A0A5K4F9X2_SCHMA Loading...

Ovule protein

AlphaFold DB , UniProt , Accession A0A5K4F9X2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 83 aa.

						>A0A5K4F9X2_SCHMA|A0A5K4F9X2
MLRDDIMSSNRYPYIQFGDTMIQSKQSDQESCKLANNEQNSVLVFDNNRKSSNLSRFILFDDVTPYHFPYFTGICITQSWHST
					

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(Predicted Aligned Error values between residue pairs)

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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	23.2	Very low	26.6	Very low	238 Å²	238	158 Å²	158	100%	1.172	79%	0.793	S	S	*	*				0	130	0	-81.5	175.2	173.3	0	0	107.8	R3	M1-R3 PolarHBondContact O-N 3.45Å
2	L	26.6	Very low	27.4	Very low	149 Å²	149	156.6 Å²	156.6	78%	0.78	77%	0.773	S	S	*	*			trans	-54.4	128.6	166.9	-84.8	92	0	0	0	108.1
3	R	23.6	Very low	28.4	Very low	227 Å²	227	147.7 Å²	147.7	86%	0.857	73%	0.734	S	S	*	*			trans	-104.5	107.4	162.1	-84.6	-173.4	162.1	-176.4	-4.8	106.9	M1 D5	M1-R3 PolarHBondContact O-N 3.45Å; R3-D5 PolarHBondContact O-N 3.14Å
4	D	30.8	Very low	29	Very low	108 Å²	108	146.9 Å²	146.9	58%	0.578	72%	0.72	S	S	*	*			trans	-82	90.2	174.2	-63.3	-47.3	0	0	0	108	I6	D4-I6 PolarHBondContact O-N 2.93Å
5	D	24.9	Very low	29.8	Very low	149 Å²	149	139.9 Å²	139.9	80%	0.797	69%	0.686	S	S	*	*			trans	-77.9	106.5	173.1	-74.5	-32.6	0	0	0	109.2	R3	R3-D5 PolarHBondContact O-N 3.14Å
6	I	31.8	Very low	30.2	Very low	147 Å²	147	139.5 Å²	139.5	75%	0.754	68%	0.683	S	S	*	*			trans	-99	103	-177.3	-61.2	168.2	0	0	0	108	D4	D4-I6 PolarHBondContact O-N 2.93Å
7	M	26	Very low	30.6	Very low	179 Å²	179	136.8 Å²	136.8	88%	0.882	67%	0.667	S	S	*	*			trans	-97.1	153.2	175	-65.8	-165.3	105.3	0	0	112.6
8	S	22.9	Very low	31.4	Very low	108 Å²	108	132.3 Å²	132.3	76%	0.755	66%	0.661	S	S	*	*			trans	-66.8	148.7	-159.7	59	0	0	0	0	118.1
9	S	23.4	Very low	31.9	Very low	96 Å²	96	134.2 Å²	134.2	67%	0.671	67%	0.674	S	S	*	*			trans	76.2	115.9	144.1	80.9	0	0	0	0	119.3
10	N	30.4	Very low	31.9	Very low	134 Å²	134	131.7 Å²	131.7	72%	0.717	67%	0.666	S	S	*	*			trans	75.7	93.8	144.1	-62.9	-24.2	0	0	0	118.6
11	R	29.1	Very low	31.9	Very low	203 Å²	203	131.8 Å²	131.8	77%	0.766	67%	0.666	S	S	*	*	S	Bend	trans	68.3	89.2	145.3	-44.2	172.5	-166	179.3	2.7	111.4
12	Y	36.2	Very low	32.7	Very low	141 Å²	141	123.1 Å²	123.1	55%	0.553	62%	0.624	S	S	*	*				-173.4	135.2	59.4	-74.6	-89	0	0	0	106.2	F71	Y12-F71 AromaticContact CD1-CE1 3.89Å; Y12-F71 HydrophobicContact CD1-CE1 3.89Å; Y12-F71 AromaticContact CD1-CE2 3.76Å; Y12-F71 HydrophobicContact CD1-CE2 3.76Å; Y12-F71 AromaticContact CD1-CZ 3.26Å; Y12-F71 HydrophobicContact CD1-CZ 3.26Å; Y12-F71 HydrophobicContact CD2-CE1 4.09Å; Y12-F71 HydrophobicContact CD2-CE2 4.36Å; Y12-F71 AromaticContact CD2-CZ 3.41Å; Y12-F71 HydrophobicContact CD2-CZ 3.41Å; Y12-F71 VanDerWaalsContact CD2-CZ 3.41Å; Y12-F71 HydrophobicContact CE1-CD2 4.33Å; Y12-F71 HydrophobicContact CE1-CE1 4.17Å; Y12-F71 AromaticContact CE1-CE2 3.18Å; Y12-F71 HydrophobicContact CE1-CE2 3.18Å; Y12-F71 AromaticContact CE1-CZ 3.13Å; Y12-F71 HydrophobicContact CE1-CZ 3.13Å; Y12-F71 HydrophobicContact CE2-CE1 4.4Å; Y12-F71 AromaticContact CE2-CE2 3.92Å; Y12-F71 HydrophobicContact CE2-CE2 3.92Å; Y12-F71 AromaticContact CE2-CZ 3.33Å; Y12-F71 HydrophobicContact CE2-CZ 3.33Å; Y12-F71 AromaticContact CG-CE1 3.87Å; Y12-F71 HydrophobicContact CG-CE1 3.87Å; Y12-F71 HydrophobicContact CG-CE2 4.33Å; Y12-F71 AromaticContact CG-CZ 3.41Å; Y12-F71 HydrophobicContact CG-CZ 3.41Å; Y12-F71 VanDerWaalsContact CG-CZ 3.41Å; Y12-F71 AromaticContact CZ-CE2 3.27Å; Y12-F71 AromaticContact CZ-CZ 3.17Å; Y12-F71 WeakPolarHBondContact OH-CE2 3.48Å
13	P	40.1	Very low	33.1	Very low	41 Å²	41	120.8 Å²	120.8	27%	0.266	61%	0.609	S	S	.	*			trans	-141.5	-18	147.5	29.3	-11.9	0	0	0	118.3	I15 Q23 S24	P13-I15 PolarHBondContact O-N 3.4Å; P13-Q23 HydrophobicContact CB-CG 4.12Å; P13-Q23 HydrophobicContact CG-CG 4.17Å; P13-Q23 CarbonylContact O-C 3.52Å; P13-S24 WeakPolarHBondContact CB-O 3.33Å; P13-S24 VanDerWaalsContact O-CB 3.27Å; P13-S24 WeakPolarHBondContact O-CB 3.5Å; P13-S24 PolarHBondContact O-N 3.25Å
14	Y	37	Very low	33.8	Very low	136 Å²	136	111.4 Å²	111.4	53%	0.533	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.8	115.3	-173.2	-58.4	-90.4	0	0	0	110.7	I22 Q23	Y14-I22 CarbonylContact C-O 3.46Å; Y14-I22 VanDerWaalsContact CA-O 3.26Å; Y14-I22 WeakPolarHBondContact CA-O 3.29Å; Y14-Q23 HydrophobicContact CD1-CB 3.58Å; Y14-Q23 HydrophobicContact CD1-CG 3.89Å; Y14-Q23 HydrophobicContact CE1-CB 3.27Å; Y14-Q23 VanDerWaalsContact CE1-CD 3.44Å; Y14-Q23 HydrophobicContact CE1-CG 3.31Å; Y14-Q23 HydrophobicContact CE2-CG 4.03Å; Y14-Q23 HydrophobicContact CG-CB 4.48Å; Y14-Q23 PolarHBondContact OH-NE2 2.85Å; Y14-Q23 PolarHBondContact OH-OE1 3.33Å
