G4V6U5_SCHMA Loading...

UTRA domain-containing protein

AlphaFold DB , UniProt , Accession G4V6U5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 88 aa.

						>G4V6U5_SCHMA|G4V6U5
MLLFNKEQFYDQEPIKVGQQFITRKHCNNILSSHGAPEKAVSMSIPWIKGNTFKSLDEHLIFKLLSRDQVVYKVGQYYELTEGRQHKD
					

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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	27.4	Very low	33.2	Very low	219 Å²	219	129.3 Å²	129.3	100%	1.079	61%	0.612	S	S	*	*				0	108.3	0	-175.7	169.6	168.6	0	0	107.2
2	L	24.5	Very low	34.4	Very low	103 Å²	103	130.9 Å²	130.9	54%	0.539	62%	0.619	S	S	.	*			trans	-88.5	111.1	178.2	-81	159	0	0	0	108.1	F4 L31	L2-F4 HydrophobicContact CB-CE2 4.1Å; L2-F4 PolarHBondContact O-N 3.42Å; L2-L31 VanDerWaalsContact CD2-O 3.24Å; L2-L31 WeakPolarHBondContact CD2-O 3.31Å
3	L	24.5	Very low	35.2	Very low	133 Å²	133	128.6 Å²	128.6	70%	0.696	61%	0.608	S	S	*	*			trans	-82.8	104.8	174.2	-78.3	151.7	0	0	0	107.8	N5	L3-N5 PolarHBondContact O-N 2.8Å
4	F	29.5	Very low	36.5	Very low	96 Å²	96	125 Å²	125	42%	0.421	60%	0.601	S	S	.	*			trans	-78.4	111.2	172.9	-69.3	-89.2	0	0	0	108.4	L2 N28 I30 L65	L2-F4 HydrophobicContact CB-CE2 4.1Å; L2-F4 PolarHBondContact O-N 3.42Å; F4-N28 HydrophobicContact CD1-CB 4.47Å; F4-I30 HydrophobicContact CD1-CG2 3.49Å; F4-I30 VanDerWaalsContact CD1-CG2 3.49Å; F4-I30 HydrophobicContact CE1-CG2 3.39Å; F4-I30 HydrophobicContact CZ-CG2 4.4Å; F4-L65 HydrophobicContact CE1-CD1 4.45Å
5	N	29.4	Very low	37.8	Very low	125 Å²	125	119 Å²	119	67%	0.668	57%	0.572	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-81.2	126.5	175.5	-138.5	1.2	0	0	0	108.7	L3 E7	L3-N5 PolarHBondContact O-N 2.8Å; N5-E7 VanDerWaalsContact C-N 3.28Å; N5-E7 PolarHBondContact O-N 3.24Å; N5-E7 VanDerWaalsContact O-N 3.1Å
6	K	30.3	Very low	38.7	Very low	185 Å²	185	119.8 Å²	119.8	80%	0.804	57%	0.573	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88.9	35.6	-155.2	-133.3	-175.8	-169.2	-176.5	0	113.8	Q8	K6-Q8 PolarHBondContact O-N 3.2Å
7	E	33.4	Very low	39.5	Very low	121 Å²	121	113.4 Å²	113.4	57%	0.565	54%	0.542	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	89.5	168.6	-74.2	-173.1	123	0	0	108.4	N5 F9	N5-E7 VanDerWaalsContact C-N 3.28Å; N5-E7 PolarHBondContact O-N 3.24Å; N5-E7 VanDerWaalsContact O-N 3.1Å; E7-F9 HydrophobicContact CB-CD2 4.12Å; E7-F9 HydrophobicContact CB-CE2 3.62Å; E7-F9 HydrophobicContact CB-CZ 4.39Å; E7-F9 WeakPolarHBondContact O-CD2 3.36Å; E7-F9 PolarHBondContact O-N 2.97Å
8	Q	37.9	Very low	40.3	Very low	107 Å²	107	109.1 Å²	109.1	50%	0.5	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	94.4	171.9	-74.1	179.7	-37.5	0	0	108.6	K6 Y10 H26	K6-Q8 PolarHBondContact O-N 3.2Å; Q8-Y10 PolarHBondContact O-N 3.46Å; Q8-H26 PolarHBondContact NE2-CE1 3.14Å
9	F	39.1	Very low	40.8	Very low	105 Å²	105	113.4 Å²	113.4	46%	0.461	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.4	117	167.3	-71.7	-87.9	0	0	0	108.7	E7 D11	E7-F9 HydrophobicContact CB-CD2 4.12Å; E7-F9 HydrophobicContact CB-CE2 3.62Å; E7-F9 HydrophobicContact CB-CZ 4.39Å; E7-F9 WeakPolarHBondContact O-CD2 3.36Å; E7-F9 PolarHBondContact O-N 2.97Å; F9-D11 PolarHBondContact O-N 3.08Å
10	Y	42.8	Very low	41	Very low	155 Å²	155	112.7 Å²	112.7	61%	0.608	55%	0.547	S	S	*	.			trans	-85.2	63.9	167.9	-73.8	-82.7	0	0	0	109.5	Q8 Q12 H26	Q8-Y10 PolarHBondContact O-N 3.46Å; Y10-Q12 PolarHBondContact O-N 3.37Å; Y10-H26 AromaticContact CE1-CE1 3.73Å; Y10-H26 AromaticContact CE1-NE2 3.87Å; Y10-H26 AromaticContact CZ-CE1 3.71Å
11	D	46.2	Very low	41.5	Very low	73 Å²	73	114 Å²	114	39%	0.39	55%	0.551	S	S	.	*			trans	-77.7	102	161.2	-88.4	-34.7	0	0	0	107.1	F9 E13 R24	F9-D11 PolarHBondContact O-N 3.08Å; D11-E13 PolarHBondContact O-N 2.83Å; D11-R24 WeakPolarHBondContact O-CB 3.32Å
12	Q	48.1	Very low	42.8	Very low	149 Å²	149	104.4 Å²	104.4	70%	0.696	50%	0.504	S	S	*	.			trans	-75.3	12.8	166.4	-65.6	-165.7	6.1	0	0	111.8	Y10 P14 T23	Y10-Q12 PolarHBondContact O-N 3.37Å; Q12-P14 WeakPolarHBondContact O-CD 3.36Å; Q12-T23 VanDerWaalsContact O-CG2 3.32Å; Q12-T23 WeakPolarHBondContact O-CG2 3.43Å
