101 E102	V81-K97 WeakPolarHBondContact CA-O 3.2Å; K82-K97 PolarHBondContact N-O 3.23Å; K82-K97 PolarHBondContact O-N 3.38Å; V95-K97 HydrophobicContact CG1-CG 4.26Å; K97-Q101 WeakPolarHBondContact CA-O 3.49Å; K97-E102 WeakPolarHBondContact CE-OE2 3.24Å; K97-E102 HydrophobicContact CG-CB 4.41Å; K97-E102 HydrophobicContact CG-CG 4.13Å; K97-E102 IonicContact NZ-OE2 3.84Å
98	W	98.4	Very high	97.6	Very high	30 Å²	30	52.5 Å²	52.5	11%	0.114	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	142.2	175.3	69.1	100.7	0	0	0	110.1	L24 R79 V81 Q96 G100 Q101 T103 H120	L24-W98 HydrophobicContact CD2-CH2 3.67Å; L24-W98 HydrophobicContact CD2-CZ2 3.86Å; R79-W98 VanDerWaalsContact NH1-CE3 3.34Å; V81-W98 HydrophobicContact CB-CB 4.46Å; V81-W98 HydrophobicContact CG1-CB 3.99Å; V81-W98 HydrophobicContact CG1-CD2 4.06Å; V81-W98 HydrophobicContact CG1-CE3 3.78Å; V81-W98 HydrophobicContact CG1-CG 4.16Å; Q96-W98 HydrophobicContact CB-CZ3 4.44Å; W98-G100 PolarHBondContact O-N 3.2Å; W98-Q101 HydrophobicContact CD2-CB 4.16Å; W98-Q101 HydrophobicContact CH2-CB 4.12Å; W98-Q101 HydrophobicContact CZ2-CB 3.78Å; W98-Q101 VanDerWaalsContact CZ2-OE1 3.24Å; W98-Q101 HydrophobicContact CZ3-CB 4.46Å; W98-Q101 PolarHBondContact N-O 3Å; W98-Q101 VanDerWaalsContact N-O 3.07Å; W98-Q101 WeakPolarHBondContact O-CA 3.26Å; W98-Q101 WeakPolarHBondContact O-CB 3.09Å; W98-Q101 PolarHBondContact O-N 3.46Å; W98-T103 HydrophobicContact CH2-CG2 4.02Å; W98-T103 HydrophobicContact CZ3-CG2 3.77Å; W98-H120 AromaticContact CH2-CD2 3.8Å; W98-H120 AromaticContact CH2-NE2 3.88Å; W98-H120 AromaticContact CZ2-NE2 3.89Å
99	D	96.6	Very high	97.7	Very high	157 Å²	157	50.2 Å²	50.2	84%	0.84	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.5	36.8	171.6	-55.6	-32.4	0	0	0	115.2	Q101	D99-Q101 PolarHBondContact O-N 3.17Å
100	G	96.6	Very high	97.8	Very high	91 Å²	91	50.8 Å²	50.8	94%	0.938	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	1.3	-176.9	0	0	0	0	0	115.6	W98	W98-G100 PolarHBondContact O-N 3.2Å
101	Q	97.7	Very high	97.8	Very high	92 Å²	92	55.9 Å²	55.9	43%	0.43	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	159.6	173.2	-57.7	-168.7	6	0	0	112	K97 W98 D99 H120	K97-Q101 WeakPolarHBondContact CA-O 3.49Å; W98-Q101 HydrophobicContact CD2-CB 4.16Å; W98-Q101 HydrophobicContact CH2-CB 4.12Å; W98-Q101 HydrophobicContact CZ2-CB 3.78Å; W98-Q101 VanDerWaalsContact CZ2-OE1 3.24Å; W98-Q101 HydrophobicContact CZ3-CB 4.46Å; W98-Q101 PolarHBondContact N-O 3Å; W98-Q101 VanDerWaalsContact N-O 3.07Å; W98-Q101 WeakPolarHBondContact O-CA 3.26Å; W98-Q101 WeakPolarHBondContact O-CB 3.09Å; W98-Q101 PolarHBondContact O-N 3.46Å; D99-Q101 PolarHBondContact O-N 3.17Å; Q101-H120 PolarHBondContact OE1-NE2 3.35Å