15	I	41.5	Very low	34.1	Very low	42 Å²	42	113 Å²	113	22%	0.215	58%	0.579	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.3	122.8	159.8	-60.2	-171.4	0	0	0	107.7	P13 F17 I22 F60 I74	P13-I15 PolarHBondContact O-N 3.4Å; I15-F17 HydrophobicContact CB-CE2 4.21Å; I15-F17 HydrophobicContact CG2-CD2 3.88Å; I15-F17 HydrophobicContact CG2-CE2 3.53Å; I15-F17 HydrophobicContact CG2-CZ 4.16Å; I15-I22 PolarHBondContact N-O 3.27Å; I15-I22 PolarHBondContact O-N 3.12Å; I15-F60 HydrophobicContact CD1-CE2 3.87Å; I15-F60 HydrophobicContact CD1-CZ 3.72Å; I15-F60 HydrophobicContact CG2-CZ 4.1Å; I15-I74 HydrophobicContact CB-CD1 3.87Å; I15-I74 HydrophobicContact CD1-CB 3.52Å; I15-I74 HydrophobicContact CD1-CD1 3.5Å; I15-I74 HydrophobicContact CD1-CG1 3.77Å; I15-I74 HydrophobicContact CD1-CG2 4.36Å; I15-I74 HydrophobicContact CG1-CD1 3.73Å; I15-I74 HydrophobicContact CG1-CG1 4.46Å
16	Q	36.4	Very low	34.8	Very low	134 Å²	134	115.8 Å²	115.8	63%	0.626	59%	0.588	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88.1	119	175	-178.6	172.4	2.4	0	0	109.4	G18 T20 M21	Q16-G18 WeakPolarHBondContact CG-O 3.43Å; Q16-G18 PolarHBondContact NE2-O 3.4Å; Q16-T20 CarbonylContact C-O 3.44Å; Q16-T20 VanDerWaalsContact CA-O 3.25Å; Q16-T20 WeakPolarHBondContact CA-O 3.44Å; Q16-M21 HydrophobicContact CB-CG 4.43Å; Q16-M21 HydrophobicContact CG-CG 4.35Å
17	F	35.9	Very low	35.6	Very low	94 Å²	94	109.4 Å²	109.4	41%	0.412	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.8	98.6	168.3	-75.1	-91.1	0	0	0	108.2	I15 D19 T20 I22 F60	I15-F17 HydrophobicContact CB-CE2 4.21Å; I15-F17 HydrophobicContact CG2-CD2 3.88Å; I15-F17 HydrophobicContact CG2-CE2 3.53Å; I15-F17 HydrophobicContact CG2-CZ 4.16Å; F17-D19 PolarHBondContact O-N 3.08Å; F17-T20 PolarHBondContact N-O 3.42Å; F17-T20 WeakPolarHBondContact O-CB 3.22Å; F17-T20 PolarHBondContact O-N 2.98Å; F17-I22 HydrophobicContact CD2-CD1 3.74Å; F17-I22 HydrophobicContact CD2-CG1 4.38Å; F17-I22 HydrophobicContact CE2-CD1 3.99Å; F17-F60 AromaticContact CE1-CE1 3.8Å; F17-F60 HydrophobicContact CE1-CE1 3.8Å; F17-F60 HydrophobicContact CE2-CE1 4.49Å; F17-F60 AromaticContact CZ-CE1 3.47Å; F17-F60 HydrophobicContact CZ-CE1 3.47Å; F17-F60 VanDerWaalsContact CZ-CE1 3.47Å; F17-F60 AromaticContact CZ-CZ 3.89Å; F17-F60 HydrophobicContact CZ-CZ 3.89Å
18	G	44.6	Very low	36.8	Very low	55 Å²	55	104.4 Å²	104.4	57%	0.567	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	-121.4	-173	0	0	0	0	0	111	Q16 T20	Q16-G18 WeakPolarHBondContact CG-O 3.43Å; Q16-G18 PolarHBondContact NE2-O 3.4Å; G18-T20 VanDerWaalsContact C-N 3.31Å
19	D	42.1	Very low	38	Very low	168 Å²	168	106.1 Å²	106.1	90%	0.898	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	1.8	179.5	26.1	-44.8	0	0	0	113	F17	F17-D19 PolarHBondContact O-N 3.08Å
20	T	32	Very low	39.3	Very low	84 Å²	84	108.8 Å²	108.8	52%	0.515	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	128.7	177.4	-54.6	0	0	0	0	111.5	Q16 F17 G18 I22	Q16-T20 CarbonylContact C-O 3.44Å; Q16-T20 VanDerWaalsContact CA-O 3.25Å; Q16-T20 WeakPolarHBondContact CA-O 3.44Å; F17-T20 PolarHBondContact N-O 3.42Å; F17-T20 WeakPolarHBondContact O-CB 3.22Å; F17-T20 PolarHBondContact O-N 2.98Å; G18-T20 VanDerWaalsContact C-N 3.31Å; T20-I22 HydrophobicContact CG2-CG1 4.3Å
21	M	31.1	Very low	40.3	Very low	135 Å²	135	102.6 Å²	102.6	67%	0.665	50%	0.498	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.2	119.8	171	-65.8	-174.1	-70.3	0	0	110.4	Q16	Q16-M21 HydrophobicContact CB-CG 4.43Å; Q16-M21 HydrophobicContact CG-CG 4.35Å
22	I	40.4	Very low	41.1	Very low	56 Å²	56	93.8 Å²	93.8	29%	0.287	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	109.8	176.1	-57.2	179.1	0	0	0	108.7	Y14 I15 F17 T20 S24 I74	Y14-I22 CarbonylContact C-O 3.46Å; Y14-I22 VanDerWaalsContact CA-O 3.26Å; Y14-I22 WeakPolarHBondContact CA-O 3.29Å; I15-I22 PolarHBondContact N-O 3.27Å; I15-I22 PolarHBondContact O-N 3.12Å; F17-I22 HydrophobicContact CD2-CD1 3.74Å; F17-I22 HydrophobicContact CD2-CG1 4.38Å; F17-I22 HydrophobicContact CE2-CD1 3.99Å; T20-I22 HydrophobicContact CG2-CG1 4.3Å; I22-S24 PolarHBondContact O-N 2.65Å; I22-I74 HydrophobicContact CG2-CD1 4.39Å