13	E	45	Very low	44	Very low	101 Å²	101	103.5 Å²	103.5	47%	0.472	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-65.7	125.3	179.7	-73.7	-160.4	138	0	0	110.8	D11 I15	D11-E13 PolarHBondContact O-N 2.83Å; E13-I15 PolarHBondContact O-N 3.05Å
14	P	52.9	Low	45.3	Very low	78 Å²	78	99.4 Å²	99.4	51%	0.506	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	120.5	175.9	26.6	-30.3	0	0	0	109.8	Q12 F21 I22	Q12-P14 WeakPolarHBondContact O-CD 3.36Å; P14-F21 HydrophobicContact CB-CB 4.28Å; P14-F21 HydrophobicContact CB-CD1 4.36Å; P14-I22 CarbonylContact C-O 3.53Å; P14-I22 WeakPolarHBondContact CA-O 3.49Å
15	I	56	Low	46.3	Very low	35 Å²	35	101 Å²	101	18%	0.179	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	130.1	170.3	-13.3	169.7	0	0	0	108.5	E13 I22 R24 M43	E13-I15 PolarHBondContact O-N 3.05Å; I15-I22 PolarHBondContact N-O 3.1Å; I15-I22 PolarHBondContact O-N 3.25Å; I15-R24 HydrophobicContact CD1-CG 3.51Å; I15-R24 HydrophobicContact CG1-CG 3.53Å; I15-R24 VanDerWaalsContact CG1-NE 3.28Å; I15-M43 HydrophobicContact CD1-CE 4.29Å
16	K	52.5	Low	47.1	Very low	132 Å²	132	97.5 Å²	97.5	57%	0.574	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	124	168.5	-168.2	176.7	178.3	-178	0	109.6	G18 Q20 F21	K16-G18 WeakPolarHBondContact CE-O 3.32Å; K16-Q20 CarbonylContact C-O 3.41Å; K16-Q20 WeakPolarHBondContact CA-O 3.11Å; K16-F21 HydrophobicContact CB-CD1 4.04Å; K16-F21 HydrophobicContact CB-CE1 3.89Å; K16-F21 HydrophobicContact CD-CE1 4.15Å; K16-F21 HydrophobicContact CD-CZ 4.01Å; K16-F21 HydrophobicContact CG-CD1 4.39Å; K16-F21 HydrophobicContact CG-CE1 4.11Å; K16-F21 HydrophobicContact CG-CZ 4.28Å
17	V	52.3	Low	48	Very low	10 Å²	10	89.1 Å²	89.1	6%	0.061	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	99.9	175.6	176.4	0	0	0	0	107.2	Q19 Q20 I22 L56 F62	V17-Q19 PolarHBondContact O-N 3.42Å; V17-Q20 PolarHBondContact N-O 3.19Å; V17-Q20 PolarHBondContact O-N 3.25Å; V17-Q20 VanDerWaalsContact O-N 3.12Å; V17-I22 HydrophobicContact CB-CD1 3.55Å; V17-I22 HydrophobicContact CB-CG1 4.3Å; V17-I22 HydrophobicContact CG1-CD1 4.1Å; V17-I22 HydrophobicContact CG2-CD1 3.59Å; V17-I22 HydrophobicContact CG2-CG1 4.34Å; V17-L56 HydrophobicContact CG1-CB 4.24Å; V17-L56 HydrophobicContact CG1-CD1 3.52Å; V17-L56 HydrophobicContact CG1-CD2 3.91Å; V17-L56 HydrophobicContact CG1-CG 4.08Å; V17-F62 HydrophobicContact CG2-CZ 4.34Å
18	G	53.9	Low	48.7	Very low	36 Å²	36	85.1 Å²	85.1	37%	0.371	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	-118.4	-172.4	0	0	0	0	0	111.1	K16 L56	K16-G18 WeakPolarHBondContact CE-O 3.32Å; G18-L56 VanDerWaalsContact N-CD2 3.34Å
19	Q	49.2	Very low	49.2	Very low	192 Å²	192	83 Å²	83	90%	0.897	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	0.5	177.7	-66.1	-169.8	-11.8	0	0	114.1	V17	V17-Q19 PolarHBondContact O-N 3.42Å
20	Q	45	Very low	49.6	Very low	98 Å²	98	78.5 Å²	78.5	46%	0.458	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	147.5	-178.3	-65.6	-172.3	7.7	0	0	111.9	K16 V17	K16-Q20 CarbonylContact C-O 3.41Å; K16-Q20 WeakPolarHBondContact CA-O 3.11Å; V17-Q20 PolarHBondContact N-O 3.19Å; V17-Q20 PolarHBondContact O-N 3.25Å; V17-Q20 VanDerWaalsContact O-N 3.12Å
21	F	51.2	Low	49.5	Very low	142 Å²	142	75.4 Å²	75.4	62%	0.623	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.4	133.7	169.5	-69.6	-88.9	0	0	0	109.2	P14 K16	P14-F21 HydrophobicContact CB-CB 4.28Å; P14-F21 HydrophobicContact CB-CD1 4.36Å; K16-F21 HydrophobicContact CB-CD1 4.04Å; K16-F21 HydrophobicContact CB-CE1 3.89Å; K16-F21 HydrophobicContact CD-CE1 4.15Å; K16-F21 HydrophobicContact CD-CZ 4.01Å; K16-F21 HydrophobicContact CG-CD1 4.39Å; K16-F21 HydrophobicContact CG-CE1 4.11Å; K16-F21 HydrophobicContact CG-CZ 4.28Å
22	I	54.5	Low	49.7	Very low	17 Å²	17	72.5 Å²	72.5	9%	0.087	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	120	-177	-39.8	170.2	0	0	0	109.2	P14 I15 V17 R24 M43 I45	P14-I22 CarbonylContact C-O 3.53Å; P14-I22 WeakPolarHBondContact CA-O 3.49Å; I15-I22 PolarHBondContact N-O 3.1Å; I15-I22 PolarHBondContact O-N 3.25Å; V17-I22 HydrophobicContact CB-CD1 3.55Å; V17-I22 HydrophobicContact CB-CG1 4.3Å; V17-I22 HydrophobicContact CG1-CD1 4.1Å; V17-I22 HydrophobicContact CG2-CD1 3.59Å; V17-I22 HydrophobicContact CG2-CG1 4.34Å; I22-R24 PolarHBondContact O-N 3.17Å; I22-M43 HydrophobicContact CB-CE 3.6Å; I22-M43 HydrophobicContact CD1-CE 3.56Å; I22-M43 HydrophobicContact CG1-CE 4.18Å; I22-M43 HydrophobicContact CG2-CE 3.37Å; I22-I45 HydrophobicContact CD1-CD1 3.76Å; I22-I45 HydrophobicContact CG2-CD1 3.88Å; I22-I45 HydrophobicContact CG2-CG1 3.81Å