102	E	98.3	Very high	97.6	Very high	92 Å²	92	55 Å²	55	43%	0.43	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	139.3	178	-175.2	177	132.8	0	0	110.5	V95 Q96 K97 H120	V95-E102 HydrophobicContact CG1-CG 3.68Å; Q96-E102 VanDerWaalsContact O-CA 3.3Å; Q96-E102 WeakPolarHBondContact O-CA 3.24Å; K97-E102 WeakPolarHBondContact CE-OE2 3.24Å; K97-E102 HydrophobicContact CG-CB 4.41Å; K97-E102 HydrophobicContact CG-CG 4.13Å; K97-E102 IonicContact NZ-OE2 3.84Å; E102-H120 PolarHBondContact O-CD2 2.87Å
103	T	98.8	Very high	97.5	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.006	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	151.8	163.7	-174.1	0	0	0	0	110.1	Y20 Q96 W98 L105 T119	Y20-T103 WeakPolarHBondContact CE2-OG1 3.33Å; Y20-T103 PolarHBondContact OH-OG1 2.83Å; Q96-T103 HydrophobicContact CB-CG2 3.81Å; Q96-T103 HydrophobicContact CG-CG2 4.31Å; Q96-T103 PolarHBondContact N-O 2.99Å; Q96-T103 PolarHBondContact O-N 3.4Å; W98-T103 HydrophobicContact CH2-CG2 4.02Å; W98-T103 HydrophobicContact CZ3-CG2 3.77Å; T103-L105 HydrophobicContact CG2-CD1 4.07Å; T103-T119 WeakPolarHBondContact CA-O 3.35Å; T103-T119 PolarHBondContact OG1-O 2.94Å
104	T	98.7	Very high	97.5	Very high	32 Å²	32	57.5 Å²	57.5	20%	0.196	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	138.4	175.6	61.4	0	0	0	0	110.9	H94 V95 L118 T119	H94-T104 WeakPolarHBondContact O-CA 3.21Å; V95-T104 HydrophobicContact CG2-CG2 4.25Å; T104-L118 WeakPolarHBondContact O-CA 3.34Å; T104-T119 PolarHBondContact N-O 2.72Å; T104-T119 PolarHBondContact O-N 3.07Å; T104-T119 WeakPolarHBondContact OG1-CB 3.31Å
105	L	98.8	Very high	97.5	Very high	22 Å²	22	58.6 Å²	58.6	12%	0.115	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	92.3	176.6	-58.2	90.8	0	0	0	107.4	H94 Q96 T103 L116 L118	H94-L105 HydrophobicContact CB-CB 4.1Å; H94-L105 WeakPolarHBondContact CB-O 3.41Å; H94-L105 PolarHBondContact N-O 2.68Å; H94-L105 PolarHBondContact O-N 3.38Å; Q96-L105 HydrophobicContact CG-CD1 3.83Å; T103-L105 HydrophobicContact CG2-CD1 4.07Å; L105-L116 HydrophobicContact CB-CD1 4.13Å; L105-L118 HydrophobicContact CB-CD2 3.82Å; L105-L118 HydrophobicContact CD2-CD2 3.52Å; L105-L118 HydrophobicContact CG-CD2 3.47Å; L105-L118 VanDerWaalsContact CG-CD2 3.47Å
106	V	98.7	Very high	97.5	Very high	28 Å²	28	57.6 Å²	57.6	17%	0.17	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	121.8	-175.6	-178.6	0	0	0	0	109.4	K91 V93 L116 T117	K91-V106 HydrophobicContact CB-CG1 3.98Å; K91-V106 HydrophobicContact CD-CG1 3.77Å; K91-V106 HydrophobicContact CG-CG1 4.48Å; V93-V106 HydrophobicContact CG1-CG2 4.28Å; V93-V106 HydrophobicContact CG2-CG1 4.3Å; V93-V106 HydrophobicContact CG2-CG2 4.38Å; V106-L116 CarbonylContact O-C 3.6Å; V106-L116 WeakPolarHBondContact O-CA 3.27Å; V106-T117 PolarHBondContact N-O 3Å; V106-T117 PolarHBondContact O-N 2.53Å