23	Q	34.9	Very low	41.9	Very low	100 Å²	100	92.5 Å²	92.5	47%	0.467	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	108.2	173	-168.7	173.6	-10.1	0	0	111	P13 Y14	P13-Q23 HydrophobicContact CB-CG 4.12Å; P13-Q23 HydrophobicContact CG-CG 4.17Å; P13-Q23 CarbonylContact O-C 3.52Å; Y14-Q23 HydrophobicContact CD1-CB 3.58Å; Y14-Q23 HydrophobicContact CD1-CG 3.89Å; Y14-Q23 HydrophobicContact CE1-CB 3.27Å; Y14-Q23 VanDerWaalsContact CE1-CD 3.44Å; Y14-Q23 HydrophobicContact CE1-CG 3.31Å; Y14-Q23 HydrophobicContact CE2-CG 4.03Å; Y14-Q23 HydrophobicContact CG-CB 4.48Å; Y14-Q23 PolarHBondContact OH-NE2 2.85Å; Y14-Q23 PolarHBondContact OH-OE1 3.33Å
24	S	37.6	Very low	42.5	Very low	29 Å²	29	94.4 Å²	94.4	20%	0.203	47%	0.472	C	S	.	.			trans	-60.7	130.9	165.3	-164.7	0	0	0	0	110	P13 I22 C75	P13-S24 WeakPolarHBondContact CB-O 3.33Å; P13-S24 VanDerWaalsContact O-CB 3.27Å; P13-S24 WeakPolarHBondContact O-CB 3.5Å; P13-S24 PolarHBondContact O-N 3.25Å; I22-S24 PolarHBondContact O-N 2.65Å; S24-C75 PolarHBondContact OG-O 3.11Å
25	K	38.6	Very low	43.2	Very low	142 Å²	142	88 Å²	88	62%	0.617	45%	0.447	S	S	*	.			trans	-87	161.7	168.4	-68.1	-178.5	176.8	-175.7	0	107.4	S27	K25-S27 PolarHBondContact O-N 3.49Å
26	Q	38.3	Very low	43.6	Very low	207 Å²	207	88.5 Å²	88.5	97%	0.967	45%	0.451	S	S	*	.			trans	-64.6	66.5	162	-96.3	-173.2	-8.9	0	0	109	D28	Q26-D28 PolarHBondContact O-N 3.03Å
27	S	48.7	Very low	44.4	Very low	14 Å²	14	88.4 Å²	88.4	10%	0.098	45%	0.454	C	S	.	.			trans	-76.5	128.1	170.8	52	0	0	0	0	108.8	K25 Q29 C32 T77	K25-S27 PolarHBondContact O-N 3.49Å; S27-Q29 PolarHBondContact O-N 2.88Å; S27-C32 PolarHBondContact OG-SG 2.84Å; S27-T77 WeakPolarHBondContact CB-OG1 3.26Å; S27-T77 WeakPolarHBondContact OG-CB 3.4Å; S27-T77 PolarHBondContact OG-OG1 3.41Å
28	D	51.3	Low	45.3	Very low	73 Å²	73	89.3 Å²	89.3	39%	0.39	46%	0.46	S	S	.	.			trans	-0.8	91.2	171.1	-70.2	-40.8	0	0	0	110.9	Q26 E30 S31 C32	Q26-D28 PolarHBondContact O-N 3.03Å; D28-E30 CarbonylContact O-C 3.58Å; D28-E30 PolarHBondContact O-N 2.94Å; D28-S31 WeakPolarHBondContact CB-OG 3.45Å; D28-S31 WeakPolarHBondContact O-CA 3.4Å; D28-S31 PolarHBondContact O-N 3Å; D28-C32 PolarHBondContact O-N 2.88Å
29	Q	47.9	Very low	45.7	Very low	144 Å²	144	93.3 Å²	93.3	67%	0.673	46%	0.464	S	S	*	.	H	α-helix	trans	-52.3	-29.4	-178.3	-167.2	-173.9	4.2	0	0	109.7	S27 K33	S27-Q29 PolarHBondContact O-N 2.88Å; Q29-K33 HydrophobicContact CG-CD 4.44Å; Q29-K33 VanDerWaalsContact O-CB 3.25Å; Q29-K33 WeakPolarHBondContact O-CB 2.77Å; Q29-K33 WeakPolarHBondContact O-CD 3.47Å; Q29-K33 WeakPolarHBondContact O-CG 2.75Å; Q29-K33 PolarHBondContact O-N 2.83Å
30	E	51.2	Low	45.9	Very low	152 Å²	152	90.1 Å²	90.1	71%	0.71	45%	0.446	S	S	*	.	H	α-helix	trans	-65.8	-51.3	169.3	-62	-163.2	141.7	0	0	113.6	D28 C32 K33 L34	D28-E30 CarbonylContact O-C 3.58Å; D28-E30 PolarHBondContact O-N 2.94Å; E30-C32 VanDerWaalsContact C-N 3.27Å; E30-C32 PolarHBondContact O-N 2.69Å; E30-K33 PolarHBondContact O-N 2.01Å; E30-K33 VanDerWaalsContact O-N 3.16Å; E30-L34 WeakPolarHBondContact O-CB 3.49Å; E30-L34 VanDerWaalsContact O-CG 3.26Å; E30-L34 WeakPolarHBondContact O-CG 3.5Å; E30-L34 PolarHBondContact O-N 2.95Å
31	S	50.7	Low	46.5	Very low	5 Å²	5	89.3 Å²	89.3	4%	0.035	45%	0.445	C	S	.	.	H	α-helix	trans	-59.2	-37.4	176.2	-53.9	0	0	0	0	112.7	D28 A35 V44 S55	D28-S31 WeakPolarHBondContact CB-OG 3.45Å; D28-S31 WeakPolarHBondContact O-CA 3.4Å; D28-S31 PolarHBondContact O-N 3Å; S31-A35 VanDerWaalsContact O-CB 3.25Å; S31-A35 WeakPolarHBondContact O-CB 3.31Å; S31-A35 PolarHBondContact O-N 2.8Å; S31-V44 WeakPolarHBondContact OG-CG2 3.11Å; S31-S55 WeakPolarHBondContact CB-OG 3.47Å
32	C	45.8	Very low	47.1	Very low	17 Å²	17	84 Å²	84	12%	0.115	42%	0.42	C	S	.	.	H	α-helix	trans	-71.5	-40.6	174.6	-66.1	0	0	0	0	112.8	S27 D28 E30 L34 A35 N36 C75	S27-C32 PolarHBondContact OG-SG 2.84Å; D28-C32 PolarHBondContact O-N 2.88Å; E30-C32 VanDerWaalsContact C-N 3.27Å; E30-C32 PolarHBondContact O-N 2.69Å; C32-L34 VanDerWaalsContact C-N 3.3Å; C32-L34 PolarHBondContact O-N 2.79Å; C32-A35 PolarHBondContact O-N 3.01Å; C32-N36 WeakPolarHBondContact O-CB 3.09Å; C32-N36 PolarHBondContact O-N 3.22Å; C32-C75 VanDerWaalsContact CA-SG 3.51Å; C32-C75 HydrophobicContact CB-CB 3.6Å; C32-C75 WeakPolarHBondContact CB-SG 3.33Å; C32-C75 WeakPolarHBondContact SG-CB 3.04Å; C32-C75 CovalentContact SG-SG 2.01Å; C32-C75 PolarHBondContact SG-SG 2.87Å
33	K	52.9	Low	47.3	Very low	114 Å²	114	85.1 Å²	85.1	50%	0.496	43%	0.426	S	S	.	.	H	α-helix	trans	-60.5	-42.1	172.9	-81.4	168.9	-179.6	174.6	0	111	Q29 E30 N36 N37	Q29-K33 HydrophobicContact CG-CD 4.44Å; Q29-K33 VanDerWaalsContact O-CB 3.25Å; Q29-K33 WeakPolarHBondContact O-CB 2.77Å; Q29-K33 WeakPolarHBondContact O-CD 3.47Å; Q29-K33 WeakPolarHBondContact O-CG 2.75Å; Q29-K33 PolarHBondContact O-N 2.83Å; E30-K33 PolarHBondContact O-N 2.01Å; E30-K33 VanDerWaalsContact O-N 3.16Å; K33-N36 PolarHBondContact O-N 2.79Å; K33-N37 WeakPolarHBondContact O-CB 3.33Å; K33-N37 VanDerWaalsContact O-CG 3.32Å; K33-N37 PolarHBondContact O-N 2.94Å