23	T	49.7	Very low	49.7	Very low	84 Å²	84	71 Å²	71	52%	0.515	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	122.7	179.3	-25.9	0	0	0	0	109.6	Q12 K25	Q12-T23 VanDerWaalsContact O-CG2 3.32Å; Q12-T23 WeakPolarHBondContact O-CG2 3.43Å; T23-K25 PolarHBondContact O-N 3.34Å
24	R	53.3	Low	50.1	Low	47 Å²	47	74.3 Å²	74.3	18%	0.177	38%	0.384	C	S	.	.			trans	-63.6	124.7	170.7	-77.6	176.6	179.4	166.9	21.3	108.6	D11 I15 I22 V41 Y72	D11-R24 WeakPolarHBondContact O-CB 3.32Å; I15-R24 HydrophobicContact CD1-CG 3.51Å; I15-R24 HydrophobicContact CG1-CG 3.53Å; I15-R24 VanDerWaalsContact CG1-NE 3.28Å; I22-R24 PolarHBondContact O-N 3.17Å; R24-V41 HydrophobicContact CB-CG1 4.37Å; R24-V41 HydrophobicContact CG-CG1 3.86Å; R24-Y72 VanDerWaalsContact CZ-OH 3.27Å; R24-Y72 PolarHBondContact NH2-OH 3.44Å
25	K	49.6	Very low	50	Low	130 Å²	130	72.9 Å²	72.9	57%	0.565	38%	0.383	S	S	*	.			trans	-93.2	-39.1	174.9	-108.6	-174.5	178	179.2	0	111.9	T23 S42	T23-K25 PolarHBondContact O-N 3.34Å; K25-S42 PolarHBondContact N-O 3.42Å
26	H	47.2	Very low	49.8	Very low	50 Å²	50	73.5 Å²	73.5	23%	0.231	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	126.7	176.4	-90.4	-78.6	0	0	0	110.4	Q8 Y10 V41 S42	Q8-H26 PolarHBondContact NE2-CE1 3.14Å; Y10-H26 AromaticContact CE1-CE1 3.73Å; Y10-H26 AromaticContact CE1-NE2 3.87Å; Y10-H26 AromaticContact CZ-CE1 3.71Å; H26-V41 CarbonylContact O-C 3.59Å; H26-V41 VanDerWaalsContact O-CA 3.31Å; H26-V41 WeakPolarHBondContact O-CA 3.24Å; H26-S42 PolarHBondContact O-N 2.81Å
27	C	48.4	Very low	49.7	Very low	10 Å²	10	72.8 Å²	72.8	7%	0.068	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	124.5	165.4	-72.1	0	0	0	0	109.2	A40 V41	C27-A40 CarbonylContact C-O 3.6Å; C27-A40 WeakPolarHBondContact CA-O 3.38Å; C27-V41 HydrophobicContact CB-CG2 4.33Å; C27-V41 WeakPolarHBondContact SG-CG2 3.45Å
28	N	49	Very low	49.7	Very low	36 Å²	36	74.2 Å²	74.2	19%	0.193	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	132.5	169.5	-72.5	-20.5	0	0	0	108.8	F4 I30 A40	F4-N28 HydrophobicContact CD1-CB 4.47Å; N28-I30 PolarHBondContact O-N 3.4Å; N28-A40 HydrophobicContact CB-CB 4.39Å; N28-A40 PolarHBondContact N-O 2.82Å; N28-A40 WeakPolarHBondContact O-CA 3.49Å; N28-A40 WeakPolarHBondContact O-CB 3.48Å; N28-A40 PolarHBondContact O-N 2.81Å; N28-A40 VanDerWaalsContact O-O 3.14Å
29	N	47.2	Very low	49.5	Very low	62 Å²	62	76.9 Å²	76.9	33%	0.332	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	127.6	166.1	-71.8	-31.6	0	0	0	108.7
30	I	48.7	Very low	49.6	Very low	12 Å²	12	68 Å²	68	6%	0.062	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	164.4	175.2	53.4	157	0	0	0	109.8	F4 N28 E38 A40 V71	F4-I30 HydrophobicContact CD1-CG2 3.49Å; F4-I30 VanDerWaalsContact CD1-CG2 3.49Å; F4-I30 HydrophobicContact CE1-CG2 3.39Å; F4-I30 HydrophobicContact CZ-CG2 4.4Å; N28-I30 PolarHBondContact O-N 3.4Å; I30-E38 HydrophobicContact CD1-CB 3.98Å; I30-E38 HydrophobicContact CG1-CB 3.79Å; I30-E38 VanDerWaalsContact CG1-O 3.3Å; I30-E38 WeakPolarHBondContact CG1-O 3.39Å; I30-E38 PolarHBondContact N-O 2.99Å; I30-E38 PolarHBondContact O-N 3.43Å; I30-A40 HydrophobicContact CB-CB 4.39Å; I30-A40 HydrophobicContact CD1-CB 3.82Å; I30-A40 HydrophobicContact CG1-CB 3.77Å; I30-A40 HydrophobicContact CG2-CB 3.74Å; I30-V71 HydrophobicContact CD1-CB 4.15Å; I30-V71 HydrophobicContact CD1-CG1 3.64Å; I30-V71 HydrophobicContact CD1-CG2 3.35Å
31	L	40.3	Very low	49.7	Very low	89 Å²	89	63.4 Å²	63.4	47%	0.466	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	129.3	172.3	-72.5	159.2	0	0	0	108.6	L2 G35	L2-L31 VanDerWaalsContact CD2-O 3.24Å; L2-L31 WeakPolarHBondContact CD2-O 3.31Å; L31-G35 WeakPolarHBondContact CD2-O 3.37Å