107	R	98.6	Very high	97.5	Very high	11 Å²	11	58.7 Å²	58.7	4%	0.042	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	129.1	173.9	-62.5	172.2	-179.4	78.1	-1.7	110	F5 K91 L92 L114 I115 L116	F5-R107 HydrophobicContact CD1-CB 4.36Å; F5-R107 HydrophobicContact CE1-CB 3.96Å; F5-R107 WeakPolarHBondContact CE1-O 3.48Å; K91-R107 CarbonylContact C-O 3.53Å; K91-R107 VanDerWaalsContact CA-O 3.31Å; K91-R107 WeakPolarHBondContact CA-O 3.45Å; L92-R107 HydrophobicContact CB-CB 4.24Å; L92-R107 PolarHBondContact N-O 2.72Å; L92-R107 PolarHBondContact O-N 3.34Å; R107-L114 HydrophobicContact CB-CD2 4.37Å; R107-L114 HydrophobicContact CB-CG 4.46Å; R107-L114 HydrophobicContact CG-CD2 4.11Å; R107-I115 CarbonylContact C-O 3.52Å; R107-I115 VanDerWaalsContact CA-O 3.3Å; R107-I115 WeakPolarHBondContact CA-O 3.48Å; R107-L116 HydrophobicContact CG-CB 4.46Å; R107-L116 HydrophobicContact CG-CD1 3.7Å
108	E	97.8	Very high	97.5	Very high	57 Å²	57	54 Å²	54	27%	0.266	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	151.6	172.9	66.2	-170	138.7	0	0	110.6	K91 I115	K91-E108 HydrophobicContact CD-CB 4.14Å; K91-E108 WeakPolarHBondContact CE-OE2 3.43Å; K91-E108 HydrophobicContact CG-CB 3.98Å; K91-E108 IonicContact NZ-OE1 3.11Å; K91-E108 IonicContact NZ-OE2 2.82Å; K91-E108 PolarHBondContact NZ-OE2 2.9Å; E108-I115 HydrophobicContact CG-CB 3.94Å; E108-I115 PolarHBondContact N-O 3.15Å; E108-I115 PolarHBondContact O-N 3.32Å
109	L	97.4	Very high	97.5	Very high	65 Å²	65	54.5 Å²	54.5	34%	0.34	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	124.5	175.3	-64.5	173.7	0	0	0	108.8	A4 F5 W9 K113 L114	A4-L109 HydrophobicContact CB-CD1 3.53Å; A4-L109 WeakPolarHBondContact O-CD1 3.39Å; F5-L109 HydrophobicContact CD1-CD1 4.35Å; F5-L109 HydrophobicContact CD1-CD2 4.16Å; F5-L109 HydrophobicContact CD1-CG 4.03Å; F5-L109 HydrophobicContact CE1-CD1 4.36Å; F5-L109 HydrophobicContact CE1-CD2 4.24Å; F5-L109 HydrophobicContact CE1-CG 3.77Å; F5-L109 HydrophobicContact CG-CD1 4.45Å; F5-L109 HydrophobicContact CZ-CD1 4.45Å; F5-L109 HydrophobicContact CZ-CG 4.13Å; W9-L109 HydrophobicContact CH2-CD2 3.55Å; W9-L109 HydrophobicContact CZ2-CD2 3.91Å; W9-L109 HydrophobicContact CZ3-CD2 4.3Å; L109-K113 CarbonylContact C-O 3.59Å; L109-K113 VanDerWaalsContact CA-O 3.3Å; L109-K113 WeakPolarHBondContact CA-O 3.33Å; L109-L114 HydrophobicContact CD2-CB 4.01Å; L109-L114 HydrophobicContact CD2-CG 4.46Å
110	N	95.2	Very high	97.6	Very high	91 Å²	91	48 Å²	48	49%	0.487	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	122.6	175.8	-169.2	4.6	0	0	0	109.3	G112 K113 I115	N110-G112 PolarHBondContact O-N 2.98Å; N110-G112 VanDerWaalsContact O-N 3.16Å; N110-K113 PolarHBondContact N-O 3.11Å; N110-K113 WeakPolarHBondContact O-CB 3.28Å; N110-K113 PolarHBondContact O-N 3.3Å; N110-I115 HydrophobicContact CB-CG1 4.06Å