34	L	52.8	Low	47.7	Very low	82 Å²	82	82.7 Å²	82.7	43%	0.429	42%	0.417	S	S	.	.	H	α-helix	trans	-63.9	-50.2	175.6	-71.6	168.4	0	0	0	111	E30 C32 N36 N37 E38 V42	E30-L34 WeakPolarHBondContact O-CB 3.49Å; E30-L34 VanDerWaalsContact O-CG 3.26Å; E30-L34 WeakPolarHBondContact O-CG 3.5Å; E30-L34 PolarHBondContact O-N 2.95Å; C32-L34 VanDerWaalsContact C-N 3.3Å; C32-L34 PolarHBondContact O-N 2.79Å; L34-N36 VanDerWaalsContact C-N 3.29Å; L34-N36 PolarHBondContact O-N 2.95Å; L34-N37 PolarHBondContact O-N 3.16Å; L34-N37 VanDerWaalsContact O-N 3.17Å; L34-E38 WeakPolarHBondContact O-CB 3.27Å; L34-E38 PolarHBondContact O-N 3.32Å; L34-V42 HydrophobicContact CB-CG2 4.15Å
35	A	52.4	Low	47.8	Very low	0 Å²	0	87.3 Å²	87.3	0%	0	43%	0.434	C	S	.	.	H	α-helix	trans	-59	-38	177.9	0	0	0	0	0	112.9	S31 C32 Q39 N40 V42 F57	S31-A35 VanDerWaalsContact O-CB 3.25Å; S31-A35 WeakPolarHBondContact O-CB 3.31Å; S31-A35 PolarHBondContact O-N 2.8Å; C32-A35 PolarHBondContact O-N 3.01Å; A35-Q39 CarbonylContact O-C 3.59Å; A35-Q39 VanDerWaalsContact O-CA 3.26Å; A35-Q39 WeakPolarHBondContact O-CA 3Å; A35-Q39 PolarHBondContact O-N 2.85Å; A35-N40 CarbonylContact C-O 3.6Å; A35-N40 WeakPolarHBondContact CA-O 3.39Å; A35-N40 WeakPolarHBondContact CB-O 3.32Å; A35-N40 PolarHBondContact O-N 2.87Å; A35-V42 HydrophobicContact CB-CB 4.35Å; A35-V42 HydrophobicContact CB-CG2 3.87Å; A35-F57 HydrophobicContact CB-CB 3.74Å
36	N	50.7	Low	48.1	Very low	54 Å²	54	82.9 Å²	82.9	29%	0.289	42%	0.417	S	S	.	.	H	α-helix	trans	-69.5	-45	174.7	-177.7	44.6	0	0	0	112.2	C32 K33 L34 E38 Q39 F57	C32-N36 WeakPolarHBondContact O-CB 3.09Å; C32-N36 PolarHBondContact O-N 3.22Å; K33-N36 PolarHBondContact O-N 2.79Å; L34-N36 VanDerWaalsContact C-N 3.29Å; L34-N36 PolarHBondContact O-N 2.95Å; N36-E38 VanDerWaalsContact C-N 3.33Å; N36-E38 PolarHBondContact O-N 2.81Å; N36-Q39 PolarHBondContact O-N 3.38Å; N36-F57 HydrophobicContact CB-CD1 3.81Å; N36-F57 HydrophobicContact CB-CD2 4.14Å; N36-F57 HydrophobicContact CB-CE1 3.96Å; N36-F57 HydrophobicContact CB-CE2 4.3Å; N36-F57 HydrophobicContact CB-CG 3.9Å; N36-F57 HydrophobicContact CB-CZ 4.21Å; N36-F57 WeakPolarHBondContact OD1-CD1 2.95Å; N36-F57 WeakPolarHBondContact OD1-CE1 3.44Å
37	N	52.9	Low	48.2	Very low	132 Å²	132	80.2 Å²	80.2	71%	0.706	41%	0.41	S	S	*	.	H	α-helix	trans	-64.2	-38.5	179.3	-78.6	-10.4	0	0	0	112.3	K33 L34 Q39	K33-N37 WeakPolarHBondContact O-CB 3.33Å; K33-N37 VanDerWaalsContact O-CG 3.32Å; K33-N37 PolarHBondContact O-N 2.94Å; L34-N37 PolarHBondContact O-N 3.16Å; L34-N37 VanDerWaalsContact O-N 3.17Å; N37-Q39 VanDerWaalsContact C-N 3.32Å
38	E	54.7	Low	48.1	Very low	113 Å²	113	87.1 Å²	87.1	53%	0.528	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-6.9	177.7	-64.6	-175.3	-175.3	0	0	112.9	L34 N36 N40	L34-E38 WeakPolarHBondContact O-CB 3.27Å; L34-E38 PolarHBondContact O-N 3.32Å; N36-E38 VanDerWaalsContact C-N 3.33Å; N36-E38 PolarHBondContact O-N 2.81Å; E38-N40 HydrophobicContact CB-CB 4.14Å; E38-N40 PolarHBondContact O-N 2.7Å; E38-N40 VanDerWaalsContact O-N 3.11Å; E38-N40 PolarHBondContact O-ND2 3.47Å; E38-N40 VanDerWaalsContact O-ND2 3.1Å
39	Q	52.6	Low	48.1	Very low	138 Å²	138	92.8 Å²	92.8	65%	0.645	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	30	-169.9	-57.3	-171.9	-26.1	0	0	113.3	A35 N36 N37 L59	A35-Q39 CarbonylContact O-C 3.59Å; A35-Q39 VanDerWaalsContact O-CA 3.26Å; A35-Q39 WeakPolarHBondContact O-CA 3Å; A35-Q39 PolarHBondContact O-N 2.85Å; N36-Q39 PolarHBondContact O-N 3.38Å; N37-Q39 VanDerWaalsContact C-N 3.32Å; Q39-L59 HydrophobicContact CB-CD1 4.42Å; Q39-L59 HydrophobicContact CG-CD1 4Å
40	N	46.7	Very low	48.2	Very low	101 Å²	101	94.3 Å²	94.3	54%	0.54	47%	0.466	S	S	.	.	S	Bend	trans	-131.6	164.9	-171.6	-80.5	-39.9	0	0	0	111.4	A35 E38	A35-N40 CarbonylContact C-O 3.6Å; A35-N40 WeakPolarHBondContact CA-O 3.39Å; A35-N40 WeakPolarHBondContact CB-O 3.32Å; A35-N40 PolarHBondContact O-N 2.87Å; E38-N40 HydrophobicContact CB-CB 4.14Å; E38-N40 PolarHBondContact O-N 2.7Å; E38-N40 VanDerWaalsContact O-N 3.11Å; E38-N40 PolarHBondContact O-ND2 3.47Å; E38-N40 VanDerWaalsContact O-ND2 3.1Å
41	S	45.1	Very low	48.3	Very low	68 Å²	68	87.5 Å²	87.5	48%	0.476	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	129.1	169	55	0	0	0	0	111.6	S55	S41-S55 CarbonylContact C-O 3.54Å