32	S	49.5	Very low	49.5	Very low	12 Å²	12	58.1 Å²	58.1	8%	0.084	33%	0.329	C	S	.	.			trans	-57.4	166.1	170.5	69.3	0	0	0	0	111.2	H34 G35 A36 E38	S32-H34 PolarHBondContact O-N 2.83Å; S32-H34 PolarHBondContact OG-N 2.77Å; S32-G35 PolarHBondContact O-N 2.91Å; S32-G35 PolarHBondContact OG-N 2.79Å; S32-A36 WeakPolarHBondContact CB-O 3.41Å; S32-A36 PolarHBondContact N-O 3.36Å; S32-A36 WeakPolarHBondContact OG-CB 3.48Å; S32-A36 PolarHBondContact OG-N 2.79Å; S32-A36 PolarHBondContact OG-O 2.73Å; S32-E38 WeakPolarHBondContact CB-OE1 3.45Å
33	S	48.4	Very low	49.4	Very low	117 Å²	117	57.5 Å²	57.5	82%	0.818	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-16.9	171.6	47.4	0	0	0	0	114
34	H	54.3	Low	49.1	Very low	171 Å²	171	57.1 Å²	57.1	79%	0.792	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	8.3	176.2	-58.7	-70.5	0	0	0	113.1	S32 A36	S32-H34 PolarHBondContact O-N 2.83Å; S32-H34 PolarHBondContact OG-N 2.77Å; H34-A36 PolarHBondContact O-N 3.3Å
35	G	49.9	Very low	48.9	Very low	48 Å²	48	55.9 Å²	55.9	50%	0.495	32%	0.323	S	S	.	.	S	Bend	trans	76.7	1.2	-179.6	0	0	0	0	0	115	L31 S32	L31-G35 WeakPolarHBondContact CD2-O 3.37Å; S32-G35 PolarHBondContact O-N 2.91Å; S32-G35 PolarHBondContact OG-N 2.79Å
36	A	51.2	Low	48.6	Very low	48 Å²	48	55.5 Å²	55.5	40%	0.397	33%	0.334	S	S	.	.			trans	-71.8	137.2	171	0	0	0	0	0	110.6	S32 H34 E38	S32-A36 WeakPolarHBondContact CB-O 3.41Å; S32-A36 PolarHBondContact N-O 3.36Å; S32-A36 WeakPolarHBondContact OG-CB 3.48Å; S32-A36 PolarHBondContact OG-N 2.79Å; S32-A36 PolarHBondContact OG-O 2.73Å; H34-A36 PolarHBondContact O-N 3.3Å; A36-E38 PolarHBondContact O-N 3.32Å
37	P	50.3	Low	48.5	Very low	117 Å²	117	58.4 Å²	58.4	76%	0.76	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.4	129.3	176.6	24.6	-31.1	0	0	0	110.8
38	E	53	Low	48.4	Very low	40 Å²	40	59.1 Å²	59.1	19%	0.187	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	152.1	176.1	-76.6	-179.6	173.7	0	0	109	I30 S32 A36 K73	I30-E38 HydrophobicContact CD1-CB 3.98Å; I30-E38 HydrophobicContact CG1-CB 3.79Å; I30-E38 VanDerWaalsContact CG1-O 3.3Å; I30-E38 WeakPolarHBondContact CG1-O 3.39Å; I30-E38 PolarHBondContact N-O 2.99Å; I30-E38 PolarHBondContact O-N 3.43Å; S32-E38 WeakPolarHBondContact CB-OE1 3.45Å; A36-E38 PolarHBondContact O-N 3.32Å; E38-K73 WeakPolarHBondContact OE1-CE 3.3Å
39	K	50.5	Low	47.9	Very low	93 Å²	93	66.9 Å²	66.9	40%	0.404	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	118.2	173.1	-74.7	-169.8	175.7	-176.6	0	109.2	Y72	K39-Y72 PolarHBondContact O-N 2.79Å
40	A	49.7	Very low	47.3	Very low	6 Å²	6	66.4 Å²	66.4	5%	0.05	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	135.4	170.1	0	0	0	0	0	109.6	C27 N28 I30 L65 V71	C27-A40 CarbonylContact C-O 3.6Å; C27-A40 WeakPolarHBondContact CA-O 3.38Å; N28-A40 HydrophobicContact CB-CB 4.39Å; N28-A40 PolarHBondContact N-O 2.82Å; N28-A40 WeakPolarHBondContact O-CA 3.49Å; N28-A40 WeakPolarHBondContact O-CB 3.48Å; N28-A40 PolarHBondContact O-N 2.81Å; N28-A40 VanDerWaalsContact O-O 3.14Å; I30-A40 HydrophobicContact CB-CB 4.39Å; I30-A40 HydrophobicContact CD1-CB 3.82Å; I30-A40 HydrophobicContact CG1-CB 3.77Å; I30-A40 HydrophobicContact CG2-CB 3.74Å; A40-L65 HydrophobicContact CB-CD1 4.25Å; A40-V71 HydrophobicContact CB-CG2 3.67Å
41	V	48.9	Very low	46.7	Very low	1 Å²	1	72.9 Å²	72.9	1%	0.006	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	124.3	178.3	-176.3	0	0	0	0	110.5	R24 H26 C27 M43 V70 Y72	R24-V41 HydrophobicContact CB-CG1 4.37Å; R24-V41 HydrophobicContact CG-CG1 3.86Å; H26-V41 CarbonylContact O-C 3.59Å; H26-V41 VanDerWaalsContact O-CA 3.31Å; H26-V41 WeakPolarHBondContact O-CA 3.24Å; C27-V41 HydrophobicContact CB-CG2 4.33Å; C27-V41 WeakPolarHBondContact SG-CG2 3.45Å; V41-M43 HydrophobicContact CB-CG 4.34Å; V41-M43 HydrophobicContact CG1-CG 3.72Å; V41-M43 HydrophobicContact CG1-SD 4.45Å; V41-V70 CarbonylContact C-O 3.34Å; V41-V70 WeakPolarHBondContact CA-O 3.21Å; V41-V70 PolarHBondContact N-O 2.86Å; V41-V70 CarbonylContact O-C 3.57Å; V41-V70 PolarHBondContact O-N 3.46Å; V41-Y72 HydrophobicContact CB-CD1 4.44Å; V41-Y72 HydrophobicContact CB-CE1 3.95Å; V41-Y72 HydrophobicContact CG2-CD1 4.11Å; V41-Y72 HydrophobicContact CG2-CE1 3.3Å
