A0A077ZK62_TRITR Loading...

Major sperm protein

Central component in molecular interactions underlying sperm crawling. Forms an extensive filament system that extends from sperm villipoda, along the leading edge of the pseudopod.

AlphaFold DB , UniProt , Accession A0A077ZK62, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 123 aa.

						>A0A077ZK62_TRITR|A0A077ZK62
MALPADIATDPGSELWLNGPCLTDQTTAMKLTNGGDKLIAWRVNPSVETRYVMNPKEGALPARGTIMVGIVCHPFPFRPDAPNIDTLTIEWCEAPEGQTVYDAEWFVKGLVVRRKPMNVNFNP
					

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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	63	Low	89.8	Confident	180 Å²	180	66 Å²	66	89%	0.887	39%	0.391	S	S	*	.				0	122.1	0	-165	175.5	-79.6	0	0	106.6	V111	M1-V111 HydrophobicContact CG-CG2 4.38Å; M1-V111 HydrophobicContact SD-CG2 3.83Å
2	A	75.2	Confident	90.2	Very high	73 Å²	73	63.5 Å²	63.5	60%	0.603	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-71.3	149.4	178.5	0	0	0	0	0	109.7
3	L	84.8	Confident	90.5	Very high	121 Å²	121	64.2 Å²	64.2	63%	0.634	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-66.7	137.7	171.1	-69	173.7	0	0	0	108.8	V111	L3-V111 HydrophobicContact CD2-CG1 3.75Å
4	P	88.5	Confident	90.9	Very high	3 Å²	3	65.5 Å²	65.5	2%	0.019	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-50.2	143.1	168.6	-26.1	32.9	0	0	0	110.9	E93 V111 R113	P4-E93 HydrophobicContact CB-CG 3.8Å; P4-E93 HydrophobicContact CG-CG 4.08Å; P4-V111 VanDerWaalsContact CG-O 3.32Å; P4-V111 WeakPolarHBondContact CG-O 3.29Å; P4-R113 HydrophobicContact CB-CG 4.26Å; P4-R113 HydrophobicContact CG-CG 4.17Å; P4-R113 WeakPolarHBondContact O-CD 3.38Å; P4-R113 PolarHBondContact O-NH1 2.7Å
5	A	93.5	Very high	91.3	Very high	30 Å²	30	61.5 Å²	61.5	25%	0.248	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-56.4	155.9	172.3	0	0	0	0	0	111.5	W91	A5-W91 PolarHBondContact O-NE1 2.99Å
6	D	95.2	Very high	91.6	Very high	94 Å²	94	65.7 Å²	65.7	50%	0.503	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-68.5	149.7	175.5	-88.2	-57.9	0	0	0	112.3	G34 R113	D6-G34 VanDerWaalsContact O-CA 3.27Å; D6-G34 WeakPolarHBondContact O-CA 3.47Å; D6-G34 PolarHBondContact O-N 2.68Å; D6-G34 VanDerWaalsContact O-N 3.1Å; D6-R113 VanDerWaalsContact CG-CZ 3.46Å; D6-R113 IonicContact OD1-CZ 3.09Å; D6-R113 IonicContact OD1-NE 2.59Å; D6-R113 IonicContact OD1-NH1 2.69Å; D6-R113 PolarHBondContact OD1-NH1 2.78Å; D6-R113 IonicContact OD1-NH2 2.67Å; D6-R113 PolarHBondContact OD1-NH2 2.78Å; D6-R113 IonicContact OD2-CZ 3.25Å; D6-R113 IonicContact OD2-NH1 3.25Å; D6-R113 PolarHBondContact OD2-NH1 3.43Å; D6-R113 IonicContact OD2-NH2 2.67Å; D6-R113 PolarHBondContact OD2-NH2 3.02Å
7	I	97.4	Very high	91.9	Very high	12 Å²	12	62.2 Å²	62.2	6%	0.062	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	146	169.2	57.5	162.9	0	0	0	110.3	T9 L31 T32 I39 I89 W91	I7-T9 HydrophobicContact CD1-CG2 4.43Å; I7-L31 HydrophobicContact CB-CD1 3.88Å; I7-L31 HydrophobicContact CD1-CD1 3.41Å; I7-L31 VanDerWaalsContact CD1-CD1 3.41Å; I7-L31 HydrophobicContact CG1-CD1 4.16Å; I7-L31 HydrophobicContact CG2-CD1 4.31Å; I7-T32 WeakPolarHBondContact CA-O 3.41Å; I7-I39 HydrophobicContact CG2-CD1 3.71Å; I7-I89 HydrophobicContact CD1-CB 4.07Å; I7-I89 HydrophobicContact CD1-CG2 3.42Å; I7-I89 VanDerWaalsContact CD1-CG2 3.42Å; I7-W91 HydrophobicContact CD1-CD2 3.98Å; I7-W91 HydrophobicContact CD1-CE3 3.46Å; I7-W91 VanDerWaalsContact CD1-CE3 3.46Å; I7-W91 HydrophobicContact CD1-CH2 4.11Å; I7-W91 HydrophobicContact CD1-CZ3 3.54Å; I7-W91 HydrophobicContact CG1-CD2 3.95Å; I7-W91 HydrophobicContact CG1-CE3 3.79Å; I7-W91 HydrophobicContact CG1-CH2 3.67Å; I7-W91 HydrophobicContact CG1-CZ2 3.8Å; I7-W91 HydrophobicContact CG1-CZ3 3.66Å; I7-W91 HydrophobicContact CG2-CD2 3.95Å; I7-W91 HydrophobicContact CG2-CG 4.01Å; I7-W91 HydrophobicContact CG2-CZ2 4.49Å
8	A	97.7	Very high	91.9	Very high	53 Å²	53	64 Å²	64	44%	0.438	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	144	166.9	0	0	0	0	0	109.7	T32	A8-T32 PolarHBondContact N-O 2.88Å; A8-T32 PolarHBondContact O-N 3.43Å
9	T	98.2	Very high	91.8	Very high	16 Å²	16	61.5 Å²	61.5	10%	0.098	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	143.5	173.1	52.2	0	0	0	0	109	I7 P11 G12 M29 K30 L31 K115	I7-T9 HydrophobicContact CD1-CG2 4.43Å; T9-P11 CarbonylContact C-O 3.54Å; T9-P11 WeakPolarHBondContact CB-O 3.26Å; T9-P11 CarbonylContact O-C 3.54Å; T9-P11 PolarHBondContact OG1-O 2.66Å; T9-G12 WeakPolarHBondContact O-CA 3.27Å; T9-G12 PolarHBondContact OG1-O 3.47Å; T9-M29 HydrophobicContact CG2-CG 4.43Å; T9-M29 HydrophobicContact CG2-SD 3.77Å; T9-K30 CarbonylContact C-O 3.57Å; T9-K30 WeakPolarHBondContact CA-O 3.44Å; T9-L31 HydrophobicContact CG2-CD1 3.91Å; T9-K115 HydrophobicContact CG2-CD 4.46Å; T9-K115 PolarHBondContact OG1-NZ 2.83Å
10	D	97.7	Very high	91.6	Very high	108 Å²	108	62.8 Å²	62.8	58%	0.578	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.2	111.8	169.6	-179.2	22.7	0	0	0	107.9	M29 K30	D10-M29 CarbonylContact O-C 3.12Å; D10-M29 WeakPolarHBondContact O-CA 3.07Å; D10-K30 HydrophobicContact CB-CB 4.09Å; D10-K30 PolarHBondContact N-O 2.89Å; D10-K30 PolarHBondContact O-N 3.18Å
11	P	96.6	Very high	91.6	Very high	36 Å²	36	59.9 Å²	59.9	23%	0.234	35%	0.351	C	S	.	.	S	Bend	cis	-68.1	163.1	5.1	32.3	-37.5	0	0	0	113.2	T9 E14 L15 M117	T9-P11 CarbonylContact C-O 3.54Å; T9-P11 WeakPolarHBondContact CB-O 3.26Å; T9-P11 CarbonylContact O-C 3.54Å; T9-P11 PolarHBondContact OG1-O 2.66Å; P11-E14 VanDerWaalsContact CB-O 3.25Å; P11-E14 WeakPolarHBondContact CB-O 3.42Å; P11-E14 WeakPolarHBondContact CG-O 3.47Å; P11-L15 HydrophobicContact CG-CB 4.47Å; P11-L15 HydrophobicContact CG-CD1 3.84Å; P11-M117 HydrophobicContact CG-CE 4.41Å; P11-M117 WeakPolarHBondContact O-CE 3.32Å
12	G	94.9	Very high	93.1	Very high	36 Å²	36	57.6 Å²	57.6	37%	0.371	34%	0.342	S	S	.	.			trans	-66.8	-91.8	-170.3	0	0	0	0	0	114.4	T9 M117	T9-G12 WeakPolarHBondContact O-CA 3.27Å; T9-G12 PolarHBondContact OG1-O 3.47Å; G12-M117 WeakPolarHBondContact O-CE 3.25Å
13	S	93.8	Very high	94.1	Very high	73 Å²	73	58.9 Å²	58.9	51%	0.51	34%	0.342	S	S	.	.	S	Bend	trans	-108.3	-2.5	-178.6	52.7	0	0	0	0	113.6	M117 N118	S13-M117 CarbonylContact O-C 3.57Å; S13-M117 VanDerWaalsContact O-CA 3.32Å; S13-M117 WeakPolarHBondContact O-CA 3.48Å; S13-N118 PolarHBondContact O-N 3.5Å
14	E	96.5	Very high	94.7	Very high	82 Å²	82	57.3 Å²	57.3	38%	0.383	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	135.4	-175.5	-60.8	-172.9	166.6	0	0	110.1	P11 W16 N118	P11-E14 VanDerWaalsContact CB-O 3.25Å; P11-E14 WeakPolarHBondContact CB-O 3.42Å; P11-E14 WeakPolarHBondContact CG-O 3.47Å; E14-W16 PolarHBondContact OE2-NE1 2.76Å; E14-W16 VanDerWaalsContact OE2-NE1 3.09Å; E14-N118 CarbonylContact C-O 3.48Å; E14-N118 WeakPolarHBondContact CA-O 3.44Å
15	L	96.9	Very high	95.1	Very high	5 Å²	5	58.8 Å²	58.8	3%	0.026	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	125.4	170.4	178.2	65.2	0	0	0	108	P11 T27 I70 L87 M117 N118 V119 N120	P11-L15 HydrophobicContact CG-CB 4.47Å; P11-L15 HydrophobicContact CG-CD1 3.84Å; L15-T27 HydrophobicContact CD1-CG2 3.86Å; L15-T27 HydrophobicContact CD2-CG2 3.95Å; L15-T27 HydrophobicContact CG-CG2 4.38Å; L15-I70 HydrophobicContact CD2-CD1 3.97Å; L15-I70 HydrophobicContact CD2-CG2 4.42Å; L15-L87 HydrophobicContact CD2-CD1 4.24Å; L15-M117 HydrophobicContact CB-CG 4.26Å; L15-M117 HydrophobicContact CB-SD 3.92Å; L15-N118 PolarHBondContact N-O 3.01Å; L15-V119 HydrophobicContact CB-CG2 4.43Å; L15-V119 HydrophobicContact CD2-CG1 4.25Å; L15-V119 HydrophobicContact CD2-CG2 4.31Å; L15-V119 HydrophobicContact CG-CG1 4.46Å; L15-V119 CarbonylContact O-C 3.55Å; L15-V119 WeakPolarHBondContact O-CA 3.37Å; L15-N120 PolarHBondContact O-N 2.79Å
16	W	96.3	Very high	95.3	Very high	129 Å²	129	62.6 Å²	62.6	49%	0.489	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	125.4	178.3	-73.6	84.6	0	0	0	110.2	E14 N120 N122	E14-W16 PolarHBondContact OE2-NE1 2.76Å; E14-W16 VanDerWaalsContact OE2-NE1 3.09Å; W16-N120 WeakPolarHBondContact CA-O 3.2Å; W16-N120 HydrophobicContact CD2-CB 3.6Å; W16-N120 HydrophobicContact CE3-CB 3.51Å; W16-N120 HydrophobicContact CG-CB 4.3Å; W16-N120 HydrophobicContact CH2-CB 3.82Å; W16-N120 HydrophobicContact CZ2-CB 3.87Å; W16-N120 HydrophobicContact CZ3-CB 3.64Å; W16-N122 WeakPolarHBondContact CZ3-OD1 3.44Å