42	V	43.4	Very low	48.5	Very low	23 Å²	23	88.7 Å²	88.7	14%	0.139	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	117.5	178	-178.9	0	0	0	0	109.7	L34 A35 V44 S55	L34-V42 HydrophobicContact CB-CG2 4.15Å; A35-V42 HydrophobicContact CB-CB 4.35Å; A35-V42 HydrophobicContact CB-CG2 3.87Å; V42-V44 HydrophobicContact CG1-CG2 3.83Å; V42-S55 CarbonylContact C-O 3.6Å; V42-S55 PolarHBondContact N-O 3.5Å; V42-S55 WeakPolarHBondContact O-CA 3.26Å; V42-S55 PolarHBondContact O-N 3.31Å
43	L	43.3	Very low	48.8	Very low	80 Å²	80	89.1 Å²	89.1	42%	0.419	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	121.3	171.1	-177	65.6	0	0	0	109.3	F45 L54	L43-F45 HydrophobicContact CD2-CE1 4.38Å; L43-F45 HydrophobicContact CD2-CE2 3.55Å; L43-F45 HydrophobicContact CD2-CZ 3.45Å; L43-F45 VanDerWaalsContact CD2-CZ 3.45Å; L43-F45 HydrophobicContact CG-CD2 4.41Å; L43-F45 HydrophobicContact CG-CE2 3.84Å; L43-F45 HydrophobicContact CG-CZ 4.07Å; L43-L54 HydrophobicContact CB-CD1 3.73Å; L43-L54 HydrophobicContact CD1-CB 3.64Å; L43-L54 HydrophobicContact CD1-CD1 3.82Å; L43-L54 HydrophobicContact CD1-CG 4.27Å; L43-L54 HydrophobicContact CG-CD1 4.34Å
44	V	43.6	Very low	48.8	Very low	48 Å²	48	84.7 Å²	84.7	29%	0.291	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	123.8	175.6	-177.2	0	0	0	0	109.6	S31 V42 N53	S31-V44 WeakPolarHBondContact OG-CG2 3.11Å; V42-V44 HydrophobicContact CG1-CG2 3.83Å; V44-N53 PolarHBondContact N-O 2.96Å; V44-N53 PolarHBondContact O-N 3.17Å
45	F	40.2	Very low	48.9	Very low	126 Å²	126	80.8 Å²	80.8	55%	0.553	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.5	119.5	175.2	-67.3	-90.3	0	0	0	109.3	L43 N47 S52	L43-F45 HydrophobicContact CD2-CE1 4.38Å; L43-F45 HydrophobicContact CD2-CE2 3.55Å; L43-F45 HydrophobicContact CD2-CZ 3.45Å; L43-F45 VanDerWaalsContact CD2-CZ 3.45Å; L43-F45 HydrophobicContact CG-CD2 4.41Å; L43-F45 HydrophobicContact CG-CE2 3.84Å; L43-F45 HydrophobicContact CG-CZ 4.07Å; F45-N47 PolarHBondContact O-N 3.21Å; F45-S52 WeakPolarHBondContact CD1-OG 3.26Å; F45-S52 WeakPolarHBondContact CE1-OG 3.41Å
46	D	44.7	Very low	48.7	Very low	50 Å²	50	87 Å²	87	27%	0.267	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	92.3	169.5	-174	-8.1	0	0	0	108.7	N48 R49 K50 S51	D46-N48 PolarHBondContact O-N 2.98Å; D46-N48 VanDerWaalsContact O-N 3.12Å; D46-N48 WeakPolarHBondContact OD1-CA 3.25Å; D46-N48 WeakPolarHBondContact OD1-CB 3.44Å; D46-N48 PolarHBondContact OD1-N 2.74Å; D46-R49 HydrophobicContact CB-CB 4.46Å; D46-R49 PolarHBondContact O-N 2.81Å; D46-R49 VanDerWaalsContact O-N 3.14Å; D46-R49 PolarHBondContact OD1-N 2.9Å; D46-R49 WeakPolarHBondContact OD2-CD 3.1Å; D46-R49 WeakPolarHBondContact OD2-CG 3.39Å; D46-K50 PolarHBondContact O-N 3.49Å; D46-S51 WeakPolarHBondContact CB-O 3.16Å; D46-S51 PolarHBondContact N-O 2.79Å
47	N	40.7	Very low	48.8	Very low	151 Å²	151	86.1 Å²	86.1	81%	0.807	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-19.6	177.2	-80.5	-14.7	0	0	0	112.9	F45	F45-N47 PolarHBondContact O-N 3.21Å
48	N	47.3	Very low	49	Very low	158 Å²	158	83.8 Å²	83.8	85%	0.845	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-21.6	179.7	-67.4	-30.4	0	0	0	112.9	D46	D46-N48 PolarHBondContact O-N 2.98Å; D46-N48 VanDerWaalsContact O-N 3.12Å; D46-N48 WeakPolarHBondContact OD1-CA 3.25Å; D46-N48 WeakPolarHBondContact OD1-CB 3.44Å; D46-N48 PolarHBondContact OD1-N 2.74Å
49	R	50	Low	48.8	Very low	193 Å²	193	81.5 Å²	81.5	73%	0.728	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.4	5	-173.2	-75.2	-173.2	169.9	-171.9	-0.6	115.7	D46 S51	D46-R49 HydrophobicContact CB-CB 4.46Å; D46-R49 PolarHBondContact O-N 2.81Å; D46-R49 VanDerWaalsContact O-N 3.14Å; D46-R49 PolarHBondContact OD1-N 2.9Å; D46-R49 WeakPolarHBondContact OD2-CD 3.1Å; D46-R49 WeakPolarHBondContact OD2-CG 3.39Å; R49-S51 VanDerWaalsContact CB-OG 3.29Å; R49-S51 WeakPolarHBondContact CB-OG 3.25Å; R49-S51 PolarHBondContact O-N 3.4Å; R49-S51 VanDerWaalsContact O-N 3.08Å
50	K	50.5	Low	48.8	Very low	175 Å²	175	78.2 Å²	78.2	76%	0.761	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.6	33.6	-169.6	-62.9	-175	177.9	-177.1	0	111.4	D46	D46-K50 PolarHBondContact O-N 3.49Å
51	S	53.5	Low	48.8	Very low	9 Å²	9	80.4 Å²	80.4	6%	0.063	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	135.4	-179.7	58.9	0	0	0	0	108.8	D46 R49 W80	D46-S51 WeakPolarHBondContact CB-O 3.16Å; D46-S51 PolarHBondContact N-O 2.79Å; R49-S51 VanDerWaalsContact CB-OG 3.29Å; R49-S51 WeakPolarHBondContact CB-OG 3.25Å; R49-S51 PolarHBondContact O-N 3.4Å; R49-S51 VanDerWaalsContact O-N 3.08Å; S51-W80 VanDerWaalsContact CA-O 3.31Å; S51-W80 WeakPolarHBondContact CA-O 3.24Å