42	S	46.1	Very low	46.5	Very low	31 Å²	31	73.9 Å²	73.9	22%	0.217	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	120.8	169.3	-168.2	0	0	0	0	108.8	K25 H26 D68	K25-S42 PolarHBondContact N-O 3.42Å; H26-S42 PolarHBondContact O-N 2.81Å; S42-D68 WeakPolarHBondContact CA-O 3.15Å; S42-D68 PolarHBondContact OG-O 3.31Å
43	M	51.7	Low	46.2	Very low	4 Å²	4	76.4 Å²	76.4	2%	0.02	44%	0.442	C	S	.	.			trans	-125.1	124.3	-176.9	-53.8	176.9	73.6	0	0	108	I15 I22 V41 I45 D68	I15-M43 HydrophobicContact CD1-CE 4.29Å; I22-M43 HydrophobicContact CB-CE 3.6Å; I22-M43 HydrophobicContact CD1-CE 3.56Å; I22-M43 HydrophobicContact CG1-CE 4.18Å; I22-M43 HydrophobicContact CG2-CE 3.37Å; V41-M43 HydrophobicContact CB-CG 4.34Å; V41-M43 HydrophobicContact CG1-CG 3.72Å; V41-M43 HydrophobicContact CG1-SD 4.45Å; M43-I45 HydrophobicContact CB-CD1 3.83Å; M43-I45 HydrophobicContact CB-CG1 3.84Å; M43-I45 HydrophobicContact CE-CD1 3.67Å; M43-I45 PolarHBondContact O-N 3.12Å; M43-I45 HydrophobicContact SD-CD1 4.19Å; M43-D68 PolarHBondContact N-O 2.79Å
44	S	44.4	Very low	45.5	Very low	76 Å²	76	79.4 Å²	79.4	53%	0.531	44%	0.44	S	S	.	.			trans	-85.8	84.6	174.8	162.6	0	0	0	0	108.5
45	I	48.6	Very low	44.6	Very low	20 Å²	20	75.3 Å²	75.3	10%	0.103	43%	0.431	C	S	.	.			trans	-115.8	113.9	-176.3	-61	177.7	0	0	0	110.5	I22 M43 W47 I48	I22-I45 HydrophobicContact CD1-CD1 3.76Å; I22-I45 HydrophobicContact CG2-CD1 3.88Å; I22-I45 HydrophobicContact CG2-CG1 3.81Å; M43-I45 HydrophobicContact CB-CD1 3.83Å; M43-I45 HydrophobicContact CB-CG1 3.84Å; M43-I45 HydrophobicContact CE-CD1 3.67Å; M43-I45 PolarHBondContact O-N 3.12Å; M43-I45 HydrophobicContact SD-CD1 4.19Å; I45-W47 HydrophobicContact CG2-CD2 3.96Å; I45-W47 HydrophobicContact CG2-CG 3.58Å; I45-W47 HydrophobicContact CG2-CZ2 4.42Å; I45-W47 PolarHBondContact O-N 3.26Å; I45-W47 VanDerWaalsContact O-N 3.08Å; I45-I48 HydrophobicContact CB-CD1 3.95Å; I45-I48 HydrophobicContact CB-CG1 3.97Å; I45-I48 HydrophobicContact CD1-CD1 4.27Å; I45-I48 HydrophobicContact CG2-CG1 4.1Å; I45-I48 PolarHBondContact O-N 2.68Å
46	P	43.5	Very low	44	Very low	123 Å²	123	75.1 Å²	75.1	80%	0.799	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-19.5	-179.2	-24	32.5	0	0	0	115.7
47	W	44.2	Very low	43.3	Very low	111 Å²	111	78.8 Å²	78.8	42%	0.42	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	5.5	-174.6	54	-74.7	0	0	0	115	I45 K49 F53	I45-W47 HydrophobicContact CG2-CD2 3.96Å; I45-W47 HydrophobicContact CG2-CG 3.58Å; I45-W47 HydrophobicContact CG2-CZ2 4.42Å; I45-W47 PolarHBondContact O-N 3.26Å; I45-W47 VanDerWaalsContact O-N 3.08Å; W47-K49 PolarHBondContact O-N 2.75Å; W47-F53 HydrophobicContact CD2-CE2 4.49Å; W47-F53 AromaticContact CD2-CZ 3.73Å; W47-F53 HydrophobicContact CD2-CZ 3.73Å; W47-F53 AromaticContact CE2-CZ 3.98Å; W47-F53 AromaticContact CE3-CE1 3.96Å; W47-F53 HydrophobicContact CE3-CE1 3.96Å; W47-F53 AromaticContact CE3-CE2 3.98Å; W47-F53 HydrophobicContact CE3-CE2 3.98Å; W47-F53 AromaticContact CE3-CZ 3.26Å; W47-F53 HydrophobicContact CE3-CZ 3.26Å; W47-F53 AromaticContact CH2-CE1 3.26Å; W47-F53 HydrophobicContact CH2-CE1 3.26Å; W47-F53 AromaticContact CH2-CZ 3.37Å; W47-F53 HydrophobicContact CH2-CZ 3.37Å; W47-F53 AromaticContact CZ2-CE1 3.98Å; W47-F53 HydrophobicContact CZ2-CE1 3.98Å; W47-F53 AromaticContact CZ2-CZ 3.81Å; W47-F53 HydrophobicContact CZ2-CZ 3.81Å; W47-F53 HydrophobicContact CZ3-CD1 4.39Å; W47-F53 AromaticContact CZ3-CE1 3.26Å; W47-F53 HydrophobicContact CZ3-CE1 3.26Å; W47-F53 HydrophobicContact CZ3-CE2 4.11Å; W47-F53 AromaticContact CZ3-CZ 3.09Å; W47-F53 HydrophobicContact CZ3-CZ 3.09Å
48	I	47.6	Very low	42.6	Very low	25 Å²	25	81.8 Å²	81.8	13%	0.128	44%	0.435	C	S	.	.			trans	-77.7	63.7	166	-51.3	176.4	0	0	0	108.6	I45 F53 L64 V70	I45-I48 HydrophobicContact CB-CD1 3.95Å; I45-I48 HydrophobicContact CB-CG1 3.97Å; I45-I48 HydrophobicContact CD1-CD1 4.27Å; I45-I48 HydrophobicContact CG2-CG1 4.1Å; I45-I48 PolarHBondContact O-N 2.68Å; I48-F53 HydrophobicContact CG1-CE2 3.85Å; I48-F53 HydrophobicContact CG1-CZ 4.42Å; I48-L64 HydrophobicContact CD1-CD1 4.22Å; I48-L64 HydrophobicContact CG2-CD1 3.62Å; I48-L64 HydrophobicContact CG2-CD2 3.98Å; I48-L64 HydrophobicContact CG2-CG 4.43Å; I48-V70 HydrophobicContact CD1-CG2 3.82Å