111	D	92.8	Very high	97.6	Very high	154 Å²	154	47 Å²	47	82%	0.824	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	47	43.7	-178.9	-61.3	-34.3	0	0	0	114.2	K113	D111-K113 PolarHBondContact O-N 2.98Å
112	G	93	Very high	97.6	Very high	60 Å²	60	48.5 Å²	48.5	62%	0.619	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	0.4	-179.6	0	0	0	0	0	115.4	N110	N110-G112 PolarHBondContact O-N 2.98Å; N110-G112 VanDerWaalsContact O-N 3.16Å
113	K	97.5	Very high	97.6	Very high	78 Å²	78	45.8 Å²	45.8	34%	0.339	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	149.4	174.9	-52.3	-164.1	-172.9	-153.9	0	111	L109 N110 D111 I115 T128 Y129 E130	L109-K113 CarbonylContact C-O 3.59Å; L109-K113 VanDerWaalsContact CA-O 3.3Å; L109-K113 WeakPolarHBondContact CA-O 3.33Å; N110-K113 PolarHBondContact N-O 3.11Å; N110-K113 WeakPolarHBondContact O-CB 3.28Å; N110-K113 PolarHBondContact O-N 3.3Å; D111-K113 PolarHBondContact O-N 2.98Å; K113-I115 HydrophobicContact CB-CD1 4.19Å; K113-T128 HydrophobicContact CB-CG2 4.04Å; K113-T128 HydrophobicContact CD-CG2 3.68Å; K113-T128 HydrophobicContact CG-CG2 4.47Å; K113-Y129 WeakPolarHBondContact CA-O 3.18Å; K113-Y129 WeakPolarHBondContact CB-O 3.41Å; K113-E130 HydrophobicContact CD-CG 4.14Å; K113-E130 WeakPolarHBondContact CE-OE1 3.43Å; K113-E130 HydrophobicContact CG-CG 4.23Å; K113-E130 IonicContact NZ-OE1 3.86Å; K113-E130 PolarHBondContact NZ-OE1 3.04Å
114	L	98.5	Very high	97.6	Very high	1 Å²	1	49 Å²	49	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	112.6	170.5	-177.7	156	0	0	0	108.8	F5 W9 I43 R107 L109 L116 Y129	F5-L114 HydrophobicContact CD1-CD1 4.05Å; W9-L114 HydrophobicContact CD2-CB 3.79Å; W9-L114 HydrophobicContact CD2-CD1 3.84Å; W9-L114 HydrophobicContact CD2-CG 4.47Å; W9-L114 HydrophobicContact CE3-CB 3.48Å; W9-L114 VanDerWaalsContact CE3-CB 3.48Å; W9-L114 HydrophobicContact CE3-CD1 4.41Å; W9-L114 HydrophobicContact CG-CB 4.48Å; W9-L114 HydrophobicContact CG-CD1 4Å; W9-L114 HydrophobicContact CH2-CB 4.13Å; W9-L114 HydrophobicContact CZ2-CB 4.39Å; W9-L114 HydrophobicContact CZ2-CD1 4.29Å; W9-L114 HydrophobicContact CZ3-CB 3.66Å; I43-L114 HydrophobicContact CD1-CD1 4.06Å; R107-L114 HydrophobicContact CB-CD2 4.37Å; R107-L114 HydrophobicContact CB-CG 4.46Å; R107-L114 HydrophobicContact CG-CD2 4.11Å; L109-L114 HydrophobicContact CD2-CB 4.01Å; L109-L114 HydrophobicContact CD2-CG 4.46Å; L114-L116 HydrophobicContact CD2-CB 4.3Å; L114-Y129 HydrophobicContact CD2-CD2 4.07Å; L114-Y129 HydrophobicContact CD2-CG 4.39Å; L114-Y129 PolarHBondContact N-O 2.94Å; L114-Y129 PolarHBondContact O-N 3.39Å