17	L	95.8	Very high	95.4	Very high	7 Å²	7	60.2 Å²	60.2	4%	0.037	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	170.4	171.4	-61.9	178	0	0	0	109.3	T27 Y51 C72 V119 N120 F121 N122	L17-T27 HydrophobicContact CD2-CG2 3.88Å; L17-Y51 HydrophobicContact CD1-CE1 4.28Å; L17-C72 HydrophobicContact CD1-CB 3.62Å; L17-V119 HydrophobicContact CD1-CG1 3.81Å; L17-V119 HydrophobicContact CG-CG1 4.19Å; L17-N120 PolarHBondContact N-O 3.33Å; L17-F121 HydrophobicContact CB-CD1 3.78Å; L17-F121 HydrophobicContact CB-CE1 3.87Å; L17-F121 HydrophobicContact CD1-CE1 3.81Å; L17-F121 HydrophobicContact CD1-CZ 4.21Å; L17-F121 HydrophobicContact CG-CE1 4.46Å; L17-F121 CarbonylContact O-C 3.53Å; L17-F121 VanDerWaalsContact O-CA 3.32Å; L17-F121 WeakPolarHBondContact O-CA 3.49Å; L17-N122 PolarHBondContact O-N 3.05Å
18	N	92.7	Very high	95.4	Very high	94 Å²	94	61.4 Å²	61.4	50%	0.503	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	134.5	-178.6	-61.3	-54	0	0	0	111.2	Q25 N122	N18-Q25 PolarHBondContact O-NE2 2.76Å; N18-Q25 PolarHBondContact O-OE1 3.1Å; N18-Q25 VanDerWaalsContact O-OE1 3.07Å; N18-N122 PolarHBondContact OD1-ND2 2.93Å; N18-N122 VanDerWaalsContact OD1-ND2 3.16Å
19	G	88.6	Confident	95.4	Very high	17 Å²	17	58.9 Å²	58.9	18%	0.175	34%	0.341	C	S	.	.	S	Bend	trans	-80.1	161.7	163.5	0	0	0	0	0	111.1	N122	G19-N122 WeakPolarHBondContact CA-O 3.32Å; G19-N122 PolarHBondContact N-O 2.81Å
20	P	87.8	Confident	95.4	Very high	87 Å²	87	62.2 Å²	62.2	57%	0.565	35%	0.354	S	S	*	.			cis	-75.4	144.9	-8.3	33.2	-35.8	0	0	0	111.8	L22	P20-L22 HydrophobicContact CB-CD1 4.24Å; P20-L22 HydrophobicContact CB-CD2 4.46Å; P20-L22 HydrophobicContact CB-CG 3.94Å; P20-L22 HydrophobicContact CG-CD1 3.89Å; P20-L22 HydrophobicContact CG-CG 4.02Å; P20-L22 PolarHBondContact O-N 2.83Å
21	C	92.2	Very high	95.4	Very high	2 Å²	2	57 Å²	57	1%	0.014	33%	0.327	C	S	.	.			trans	-82.9	60.5	-176.1	-59.8	0	0	0	0	112.2	P74 F75 F77 F121	C21-P74 WeakPolarHBondContact O-CA 3.32Å; C21-P74 WeakPolarHBondContact O-CB 3.45Å; C21-F75 HydrophobicContact CB-CD1 3.6Å; C21-F75 HydrophobicContact CB-CE1 3.49Å; C21-F75 VanDerWaalsContact CB-CE1 3.49Å; C21-F75 HydrophobicContact CB-CG 4.42Å; C21-F75 HydrophobicContact CB-CZ 4.25Å; C21-F75 PolarHBondContact O-N 2.88Å; C21-F75 WeakPolarHBondContact SG-CE1 3.17Å; C21-F77 HydrophobicContact CB-CB 4.05Å; C21-F121 WeakPolarHBondContact SG-CD1 3.16Å; C21-F121 WeakPolarHBondContact SG-CE1 3.41Å
22	L	94.8	Very high	95.5	Very high	132 Å²	132	57 Å²	57	69%	0.691	33%	0.326	S	S	*	.			trans	-91.2	-18.3	-175.3	-57.3	179.6	0	0	0	113.8	P20	P20-L22 HydrophobicContact CB-CD1 4.24Å; P20-L22 HydrophobicContact CB-CD2 4.46Å; P20-L22 HydrophobicContact CB-CG 3.94Å; P20-L22 HydrophobicContact CG-CD1 3.89Å; P20-L22 HydrophobicContact CG-CG 4.02Å; P20-L22 PolarHBondContact O-N 2.83Å
23	T	95.8	Very high	95.7	Very high	99 Å²	99	55.3 Å²	55.3	61%	0.607	31%	0.308	S	S	*	.	S	Bend	trans	-132.2	163.2	179.2	59.8	0	0	0	0	109.9	Q25	T23-Q25 PolarHBondContact O-N 3.48Å
24	D	97.7	Very high	95.8	Very high	88 Å²	88	53.4 Å²	53.4	47%	0.471	30%	0.3	S	S	.	.			trans	-54.8	132.7	169.7	-75.3	-21.3	0	0	0	109.5	V71 C72 H73 P74	D24-V71 HydrophobicContact CB-CG1 4.17Å; D24-C72 WeakPolarHBondContact CA-O 3.4Å; D24-H73 WeakPolarHBondContact OD1-CA 3.23Å; D24-H73 IonicContact OD1-CE1 3.71Å; D24-H73 IonicContact OD1-CG 3.47Å; D24-H73 IonicContact OD1-ND1 2.66Å; D24-H73 PolarHBondContact OD1-ND1 2.94Å; D24-P74 WeakPolarHBondContact OD1-CD 3.04Å
25	Q	97.3	Very high	95.7	Very high	34 Å²	34	49.8 Å²	49.8	16%	0.159	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128.5	171	-68	-176.8	70.6	0	0	108.7	N18 T23 V71 C72	N18-Q25 PolarHBondContact O-NE2 2.76Å; N18-Q25 PolarHBondContact O-OE1 3.1Å; N18-Q25 VanDerWaalsContact O-OE1 3.07Å; T23-Q25 PolarHBondContact O-N 3.48Å; Q25-V71 CarbonylContact O-C 3.54Å; Q25-V71 WeakPolarHBondContact O-CA 3.36Å; Q25-C72 HydrophobicContact CB-CB 4.39Å; Q25-C72 PolarHBondContact N-O 2.92Å; Q25-C72 PolarHBondContact O-N 2.78Å
26	T	96.9	Very high	95.6	Very high	111 Å²	111	55.2 Å²	55.2	68%	0.681	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.5	130.7	178.6	-57.3	0	0	0	0	109.8	I70 V71	T26-I70 WeakPolarHBondContact CA-O 3.32Å; T26-V71 HydrophobicContact CG2-CG2 4.37Å
27	T	97.1	Very high	95.5	Very high	44 Å²	44	54.4 Å²	54.4	27%	0.27	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	-177	173	-170.2	0	0	0	0	109.2	L15 L17 I70	L15-T27 HydrophobicContact CD1-CG2 3.86Å; L15-T27 HydrophobicContact CD2-CG2 3.95Å; L15-T27 HydrophobicContact CG-CG2 4.38Å; L17-T27 HydrophobicContact CD2-CG2 3.88Å; T27-I70 HydrophobicContact CG2-CB 3.91Å; T27-I70 HydrophobicContact CG2-CG2 4.34Å; T27-I70 PolarHBondContact N-O 2.82Å; T27-I70 PolarHBondContact O-N 3.18Å
28	A	97.5	Very high	95.5	Very high	37 Å²	37	55.7 Å²	55.7	31%	0.306	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	151.4	174.2	0	0	0	0	0	111.9	M67 V68	A28-M67 HydrophobicContact CB-CE 3.69Å; A28-V68 CarbonylContact C-O 3.52Å; A28-V68 WeakPolarHBondContact CA-O 3.3Å
29	M	98	Very high	95.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.5	169.9	175.5	-171.1	65.4	0	0	108.6	T9 D10 V43 V68 I70 I89 M117	T9-M29 HydrophobicContact CG2-CG 4.43Å; T9-M29 HydrophobicContact CG2-SD 3.77Å; D10-M29 CarbonylContact O-C 3.12Å; D10-M29 WeakPolarHBondContact O-CA 3.07Å; M29-V43 HydrophobicContact CE-CG2 4.06Å; M29-V68 HydrophobicContact CE-CB 4.32Å; M29-V68 HydrophobicContact CE-CG2 4.32Å; M29-V68 PolarHBondContact N-O 3.26Å; M29-V68 PolarHBondContact O-N 2.91Å; M29-I70 HydrophobicContact CB-CD1 3.82Å; M29-I89 HydrophobicContact CE-CD1 4.49Å; M29-I89 HydrophobicContact CE-CG1 3.9Å; M29-I89 HydrophobicContact SD-CD1 4.12Å; M29-I89 HydrophobicContact SD-CG1 4.14Å; M29-M117 HydrophobicContact CG-CE 3.99Å; M29-M117 HydrophobicContact SD-CE 3.37Å; M29-M117 WeakPolarHBondContact SD-CE 3.45Å; M29-M117 HydrophobicContact SD-SD 3.94Å
30	K	98.5	Very high	96	Very high	85 Å²	85	50.5 Å²	50.5	37%	0.37	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	131.5	166.8	-172.8	-178.4	-179.2	-175.6	0	109	T9 D10 T65 I66 M67	T9-K30 CarbonylContact C-O 3.57Å; T9-K30 WeakPolarHBondContact CA-O 3.44Å; D10-K30 HydrophobicContact CB-CB 4.09Å; D10-K30 PolarHBondContact N-O 2.89Å; D10-K30 PolarHBondContact O-N 3.18Å; K30-T65 HydrophobicContact CD-CG2 4.06Å; K30-T65 HydrophobicContact CG-CG2 3.61Å; K30-I66 WeakPolarHBondContact CA-O 3.32Å; K30-M67 HydrophobicContact CB-CE 4.46Å; K30-M67 HydrophobicContact CB-SD 3.61Å; K30-M67 HydrophobicContact CG-SD 3.87Å
31	L	98.4	Very high	96.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	125.6	174.3	175.7	64.7	0	0	0	109.1	I7 T9 W41 L60 T65 I66 I89	I7-L31 HydrophobicContact CB-CD1 3.88Å; I7-L31 HydrophobicContact CD1-CD1 3.41Å; I7-L31 VanDerWaalsContact CD1-CD1 3.41Å; I7-L31 HydrophobicContact CG1-CD1 4.16Å; I7-L31 HydrophobicContact CG2-CD1 4.31Å; T9-L31 HydrophobicContact CG2-CD1 3.91Å; L31-W41 HydrophobicContact CD2-CB 4Å; L31-W41 HydrophobicContact CD2-CD2 3.55Å; L31-W41 HydrophobicContact CD2-CE3 3.69Å; L31-W41 HydrophobicContact CD2-CG 3.68Å; L31-W41 HydrophobicContact CD2-CZ3 4.46Å; L31-L60 HydrophobicContact CD2-CD2 4.27Å; L31-L60 HydrophobicContact CG-CD2 3.99Å; L31-T65 CarbonylContact O-C 3.51Å; L31-T65 VanDerWaalsContact O-CA 3.27Å; L31-T65 WeakPolarHBondContact O-CA 3.46Å; L31-I66 HydrophobicContact CB-CG2 3.93Å; L31-I66 HydrophobicContact CD2-CG2 4.31Å; L31-I66 HydrophobicContact CG-CG2 4.45Å; L31-I66 PolarHBondContact N-O 3.37Å; L31-I66 PolarHBondContact O-N 3.23Å; L31-I89 HydrophobicContact CD1-CG2 4.27Å; L31-I89 HydrophobicContact CD2-CG2 4.5Å
32	T	98.5	Very high	96.8	Very high	35 Å²	35	49.2 Å²	49.2	22%	0.215	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	126.7	-179.5	-63	0	0	0	0	110.4	I7 A8 G34 G64 T65	I7-T32 WeakPolarHBondContact CA-O 3.41Å; A8-T32 PolarHBondContact N-O 2.88Å; A8-T32 PolarHBondContact O-N 3.43Å; T32-G34 PolarHBondContact O-N 2.89Å; T32-G64 WeakPolarHBondContact CA-O 3.4Å; T32-T65 WeakPolarHBondContact CG2-OG1 3.3Å; T32-T65 PolarHBondContact OG1-OG1 2.98Å
33	N	97.7	Very high	96.9	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	112	172.2	179.9	2.9	0	0	0	109.7	G35 K37 I39 L60 P61 R63 G64	N33-G35 VanDerWaalsContact C-N 3.25Å; N33-G35 PolarHBondContact O-N 3.27Å; N33-G35 WeakPolarHBondContact OD1-CA 3.31Å; N33-G35 PolarHBondContact OD1-N 2.79Å; N33-K37 PolarHBondContact ND2-O 3.32Å; N33-I39 HydrophobicContact CB-CD1 4.02Å; N33-I39 HydrophobicContact CB-CG1 4.41Å; N33-L60 HydrophobicContact CB-CD2 3.78Å; N33-L60 HydrophobicContact CB-CG 3.9Å; N33-L60 PolarHBondContact ND2-O 2.88Å; N33-P61 WeakPolarHBondContact CB-O 3.42Å; N33-P61 PolarHBondContact ND2-O 2.97Å; N33-R63 VanDerWaalsContact O-CA 3.25Å; N33-R63 WeakPolarHBondContact O-CA 3.49Å; N33-G64 PolarHBondContact N-O 2.9Å
34	G	96	Very high	97	Very high	33 Å²	33	40 Å²	40	34%	0.34	22%	0.22	S	C	.	.			trans	-82.5	5.3	177.1	0	0	0	0	0	114.5	D6 T32 R63	D6-G34 VanDerWaalsContact O-CA 3.27Å; D6-G34 WeakPolarHBondContact O-CA 3.47Å; D6-G34 PolarHBondContact O-N 2.68Å; D6-G34 VanDerWaalsContact O-N 3.1Å; T32-G34 PolarHBondContact O-N 2.89Å; G34-R63 VanDerWaalsContact O-CZ 3.27Å; G34-R63 PolarHBondContact O-NH1 2.99Å