49	K	37.7	Very low	41.9	Very low	198 Å²	198	85.3 Å²	85.3	86%	0.861	45%	0.451	S	S	*	.			trans	-110.9	100.4	168	-109.9	-174.8	177.4	-179.6	0	106.7	W47	W47-K49 PolarHBondContact O-N 2.75Å
50	G	34	Very low	41.6	Very low	52 Å²	52	82.5 Å²	82.5	54%	0.536	44%	0.44	S	S	.	.	S	Bend	trans	103.8	126.5	-176.4	0	0	0	0	0	110.7	T52	G50-T52 PolarHBondContact O-N 3.29Å
51	N	37.9	Very low	41.4	Very low	149 Å²	149	87.9 Å²	87.9	80%	0.797	47%	0.467	S	S	*	.	S	Bend	trans	-64	39.8	-174.6	-78.6	-29.1	0	0	0	115.1
52	T	34.4	Very low	41.4	Very low	110 Å²	110	89.9 Å²	89.9	68%	0.675	48%	0.476	S	S	*	.			trans	-134.9	76.7	-170.2	-33.5	0	0	0	0	110.9	G50	G50-T52 PolarHBondContact O-N 3.29Å
53	F	43.4	Very low	41.5	Very low	65 Å²	65	95.5 Å²	95.5	29%	0.285	50%	0.496	S	S	.	.			trans	-92.2	94	158.4	-97.4	-102.8	0	0	0	108.1	W47 I48 S55 L56	W47-F53 HydrophobicContact CD2-CE2 4.49Å; W47-F53 AromaticContact CD2-CZ 3.73Å; W47-F53 HydrophobicContact CD2-CZ 3.73Å; W47-F53 AromaticContact CE2-CZ 3.98Å; W47-F53 AromaticContact CE3-CE1 3.96Å; W47-F53 HydrophobicContact CE3-CE1 3.96Å; W47-F53 AromaticContact CE3-CE2 3.98Å; W47-F53 HydrophobicContact CE3-CE2 3.98Å; W47-F53 AromaticContact CE3-CZ 3.26Å; W47-F53 HydrophobicContact CE3-CZ 3.26Å; W47-F53 AromaticContact CH2-CE1 3.26Å; W47-F53 HydrophobicContact CH2-CE1 3.26Å; W47-F53 AromaticContact CH2-CZ 3.37Å; W47-F53 HydrophobicContact CH2-CZ 3.37Å; W47-F53 AromaticContact CZ2-CE1 3.98Å; W47-F53 HydrophobicContact CZ2-CE1 3.98Å; W47-F53 AromaticContact CZ2-CZ 3.81Å; W47-F53 HydrophobicContact CZ2-CZ 3.81Å; W47-F53 HydrophobicContact CZ3-CD1 4.39Å; W47-F53 AromaticContact CZ3-CE1 3.26Å; W47-F53 HydrophobicContact CZ3-CE1 3.26Å; W47-F53 HydrophobicContact CZ3-CE2 4.11Å; W47-F53 AromaticContact CZ3-CZ 3.09Å; W47-F53 HydrophobicContact CZ3-CZ 3.09Å; I48-F53 HydrophobicContact CG1-CE2 3.85Å; I48-F53 HydrophobicContact CG1-CZ 4.42Å; F53-S55 PolarHBondContact O-N 3.29Å; F53-L56 HydrophobicContact CD1-CD1 3.8Å; F53-L56 HydrophobicContact CE1-CD1 3.95Å
54	K	33.6	Very low	41.3	Very low	179 Å²	179	98.3 Å²	98.3	78%	0.778	51%	0.511	S	S	*	.			trans	-63.4	117.3	164.8	-91.6	179.6	171.6	-178.1	0	107.4	L56	K54-L56 PolarHBondContact O-N 2.9Å; K54-L56 VanDerWaalsContact O-N 3.14Å
55	S	35.3	Very low	41.6	Very low	85 Å²	85	98 Å²	98	59%	0.594	50%	0.503	S	S	*	.			trans	4	95.1	159.4	60	0	0	0	0	114.3	F53 D57	F53-S55 PolarHBondContact O-N 3.29Å; S55-D57 VanDerWaalsContact C-N 3.27Å; S55-D57 PolarHBondContact O-N 3.43Å; S55-D57 VanDerWaalsContact O-N 3.09Å
56	L	37.8	Very low	41.7	Very low	45 Å²	45	99.5 Å²	99.5	24%	0.236	52%	0.515	C	S	.	.	S	Bend	trans	-76.2	93.2	160.2	-88.9	124.7	0	0	0	106.6	V17 G18 F53 K54	V17-L56 HydrophobicContact CG1-CB 4.24Å; V17-L56 HydrophobicContact CG1-CD1 3.52Å; V17-L56 HydrophobicContact CG1-CD2 3.91Å; V17-L56 HydrophobicContact CG1-CG 4.08Å; G18-L56 VanDerWaalsContact N-CD2 3.34Å; F53-L56 HydrophobicContact CD1-CD1 3.8Å; F53-L56 HydrophobicContact CE1-CD1 3.95Å; K54-L56 PolarHBondContact O-N 2.9Å; K54-L56 VanDerWaalsContact O-N 3.14Å
57	D	36.7	Very low	42	Very low	125 Å²	125	104 Å²	104	67%	0.668	52%	0.516	S	S	*	.	S	Bend	trans	57.8	147.5	-171.3	-70.9	-49.1	0	0	0	113.6	S55 H59 L60	S55-D57 VanDerWaalsContact C-N 3.27Å; S55-D57 PolarHBondContact O-N 3.43Å; S55-D57 VanDerWaalsContact O-N 3.09Å; D57-H59 PolarHBondContact O-N 3.42Å; D57-L60 PolarHBondContact O-N 3Å
58	E	36	Very low	42.3	Very low	179 Å²	179	103.3 Å²	103.3	84%	0.836	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	5.2	-163.1	-65.8	178.1	148.3	0	0	115.7
59	H	38.2	Very low	42.3	Very low	115 Å²	115	105.4 Å²	105.4	53%	0.532	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-5.7	-171.1	-63.4	-81	0	0	0	115.3	D57	D57-H59 PolarHBondContact O-N 3.42Å
60	L	44.9	Very low	42.9	Very low	33 Å²	33	96.4 Å²	96.4	17%	0.173	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	94	-178.8	-91.6	150.7	0	0	0	111.8	D57 F62 Y72 Y77	D57-L60 PolarHBondContact O-N 3Å; L60-F62 HydrophobicContact CB-CD2 4.1Å; L60-F62 HydrophobicContact CB-CE2 3.55Å; L60-F62 HydrophobicContact CB-CZ 4.18Å; L60-F62 HydrophobicContact CD1-CE2 4.47Å; L60-F62 HydrophobicContact CD1-CZ 4.47Å; L60-F62 HydrophobicContact CD2-CE1 4.15Å; L60-F62 HydrophobicContact CD2-CE2 3.82Å; L60-F62 HydrophobicContact CD2-CZ 3.54Å; L60-F62 HydrophobicContact CG-CE2 4.13Å; L60-F62 HydrophobicContact CG-CZ 4.26Å; L60-F62 PolarHBondContact O-N 2.84Å; L60-Y72 HydrophobicContact CD2-CD2 3.62Å; L60-Y72 HydrophobicContact CD2-CE2 4.33Å; L60-Y72 HydrophobicContact CD2-CG 4.09Å; L60-Y77 HydrophobicContact CD1-CE2 4.1Å