115	I	98.5	Very high	97.6	Very high	26 Å²	26	47.5 Å²	47.5	13%	0.133	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	119	176.1	-48.7	-55.5	0	0	0	108	R107 E108 N110 K113 T126 T128	R107-I115 CarbonylContact C-O 3.52Å; R107-I115 VanDerWaalsContact CA-O 3.3Å; R107-I115 WeakPolarHBondContact CA-O 3.48Å; E108-I115 HydrophobicContact CG-CB 3.94Å; E108-I115 PolarHBondContact N-O 3.15Å; E108-I115 PolarHBondContact O-N 3.32Å; N110-I115 HydrophobicContact CB-CG1 4.06Å; K113-I115 HydrophobicContact CB-CD1 4.19Å; I115-T126 HydrophobicContact CG2-CG2 3.77Å; I115-T128 HydrophobicContact CD1-CG2 3.54Å
116	L	98.7	Very high	97.6	Very high	10 Å²	10	48.7 Å²	48.7	5%	0.052	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	113.2	175.1	171.9	63.2	0	0	0	109.1	L105 V106 R107 L114 L118 T126 R127 Y129	L105-L116 HydrophobicContact CB-CD1 4.13Å; V106-L116 CarbonylContact O-C 3.6Å; V106-L116 WeakPolarHBondContact O-CA 3.27Å; R107-L116 HydrophobicContact CG-CB 4.46Å; R107-L116 HydrophobicContact CG-CD1 3.7Å; L114-L116 HydrophobicContact CD2-CB 4.3Å; L116-L118 HydrophobicContact CD1-CD2 3.69Å; L116-L118 HydrophobicContact CD1-CG 4.45Å; L116-L118 HydrophobicContact CD2-CD2 3.99Å; L116-L118 HydrophobicContact CD2-CG 4.39Å; L116-L118 HydrophobicContact CG-CD2 3.77Å; L116-L118 HydrophobicContact CG-CG 4.07Å; L116-T126 WeakPolarHBondContact O-CA 3.49Å; L116-R127 HydrophobicContact CB-CB 4.24Å; L116-R127 PolarHBondContact N-O 2.73Å; L116-R127 PolarHBondContact O-N 3.24Å; L116-Y129 HydrophobicContact CB-CE2 4.29Å; L116-Y129 HydrophobicContact CD2-CE2 4.14Å
117	T	98.8	Very high	97.6	Very high	28 Å²	28	47.8 Å²	47.8	17%	0.172	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	122.6	173.1	-59.3	0	0	0	0	109.2	V106 V124 C125	V106-T117 PolarHBondContact N-O 3Å; V106-T117 PolarHBondContact O-N 2.53Å; T117-V124 HydrophobicContact CG2-CG1 3.75Å; T117-C125 CarbonylContact C-O 3.57Å; T117-C125 WeakPolarHBondContact CA-O 3.5Å
118	L	98.8	Very high	97.6	Very high	7 Å²	7	48.1 Å²	48.1	4%	0.037	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	124.6	-179.3	-55.4	175.3	0	0	0	108.9	F17 Y20 T104 L105 L116 V124 C125	F17-L118 HydrophobicContact CD2-CD1 4.03Å; F17-L118 HydrophobicContact CE2-CD1 3.89Å; Y20-L118 HydrophobicContact CD1-CB 4.22Å; Y20-L118 HydrophobicContact CD1-CD1 3.91Å; Y20-L118 HydrophobicContact CD2-CB 3.79Å; Y20-L118 HydrophobicContact CE1-CB 4.09Å; Y20-L118 HydrophobicContact CE1-CD1 3.86Å; Y20-L118 HydrophobicContact CE1-CG 4.47Å; Y20-L118 HydrophobicContact CE2-CB 3.65Å; Y20-L118 HydrophobicContact CG-CB 4.08Å; Y20-L118 HydrophobicContact CG-CD1 4.46Å; T104-L118 WeakPolarHBondContact O-CA 3.34Å; L105-L118 HydrophobicContact CB-CD2 3.82Å; L105-L118 HydrophobicContact CD2-CD2 3.52Å; L105-L118 HydrophobicContact CG-CD2 3.47Å; L105-L118 VanDerWaalsContact CG-CD2 3.47Å; L116-L118 HydrophobicContact CD1-CD2 3.69Å; L116-L118 HydrophobicContact CD1-CG 4.45Å; L116-L118 HydrophobicContact CD2-CD2 3.99Å; L116-L118 HydrophobicContact CD2-CG 4.39Å; L116-L118 HydrophobicContact CG-CD2 3.77Å; L116-L118 HydrophobicContact CG-CG 4.07Å; L118-V124 WeakPolarHBondContact O-CA 3.37Å; L118-C125 HydrophobicContact CB-CB 4.1Å; L118-C125 PolarHBondContact N-O 3.15Å; L118-C125 PolarHBondContact O-N 3.46Å