35	G	95.7	Very high	97	Very high	5 Å²	5	36.3 Å²	36.3	5%	0.052	20%	0.201	C	C	.	.	S	Bend	trans	-105.6	175.8	-179.4	0	0	0	0	0	114.9	N33 R63	N33-G35 VanDerWaalsContact C-N 3.25Å; N33-G35 PolarHBondContact O-N 3.27Å; N33-G35 WeakPolarHBondContact OD1-CA 3.31Å; N33-G35 PolarHBondContact OD1-N 2.79Å; G35-R63 WeakPolarHBondContact O-CD 3.27Å; G35-R63 PolarHBondContact O-N 2.87Å; G35-R63 PolarHBondContact O-NE 2.67Å
36	D	94.5	Very high	97	Very high	120 Å²	120	37.9 Å²	37.9	64%	0.642	22%	0.215	S	C	*	.	S	Bend	trans	-101.3	11.5	-179.5	-60.1	-50	0	0	0	113.3	A62 R63	D36-A62 WeakPolarHBondContact O-CB 3.18Å; D36-R63 IonicContact OD1-CZ 2.99Å; D36-R63 IonicContact OD1-NE 2.78Å; D36-R63 PolarHBondContact OD1-NE 3.24Å; D36-R63 IonicContact OD1-NH2 3.18Å; D36-R63 PolarHBondContact OD1-NH2 2.92Å; D36-R63 IonicContact OD2-NH2 2.76Å; D36-R63 PolarHBondContact OD2-NH2 2.93Å
37	K	94.2	Very high	97	Very high	112 Å²	112	33.9 Å²	33.9	49%	0.487	19%	0.191	S	C	.	.	S	Bend	trans	-126.1	158.3	178.8	-65.6	-177.1	-171.6	172.6	0	111.5	N33 E93	N33-K37 PolarHBondContact ND2-O 3.32Å; K37-E93 HydrophobicContact CD-CG 4.41Å; K37-E93 VanDerWaalsContact CD-OE2 3.26Å; K37-E93 WeakPolarHBondContact CD-OE2 3.21Å; K37-E93 IonicContact NZ-OE2 3.4Å; K37-E93 PolarHBondContact NZ-OE2 2.87Å
38	L	95.3	Very high	96.8	Very high	33 Å²	33	38.3 Å²	38.3	17%	0.173	21%	0.209	C	C	.	.			trans	-61.4	134.7	167.6	-175.5	69.8	0	0	0	109.6	A59 P61 A94 Q98 W105	L38-A59 HydrophobicContact CD1-CB 3.93Å; L38-A59 HydrophobicContact CG-CB 4.42Å; L38-P61 HydrophobicContact CD1-CG 4.48Å; L38-A94 HydrophobicContact CB-CB 3.91Å; L38-A94 HydrophobicContact CD2-CB 3.82Å; L38-A94 HydrophobicContact CG-CB 3.95Å; L38-A94 WeakPolarHBondContact O-CB 3.4Å; L38-A94 PolarHBondContact O-N 2.8Å; L38-Q98 WeakPolarHBondContact CD2-O 3.43Å; L38-W105 HydrophobicContact CD2-CH2 4.39Å
39	I	96.2	Very high	96.7	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	147.2	170.7	65	173.9	0	0	0	110.3	I7 N33 A59 L60 W91 C92	I7-I39 HydrophobicContact CG2-CD1 3.71Å; N33-I39 HydrophobicContact CB-CD1 4.02Å; N33-I39 HydrophobicContact CB-CG1 4.41Å; I39-A59 CarbonylContact O-C 3.52Å; I39-A59 VanDerWaalsContact O-CA 3.27Å; I39-A59 WeakPolarHBondContact O-CA 3.29Å; I39-L60 HydrophobicContact CD1-CB 4.3Å; I39-L60 HydrophobicContact CD1-CD2 4.43Å; I39-L60 HydrophobicContact CG1-CB 3.82Å; I39-L60 PolarHBondContact N-O 2.78Å; I39-L60 PolarHBondContact O-N 2.82Å; I39-W91 HydrophobicContact CD1-CB 4.12Å; I39-W91 HydrophobicContact CD1-CG 4.33Å; I39-C92 CarbonylContact C-O 3.49Å; I39-C92 WeakPolarHBondContact CA-O 2.95Å; I39-C92 VanDerWaalsContact CB-O 3.31Å; I39-C92 WeakPolarHBondContact CB-O 3.36Å
40	A	97	Very high	96.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	141.6	155.3	0	0	0	0	0	108.6	G58 W91 C92 Y101 W105 F106	A40-G58 WeakPolarHBondContact CA-O 3.13Å; A40-W91 WeakPolarHBondContact O-CA 3.45Å; A40-W91 VanDerWaalsContact O-CB 3.29Å; A40-W91 WeakPolarHBondContact O-CB 3.18Å; A40-C92 PolarHBondContact N-O 2.97Å; A40-C92 PolarHBondContact O-N 2.81Å; A40-Y101 HydrophobicContact CB-CD2 3.87Å; A40-Y101 HydrophobicContact CB-CE2 3.92Å; A40-W105 HydrophobicContact CB-CE3 3.47Å; A40-W105 VanDerWaalsContact CB-CE3 3.47Å; A40-W105 HydrophobicContact CB-CZ3 3.86Å; A40-F106 HydrophobicContact CB-CE2 3.88Å; A40-F106 HydrophobicContact CB-CZ 4.08Å
41	W	97.6	Very high	96.6	Very high	1 Å²	1	40.7 Å²	40.7	0%	0.004	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	151.4	177.6	66.7	-85.7	0	0	0	110.6	L31 V43 P55 K56 E57 G58 I66 V68 E90 W91	L31-W41 HydrophobicContact CD2-CB 4Å; L31-W41 HydrophobicContact CD2-CD2 3.55Å; L31-W41 HydrophobicContact CD2-CE3 3.69Å; L31-W41 HydrophobicContact CD2-CG 3.68Å; L31-W41 HydrophobicContact CD2-CZ3 4.46Å; W41-V43 HydrophobicContact CE3-CG2 4.17Å; W41-V43 HydrophobicContact CZ3-CG2 3.9Å; W41-P55 HydrophobicContact CH2-CB 4.1Å; W41-P55 HydrophobicContact CH2-CG 3.81Å; W41-P55 WeakPolarHBondContact CH2-O 3.34Å; W41-P55 HydrophobicContact CZ2-CB 4.34Å; W41-P55 HydrophobicContact CZ2-CG 3.9Å; W41-K56 WeakPolarHBondContact CZ3-O 3.4Å; W41-E57 CarbonylContact O-C 3.54Å; W41-E57 WeakPolarHBondContact O-CA 3.44Å; W41-E57 WeakPolarHBondContact O-CB 3.33Å; W41-G58 PolarHBondContact N-O 3.16Å; W41-G58 PolarHBondContact NE1-O 3.04Å; W41-G58 PolarHBondContact O-N 2.87Å; W41-I66 HydrophobicContact CZ2-CD1 3.97Å; W41-I66 HydrophobicContact CZ2-CG2 4.12Å; W41-V68 HydrophobicContact CH2-CG2 3.62Å; W41-V68 HydrophobicContact CZ2-CG2 4.47Å; W41-V68 HydrophobicContact CZ3-CG2 3.74Å; W41-E90 CarbonylContact C-O 3.55Å; W41-E90 VanDerWaalsContact CA-O 3.23Å; W41-E90 WeakPolarHBondContact CA-O 3.19Å; W41-W91 HydrophobicContact CB-CB 4.3Å
42	R	98	Very high	96.5	Very high	61 Å²	61	44.1 Å²	44.1	23%	0.23	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	153.3	171.4	64.9	-176.8	-176.4	-177.2	0.9	111.3	K56 E57 E90 F106	R42-K56 WeakPolarHBondContact CA-O 3.47Å; R42-E57 HydrophobicContact CB-CB 3.59Å; R42-E90 HydrophobicContact CG-CB 4.01Å; R42-E90 IonicContact CZ-OE2 3.39Å; R42-E90 PolarHBondContact N-O 3.18Å; R42-E90 IonicContact NE-OE2 3.68Å; R42-E90 PolarHBondContact NE-OE2 2.94Å; R42-E90 IonicContact NH2-OE2 2.58Å; R42-E90 PolarHBondContact NH2-OE2 3.02Å; R42-E90 PolarHBondContact O-N 2.79Å; R42-F106 HydrophobicContact CB-CZ 4.33Å; R42-F106 HydrophobicContact CG-CE1 4.02Å; R42-F106 HydrophobicContact CG-CE2 4.17Å; R42-F106 HydrophobicContact CG-CZ 3.79Å
43	V	98.1	Very high	96.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	126.6	176.5	-177	0	0	0	0	109.5	M29 W41 M53 K56 L87 T88 I89	M29-V43 HydrophobicContact CE-CG2 4.06Å; W41-V43 HydrophobicContact CE3-CG2 4.17Å; W41-V43 HydrophobicContact CZ3-CG2 3.9Å; V43-M53 HydrophobicContact CB-CG 4.14Å; V43-M53 HydrophobicContact CG1-CG 3.92Å; V43-M53 HydrophobicContact CG1-SD 4.42Å; V43-M53 WeakPolarHBondContact O-CE 3.08Å; V43-K56 PolarHBondContact N-O 2.84Å; V43-L87 HydrophobicContact CG1-CB 4.09Å; V43-L87 HydrophobicContact CG1-CD1 4.47Å; V43-T88 WeakPolarHBondContact CA-O 3.21Å; V43-I89 HydrophobicContact CG2-CG1 4.27Å
44	N	97.4	Very high	96.5	Very high	37 Å²	37	49.1 Å²	49.1	20%	0.198	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	111.3	-178.8	-63.2	-49.3	0	0	0	110.1	T88 E90	N44-T88 PolarHBondContact N-O 2.81Å; N44-T88 PolarHBondContact O-N 3.4Å; N44-E90 PolarHBondContact ND2-OE2 3.49Å
45	P	97.9	Very high	96.6	Very high	12 Å²	12	49.6 Å²	49.6	8%	0.078	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	148.2	174.4	31.1	-35	0	0	0	111.2	V47 E48 Y51 M53 T86 L87	P45-V47 PolarHBondContact O-N 2.77Å; P45-E48 HydrophobicContact CG-CG 4.25Å; P45-Y51 HydrophobicContact CB-CD2 3.8Å; P45-Y51 HydrophobicContact CB-CG 4.11Å; P45-M53 HydrophobicContact CG-CE 4Å; P45-M53 HydrophobicContact CG-SD 4.24Å; P45-T86 CarbonylContact C-O 3.54Å; P45-T86 WeakPolarHBondContact CA-O 3.24Å; P45-L87 HydrophobicContact CB-CD2 3.66Å
46	S	97	Very high	96.7	Very high	66 Å²	66	53.4 Å²	53.4	46%	0.462	28%	0.28	S	S	.	.	S	Bend	trans	-66.9	-23.4	171.4	59.8	0	0	0	0	112.7	I84 D85 T86	S46-I84 PolarHBondContact OG-O 2.81Å; S46-D85 WeakPolarHBondContact OG-CA 3.37Å; S46-T86 PolarHBondContact N-O 2.99Å; S46-T86 PolarHBondContact OG-N 2.69Å; S46-T86 PolarHBondContact OG-O 2.59Å
47	V	96	Very high	96.9	Very high	28 Å²	28	51.2 Å²	51.2	17%	0.17	27%	0.266	C	S	.	.	S	Bend	trans	-125.2	85.5	177.4	-170.7	0	0	0	0	109.5	P45 T49 R50 Y51 I84	P45-V47 PolarHBondContact O-N 2.77Å; V47-T49 VanDerWaalsContact C-N 3.26Å; V47-T49 PolarHBondContact O-N 2.95Å; V47-R50 HydrophobicContact CB-CB 4.07Å; V47-R50 HydrophobicContact CG1-CB 3.72Å; V47-R50 PolarHBondContact O-N 3.06Å; V47-Y51 PolarHBondContact O-N 2.9Å; V47-I84 HydrophobicContact CG2-CD1 4.44Å
48	E	94.2	Very high	97	Very high	137 Å²	137	46.5 Å²	46.5	64%	0.64	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-33	-174	-64.4	-166.9	160.9	0	0	114.5	P45 R50	P45-E48 HydrophobicContact CG-CG 4.25Å; E48-R50 PolarHBondContact O-N 3.23Å
49	T	94.6	Very high	97.1	Very high	126 Å²	126	46.5 Å²	46.5	77%	0.773	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-15.3	179.1	53.8	0	0	0	0	113.6	V47	V47-T49 VanDerWaalsContact C-N 3.26Å; V47-T49 PolarHBondContact O-N 2.95Å