52	S	53.8	Low	48.8	Very low	31 Å²	31	85 Å²	85	22%	0.217	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128.1	172.1	-53.7	0	0	0	0	108	F45 S79 W80	F45-S52 WeakPolarHBondContact CD1-OG 3.26Å; F45-S52 WeakPolarHBondContact CE1-OG 3.41Å; S52-S79 CarbonylContact O-C 3.46Å; S52-S79 WeakPolarHBondContact O-CA 3.43Å; S52-W80 PolarHBondContact N-O 2.78Å; S52-W80 PolarHBondContact O-N 2.56Å
53	N	52.5	Low	48.7	Very low	25 Å²	25	88.6 Å²	88.6	13%	0.134	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	114.6	175.3	-71.8	-23.1	0	0	0	109	V44 T77 Q78 S79	V44-N53 PolarHBondContact N-O 2.96Å; V44-N53 PolarHBondContact O-N 3.17Å; N53-T77 HydrophobicContact CB-CG2 3.97Å; N53-Q78 CarbonylContact C-O 3.58Å; N53-Q78 WeakPolarHBondContact CA-O 3.1Å; N53-S79 WeakPolarHBondContact OD1-CA 3.48Å; N53-S79 WeakPolarHBondContact OD1-CB 3.27Å; N53-S79 PolarHBondContact OD1-OG 2.98Å
54	L	53.9	Low	48.7	Very low	21 Å²	21	89.6 Å²	89.6	11%	0.11	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	109.8	170.5	-179.4	61	0	0	0	109.3	L43 R56 T77 Q78	L43-L54 HydrophobicContact CB-CD1 3.73Å; L43-L54 HydrophobicContact CD1-CB 3.64Å; L43-L54 HydrophobicContact CD1-CD1 3.82Å; L43-L54 HydrophobicContact CD1-CG 4.27Å; L43-L54 HydrophobicContact CG-CD1 4.34Å; L54-R56 HydrophobicContact CG-CG 4.27Å; L54-T77 CarbonylContact O-C 3.53Å; L54-T77 VanDerWaalsContact O-CA 3.27Å; L54-T77 WeakPolarHBondContact O-CA 3.02Å; L54-Q78 PolarHBondContact N-O 3.07Å; L54-Q78 PolarHBondContact O-N 3.28Å
55	S	54.2	Low	48.6	Very low	0 Å²	0	93.3 Å²	93.3	0%	0	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	131.8	173.9	-55.3	0	0	0	0	109.9	S31 S41 V42 I76 T77	S31-S55 WeakPolarHBondContact CB-OG 3.47Å; S41-S55 CarbonylContact C-O 3.54Å; V42-S55 CarbonylContact C-O 3.6Å; V42-S55 PolarHBondContact N-O 3.5Å; V42-S55 WeakPolarHBondContact O-CA 3.26Å; V42-S55 PolarHBondContact O-N 3.31Å; S55-I76 CarbonylContact C-O 3.47Å; S55-I76 VanDerWaalsContact CA-O 3.32Å; S55-I76 WeakPolarHBondContact CA-O 3.27Å; S55-T77 WeakPolarHBondContact CB-OG1 3.02Å; S55-T77 PolarHBondContact OG-OG1 2.63Å
56	R	47.8	Very low	48.6	Very low	130 Å²	130	95.7 Å²	95.7	49%	0.491	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	129.7	173.8	-52.4	-159.9	175.7	168.7	-1.8	109.2	L54 C75 I76	L54-R56 HydrophobicContact CG-CG 4.27Å; R56-C75 CarbonylContact O-C 3.55Å; R56-C75 WeakPolarHBondContact O-CA 3.35Å; R56-I76 PolarHBondContact N-O 3.22Å; R56-I76 PolarHBondContact O-N 2.8Å
57	F	54.1	Low	48.4	Very low	37 Å²	37	101.8 Å²	101.8	16%	0.162	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	127.6	170.1	-161.7	-100.6	0	0	0	109.3	A35 N36 L59 G73 I74 C75	A35-F57 HydrophobicContact CB-CB 3.74Å; N36-F57 HydrophobicContact CB-CD1 3.81Å; N36-F57 HydrophobicContact CB-CD2 4.14Å; N36-F57 HydrophobicContact CB-CE1 3.96Å; N36-F57 HydrophobicContact CB-CE2 4.3Å; N36-F57 HydrophobicContact CB-CG 3.9Å; N36-F57 HydrophobicContact CB-CZ 4.21Å; N36-F57 WeakPolarHBondContact OD1-CD1 2.95Å; N36-F57 WeakPolarHBondContact OD1-CE1 3.44Å; F57-L59 HydrophobicContact CD1-CD2 4.13Å; F57-L59 HydrophobicContact CD1-CG 4.16Å; F57-L59 HydrophobicContact CE1-CD2 3.62Å; F57-L59 HydrophobicContact CE1-CG 4.13Å; F57-G73 VanDerWaalsContact CZ-C 3.48Å; F57-I74 CarbonylContact C-O 3.57Å; F57-I74 WeakPolarHBondContact CA-O 3.25Å; F57-C75 HydrophobicContact CD2-CB 3.83Å; F57-C75 HydrophobicContact CE2-CB 4.35Å
58	I	56.3	Low	48.3	Very low	83 Å²	83	101 Å²	101	43%	0.426	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	114.5	176.2	-56.4	177.4	0	0	0	106.9	G73 I74 I76	I58-G73 CarbonylContact O-C 3.51Å; I58-G73 WeakPolarHBondContact O-CA 3.14Å; I58-I74 HydrophobicContact CB-CG2 3.98Å; I58-I74 PolarHBondContact N-O 3.1Å; I58-I74 PolarHBondContact O-N 3.02Å; I58-I76 HydrophobicContact CD1-CD1 3.69Å
59	L	51.2	Low	48	Very low	64 Å²	64	98.5 Å²	98.5	34%	0.335	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	138.6	171.5	-70.9	163.9	0	0	0	109.2	Q39 F57 D61 T72	Q39-L59 HydrophobicContact CB-CD1 4.42Å; Q39-L59 HydrophobicContact CG-CD1 4Å; F57-L59 HydrophobicContact CD1-CD2 4.13Å; F57-L59 HydrophobicContact CD1-CG 4.16Å; F57-L59 HydrophobicContact CE1-CD2 3.62Å; F57-L59 HydrophobicContact CE1-CG 4.13Å; L59-D61 PolarHBondContact O-N 2.88Å; L59-T72 WeakPolarHBondContact CA-O 3.41Å; L59-T72 WeakPolarHBondContact CD2-O 3.44Å