119	T	98.8	Very high	97.7	Very high	42 Å²	42	45.7 Å²	45.7	26%	0.258	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	121.2	-177.2	-53.7	0	0	0	0	111.3	T103 T104 V123 V124	T103-T119 WeakPolarHBondContact CA-O 3.35Å; T103-T119 PolarHBondContact OG1-O 2.94Å; T104-T119 PolarHBondContact N-O 2.72Å; T104-T119 PolarHBondContact O-N 3.07Å; T104-T119 WeakPolarHBondContact OG1-CB 3.31Å; T119-V123 WeakPolarHBondContact CA-O 3.38Å; T119-V124 HydrophobicContact CG2-CG2 4.16Å
120	H	98.6	Very high	97.7	Very high	21 Å²	21	46.5 Å²	46.5	10%	0.097	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	121.2	172.2	177.2	-111.7	0	0	0	109.7	Y20 S23 L24 W98 Q101 E102 S122 V123	Y20-H120 HydrophobicContact CD2-CB 4.08Å; Y20-H120 HydrophobicContact CE2-CB 3.68Å; S23-H120 WeakPolarHBondContact CB-ND1 3.39Å; S23-H120 PolarHBondContact O-CE1 2.86Å; S23-H120 PolarHBondContact O-ND1 2.87Å; S23-H120 PolarHBondContact OG-ND1 2.92Å; L24-H120 HydrophobicContact CD2-CB 4.09Å; W98-H120 AromaticContact CH2-CD2 3.8Å; W98-H120 AromaticContact CH2-NE2 3.88Å; W98-H120 AromaticContact CZ2-NE2 3.89Å; Q101-H120 PolarHBondContact OE1-NE2 3.35Å; E102-H120 PolarHBondContact O-CD2 2.87Å; H120-S122 PolarHBondContact O-N 3.42Å; H120-V123 PolarHBondContact N-O 3.13Å; H120-V123 VanDerWaalsContact N-O 3.08Å; H120-V123 PolarHBondContact O-N 3.2Å
121	G	96.7	Very high	97.8	Very high	70 Å²	70	47.4 Å²	47.4	72%	0.722	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	-125.8	-169.5	0	0	0	0	0	111.6
122	S	97.4	Very high	97.8	Very high	123 Å²	123	44.1 Å²	44.1	86%	0.86	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-2	174.6	57.4	0	0	0	0	114	H120	H120-S122 PolarHBondContact O-N 3.42Å
123	V	98.4	Very high	97.2	Very high	34 Å²	34	49.4 Å²	49.4	21%	0.206	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	128.5	-175.3	-178.7	0	0	0	0	110.1	D19 T119 H120	D19-V123 HydrophobicContact CB-CG1 3.84Å; T119-V123 WeakPolarHBondContact CA-O 3.38Å; H120-V123 PolarHBondContact N-O 3.13Å; H120-V123 VanDerWaalsContact N-O 3.08Å; H120-V123 PolarHBondContact O-N 3.2Å
124	V	98.7	Very high	97.2	Very high	69 Å²	69	48 Å²	48	42%	0.418	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	127.7	176.1	-176	0	0	0	0	109.3	N16 T117 L118 T119	N16-V124 WeakPolarHBondContact CB-O 3.17Å; N16-V124 PolarHBondContact ND2-O 2.82Å; T117-V124 HydrophobicContact CG2-CG1 3.75Å; L118-V124 WeakPolarHBondContact O-CA 3.37Å; T119-V124 HydrophobicContact CG2-CG2 4.16Å