50	R	95.6	Very high	97.1	Very high	41 Å²	41	46.6 Å²	46.6	16%	0.155	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-26.5	-177.2	-169.9	-179.9	-59.3	174.9	9	112.5	V47 E48 C72 H73 F75 D85	V47-R50 HydrophobicContact CB-CB 4.07Å; V47-R50 HydrophobicContact CG1-CB 3.72Å; V47-R50 PolarHBondContact O-N 3.06Å; E48-R50 PolarHBondContact O-N 3.23Å; R50-C72 CarbonylContact O-C 3.56Å; R50-C72 WeakPolarHBondContact O-CA 3.34Å; R50-H73 PolarHBondContact O-N 3.3Å; R50-F75 HydrophobicContact CG-CD1 4.18Å; R50-D85 VanDerWaalsContact CD-OD2 3.26Å; R50-D85 WeakPolarHBondContact CD-OD2 3.45Å; R50-D85 IonicContact CZ-OD1 3.73Å; R50-D85 IonicContact CZ-OD2 3.69Å; R50-D85 IonicContact NE-OD2 2.81Å; R50-D85 IonicContact NH1-OD1 3.79Å; R50-D85 PolarHBondContact NH1-OD1 3.25Å; R50-D85 IonicContact NH1-OD2 2.76Å; R50-D85 PolarHBondContact NH1-OD2 3.4Å
51	Y	98	Very high	97.1	Very high	5 Å²	5	50.2 Å²	50.2	2%	0.02	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	130.3	-170	-64.7	-77.2	0	0	0	112.8	L17 P45 V47 I70 V71 C72 D85 L87 V119 F121	L17-Y51 HydrophobicContact CD1-CE1 4.28Å; P45-Y51 HydrophobicContact CB-CD2 3.8Å; P45-Y51 HydrophobicContact CB-CG 4.11Å; V47-Y51 PolarHBondContact O-N 2.9Å; Y51-I70 HydrophobicContact CD1-CG2 4.19Å; Y51-V71 VanDerWaalsContact CA-O 3.3Å; Y51-V71 WeakPolarHBondContact CA-O 3.21Å; Y51-C72 HydrophobicContact CD1-CB 4.01Å; Y51-C72 HydrophobicContact CE1-CB 3.71Å; Y51-D85 HydrophobicContact CE2-CB 4.3Å; Y51-D85 VanDerWaalsContact CE2-OD2 3.29Å; Y51-D85 WeakPolarHBondContact CE2-OD2 3.39Å; Y51-D85 PolarHBondContact OH-OD2 2.67Å; Y51-L87 HydrophobicContact CG-CD2 4.34Å; Y51-V119 HydrophobicContact CE1-CG1 4.24Å; Y51-V119 VanDerWaalsContact OH-CG1 3.24Å; Y51-V119 WeakPolarHBondContact OH-CG1 3.37Å; Y51-F121 WeakPolarHBondContact OH-CZ 3.41Å
52	V	97.8	Very high	97	Very high	72 Å²	72	52.3 Å²	52.3	44%	0.436	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	129.4	169.7	177.6	0	0	0	0	108.8	I70 V71 H73	V52-I70 WeakPolarHBondContact O-CA 3.34Å; V52-V71 HydrophobicContact CB-CB 4.35Å; V52-V71 PolarHBondContact N-O 2.83Å; V52-V71 PolarHBondContact O-N 2.94Å; V52-H73 VanDerWaalsContact CG2-NE2 3.32Å; V52-H73 WeakPolarHBondContact CG2-NE2 3.42Å
53	M	98	Very high	97	Very high	15 Å²	15	56.2 Å²	56.2	7%	0.074	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	136.8	177	-62.9	71.2	53.6	0	0	109.8	V43 P45 K56 V68 G69 I70	V43-M53 HydrophobicContact CB-CG 4.14Å; V43-M53 HydrophobicContact CG1-CG 3.92Å; V43-M53 HydrophobicContact CG1-SD 4.42Å; V43-M53 WeakPolarHBondContact O-CE 3.08Å; P45-M53 HydrophobicContact CG-CE 4Å; P45-M53 HydrophobicContact CG-SD 4.24Å; M53-K56 HydrophobicContact CB-CB 4.21Å; M53-K56 HydrophobicContact CE-CD 4.02Å; M53-K56 HydrophobicContact CE-CG 3.83Å; M53-K56 PolarHBondContact O-N 2.69Å; M53-V68 HydrophobicContact CB-CG1 4.08Å; M53-V68 HydrophobicContact CG-CG1 4.41Å; M53-G69 CarbonylContact C-O 3.56Å; M53-G69 VanDerWaalsContact CA-O 3.26Å; M53-G69 WeakPolarHBondContact CA-O 3.27Å; M53-I70 HydrophobicContact CG-CG1 4.42Å
54	N	97.7	Very high	97	Very high	126 Å²	126	57 Å²	57	67%	0.674	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.6	112	176.3	-173.6	26.2	0	0	0	111.7	G69	N54-G69 PolarHBondContact N-O 3.19Å; N54-G69 PolarHBondContact O-N 3.34Å
55	P	98	Very high	97	Very high	43 Å²	43	58.7 Å²	58.7	28%	0.279	33%	0.329	S	S	.	.	S	Bend	cis	-66.3	152.2	-11.3	22	-24.9	0	0	0	112	W41 I66 V68	W41-P55 HydrophobicContact CH2-CB 4.1Å; W41-P55 HydrophobicContact CH2-CG 3.81Å; W41-P55 WeakPolarHBondContact CH2-O 3.34Å; W41-P55 HydrophobicContact CZ2-CB 4.34Å; W41-P55 HydrophobicContact CZ2-CG 3.9Å; P55-I66 HydrophobicContact CG-CD1 3.74Å; P55-I66 HydrophobicContact CG-CG1 4.49Å; P55-V68 WeakPolarHBondContact O-CG1 3.37Å
56	K	97.7	Very high	97	Very high	85 Å²	85	60.4 Å²	60.4	37%	0.37	34%	0.338	S	S	.	.			trans	-78.9	-32.9	173.5	178	176.5	176.8	-179.3	0	112.5	W41 R42 V43 M53	W41-K56 WeakPolarHBondContact CZ3-O 3.4Å; R42-K56 WeakPolarHBondContact CA-O 3.47Å; V43-K56 PolarHBondContact N-O 2.84Å; M53-K56 HydrophobicContact CB-CB 4.21Å; M53-K56 HydrophobicContact CE-CD 4.02Å; M53-K56 HydrophobicContact CE-CG 3.83Å; M53-K56 PolarHBondContact O-N 2.69Å
57	E	98	Very high	97.1	Very high	74 Å²	74	62.6 Å²	62.6	35%	0.346	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	164.8	-175	58.3	-177.5	-139	0	0	110.9	W41 R42 Y101	W41-E57 CarbonylContact O-C 3.54Å; W41-E57 WeakPolarHBondContact O-CA 3.44Å; W41-E57 WeakPolarHBondContact O-CB 3.33Å; R42-E57 HydrophobicContact CB-CB 3.59Å; E57-Y101 HydrophobicContact CB-CE2 4.48Å; E57-Y101 HydrophobicContact CG-CE1 4.09Å; E57-Y101 VanDerWaalsContact OE1-CE1 3.23Å; E57-Y101 WeakPolarHBondContact OE1-CE1 3.27Å; E57-Y101 PolarHBondContact OE1-OH 2.78Å; E57-Y101 PolarHBondContact OE2-OH 3.19Å; E57-Y101 VanDerWaalsContact OE2-OH 3.14Å
58	G	97.5	Very high	97.2	Very high	13 Å²	13	61.3 Å²	61.3	13%	0.134	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.7	-166.6	175.2	0	0	0	0	0	113.1	A40 W41 Y101	A40-G58 WeakPolarHBondContact CA-O 3.13Å; W41-G58 PolarHBondContact N-O 3.16Å; W41-G58 PolarHBondContact NE1-O 3.04Å; W41-G58 PolarHBondContact O-N 2.87Å; G58-Y101 VanDerWaalsContact O-CD2 3.24Å; G58-Y101 WeakPolarHBondContact O-CD2 3.35Å
59	A	96.7	Very high	97.4	Very high	33 Å²	33	56 Å²	56	27%	0.273	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	142.8	171.7	0	0	0	0	0	110.1	L38 I39	L38-A59 HydrophobicContact CD1-CB 3.93Å; L38-A59 HydrophobicContact CG-CB 4.42Å; I39-A59 CarbonylContact O-C 3.52Å; I39-A59 VanDerWaalsContact O-CA 3.27Å; I39-A59 WeakPolarHBondContact O-CA 3.29Å
60	L	97.1	Very high	97.6	Very high	4 Å²	4	50 Å²	50	2%	0.021	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	113.9	177.5	-169.8	60.2	0	0	0	109.2	L31 N33 I39 I66	L31-L60 HydrophobicContact CD2-CD2 4.27Å; L31-L60 HydrophobicContact CG-CD2 3.99Å; N33-L60 HydrophobicContact CB-CD2 3.78Å; N33-L60 HydrophobicContact CB-CG 3.9Å; N33-L60 PolarHBondContact ND2-O 2.88Å; I39-L60 HydrophobicContact CD1-CB 4.3Å; I39-L60 HydrophobicContact CD1-CD2 4.43Å; I39-L60 HydrophobicContact CG1-CB 3.82Å; I39-L60 PolarHBondContact N-O 2.78Å; I39-L60 PolarHBondContact O-N 2.82Å; L60-I66 HydrophobicContact CD1-CB 4.03Å; L60-I66 HydrophobicContact CD1-CG2 4.02Å; L60-I66 HydrophobicContact CD2-CG2 4.36Å
61	P	96.5	Very high	97.7	Very high	76 Å²	76	49.8 Å²	49.8	49%	0.494	28%	0.282	S	S	.	.			trans	-57.2	163.6	-179.3	-27	35.5	0	0	0	113.2	N33 L38 R63 G64	N33-P61 WeakPolarHBondContact CB-O 3.42Å; N33-P61 PolarHBondContact ND2-O 2.97Å; L38-P61 HydrophobicContact CD1-CG 4.48Å; P61-R63 PolarHBondContact O-N 2.89Å; P61-G64 WeakPolarHBondContact O-CA 3.45Å; P61-G64 PolarHBondContact O-N 2.85Å
62	A	95.8	Very high	97.7	Very high	45 Å²	45	49.6 Å²	49.6	37%	0.372	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	129.9	169.3	0	0	0	0	0	110.4	D36 G64	D36-A62 WeakPolarHBondContact O-CB 3.18Å; A62-G64 PolarHBondContact O-N 2.83Å
63	R	96.6	Very high	97.7	Very high	143 Å²	143	49.1 Å²	49.1	54%	0.54	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	9.2	-176.7	-48.9	-59.5	178	177.8	-10.7	115.3	N33 G34 G35 D36 P61	N33-R63 VanDerWaalsContact O-CA 3.25Å; N33-R63 WeakPolarHBondContact O-CA 3.49Å; G34-R63 VanDerWaalsContact O-CZ 3.27Å; G34-R63 PolarHBondContact O-NH1 2.99Å; G35-R63 WeakPolarHBondContact O-CD 3.27Å; G35-R63 PolarHBondContact O-N 2.87Å; G35-R63 PolarHBondContact O-NE 2.67Å; D36-R63 IonicContact OD1-CZ 2.99Å; D36-R63 IonicContact OD1-NE 2.78Å; D36-R63 PolarHBondContact OD1-NE 3.24Å; D36-R63 IonicContact OD1-NH2 3.18Å; D36-R63 PolarHBondContact OD1-NH2 2.92Å; D36-R63 IonicContact OD2-NH2 2.76Å; D36-R63 PolarHBondContact OD2-NH2 2.93Å; P61-R63 PolarHBondContact O-N 2.89Å
64	G	97.9	Very high	97.6	Very high	16 Å²	16	51.6 Å²	51.6	17%	0.165	29%	0.292	C	S	.	.			trans	-72	158.8	-178.2	0	0	0	0	0	112.4	T32 N33 P61 A62	T32-G64 WeakPolarHBondContact CA-O 3.4Å; N33-G64 PolarHBondContact N-O 2.9Å; P61-G64 WeakPolarHBondContact O-CA 3.45Å; P61-G64 PolarHBondContact O-N 2.85Å; A62-G64 PolarHBondContact O-N 2.83Å
65	T	98.4	Very high	97.5	Very high	72 Å²	72	47.4 Å²	47.4	44%	0.442	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	144.1	176.6	-68.7	0	0	0	0	110	K30 L31 T32	K30-T65 HydrophobicContact CD-CG2 4.06Å; K30-T65 HydrophobicContact CG-CG2 3.61Å; L31-T65 CarbonylContact O-C 3.51Å; L31-T65 VanDerWaalsContact O-CA 3.27Å; L31-T65 WeakPolarHBondContact O-CA 3.46Å; T32-T65 WeakPolarHBondContact CG2-OG1 3.3Å; T32-T65 PolarHBondContact OG1-OG1 2.98Å
66	I	98.5	Very high	97.3	Very high	49 Å²	49	50.8 Å²	50.8	25%	0.251	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	150.3	174.1	-168.1	159.7	0	0	0	111.1	K30 L31 W41 P55 L60 V68	K30-I66 WeakPolarHBondContact CA-O 3.32Å; L31-I66 HydrophobicContact CB-CG2 3.93Å; L31-I66 HydrophobicContact CD2-CG2 4.31Å; L31-I66 HydrophobicContact CG-CG2 4.45Å; L31-I66 PolarHBondContact N-O 3.37Å; L31-I66 PolarHBondContact O-N 3.23Å; W41-I66 HydrophobicContact CZ2-CD1 3.97Å; W41-I66 HydrophobicContact CZ2-CG2 4.12Å; P55-I66 HydrophobicContact CG-CD1 3.74Å; P55-I66 HydrophobicContact CG-CG1 4.49Å; L60-I66 HydrophobicContact CD1-CB 4.03Å; L60-I66 HydrophobicContact CD1-CG2 4.02Å; L60-I66 HydrophobicContact CD2-CG2 4.36Å; I66-V68 HydrophobicContact CG2-CG2 4.38Å