61	I	44.9	Very low	43.7	Very low	119 Å²	119	94.2 Å²	94.2	61%	0.61	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	100.7	172.9	-59.1	174.8	0	0	0	108	Y72 K73	I61-Y72 WeakPolarHBondContact O-CA 3.41Å; I61-K73 HydrophobicContact CB-CB 4.42Å; I61-K73 PolarHBondContact O-N 3.09Å
62	F	48.8	Very low	44.4	Very low	44 Å²	44	87.7 Å²	87.7	19%	0.193	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	124.5	171.7	-65.8	-87.6	0	0	0	110.4	V17 L60 V70 V71 Y72	V17-F62 HydrophobicContact CG2-CZ 4.34Å; L60-F62 HydrophobicContact CB-CD2 4.1Å; L60-F62 HydrophobicContact CB-CE2 3.55Å; L60-F62 HydrophobicContact CB-CZ 4.18Å; L60-F62 HydrophobicContact CD1-CE2 4.47Å; L60-F62 HydrophobicContact CD1-CZ 4.47Å; L60-F62 HydrophobicContact CD2-CE1 4.15Å; L60-F62 HydrophobicContact CD2-CE2 3.82Å; L60-F62 HydrophobicContact CD2-CZ 3.54Å; L60-F62 HydrophobicContact CG-CE2 4.13Å; L60-F62 HydrophobicContact CG-CZ 4.26Å; L60-F62 PolarHBondContact O-N 2.84Å; F62-V70 HydrophobicContact CB-CG1 3.62Å; F62-V70 HydrophobicContact CD1-CG1 3.74Å; F62-V70 HydrophobicContact CG-CG1 4.12Å; F62-V71 CarbonylContact C-O 3.43Å; F62-V71 WeakPolarHBondContact CA-O 3.15Å; F62-Y72 VanDerWaalsContact CD1-CB 3.43Å; F62-Y72 HydrophobicContact CD1-CD1 4.07Å; F62-Y72 HydrophobicContact CD1-CG 4.06Å; F62-Y72 AromaticContact CE1-CD1 3.73Å; F62-Y72 HydrophobicContact CE1-CD1 3.73Å; F62-Y72 AromaticContact CE1-CG 3.79Å; F62-Y72 HydrophobicContact CE1-CG 3.79Å
63	K	48.4	Very low	44.9	Very low	148 Å²	148	87.8 Å²	87.8	64%	0.643	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.4	114.2	173.1	-168.4	177.6	-174.4	179.1	0	109.7	L65 V71	K63-L65 PolarHBondContact O-N 2.94Å; K63-V71 HydrophobicContact CB-CB 4.32Å; K63-V71 PolarHBondContact N-O 3.14Å; K63-V71 WeakPolarHBondContact O-CB 3.45Å; K63-V71 PolarHBondContact O-N 3.36Å
64	L	47.1	Very low	45	Very low	63 Å²	63	88 Å²	88	33%	0.33	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	127.3	174.4	-131.3	87.4	0	0	0	110.3	I48 S66 Q69 V70	I48-L64 HydrophobicContact CD1-CD1 4.22Å; I48-L64 HydrophobicContact CG2-CD1 3.62Å; I48-L64 HydrophobicContact CG2-CD2 3.98Å; I48-L64 HydrophobicContact CG2-CG 4.43Å; L64-S66 WeakPolarHBondContact CD2-O 3.16Å; L64-S66 WeakPolarHBondContact CG-O 3.46Å; L64-Q69 CarbonylContact C-O 3.52Å; L64-V70 HydrophobicContact CD1-CG1 4.39Å; L64-V70 HydrophobicContact CD1-CG2 3.79Å
65	L	51.4	Low	45.1	Very low	70 Å²	70	81.1 Å²	81.1	37%	0.366	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	-36.4	170	-75.4	175.6	0	0	0	111.8	F4 A40 K63 Q69 V71	F4-L65 HydrophobicContact CE1-CD1 4.45Å; A40-L65 HydrophobicContact CB-CD1 4.25Å; K63-L65 PolarHBondContact O-N 2.94Å; L65-Q69 HydrophobicContact CB-CB 3.98Å; L65-Q69 PolarHBondContact N-O 3.29Å; L65-V71 HydrophobicContact CD1-CG2 3.22Å; L65-V71 HydrophobicContact CD2-CG2 4.08Å; L65-V71 HydrophobicContact CG-CG2 3.43Å; L65-V71 VanDerWaalsContact CG-CG2 3.43Å
66	S	50.6	Low	45	Very low	51 Å²	51	85.8 Å²	85.8	36%	0.357	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	-179.8	177.3	69.3	0	0	0	0	110.2	L64 D68 Q69	L64-S66 WeakPolarHBondContact CD2-O 3.16Å; L64-S66 WeakPolarHBondContact CG-O 3.46Å; S66-D68 PolarHBondContact O-N 3.31Å; S66-Q69 PolarHBondContact N-O 2.97Å; S66-Q69 PolarHBondContact O-N 3.35Å; S66-Q69 VanDerWaalsContact O-N 3.14Å; S66-Q69 WeakPolarHBondContact OG-CB 3.36Å; S66-Q69 WeakPolarHBondContact OG-CG 3.21Å; S66-Q69 PolarHBondContact OG-OE1 2.95Å
67	R	49.6	Very low	45	Very low	218 Å²	218	90 Å²	90	82%	0.823	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	-30	-176.9	-135.2	177.7	-171.2	171.8	2.5	113.5
68	D	51	Low	44.7	Very low	96 Å²	96	94.2 Å²	94.2	51%	0.513	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.9	13.8	-176	-49.1	-54.2	0	0	0	113.4	S42 M43 S66	S42-D68 WeakPolarHBondContact CA-O 3.15Å; S42-D68 PolarHBondContact OG-O 3.31Å; M43-D68 PolarHBondContact N-O 2.79Å; S66-D68 PolarHBondContact O-N 3.31Å