125	C	98.7	Very high	97.2	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.007	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	143	173.8	160.9	0	0	0	0	109.4	K15 N16 F17 Y20 T117 L118	K15-C125 WeakPolarHBondContact O-CA 3.33Å; K15-C125 PolarHBondContact O-SG 2.81Å; N16-C125 HydrophobicContact CB-CB 4.44Å; F17-C125 VanDerWaalsContact CA-SG 3.6Å; Y20-C125 HydrophobicContact CG-CB 4.22Å; T117-C125 CarbonylContact C-O 3.57Å; T117-C125 WeakPolarHBondContact CA-O 3.5Å; L118-C125 HydrophobicContact CB-CB 4.1Å; L118-C125 PolarHBondContact N-O 3.15Å; L118-C125 PolarHBondContact O-N 3.46Å
126	T	98.7	Very high	97.1	Very high	47 Å²	47	51.8 Å²	51.8	29%	0.288	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	128.8	176.3	-54.5	0	0	0	0	109.4	K15 I115 L116	K15-T126 PolarHBondContact N-O 3.46Å; K15-T126 PolarHBondContact O-N 2.88Å; K15-T126 VanDerWaalsContact O-N 3.1Å; I115-T126 HydrophobicContact CG2-CG2 3.77Å; L116-T126 WeakPolarHBondContact O-CA 3.49Å
127	R	98.6	Very high	97	Very high	8 Å²	8	54.2 Å²	54.2	3%	0.03	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	129.6	179.1	-67.2	178.5	66.4	88.4	-14.6	109.3	L11 D13 S14 P39 L116 Y129	L11-R127 HydrophobicContact CD1-CB 3.78Å; L11-R127 HydrophobicContact CD1-CG 4.26Å; L11-R127 VanDerWaalsContact CD1-CZ 3.5Å; D13-R127 WeakPolarHBondContact O-CA 3.47Å; S14-R127 PolarHBondContact OG-NH1 2.81Å; P39-R127 VanDerWaalsContact CG-NH2 3.31Å; L116-R127 HydrophobicContact CB-CB 4.24Å; L116-R127 PolarHBondContact N-O 2.73Å; L116-R127 PolarHBondContact O-N 3.24Å; R127-Y129 HydrophobicContact CB-CD2 4.5Å; R127-Y129 HydrophobicContact CB-CE2 3.85Å; R127-Y129 PolarHBondContact NE-OH 3.13Å
128	T	98.6	Very high	96.9	Very high	18 Å²	18	55.9 Å²	55.9	11%	0.11	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	131.5	-178.6	-53.4	0	0	0	0	109.5	V12 D13 K113 I115	V12-T128 HydrophobicContact CG2-CG2 3.98Å; V12-T128 WeakPolarHBondContact CG2-O 3.25Å; V12-T128 PolarHBondContact N-O 3.37Å; D13-T128 PolarHBondContact N-O 2.82Å; D13-T128 PolarHBondContact O-N 3.04Å; K113-T128 HydrophobicContact CB-CG2 4.04Å; K113-T128 HydrophobicContact CD-CG2 3.68Å; K113-T128 HydrophobicContact CG-CG2 4.47Å; I115-T128 HydrophobicContact CD1-CG2 3.54Å
129	Y	98.6	Very high	96.8	Very high	7 Å²	7	59.1 Å²	59.1	3%	0.027	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	144.4	177.4	-66.4	-110.7	0	0	0	110.9	W9 K10 L11 K113 L114 L116 R127	W9-Y129 HydrophobicContact CB-CD1 4.12Å; W9-Y129 HydrophobicContact CB-CG 4.39Å; K10-Y129 VanDerWaalsContact C-CD1 3.41Å; K10-Y129 CarbonylContact O-C 3.56Å; K10-Y129 WeakPolarHBondContact O-CA 3.34Å; L11-Y129 HydrophobicContact CB-CD1 4.08Å; L11-Y129 HydrophobicContact CB-CE1 3.76Å; L11-Y129 HydrophobicContact CD1-CD2 3.96Å; L11-Y129 HydrophobicContact