67	M	98.5	Very high	97	Very high	112 Å²	112	49 Å²	49	55%	0.552	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.6	124.9	168.7	-66.9	-59.3	-66.3	0	0	109.1	A28 K30	A28-M67 HydrophobicContact CB-CE 3.69Å; K30-M67 HydrophobicContact CB-CE 4.46Å; K30-M67 HydrophobicContact CB-SD 3.61Å; K30-M67 HydrophobicContact CG-SD 3.87Å
68	V	98.5	Very high	96.7	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	110	175.5	178.9	0	0	0	0	107.9	A28 M29 W41 M53 P55 I66 I70	A28-V68 CarbonylContact C-O 3.52Å; A28-V68 WeakPolarHBondContact CA-O 3.3Å; M29-V68 HydrophobicContact CE-CB 4.32Å; M29-V68 HydrophobicContact CE-CG2 4.32Å; M29-V68 PolarHBondContact N-O 3.26Å; M29-V68 PolarHBondContact O-N 2.91Å; W41-V68 HydrophobicContact CH2-CG2 3.62Å; W41-V68 HydrophobicContact CZ2-CG2 4.47Å; W41-V68 HydrophobicContact CZ3-CG2 3.74Å; M53-V68 HydrophobicContact CB-CG1 4.08Å; M53-V68 HydrophobicContact CG-CG1 4.41Å; P55-V68 WeakPolarHBondContact O-CG1 3.37Å; I66-V68 HydrophobicContact CG2-CG2 4.38Å; V68-I70 HydrophobicContact CG1-CG1 4.36Å
69	G	98.3	Very high	96.3	Very high	25 Å²	25	57.2 Å²	57.2	26%	0.258	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	137.2	169.8	0	0	0	0	0	110.1	M53 N54	M53-G69 CarbonylContact C-O 3.56Å; M53-G69 VanDerWaalsContact CA-O 3.26Å; M53-G69 WeakPolarHBondContact CA-O 3.27Å; N54-G69 PolarHBondContact N-O 3.19Å; N54-G69 PolarHBondContact O-N 3.34Å
70	I	98.2	Very high	96	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	120.1	179.7	-59.4	162.9	0	0	0	107.2	L15 T26 T27 M29 Y51 V52 M53 V68 L87	L15-I70 HydrophobicContact CD2-CD1 3.97Å; L15-I70 HydrophobicContact CD2-CG2 4.42Å; T26-I70 WeakPolarHBondContact CA-O 3.32Å; T27-I70 HydrophobicContact CG2-CB 3.91Å; T27-I70 HydrophobicContact CG2-CG2 4.34Å; T27-I70 PolarHBondContact N-O 2.82Å; T27-I70 PolarHBondContact O-N 3.18Å; M29-I70 HydrophobicContact CB-CD1 3.82Å; Y51-I70 HydrophobicContact CD1-CG2 4.19Å; V52-I70 WeakPolarHBondContact O-CA 3.34Å; M53-I70 HydrophobicContact CG-CG1 4.42Å; V68-I70 HydrophobicContact CG1-CG1 4.36Å; I70-L87 HydrophobicContact CD1-CD1 3.72Å; I70-L87 HydrophobicContact CG1-CD1 4.41Å; I70-L87 HydrophobicContact CG2-CD1 4.38Å
71	V	98	Very high	95.6	Very high	37 Å²	37	64.6 Å²	64.6	22%	0.224	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	124.2	172.7	-179.1	0	0	0	0	108.2	D24 Q25 T26 Y51 V52	D24-V71 HydrophobicContact CB-CG1 4.17Å; Q25-V71 CarbonylContact O-C 3.54Å; Q25-V71 WeakPolarHBondContact O-CA 3.36Å; T26-V71 HydrophobicContact CG2-CG2 4.37Å; Y51-V71 VanDerWaalsContact CA-O 3.3Å; Y51-V71 WeakPolarHBondContact CA-O 3.21Å; V52-V71 HydrophobicContact CB-CB 4.35Å; V52-V71 PolarHBondContact N-O 2.83Å; V52-V71 PolarHBondContact O-N 2.94Å
72	C	97.9	Very high	95.3	Very high	1 Å²	1	66.3 Å²	66.3	1%	0.007	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	116.7	168.9	-178.4	0	0	0	0	108.7	L17 D24 Q25 R50 Y51	L17-C72 HydrophobicContact CD1-CB 3.62Å; D24-C72 WeakPolarHBondContact CA-O 3.4Å; Q25-C72 HydrophobicContact CB-CB 4.39Å; Q25-C72 PolarHBondContact N-O 2.92Å; Q25-C72 PolarHBondContact O-N 2.78Å; R50-C72 CarbonylContact O-C 3.56Å; R50-C72 WeakPolarHBondContact O-CA 3.34Å; Y51-C72 HydrophobicContact CD1-CB 4.01Å; Y51-C72 HydrophobicContact CE1-CB 3.71Å
73	H	97.8	Very high	95	Very high	63 Å²	63	67.9 Å²	67.9	29%	0.292	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-71	156.5	176.2	-68.4	-50.7	0	0	0	112.3	D24 R50 V52	D24-H73 WeakPolarHBondContact OD1-CA 3.23Å; D24-H73 IonicContact OD1-CE1 3.71Å; D24-H73 IonicContact OD1-CG 3.47Å; D24-H73 IonicContact OD1-ND1 2.66Å; D24-H73 PolarHBondContact OD1-ND1 2.94Å; R50-H73 PolarHBondContact O-N 3.3Å; V52-H73 VanDerWaalsContact CG2-NE2 3.32Å; V52-H73 WeakPolarHBondContact CG2-NE2 3.42Å
74	P	96.6	Very high	94.9	Very high	67 Å²	67	66.1 Å²	66.1	44%	0.435	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-55.5	142.1	173.6	-22.4	28	0	0	0	112.4	C21 D24	C21-P74 WeakPolarHBondContact O-CA 3.32Å; C21-P74 WeakPolarHBondContact O-CB 3.45Å; D24-P74 WeakPolarHBondContact OD1-CD 3.04Å
75	F	95	Very high	94.8	Very high	37 Å²	37	65.6 Å²	65.6	16%	0.162	37%	0.367	C	S	.	.			trans	-154.6	159.3	172.1	73.6	-81	0	0	0	109.6	C21 R50 F77 F121	C21-F75 HydrophobicContact CB-CD1 3.6Å; C21-F75 HydrophobicContact CB-CE1 3.49Å; C21-F75 VanDerWaalsContact CB-CE1 3.49Å; C21-F75 HydrophobicContact CB-CG 4.42Å; C21-F75 HydrophobicContact CB-CZ 4.25Å; C21-F75 PolarHBondContact O-N 2.88Å; C21-F75 WeakPolarHBondContact SG-CE1 3.17Å; R50-F75 HydrophobicContact CG-CD1 4.18Å; F75-F77 HydrophobicContact CD2-CB 4.41Å; F75-F77 HydrophobicContact CE2-CB 3.88Å; F75-F77 AromaticContact CE2-CD2 4Å; F75-F77 HydrophobicContact CE2-CD2 4Å; F75-F77 HydrophobicContact CE2-CG 4.46Å; F75-F77 HydrophobicContact CZ-CB 3.97Å; F75-F77 AromaticContact CZ-CD2 3.81Å; F75-F77 HydrophobicContact CZ-CD2 3.81Å; F75-F77 HydrophobicContact CZ-CG 4.34Å; F75-F77 PolarHBondContact O-N 2.88Å; F75-F121 AromaticContact CE1-CE1 3.72Å; F75-F121 HydrophobicContact CE1-CE1 3.72Å; F75-F121 HydrophobicContact CE1-CE2 4.44Å; F75-F121 AromaticContact CE1-CZ 3.66Å; F75-F121 HydrophobicContact CE1-CZ 3.66Å; F75-F121 HydrophobicContact CZ-CD1 4.47Å; F75-F121 AromaticContact CZ-CE1 3.94Å; F75-F121 HydrophobicContact CZ-CE1 3.94Å; F75-F121 AromaticContact CZ-CE2 4Å; F75-F121 HydrophobicContact CZ-CE2 4Å; F75-F121 AromaticContact CZ-CZ 3.66Å; F75-F121 HydrophobicContact CZ-CZ 3.66Å
76	P	93	Very high	94.8	Very high	115 Å²	115	63.8 Å²	63.8	75%	0.747	36%	0.355	S	S	*	.			trans	-72.4	75.6	179.1	30.5	-35.7	0	0	0	110.8
77	F	92.2	Very high	94.7	Very high	47 Å²	47	61.4 Å²	61.4	21%	0.206	34%	0.343	C	S	.	.			trans	-59.3	134.9	178.9	175.2	-109.2	0	0	0	111.2	C21 F75 P79 F121 P123	C21-F77 HydrophobicContact CB-CB 4.05Å; F75-F77 HydrophobicContact CD2-CB 4.41Å; F75-F77 HydrophobicContact CE2-CB 3.88Å; F75-F77 AromaticContact CE2-CD2 4Å; F75-F77 HydrophobicContact CE2-CD2 4Å; F75-F77 HydrophobicContact CE2-CG 4.46Å; F75-F77 HydrophobicContact CZ-CB 3.97Å; F75-F77 AromaticContact CZ-CD2 3.81Å; F75-F77 HydrophobicContact CZ-CD2 3.81Å; F75-F77 HydrophobicContact CZ-CG 4.34Å; F75-F77 PolarHBondContact O-N 2.88Å; F77-P79 HydrophobicContact CD1-CG 4.39Å; F77-P79 HydrophobicContact CE1-CB 4.35Å; F77-P79 HydrophobicContact CE1-CG 3.8Å; F77-P79 HydrophobicContact CZ-CB 4.5Å; F77-P79 HydrophobicContact CZ-CG 4.4Å; F77-F121 HydrophobicContact CD2-CB 4.18Å; F77-F121 HydrophobicContact CD2-CD2 4.47Å; F77-F121 HydrophobicContact CD2-CG 4.19Å; F77-F121 HydrophobicContact CE1-CB 4.49Å; F77-F121 HydrophobicContact CE2-CB 3.45Å; F77-F121 VanDerWaalsContact CE2-CB 3.45Å; F77-F121 HydrophobicContact CE2-CD2 4.14Å; F77-F121 AromaticContact CE2-CG 3.86Å; F77-F121 HydrophobicContact CE2-CG 3.86Å; F77-F121 HydrophobicContact CZ-CB 3.63Å; F77-F121 HydrophobicContact CZ-CG 4.5Å; F77-P123 HydrophobicContact CE1-CB 4.43Å
78	R	91.3	Very high	94.7	Very high	170 Å²	170	58 Å²	58	64%	0.642	33%	0.329	S	S	*	.			trans	-129	111.5	179.7	-71.1	-171.8	-173.2	-167.7	1.4	108.2	D80 A81	R78-D80 WeakPolarHBondContact CB-OD1 3.25Å; R78-D80 PolarHBondContact O-N 3.21Å; R78-D80 VanDerWaalsContact O-N 3.12Å; R78-A81 HydrophobicContact CB-CB 3.86Å; R78-A81 WeakPolarHBondContact O-CB 3.44Å; R78-A81 PolarHBondContact O-N 3.18Å
79	P	88.6	Confident	94.7	Very high	90 Å²	90	58 Å²	58	58%	0.584	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-23.6	-178.3	-25.8	33.5	0	0	0	114.6	F77 P123	F77-P79 HydrophobicContact CD1-CG 4.39Å; F77-P79 HydrophobicContact CE1-CB 4.35Å; F77-P79 HydrophobicContact CE1-CG 3.8Å; F77-P79 HydrophobicContact CZ-CB 4.5Å; F77-P79 HydrophobicContact CZ-CG 4.4Å; P79-P123 HydrophobicContact CB-CB 4.09Å; P79-P123 HydrophobicContact CG-CB 4.16Å
80	D	90.3	Very high	94.6	Very high	138 Å²	138	57.3 Å²	57.3	74%	0.738	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-8.6	-179.7	62.4	-43.8	0	0	0	113.7	R78	R78-D80 WeakPolarHBondContact CB-OD1 3.25Å; R78-D80 PolarHBondContact O-N 3.21Å; R78-D80 VanDerWaalsContact O-N 3.12Å
81	A	90.1	Very high	94.6	Very high	53 Å²	53	57.5 Å²	57.5	44%	0.438	32%	0.32	S	S	.	.	S	Bend	trans	-75.7	144.5	177	0	0	0	0	0	111.2	R78 N83	R78-A81 HydrophobicContact CB-CB 3.86Å; R78-A81 WeakPolarHBondContact O-CB 3.44Å; R78-A81 PolarHBondContact O-N 3.18Å; A81-N83 PolarHBondContact O-N 3.44Å
82	P	90	Very high	94.5	Very high	113 Å²	113	55.8 Å²	55.8	73%	0.734	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-56.2	135.6	171.8	-23.8	33.5	0	0	0	111.3	I84	P82-I84 PolarHBondContact O-N 3.09Å