60	F	51.6	Low	47.7	Very low	70 Å²	70	98 Å²	98	31%	0.307	49%	0.486	S	S	.	.			trans	-79.7	104.1	166.6	-65.3	-70.7	0	0	0	107.2	I15 F17 D62 T72 I74	I15-F60 HydrophobicContact CD1-CE2 3.87Å; I15-F60 HydrophobicContact CD1-CZ 3.72Å; I15-F60 HydrophobicContact CG2-CZ 4.1Å; F17-F60 AromaticContact CE1-CE1 3.8Å; F17-F60 HydrophobicContact CE1-CE1 3.8Å; F17-F60 HydrophobicContact CE2-CE1 4.49Å; F17-F60 AromaticContact CZ-CE1 3.47Å; F17-F60 HydrophobicContact CZ-CE1 3.47Å; F17-F60 VanDerWaalsContact CZ-CE1 3.47Å; F17-F60 AromaticContact CZ-CZ 3.89Å; F17-F60 HydrophobicContact CZ-CZ 3.89Å; F60-D62 PolarHBondContact O-N 2.98Å; F60-T72 PolarHBondContact N-O 3.46Å; F60-I74 HydrophobicContact CZ-CB 4.47Å; F60-I74 HydrophobicContact CZ-CG2 4.22Å
61	D	47.5	Very low	47.4	Very low	147 Å²	147	93.4 Å²	93.4	79%	0.786	47%	0.466	S	S	*	.			trans	-57.9	106.4	171.7	-95.8	-20.8	0	0	0	109	L59 V63	L59-D61 PolarHBondContact O-N 2.88Å; D61-V63 VanDerWaalsContact O-CG2 3.24Å; D61-V63 WeakPolarHBondContact O-CG2 3.37Å; D61-V63 PolarHBondContact O-N 2.78Å
62	D	43.8	Very low	47.3	Very low	165 Å²	165	97.4 Å²	97.4	88%	0.882	49%	0.49	S	S	*	.	S	Bend	trans	34.3	36.4	163.5	-78.1	-18.9	0	0	0	116.7	F60 T64	F60-D62 PolarHBondContact O-N 2.98Å; D62-T64 PolarHBondContact O-N 2.82Å
63	V	41.8	Very low	47.4	Very low	97 Å²	97	96.2 Å²	96.2	59%	0.588	48%	0.483	S	S	*	.			trans	-76.8	86.2	171.1	-164.7	0	0	0	0	105.8	D61	D61-V63 VanDerWaalsContact O-CG2 3.24Å; D61-V63 WeakPolarHBondContact O-CG2 3.37Å; D61-V63 PolarHBondContact O-N 2.78Å
64	T	43.4	Very low	47.8	Very low	101 Å²	101	95.4 Å²	95.4	62%	0.62	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	28.3	118.3	160	-17.9	0	0	0	0	113.3	D62 Y66	D62-T64 PolarHBondContact O-N 2.82Å; T64-Y66 VanDerWaalsContact O-CD2 3.27Å; T64-Y66 WeakPolarHBondContact O-CD2 3.19Å; T64-Y66 PolarHBondContact O-N 2.86Å
65	P	41.7	Very low	47.8	Very low	127 Å²	127	95 Å²	95	83%	0.825	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	83.6	-168.8	24.6	-36.5	0	0	0	112.3	H67	P65-H67 PolarHBondContact O-N 3.38Å
66	Y	40.3	Very low	48.1	Very low	175 Å²	175	97.3 Å²	97.3	69%	0.686	49%	0.489	S	S	*	.			trans	-62	137.1	164.5	-88.1	-87.7	0	0	0	103.5	T64 F68	T64-Y66 VanDerWaalsContact O-CD2 3.27Å; T64-Y66 WeakPolarHBondContact O-CD2 3.19Å; T64-Y66 PolarHBondContact O-N 2.86Å; Y66-F68 PolarHBondContact O-N 2.75Å
67	H	39.7	Very low	48.4	Very low	178 Å²	178	92.5 Å²	92.5	82%	0.824	47%	0.474	S	S	*	.	S	Bend	trans	-59.9	25.1	-173.2	-98.6	-85.1	0	0	0	115.4	P65 P69	P65-H67 PolarHBondContact O-N 3.38Å; H67-P69 WeakPolarHBondContact O-CD 3.46Å
68	F	38.5	Very low	48.4	Very low	136 Å²	136	95.3 Å²	95.3	60%	0.596	49%	0.488	S	S	*	.			trans	-108.7	78	170.9	-61.3	-77.6	0	0	0	108.7	Y66 Y70 F71	Y66-F68 PolarHBondContact O-N 2.75Å; F68-Y70 PolarHBondContact O-N 3.19Å; F68-F71 HydrophobicContact CB-CD2 4.35Å; F68-F71 PolarHBondContact O-N 2.97Å
69	P	41.3	Very low	48.4	Very low	104 Å²	104	94.5 Å²	94.5	68%	0.675	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	11.2	176.6	27.9	-36.2	0	0	0	114.1	H67	H67-P69 WeakPolarHBondContact O-CD 3.46Å
70	Y	43.3	Very low	48.3	Very low	183 Å²	183	99.4 Å²	99.4	72%	0.718	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.6	-2	-172.6	-55.5	-66.7	0	0	0	113.4	F68	F68-Y70 PolarHBondContact O-N 3.19Å
71	F	46.2	Very low	48.4	Very low	78 Å²	78	102.8 Å²	102.8	34%	0.342	52%	0.521	S	S	.	.			trans	-128.5	99.6	-178.3	-68.7	-77.7	0	0	0	111.9	Y12 F68	Y12-F71 AromaticContact CD1-CE1 3.89Å; Y12-F71 HydrophobicContact CD1-CE1 3.89Å; Y12-F71 AromaticContact CD1-CE2 3.76Å; Y12-F71 HydrophobicContact CD1-CE2 3.76Å; Y12-F71 AromaticContact CD1-CZ 3.26Å; Y12-F71 HydrophobicContact CD1-CZ 3.26Å; Y12-F71 HydrophobicContact CD2-CE1 4.09Å; Y12-F71 HydrophobicContact CD2-CE2 4.36Å; Y12-F71 AromaticContact CD2-CZ 3.41Å; Y12-F71 HydrophobicContact CD2-CZ 3.41Å; Y12-F71 VanDerWaalsContact CD2-CZ 3.41Å; Y12-F71 HydrophobicContact CE1-CD2 4.33Å; Y12-F71 HydrophobicContact CE1-CE1 4.17Å; Y12-F71 AromaticContact CE1-CE2 3.18Å; Y12-F71 HydrophobicContact CE1-CE2 3.18Å; Y12-F71 AromaticContact CE1-CZ 3.13Å; Y12-F71 HydrophobicContact CE1-CZ 3.13Å; Y12-F71 HydrophobicContact CE2-CE1 4.4Å; Y12-F71 AromaticContact CE2-CE2 3.92Å; Y12-F71 HydrophobicContact CE2-CE2 3.92Å; Y12-F71 AromaticContact CE2-CZ 3.33Å; Y12-F71 HydrophobicContact CE2-CZ 3.33Å; Y12-F71 AromaticContact CG-CE1 3.87Å; Y12-F71 HydrophobicContact CG-CE1 3.87Å; Y12-F71 HydrophobicContact CG-CE2 4.33Å; Y12-F71 AromaticContact CG-CZ 3.41Å; Y12-F71 HydrophobicContact CG-CZ 3.41Å; Y12-F71 VanDerWaalsContact CG-CZ 3.41Å; Y12-F71 AromaticContact CZ-CE2 3.27Å; Y12-F71 AromaticContact CZ-CZ 3.17Å; Y12-F71 WeakPolarHBondContact OH-CE2 3.48Å; F68-F71 HydrophobicContact CB-CD2 4.35Å; F68-F71 PolarHBondContact O-N 2.97Å