CD1-CE1 4.08Å; L11-Y129 HydrophobicContact CD1-CE2 3.46Å; L11-Y129 VanDerWaalsContact CD1-CE2 3.46Å; L11-Y129 HydrophobicContact CD1-CG 4.44Å; K113-Y129 WeakPolarHBondContact CA-O 3.18Å; K113-Y129 WeakPolarHBondContact CB-O 3.41Å; L114-Y129 HydrophobicContact CD2-CD2 4.07Å; L114-Y129 HydrophobicContact CD2-CG 4.39Å; L114-Y129 PolarHBondContact N-O 2.94Å; L114-Y129 PolarHBondContact O-N 3.39Å; L116-Y129 HydrophobicContact CB-CE2 4.29Å; L116-Y129 HydrophobicContact CD2-CE2 4.14Å; R127-Y129 HydrophobicContact CB-CD2 4.5Å; R127-Y129 HydrophobicContact CB-CE2 3.85Å; R127-Y129 PolarHBondContact NE-OH 3.13Å
130	E	98	Very high	96.6	Very high	81 Å²	81	60.4 Å²	60.4	38%	0.379	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	145	173.1	-75.4	176.3	-176.9	0	0	110.4	W9 K10 V12 K113 E132	W9-E130 CarbonylContact C-O 3.6Å; W9-E130 WeakPolarHBondContact CA-O 3.49Å; K10-E130 PolarHBondContact N-O 3.07Å; K10-E130 PolarHBondContact O-N 3.18Å; V12-E130 HydrophobicContact CG1-CB 3.99Å; V12-E130 HydrophobicContact CG1-CG 3.97Å; V12-E130 HydrophobicContact CG2-CG 3.85Å; K113-E130 HydrophobicContact CD-CG 4.14Å; K113-E130 WeakPolarHBondContact CE-OE1 3.43Å; K113-E130 HydrophobicContact CG-CG 4.23Å; K113-E130 IonicContact NZ-OE1 3.86Å; K113-E130 PolarHBondContact NZ-OE1 3.04Å; E130-E132 PolarHBondContact O-N 2.95Å
131	K	97.2	Very high	96.5	Very high	111 Å²	111	63.4 Å²	63.4	48%	0.483	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	129.5	-179.8	-159.9	167.1	-171.2	163.9	0	109.3	V6 T8 W9	V6-K131 PolarHBondContact O-NZ 2.95Å; T8-K131 CarbonylContact O-C 3.48Å; T8-K131 WeakPolarHBondContact O-CA 3.5Å; W9-K131 HydrophobicContact CD2-CB 4.49Å; W9-K131 HydrophobicContact CE3-CB 3.92Å; W9-K131 HydrophobicContact CE3-CG 4.44Å; W9-K131 HydrophobicContact CH2-CB 4.08Å; W9-K131 HydrophobicContact CH2-CD 4.1Å; W9-K131 HydrophobicContact CH2-CG 4.28Å; W9-K131 HydrophobicContact CZ2-CD 4.18Å; W9-K131 HydrophobicContact CZ2-CG 4.39Å; W9-K131 HydrophobicContact CZ3-CB 3.69Å; W9-K131 HydrophobicContact CZ3-CG 4.31Å
132	E	93.4	Very high	96.5	Very high	85 Å²	85	62.8 Å²	62.8	40%	0.397	38%	0.384	S	S	.	.			trans	-70.8	133.2	168.8	-172.9	172.8	-129.1	0	0	108.8	T8 K10 E130	T8-E132 HydrophobicContact CG2-CB 4.02Å; T8-E132 WeakPolarHBondContact CG2-OE2 3.41Å; T8-E132 PolarHBondContact O-N 2.92Å; K10-E132 VanDerWaalsContact CE-CD 3.49Å; K10-E132 WeakPolarHBondContact CE-OE1 3.23Å; K10-E132 IonicContact NZ-OE1 3.72Å; K10-E132 PolarHBondContact NZ-OE1 2.71Å; E130-E132 PolarHBondContact O-N 2.95Å
133	A	81.4	Confident	96.4	Very high	170 Å²	170	57.4 Å²	57.4	100%	1.405	34%	0.341	S	S	*	.			trans	-71.3	0	-179.1	0	0	0	0	0	112.4

Retrieved 133 of 133 residues in 347.9 ms (Link to these results)

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