83	N	90	Very high	94.3	Very high	78 Å²	78	57.6 Å²	57.6	42%	0.417	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-71.5	117.8	172.4	-171.7	3.8	0	0	0	110	A81 D85 V119 N120	A81-N83 PolarHBondContact O-N 3.44Å; N83-D85 PolarHBondContact OD1-N 2.86Å; N83-V119 PolarHBondContact ND2-O 2.97Å; N83-V119 PolarHBondContact OD1-O 2.75Å; N83-N120 PolarHBondContact ND2-OD1 2.92Å
84	I	93.4	Very high	94.1	Very high	106 Å²	106	55.4 Å²	55.4	54%	0.544	31%	0.31	S	S	.	.			trans	-114.4	-0.6	179.2	64.9	172	0	0	0	112.3	S46 V47 P82	S46-I84 PolarHBondContact OG-O 2.81Å; V47-I84 HydrophobicContact CG2-CD1 4.44Å; P82-I84 PolarHBondContact O-N 3.09Å
85	D	96.1	Very high	93.9	Very high	5 Å²	5	54.6 Å²	54.6	3%	0.027	31%	0.305	C	S	.	.			trans	-88.2	122.1	-168.5	-71.2	41	0	0	0	110	S46 R50 Y51 N83 V119 F121	S46-D85 WeakPolarHBondContact OG-CA 3.37Å; R50-D85 VanDerWaalsContact CD-OD2 3.26Å; R50-D85 WeakPolarHBondContact CD-OD2 3.45Å; R50-D85 IonicContact CZ-OD1 3.73Å; R50-D85 IonicContact CZ-OD2 3.69Å; R50-D85 IonicContact NE-OD2 2.81Å; R50-D85 IonicContact NH1-OD1 3.79Å; R50-D85 PolarHBondContact NH1-OD1 3.25Å; R50-D85 IonicContact NH1-OD2 2.76Å; R50-D85 PolarHBondContact NH1-OD2 3.4Å; Y51-D85 HydrophobicContact CE2-CB 4.3Å; Y51-D85 VanDerWaalsContact CE2-OD2 3.29Å; Y51-D85 WeakPolarHBondContact CE2-OD2 3.39Å; Y51-D85 PolarHBondContact OH-OD2 2.67Å; N83-D85 PolarHBondContact OD1-N 2.86Å; D85-V119 HydrophobicContact CB-CB 3.95Å; D85-V119 PolarHBondContact O-N 3.2Å; D85-F121 HydrophobicContact CB-CE2 4.3Å
86	T	97.6	Very high	93.6	Very high	33 Å²	33	62.2 Å²	62.2	20%	0.202	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	138.7	-179.2	-57.6	0	0	0	0	109.2	P45 S46 P116 M117	P45-T86 CarbonylContact C-O 3.54Å; P45-T86 WeakPolarHBondContact CA-O 3.24Å; S46-T86 PolarHBondContact N-O 2.99Å; S46-T86 PolarHBondContact OG-N 2.69Å; S46-T86 PolarHBondContact OG-O 2.59Å; T86-P116 HydrophobicContact CG2-CB 4.07Å; T86-M117 CarbonylContact C-O 3.51Å; T86-M117 WeakPolarHBondContact CA-O 3.33Å; T86-M117 WeakPolarHBondContact CG2-O 3.32Å
87	L	98	Very high	93.5	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	126.5	163.8	-56	-178.2	0	0	0	108.4	L15 V43 P45 Y51 I70 P116 M117 V119	L15-L87 HydrophobicContact CD2-CD1 4.24Å; V43-L87 HydrophobicContact CG1-CB 4.09Å; V43-L87 HydrophobicContact CG1-CD1 4.47Å; P45-L87 HydrophobicContact CB-CD2 3.66Å; Y51-L87 HydrophobicContact CG-CD2 4.34Å; I70-L87 HydrophobicContact CD1-CD1 3.72Å; I70-L87 HydrophobicContact CG1-CD1 4.41Å; I70-L87 HydrophobicContact CG2-CD1 4.38Å; L87-P116 CarbonylContact O-C 3.56Å; L87-M117 HydrophobicContact CB-CB 4.39Å; L87-M117 PolarHBondContact N-O 3.05Å; L87-M117 PolarHBondContact O-N 3.33Å; L87-V119 HydrophobicContact CD1-CG2 4.27Å; L87-V119 HydrophobicContact CD2-CG2 4.4Å; L87-V119 HydrophobicContact CG-CG2 3.75Å
88	T	97.9	Very high	93.5	Very high	40 Å²	40	62.3 Å²	62.3	25%	0.245	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	115.3	172.5	-57.6	0	0	0	0	109	V43 N44 E90 R114	V43-T88 WeakPolarHBondContact CA-O 3.21Å; N44-T88 PolarHBondContact N-O 2.81Å; N44-T88 PolarHBondContact O-N 3.4Å; T88-E90 HydrophobicContact CG2-CG 4Å; T88-R114 HydrophobicContact CG2-CB 4.18Å
89	I	98	Very high	93.4	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	121.2	171.8	-53.1	83.9	0	0	0	107.6	I7 M29 L31 V43 R114 K115 M117	I7-I89 HydrophobicContact CD1-CB 4.07Å; I7-I89 HydrophobicContact CD1-CG2 3.42Å; I7-I89 VanDerWaalsContact CD1-CG2 3.42Å; M29-I89 HydrophobicContact CE-CD1 4.49Å; M29-I89 HydrophobicContact CE-CG1 3.9Å; M29-I89 HydrophobicContact SD-CD1 4.12Å; M29-I89 HydrophobicContact SD-CG1 4.14Å; L31-I89 HydrophobicContact CD1-CG2 4.27Å; L31-I89 HydrophobicContact CD2-CG2 4.5Å; V43-I89 HydrophobicContact CG2-CG1 4.27Å; I89-R114 CarbonylContact O-C 3.6Å; I89-R114 VanDerWaalsContact O-CA 3.3Å; I89-R114 WeakPolarHBondContact O-CA 3.48Å; I89-K115 WeakPolarHBondContact CD1-O 3.41Å; I89-K115 PolarHBondContact N-O 2.92Å; I89-K115 PolarHBondContact O-N 2.83Å; I89-M117 HydrophobicContact CD1-CB 4.02Å
90	E	97.4	Very high	93.5	Very high	11 Å²	11	60.4 Å²	60.4	5%	0.051	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	144.2	175.6	-53.8	-166.4	137.7	0	0	110.4	W41 R42 N44 T88 F106 V112 R113 R114	W41-E90 CarbonylContact C-O 3.55Å; W41-E90 VanDerWaalsContact CA-O 3.23Å; W41-E90 WeakPolarHBondContact CA-O 3.19Å; R42-E90 HydrophobicContact CG-CB 4.01Å; R42-E90 IonicContact CZ-OE2 3.39Å; R42-E90 PolarHBondContact N-O 3.18Å; R42-E90 IonicContact NE-OE2 3.68Å; R42-E90 PolarHBondContact NE-OE2 2.94Å; R42-E90 IonicContact NH2-OE2 2.58Å; R42-E90 PolarHBondContact NH2-OE2 3.02Å; R42-E90 PolarHBondContact O-N 2.79Å; N44-E90 PolarHBondContact ND2-OE2 3.49Å; T88-E90 HydrophobicContact CG2-CG 4Å; E90-F106 HydrophobicContact CB-CD1 4.47Å; E90-F106 HydrophobicContact CB-CE1 3.92Å; E90-V112 HydrophobicContact CB-CG1 4.04Å; E90-R113 VanDerWaalsContact CA-O 3.3Å; E90-R113 WeakPolarHBondContact CA-O 3.46Å; E90-R114 HydrophobicContact CG-CG 4.02Å; E90-R114 WeakPolarHBondContact OE1-CD 3.3Å; E90-R114 IonicContact OE1-CZ 2.78Å; E90-R114 VanDerWaalsContact OE1-CZ 3.25Å; E90-R114 IonicContact OE1-NE 3.41Å; E90-R114 PolarHBondContact OE1-NE 3.07Å; E90-R114 IonicContact OE1-NH2 2.89Å; E90-R114 PolarHBondContact OE1-NH2 2.74Å
91	W	97.2	Very high	93.6	Very high	4 Å²	4	56.4 Å²	56.4	2%	0.015	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	154.8	174.3	70.4	105.1	0	0	0	113	A5 I7 I39 A40 W41 V112 R113 K115	A5-W91 PolarHBondContact O-NE1 2.99Å; I7-W91 HydrophobicContact CD1-CD2 3.98Å; I7-W91 HydrophobicContact CD1-CE3 3.46Å; I7-W91 VanDerWaalsContact CD1-CE3 3.46Å; I7-W91 HydrophobicContact CD1-CH2 4.11Å; I7-W91 HydrophobicContact CD1-CZ3 3.54Å; I7-W91 HydrophobicContact CG1-CD2 3.95Å; I7-W91 HydrophobicContact CG1-CE3 3.79Å; I7-W91 HydrophobicContact CG1-CH2 3.67Å; I7-W91 HydrophobicContact CG1-CZ2 3.8Å; I7-W91 HydrophobicContact CG1-CZ3 3.66Å; I7-W91 HydrophobicContact CG2-CD2 3.95Å; I7-W91 HydrophobicContact CG2-CG 4.01Å; I7-W91 HydrophobicContact CG2-CZ2 4.49Å; I39-W91 HydrophobicContact CD1-CB 4.12Å; I39-W91 HydrophobicContact CD1-CG 4.33Å; A40-W91 WeakPolarHBondContact O-CA 3.45Å; A40-W91 VanDerWaalsContact O-CB 3.29Å; A40-W91 WeakPolarHBondContact O-CB 3.18Å; W41-W91 HydrophobicContact CB-CB 4.3Å; W91-V112 WeakPolarHBondContact O-CA 3.45Å; W91-R113 HydrophobicContact CD2-CB 3.75Å; W91-R113 HydrophobicContact CE3-CB 4.04Å; W91-R113 HydrophobicContact CG-CB 4.47Å; W91-R113 HydrophobicContact CH2-CB 3.62Å; W91-R113 HydrophobicContact CZ2-CB 3.3Å; W91-R113 HydrophobicContact CZ2-CG 4.07Å; W91-R113 HydrophobicContact CZ3-CB 3.97Å; W91-R113 PolarHBondContact N-O 3.38Å; W91-R113 PolarHBondContact O-N 2.76Å; W91-K115 HydrophobicContact CH2-CB 4.11Å; W91-K115 HydrophobicContact CZ3-CB 3.75Å
92	C	96.1	Very high	93.8	Very high	0 Å²	0	56 Å²	56	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	155.2	171.3	59.4	0	0	0	0	110	I39 A40 L110 V112	I39-C92 CarbonylContact C-O 3.49Å; I39-C92 WeakPolarHBondContact CA-O 2.95Å; I39-C92 VanDerWaalsContact CB-O 3.31Å; I39-C92 WeakPolarHBondContact CB-O 3.36Å; A40-C92 PolarHBondContact N-O 2.97Å; A40-C92 PolarHBondContact O-N 2.81Å; C92-L110 HydrophobicContact CB-CB 4.39Å; C92-V112 HydrophobicContact CB-CG2 4.27Å
93	E	94.6	Very high	94	Very high	40 Å²	40	52.8 Å²	52.8	19%	0.187	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	136.8	172	-65.6	-173.3	164.7	0	0	110.1	P4 K37	P4-E93 HydrophobicContact CB-CG 3.8Å; P4-E93 HydrophobicContact CG-CG 4.08Å; K37-E93 HydrophobicContact CD-CG 4.41Å; K37-E93 VanDerWaalsContact CD-OE2 3.26Å; K37-E93 WeakPolarHBondContact CD-OE2 3.21Å; K37-E93 IonicContact NZ-OE2 3.4Å; K37-E93 PolarHBondContact NZ-OE2 2.87Å
94	A	93.4	Very high	94.2	Very high	16 Å²	16	54 Å²	54	13%	0.132	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-61.6	142.6	170.7	0	0	0	0	0	110.5	L38 Q98 W105	L38-A94 HydrophobicContact CB-CB 3.91Å; L38-A94 HydrophobicContact CD2-CB 3.82Å; L38-A94 HydrophobicContact CG-CB 3.95Å; L38-A94 WeakPolarHBondContact O-CB 3.4Å; L38-A94 PolarHBondContact O-N 2.8Å; A94-Q98 HydrophobicContact CB-CB 4.19Å; A94-W105 HydrophobicContact CB-CE3 3.91Å; A94-W105 HydrophobicContact CB-CH2 3.41Å; A94-W105 VanDerWaalsContact CB-CH2 3.41Å; A94-W105 HydrophobicContact CB-CZ2 4.24Å; A94-W105 HydrophobicContact CB-CZ3 3.21Å
95	P	91.4	Very high	94.1	Very high	50 Å²	50	49.2 Å²	49.2	33%	0.325	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-54.4	155.5	165.7	-22.4	32	0	0	0	111.8	G97 Q98 W105 L110	P95-G97 PolarHBondContact O-N 3.14Å; P95-Q98 HydrophobicContact CB-CG 3.86Å; P95-Q98 HydrophobicContact CG-CG 4.19Å; P95-Q98 WeakPolarHBondContact O-CB 3.5Å; P95-Q98 WeakPolarHBondContact O-CG 3.46Å; P95-Q98 PolarHBondContact O-N 2.91Å; P95-W105 HydrophobicContact CG-CD2 4.44Å; P95-W105 HydrophobicContact CG-CG 4.48Å; P95-L110 HydrophobicContact CG-CD1 4.25Å