72	T	50.5	Low	48.5	Very low	93 Å²	93	100.2 Å²	100.2	57%	0.571	51%	0.514	S	S	*	.	S	Bend	trans	-90.6	-12.1	170.3	52.5	0	0	0	0	112.7	L59 F60	L59-T72 WeakPolarHBondContact CA-O 3.41Å; L59-T72 WeakPolarHBondContact CD2-O 3.44Å; F60-T72 PolarHBondContact N-O 3.46Å
73	G	55	Low	48.6	Very low	7 Å²	7	102.4 Å²	102.4	7%	0.072	53%	0.534	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.5	-179.6	-179.9	0	0	0	0	0	113.6	F57 I58	F57-G73 VanDerWaalsContact CZ-C 3.48Å; I58-G73 CarbonylContact O-C 3.51Å; I58-G73 WeakPolarHBondContact O-CA 3.14Å
74	I	62	Low	48.9	Very low	8 Å²	8	102.7 Å²	102.7	4%	0.041	53%	0.531	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	136.4	176.6	-175.4	168.2	0	0	0	111.3	I15 I22 F57 I58 F60 I76	I15-I74 HydrophobicContact CB-CD1 3.87Å; I15-I74 HydrophobicContact CD1-CB 3.52Å; I15-I74 HydrophobicContact CD1-CD1 3.5Å; I15-I74 HydrophobicContact CD1-CG1 3.77Å; I15-I74 HydrophobicContact CD1-CG2 4.36Å; I15-I74 HydrophobicContact CG1-CD1 3.73Å; I15-I74 HydrophobicContact CG1-CG1 4.46Å; I22-I74 HydrophobicContact CG2-CD1 4.39Å; F57-I74 CarbonylContact C-O 3.57Å; F57-I74 WeakPolarHBondContact CA-O 3.25Å; I58-I74 HydrophobicContact CB-CG2 3.98Å; I58-I74 PolarHBondContact N-O 3.1Å; I58-I74 PolarHBondContact O-N 3.02Å; F60-I74 HydrophobicContact CZ-CB 4.47Å; F60-I74 HydrophobicContact CZ-CG2 4.22Å; I74-I76 HydrophobicContact CD1-CG1 4.47Å; I74-I76 HydrophobicContact CG1-CG1 4.33Å
75	C	54.4	Low	49.2	Very low	13 Å²	13	102.8 Å²	102.8	9%	0.088	53%	0.526	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	129.2	166.3	-164.3	0	0	0	0	111.2	S24 C32 R56 F57	S24-C75 PolarHBondContact OG-O 3.11Å; C32-C75 VanDerWaalsContact CA-SG 3.51Å; C32-C75 HydrophobicContact CB-CB 3.6Å; C32-C75 WeakPolarHBondContact CB-SG 3.33Å; C32-C75 WeakPolarHBondContact SG-CB 3.04Å; C32-C75 CovalentContact SG-SG 2.01Å; C32-C75 PolarHBondContact SG-SG 2.87Å; R56-C75 CarbonylContact O-C 3.55Å; R56-C75 WeakPolarHBondContact O-CA 3.35Å; F57-C75 HydrophobicContact CD2-CB 3.83Å; F57-C75 HydrophobicContact CE2-CB 4.35Å
76	I	59.6	Low	49.6	Very low	47 Å²	47	101.4 Å²	101.4	24%	0.241	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	131.6	176.7	-58.6	177.3	0	0	0	108.3	S55 R56 I58 I74	S55-I76 CarbonylContact C-O 3.47Å; S55-I76 VanDerWaalsContact CA-O 3.32Å; S55-I76 WeakPolarHBondContact CA-O 3.27Å; R56-I76 PolarHBondContact N-O 3.22Å; R56-I76 PolarHBondContact O-N 2.8Å; I58-I76 HydrophobicContact CD1-CD1 3.69Å; I74-I76 HydrophobicContact CD1-CG1 4.47Å; I74-I76 HydrophobicContact CG1-CG1 4.33Å
77	T	54.8	Low	50.2	Low	29 Å²	29	97.1 Å²	97.1	18%	0.178	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	130.2	178	-61	0	0	0	0	112.2	S27 N53 L54 S55	S27-T77 WeakPolarHBondContact CB-OG1 3.26Å; S27-T77 WeakPolarHBondContact OG-CB 3.4Å; S27-T77 PolarHBondContact OG-OG1 3.41Å; N53-T77 HydrophobicContact CB-CG2 3.97Å; L54-T77 CarbonylContact O-C 3.53Å; L54-T77 VanDerWaalsContact O-CA 3.27Å; L54-T77 WeakPolarHBondContact O-CA 3.02Å; S55-T77 WeakPolarHBondContact CB-OG1 3.02Å; S55-T77 PolarHBondContact OG-OG1 2.63Å
78	Q	53.9	Low	50.8	Low	97 Å²	97	92.1 Å²	92.1	45%	0.453	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	123.6	-179.5	-63.9	-178.8	-12.9	0	0	109.1	N53 L54	N53-Q78 CarbonylContact C-O 3.58Å; N53-Q78 WeakPolarHBondContact CA-O 3.1Å; L54-Q78 PolarHBondContact N-O 3.07Å; L54-Q78 PolarHBondContact O-N 3.28Å
79	S	54.8	Low	51.7	Low	66 Å²	66	89.1 Å²	89.1	46%	0.462	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	126.7	175.5	-54.8	0	0	0	0	109.7	S52 N53	S52-S79 CarbonylContact O-C 3.46Å; S52-S79 WeakPolarHBondContact O-CA 3.43Å; N53-S79 WeakPolarHBondContact OD1-CA 3.48Å; N53-S79 WeakPolarHBondContact OD1-CB 3.27Å; N53-S79 PolarHBondContact OD1-OG 2.98Å
80	W	49.5	Very low	52.4	Low	167 Å²	167	88.1 Å²	88.1	63%	0.633	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	134.4	170.1	-64.2	-11.2	0	0	0	109.6	S51 S52	S51-W80 VanDerWaalsContact CA-O 3.31Å; S51-W80 WeakPolarHBondContact CA-O 3.24Å; S52-W80 PolarHBondContact N-O 2.78Å; S52-W80 PolarHBondContact O-N 2.56Å
81	H	54.4	Low	53.1	Low	141 Å²	141	80.8 Å²	80.8	65%	0.653	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.6	121.8	169.6	-64.4	-69.6	0	0	0	107.8	T83	H81-T83 PolarHBondContact O-N 2.7Å
82	S	49.1	Very low	53.7	Low	93 Å²	93	81 Å²	81	65%	0.65	45%	0.445	S	S	*	.			trans	-77.2	113.7	167.6	54.9	0	0	0	0	108.4
83	T	46	Very low	54	Low	211 Å²	211	79.9 Å²	79.9	100%	1.294	43%	0.433	S	S	*	.			trans	-59.7	0	160.6	37.3	0	0	0	0	111	H81	H81-T83 PolarHBondContact O-N 2.7Å

Retrieved 83 of 83 residues in 136.2 ms (Link to these results)

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