96	E	89.2	Confident	94	Very high	197 Å²	197	49.9 Å²	49.9	92%	0.921	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	138.8	-180	-170.5	173.1	-174.5	0	0	111.8	Q98	E96-Q98 PolarHBondContact O-N 2.84Å
97	G	90.8	Very high	93.6	Very high	73 Å²	73	53.8 Å²	53.8	75%	0.753	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	-4.6	-179.7	0	0	0	0	0	115.5	P95	P95-G97 PolarHBondContact O-N 3.14Å
98	Q	91.5	Very high	93	Very high	91 Å²	91	59.3 Å²	59.3	43%	0.425	33%	0.334	S	S	.	.			trans	-77.4	140.9	177.3	-61.4	-62.7	-32.6	0	0	111.9	L38 A94 P95 E96 W105	L38-Q98 WeakPolarHBondContact CD2-O 3.43Å; A94-Q98 HydrophobicContact CB-CB 4.19Å; P95-Q98 HydrophobicContact CB-CG 3.86Å; P95-Q98 HydrophobicContact CG-CG 4.19Å; P95-Q98 WeakPolarHBondContact O-CB 3.5Å; P95-Q98 WeakPolarHBondContact O-CG 3.46Å; P95-Q98 PolarHBondContact O-N 2.91Å; E96-Q98 PolarHBondContact O-N 2.84Å; Q98-W105 HydrophobicContact CB-CH2 3.7Å; Q98-W105 HydrophobicContact CB-CZ2 3.49Å; Q98-W105 VanDerWaalsContact CB-CZ2 3.49Å; Q98-W105 HydrophobicContact CG-CH2 4.31Å; Q98-W105 HydrophobicContact CG-CZ2 3.61Å
99	T	89.1	Confident	91.9	Very high	118 Å²	118	60.6 Å²	60.6	72%	0.724	36%	0.355	S	S	*	.			trans	-128.4	-12	179.8	56.3	0	0	0	0	113.2
100	V	90.6	Very high	91.2	Very high	102 Å²	102	62.8 Å²	62.8	62%	0.618	37%	0.367	S	S	*	.	S	Bend	trans	-117.8	145.8	-176.5	-176.4	0	0	0	0	109.1	W105	V100-W105 WeakPolarHBondContact O-CH2 3.37Å; V100-W105 WeakPolarHBondContact O-CZ2 3.23Å
101	Y	94.1	Very high	90.9	Very high	54 Å²	54	64.7 Å²	64.7	21%	0.212	38%	0.379	C	S	.	.			trans	-59.1	134.8	172.7	172.7	-108.1	0	0	0	111.8	A40 E57 G58 A103 F106	A40-Y101 HydrophobicContact CB-CD2 3.87Å; A40-Y101 HydrophobicContact CB-CE2 3.92Å; E57-Y101 HydrophobicContact CB-CE2 4.48Å; E57-Y101 HydrophobicContact CG-CE1 4.09Å; E57-Y101 VanDerWaalsContact OE1-CE1 3.23Å; E57-Y101 WeakPolarHBondContact OE1-CE1 3.27Å; E57-Y101 PolarHBondContact OE1-OH 2.78Å; E57-Y101 PolarHBondContact OE2-OH 3.19Å; E57-Y101 VanDerWaalsContact OE2-OH 3.14Å; G58-Y101 VanDerWaalsContact O-CD2 3.24Å; G58-Y101 WeakPolarHBondContact O-CD2 3.35Å; Y101-A103 HydrophobicContact CE1-CB 4.12Å; Y101-A103 WeakPolarHBondContact OH-CB 3.41Å; Y101-F106 HydrophobicContact CE2-CE2 4.15Å
102	D	93.6	Very high	90.7	Very high	45 Å²	45	66.3 Å²	66.3	24%	0.241	39%	0.389	C	S	.	.			trans	-137.6	116.7	170.7	168.8	14.9	0	0	0	109.2	E104 W105 K108	D102-E104 PolarHBondContact O-N 2.86Å; D102-E104 WeakPolarHBondContact OD1-CB 3.32Å; D102-E104 WeakPolarHBondContact OD1-CG 3.48Å; D102-E104 PolarHBondContact OD1-N 2.85Å; D102-W105 HydrophobicContact CB-CD2 4.24Å; D102-W105 HydrophobicContact CB-CG 4.36Å; D102-W105 HydrophobicContact CB-CZ2 3.95Å; D102-W105 WeakPolarHBondContact O-CB 3.24Å; D102-W105 VanDerWaalsContact O-CG 3.3Å; D102-W105 PolarHBondContact O-N 2.77Å; D102-W105 PolarHBondContact OD2-NE1 2.83Å; D102-K108 IonicContact OD2-NZ 3.05Å; D102-K108 PolarHBondContact OD2-NZ 3.28Å
103	A	93.6	Very high	90.7	Very high	45 Å²	45	69.5 Å²	69.5	37%	0.372	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-62.3	-23.1	-179.7	0	0	0	0	0	112.6	Y101 W105 F106	Y101-A103 HydrophobicContact CE1-CB 4.12Å; Y101-A103 WeakPolarHBondContact OH-CB 3.41Å; A103-W105 PolarHBondContact O-N 3.16Å; A103-F106 PolarHBondContact O-N 2.85Å
104	E	93.9	Very high	90.8	Very high	105 Å²	105	75.7 Å²	75.7	49%	0.491	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-65.9	-18.2	178.8	-60.4	-173.7	164.6	0	0	112.3	D102 F106 V107 K108	D102-E104 PolarHBondContact O-N 2.86Å; D102-E104 WeakPolarHBondContact OD1-CB 3.32Å; D102-E104 WeakPolarHBondContact OD1-CG 3.48Å; D102-E104 PolarHBondContact OD1-N 2.85Å; E104-F106 PolarHBondContact O-N 2.84Å; E104-V107 HydrophobicContact CB-CG2 4.35Å; E104-V107 WeakPolarHBondContact O-CG2 3.43Å; E104-V107 PolarHBondContact O-N 3.33Å; E104-K108 HydrophobicContact CB-CD 3.92Å; E104-K108 HydrophobicContact CB-CG 4.3Å; E104-K108 WeakPolarHBondContact O-CB 3.49Å; E104-K108 VanDerWaalsContact O-CG 3.27Å; E104-K108 WeakPolarHBondContact O-CG 3.26Å; E104-K108 PolarHBondContact O-N 3.41Å; E104-K108 WeakPolarHBondContact OE2-CE 3.39Å; E104-K108 IonicContact OE2-NZ 3.18Å; E104-K108 PolarHBondContact OE2-NZ 2.84Å
105	W	92.7	Very high	91	Very high	4 Å²	4	77.4 Å²	77.4	2%	0.015	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-60.2	-30.1	176.2	-66.4	0.6	0	0	0	112.6	L38 A40 A94 P95 Q98 V100 D102 A103 V107 L110	L38-W105 HydrophobicContact CD2-CH2 4.39Å; A40-W105 HydrophobicContact CB-CE3 3.47Å; A40-W105 VanDerWaalsContact CB-CE3 3.47Å; A40-W105 HydrophobicContact CB-CZ3 3.86Å; A94-W105 HydrophobicContact CB-CE3 3.91Å; A94-W105 HydrophobicContact CB-CH2 3.41Å; A94-W105 VanDerWaalsContact CB-CH2 3.41Å; A94-W105 HydrophobicContact CB-CZ2 4.24Å; A94-W105 HydrophobicContact CB-CZ3 3.21Å; P95-W105 HydrophobicContact CG-CD2 4.44Å; P95-W105 HydrophobicContact CG-CG 4.48Å; Q98-W105 HydrophobicContact CB-CH2 3.7Å; Q98-W105 HydrophobicContact CB-CZ2 3.49Å; Q98-W105 VanDerWaalsContact CB-CZ2 3.49Å; Q98-W105 HydrophobicContact CG-CH2 4.31Å; Q98-W105 HydrophobicContact CG-CZ2 3.61Å; V100-W105 WeakPolarHBondContact O-CH2 3.37Å; V100-W105 WeakPolarHBondContact O-CZ2 3.23Å; D102-W105 HydrophobicContact CB-CD2 4.24Å; D102-W105 HydrophobicContact CB-CG 4.36Å; D102-W105 HydrophobicContact CB-CZ2 3.95Å; D102-W105 WeakPolarHBondContact O-CB 3.24Å; D102-W105 VanDerWaalsContact O-CG 3.3Å; D102-W105 PolarHBondContact O-N 2.77Å; D102-W105 PolarHBondContact OD2-NE1 2.83Å; A103-W105 PolarHBondContact O-N 3.16Å; W105-V107 PolarHBondContact O-N 2.89Å; W105-L110 HydrophobicContact CB-CD1 3.71Å; W105-L110 HydrophobicContact CG-CD1 4.07Å; W105-L110 WeakPolarHBondContact O-CD1 3.26Å
106	F	93.1	Very high	91.2	Very high	19 Å²	19	78.9 Å²	78.9	8%	0.083	44%	0.437	C	S	.	.	G	3₁₀ helix	trans	-72.9	-13.8	176	-67.9	-82.2	0	0	0	113.9	A40 R42 E90 Y101 A103 E104 V112	A40-F106 HydrophobicContact CB-CE2 3.88Å; A40-F106 HydrophobicContact CB-CZ 4.08Å; R42-F106 HydrophobicContact CB-CZ 4.33Å; R42-F106 HydrophobicContact CG-CE1 4.02Å; R42-F106 HydrophobicContact CG-CE2 4.17Å; R42-F106 HydrophobicContact CG-CZ 3.79Å; E90-F106 HydrophobicContact CB-CD1 4.47Å; E90-F106 HydrophobicContact CB-CE1 3.92Å; Y101-F106 HydrophobicContact CE2-CE2 4.15Å; A103-F106 PolarHBondContact O-N 2.85Å; E104-F106 PolarHBondContact O-N 2.84Å; F106-V112 HydrophobicContact CD1-CG1 3.9Å; F106-V112 HydrophobicContact CD1-CG2 3.96Å; F106-V112 HydrophobicContact CE1-CG1 4.2Å
107	V	89.8	Confident	91.6	Very high	116 Å²	116	69.5 Å²	69.5	70%	0.703	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.2	-16.9	-178.8	-62.9	0	0	0	0	113.9	E104 W105 G109	E104-V107 HydrophobicContact CB-CG2 4.35Å; E104-V107 WeakPolarHBondContact O-CG2 3.43Å; E104-V107 PolarHBondContact O-N 3.33Å; W105-V107 PolarHBondContact O-N 2.89Å; V107-G109 PolarHBondContact O-N 3.12Å
108	K	85.4	Confident	91.9	Very high	116 Å²	116	69.5 Å²	69.5	50%	0.504	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	29.4	-178.3	-77.6	174.2	175.9	162.8	0	114.9	D102 E104 L110	D102-K108 IonicContact OD2-NZ 3.05Å; D102-K108 PolarHBondContact OD2-NZ 3.28Å; E104-K108 HydrophobicContact CB-CD 3.92Å; E104-K108 HydrophobicContact CB-CG 4.3Å; E104-K108 WeakPolarHBondContact O-CB 3.49Å; E104-K108 VanDerWaalsContact O-CG 3.27Å; E104-K108 WeakPolarHBondContact O-CG 3.26Å; E104-K108 PolarHBondContact O-N 3.41Å; E104-K108 WeakPolarHBondContact OE2-CE 3.39Å; E104-K108 IonicContact OE2-NZ 3.18Å; E104-K108 PolarHBondContact OE2-NZ 2.84Å; K108-L110 PolarHBondContact O-N 2.58Å
109	G	74.5	Confident	92.2	Very high	67 Å²	67	65.2 Å²	65.2	69%	0.691	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	14.9	176.9	0	0	0	0	0	115.2	V107	V107-G109 PolarHBondContact O-N 3.12Å
110	L	82.8	Confident	92.5	Very high	45 Å²	45	60.9 Å²	60.9	24%	0.236	33%	0.328	C	S	.	.			trans	-70.2	153.2	169.8	-63.9	177.4	0	0	0	110.3	C92 P95 W105 K108 V112	C92-L110 HydrophobicContact CB-CB 4.39Å; P95-L110 HydrophobicContact CG-CD1 4.25Å; W105-L110 HydrophobicContact CB-CD1 3.71Å; W105-L110 HydrophobicContact CG-CD1 4.07Å; W105-L110 WeakPolarHBondContact O-CD1 3.26Å; K108-L110 PolarHBondContact O-N 2.58Å; L110-V112 PolarHBondContact O-N 2.74Å; L110-V112 VanDerWaalsContact O-N 3.16Å
111	V	90.8	Very high	92.7	Very high	51 Å²	51	57 Å²	57	31%	0.309	30%	0.303	S	S	.	.			trans	-73.1	110.6	173.4	-179.3	0	0	0	0	109.1	M1 L3 P4	M1-V111 HydrophobicContact CG-CG2 4.38Å; M1-V111 HydrophobicContact SD-CG2 3.83Å; L3-V111 HydrophobicContact CD2-CG1 3.75Å; P4-V111 VanDerWaalsContact CG-O 3.32Å; P4-V111 WeakPolarHBondContact CG-O 3.29Å
112	V	94.6	Very high	92.7	Very high	39 Å²	39	57.6 Å²	57.6	24%	0.236	31%	0.31	C	S	.	.			trans	-93.7	122.6	174.9	-179.1	0	0	0	0	109.1	E90 W91 C92 F106 L110	E90-V112 HydrophobicContact CB-CG1 4.04Å; W91-V112 WeakPolarHBondContact O-CA 3.45Å; C92-V112 HydrophobicContact CB-CG2 4.27Å; F106-V112 HydrophobicContact CD1-CG1 3.9Å; F106-V112 HydrophobicContact CD1-CG2 3.96Å; F106-V112 HydrophobicContact CE1-CG1 4.2Å; L110-V112 PolarHBondContact O-N 2.74Å; L110-V112 VanDerWaalsContact O-N 3.16Å
113	R	96.3	Very high	92.4	Very high	66 Å²	66	61.7 Å²	61.7	25%	0.249	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	153.7	168.2	-67.9	-173.1	74.8	158.1	3.8	110	P4 D6 E90 W91	P4-R113 HydrophobicContact CB-CG 4.26Å; P4-R113 HydrophobicContact CG-CG 4.17Å; P4-R113 WeakPolarHBondContact O-CD 3.38Å; P4-R113 PolarHBondContact O-NH1 2.7Å; D6-R113 VanDerWaalsContact CG-CZ 3.46Å; D6-R113 IonicContact OD1-CZ 3.09Å; D6-R113 IonicContact OD1-NE 2.59Å; D6-R113 IonicContact OD1-NH1 2.69Å; D6-R113 PolarHBondContact OD1-NH1 2.78Å; D6-R113 IonicContact OD1-NH2 2.67Å; D6-R113 PolarHBondContact OD1-NH2 2.78Å; D6-R113 IonicContact OD2-CZ 3.25Å; D6-R113 IonicContact OD2-NH1 3.25Å; D6-R113 PolarHBondContact OD2-NH1 3.43Å; D6-R113 IonicContact OD2-NH2 2.67Å; D6-R113 PolarHBondContact OD2-NH2 3.02Å; E90-R113 VanDerWaalsContact CA-O 3.3Å; E90-R113 WeakPolarHBondContact CA-O 3.46Å; W91-R113 HydrophobicContact CD2-CB 3.75Å; W91-R113 HydrophobicContact CE3-CB 4.04Å; W91-R113 HydrophobicContact CG-CB 4.47Å; W91-R113 HydrophobicContact CH2-CB 3.62Å; W91-R113 HydrophobicContact CZ2-CB 3.3Å; W91-R113 HydrophobicContact CZ2-CG 4.07Å; W91-R113 HydrophobicContact CZ3-CB 3.97Å; W91-R113 PolarHBondContact N-O 3.38Å; W91-R113 PolarHBondContact O-N 2.76Å
114	R	96.3	Very high	92.3	Very high	171 Å²	171	62.6 Å²	62.6	65%	0.645	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.6	142.8	-178.9	-55	-175.2	168.4	159.3	-2.5	109.9	T88 I89 E90	T88-R114 HydrophobicContact CG2-CB 4.18Å; I89-R114 CarbonylContact O-C 3.6Å; I89-R114 VanDerWaalsContact O-CA 3.3Å; I89-R114 WeakPolarHBondContact O-CA 3.48Å; E90-R114 HydrophobicContact CG-CG 4.02Å; E90-R114 WeakPolarHBondContact OE1-CD 3.3Å; E90-R114 IonicContact OE1-CZ 2.78Å; E90-R114 VanDerWaalsContact OE1-CZ 3.25Å; E90-R114 IonicContact OE1-NE 3.41Å; E90-R114 PolarHBondContact OE1-NE 3.07Å; E90-R114 IonicContact OE1-NH2 2.89Å; E90-R114 PolarHBondContact OE1-NH2 2.74Å
115	K	96.7	Very high	92.2	Very high	52 Å²	52	60.3 Å²	60.3	23%	0.226	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	115.5	173.7	-177.2	179.3	-176.8	-178.7	0	108.9	T9 I89 W91	T9-K115 HydrophobicContact CG2-CD 4.46Å; T9-K115 PolarHBondContact OG1-NZ 2.83Å; I89-K115 WeakPolarHBondContact CD1-O 3.41Å; I89-K115 PolarHBondContact N-O 2.92Å; I89-K115 PolarHBondContact O-N 2.83Å; W91-K115 HydrophobicContact CH2-CB 4.11Å; W91-K115 HydrophobicContact CZ3-CB 3.75Å
116	P	97.1	Very high	92.2	Very high	81 Å²	81	63.4 Å²	63.4	53%	0.526	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	144.1	172.2	31.5	-33.2	0	0	0	110.4	T86 L87	T86-P116 HydrophobicContact CG2-CB 4.07Å; L87-P116 CarbonylContact O-C 3.56Å
117	M	97.4	Very high	92.1	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	115	169.2	173.4	-179.3	-71.7	0	0	108.1	P11 G12 S13 L15 M29 T86 L87 I89	P11-M117 HydrophobicContact CG-CE 4.41Å; P11-M117 WeakPolarHBondContact O-CE 3.32Å; G12-M117 WeakPolarHBondContact O-CE 3.25Å; S13-M117 CarbonylContact O-C 3.57Å; S13-M117 VanDerWaalsContact O-CA 3.32Å; S13-M117 WeakPolarHBondContact O-CA 3.48Å; L15-M117 HydrophobicContact CB-CG 4.26Å; L15-M117 HydrophobicContact CB-SD 3.92Å; M29-M117 HydrophobicContact CG-CE 3.99Å; M29-M117 HydrophobicContact SD-CE 3.37Å; M29-M117 WeakPolarHBondContact SD-CE 3.45Å; M29-M117 HydrophobicContact SD-SD 3.94Å; T86-M117 CarbonylContact C-O 3.51Å; T86-M117 WeakPolarHBondContact CA-O 3.33Å; T86-M117 WeakPolarHBondContact CG2-O 3.32Å; L87-M117 HydrophobicContact CB-CB 4.39Å; L87-M117 PolarHBondContact N-O 3.05Å; L87-M117 PolarHBondContact O-N 3.33Å; I89-M117 HydrophobicContact CD1-CB 4.02Å
118	N	97.3	Very high	92.3	Very high	73 Å²	73	62.9 Å²	62.9	39%	0.39	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	136	177.4	-65.7	-22.6	0	0	0	109.4	S13 E14 L15	S13-N118 PolarHBondContact O-N 3.5Å; E14-N118 CarbonylContact C-O 3.48Å; E14-N118 WeakPolarHBondContact CA-O 3.44Å; L15-N118 PolarHBondContact N-O 3.01Å
119	V	97.2	Very high	92.8	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	110.9	172.4	-171.3	0	0	0	0	108.2	L15 L17 Y51 N83 D85 L87 F121	L15-V119 HydrophobicContact CB-CG2 4.43Å; L15-V119 HydrophobicContact CD2-CG1 4.25Å; L15-V119 HydrophobicContact CD2-CG2 4.31Å; L15-V119 HydrophobicContact CG-CG1 4.46Å; L15-V119 CarbonylContact O-C 3.55Å; L15-V119 WeakPolarHBondContact O-CA 3.37Å; L17-V119 HydrophobicContact CD1-CG1 3.81Å; L17-V119 HydrophobicContact CG-CG1 4.19Å; Y51-V119 HydrophobicContact CE1-CG1 4.24Å; Y51-V119 VanDerWaalsContact OH-CG1 3.24Å; Y51-V119 WeakPolarHBondContact OH-CG1 3.37Å; N83-V119 PolarHBondContact ND2-O 2.97Å; N83-V119 PolarHBondContact OD1-O 2.75Å; D85-V119 HydrophobicContact CB-CB 3.95Å; D85-V119 PolarHBondContact O-N 3.2Å; L87-V119 HydrophobicContact CD1-CG2 4.27Å; L87-V119 HydrophobicContact CD2-CG2 4.4Å; L87-V119 HydrophobicContact CG-CG2 3.75Å; V119-F121 HydrophobicContact CG1-CE2 4.35Å; V119-F121 HydrophobicContact CG1-CZ 4.32Å
120	N	95.6	Very high	94.1	Very high	27 Å²	27	58.9 Å²	58.9	14%	0.144	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	156.5	-178.9	-64.2	-53.8	0	0	0	110.5	L15 W16 L17 N83	L15-N120 PolarHBondContact O-N 2.79Å; W16-N120 WeakPolarHBondContact CA-O 3.2Å; W16-N120 HydrophobicContact CD2-CB 3.6Å; W16-N120 HydrophobicContact CE3-CB 3.51Å; W16-N120 HydrophobicContact CG-CB 4.3Å; W16-N120 HydrophobicContact CH2-CB 3.82Å; W16-N120 HydrophobicContact CZ2-CB 3.87Å; W16-N120 HydrophobicContact CZ3-CB 3.64Å; L17-N120 PolarHBondContact N-O 3.33Å; N83-N120 PolarHBondContact ND2-OD1 2.92Å
121	F	94.8	Very high	94.9	Very high	22 Å²	22	59.9 Å²	59.9	10%	0.096	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	123	178.5	-62.9	-91.9	0	0	0	109.5	L17 C21 Y51 F75 F77 D85 V119	L17-F121 HydrophobicContact CB-CD1 3.78Å; L17-F121 HydrophobicContact CB-CE1 3.87Å; L17-F121 HydrophobicContact CD1-CE1 3.81Å; L17-F121 HydrophobicContact CD1-CZ 4.21Å; L17-F121 HydrophobicContact CG-CE1 4.46Å; L17-F121 CarbonylContact O-C 3.53Å; L17-F121 VanDerWaalsContact O-CA 3.32Å; L17-F121 WeakPolarHBondContact O-CA 3.49Å; C21-F121 WeakPolarHBondContact SG-CD1 3.16Å; C21-F121 WeakPolarHBondContact SG-CE1 3.41Å; Y51-F121 WeakPolarHBondContact OH-CZ 3.41Å; F75-F121 AromaticContact CE1-CE1 3.72Å; F75-F121 HydrophobicContact CE1-CE1 3.72Å; F75-F121 HydrophobicContact CE1-CE2 4.44Å; F75-F121 AromaticContact CE1-CZ 3.66Å; F75-F121 HydrophobicContact CE1-CZ 3.66Å; F75-F121 HydrophobicContact CZ-CD1 4.47Å; F75-F121 AromaticContact CZ-CE1 3.94Å; F75-F121 HydrophobicContact CZ-CE1 3.94Å; F75-F121 AromaticContact CZ-CE2 4Å; F75-F121 HydrophobicContact CZ-CE2 4Å; F75-F121 AromaticContact CZ-CZ 3.66Å; F75-F121 HydrophobicContact CZ-CZ 3.66Å; F77-F121 HydrophobicContact CD2-CB 4.18Å; F77-F121 HydrophobicContact CD2-CD2 4.47Å; F77-F121 HydrophobicContact CD2-CG 4.19Å; F77-F121 HydrophobicContact CE1-CB 4.49Å; F77-F121 HydrophobicContact CE2-CB 3.45Å; F77-F121 VanDerWaalsContact CE2-CB 3.45Å; F77-F121 HydrophobicContact CE2-CD2 4.14Å; F77-F121 AromaticContact CE2-CG 3.86Å; F77-F121 HydrophobicContact CE2-CG 3.86Å; F77-F121 HydrophobicContact CZ-CB 3.63Å; F77-F121 HydrophobicContact CZ-CG 4.5Å; D85-F121 HydrophobicContact CB-CE2 4.3Å; V119-F121 HydrophobicContact CG1-CE2 4.35Å; V119-F121 HydrophobicContact CG1-CZ 4.32Å
122	N	92.7	Very high	95.3	Very high	66 Å²	66	60.7 Å²	60.7	35%	0.353	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	122.8	167.3	-66.9	-43.1	0	0	0	108.4	W16 L17 N18 G19	W16-N122 WeakPolarHBondContact CZ3-OD1 3.44Å; L17-N122 PolarHBondContact O-N 3.05Å; N18-N122 PolarHBondContact OD1-ND2 2.93Å; N18-N122 VanDerWaalsContact OD1-ND2 3.16Å; G19-N122 WeakPolarHBondContact CA-O 3.32Å; G19-N122 PolarHBondContact N-O 2.81Å
123	P	87.3	Confident	95.3	Very high	131 Å²	131	62.6 Å²	62.6	85%	0.851	32%	0.316	S	S	*	.			trans	-68.4	0	-176.7	29.3	-35.5	0	0	0	113.9	F77 P79	F77-P123 HydrophobicContact CE1-CB 4.43Å; P79-P123 HydrophobicContact CB-CB 4.09Å; P79-P123 HydrophobicContact CG-CB 4.16Å

Retrieved 123 of 123 residues in 183.1 ms (Link to these results)

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