69	Q	46.1	Very low	44.4	Very low	70 Å²	70	93.5 Å²	93.5	33%	0.327	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	127.8	-177.9	-66.5	-179.5	-13.8	0	0	111.8	L64 L65 S66	L64-Q69 CarbonylContact C-O 3.52Å; L65-Q69 HydrophobicContact CB-CB 3.98Å; L65-Q69 PolarHBondContact N-O 3.29Å; S66-Q69 PolarHBondContact N-O 2.97Å; S66-Q69 PolarHBondContact O-N 3.35Å; S66-Q69 VanDerWaalsContact O-N 3.14Å; S66-Q69 WeakPolarHBondContact OG-CB 3.36Å; S66-Q69 WeakPolarHBondContact OG-CG 3.21Å; S66-Q69 PolarHBondContact OG-OE1 2.95Å
70	V	51.2	Low	44.1	Very low	8 Å²	8	95.1 Å²	95.1	5%	0.048	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	120.9	-177.4	-164.3	0	0	0	0	109.3	V41 I48 F62 L64	V41-V70 CarbonylContact C-O 3.34Å; V41-V70 WeakPolarHBondContact CA-O 3.21Å; V41-V70 PolarHBondContact N-O 2.86Å; V41-V70 CarbonylContact O-C 3.57Å; V41-V70 PolarHBondContact O-N 3.46Å; I48-V70 HydrophobicContact CD1-CG2 3.82Å; F62-V70 HydrophobicContact CB-CG1 3.62Å; F62-V70 HydrophobicContact CD1-CG1 3.74Å; F62-V70 HydrophobicContact CG-CG1 4.12Å; L64-V70 HydrophobicContact CD1-CG1 4.39Å; L64-V70 HydrophobicContact CD1-CG2 3.79Å
71	V	49.5	Very low	43.4	Very low	6 Å²	6	97.6 Å²	97.6	4%	0.036	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	142.6	168.4	172	0	0	0	0	108.3	I30 A40 F62 K63 L65	I30-V71 HydrophobicContact CD1-CB 4.15Å; I30-V71 HydrophobicContact CD1-CG1 3.64Å; I30-V71 HydrophobicContact CD1-CG2 3.35Å; A40-V71 HydrophobicContact CB-CG2 3.67Å; F62-V71 CarbonylContact C-O 3.43Å; F62-V71 WeakPolarHBondContact CA-O 3.15Å; K63-V71 HydrophobicContact CB-CB 4.32Å; K63-V71 PolarHBondContact N-O 3.14Å; K63-V71 WeakPolarHBondContact O-CB 3.45Å; K63-V71 PolarHBondContact O-N 3.36Å; L65-V71 HydrophobicContact CD1-CG2 3.22Å; L65-V71 HydrophobicContact CD2-CG2 4.08Å; L65-V71 HydrophobicContact CG-CG2 3.43Å; L65-V71 VanDerWaalsContact CG-CG2 3.43Å
72	Y	53.8	Low	42.6	Very low	12 Å²	12	101.8 Å²	101.8	5%	0.047	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	140.9	161.1	61.5	-84.5	0	0	0	111.7	R24 K39 V41 L60 I61 F62 V74	R24-Y72 VanDerWaalsContact CZ-OH 3.27Å; R24-Y72 PolarHBondContact NH2-OH 3.44Å; K39-Y72 PolarHBondContact O-N 2.79Å; V41-Y72 HydrophobicContact CB-CD1 4.44Å; V41-Y72 HydrophobicContact CB-CE1 3.95Å; V41-Y72 HydrophobicContact CG2-CD1 4.11Å; V41-Y72 HydrophobicContact CG2-CE1 3.3Å; L60-Y72 HydrophobicContact CD2-CD2 3.62Å; L60-Y72 HydrophobicContact CD2-CE2 4.33Å; L60-Y72 HydrophobicContact CD2-CG 4.09Å; I61-Y72 WeakPolarHBondContact O-CA 3.41Å; F62-Y72 VanDerWaalsContact CD1-CB 3.43Å; F62-Y72 HydrophobicContact CD1-CD1 4.07Å; F62-Y72 HydrophobicContact CD1-CG 4.06Å; F62-Y72 AromaticContact CE1-CD1 3.73Å; F62-Y72 HydrophobicContact CE1-CD1 3.73Å; F62-Y72 AromaticContact CE1-CG 3.79Å; F62-Y72 HydrophobicContact CE1-CG 3.79Å; Y72-V74 HydrophobicContact CD2-CG2 3.7Å; Y72-V74 HydrophobicContact CE2-CB 4.46Å; Y72-V74 HydrophobicContact CE2-CG2 3.36Å; Y72-V74 PolarHBondContact O-N 3.03Å
73	K	45.3	Very low	41.6	Very low	113 Å²	113	102.3 Å²	102.3	49%	0.491	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	112.7	169.9	-138	177.9	-172.5	-177.7	0	106.9	E38 I61 G75	E38-K73 WeakPolarHBondContact OE1-CE 3.3Å; I61-K73 HydrophobicContact CB-CB 4.42Å; I61-K73 PolarHBondContact O-N 3.09Å; K73-G75 VanDerWaalsContact C-N 3.28Å; K73-G75 PolarHBondContact O-N 2.92Å
74	V	43.9	Very low	40.8	Very low	69 Å²	69	106.9 Å²	106.9	42%	0.418	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	87.9	173.9	-162.4	0	0	0	0	107.5	Y72 Q76	Y72-V74 HydrophobicContact CD2-CG2 3.7Å; Y72-V74 HydrophobicContact CE2-CB 4.46Å; Y72-V74 HydrophobicContact CE2-CG2 3.36Å; Y72-V74 PolarHBondContact O-N 3.03Å; V74-Q76 PolarHBondContact O-N 2.77Å
75	G	36.8	Very low	39.9	Very low	34 Å²	34	112.5 Å²	112.5	35%	0.351	54%	0.541	S	S	.	.			trans	-72.2	100	162	0	0	0	0	0	108.1	K73 Y77	K73-G75 VanDerWaalsContact C-N 3.28Å; K73-G75 PolarHBondContact O-N 2.92Å; G75-Y77 PolarHBondContact O-N 2.86Å; G75-Y77 VanDerWaalsContact O-N 3.12Å
76	Q	33.5	Very low	38.8	Very low	183 Å²	183	116.9 Å²	116.9	86%	0.855	56%	0.559	S	S	*	*	S	Bend	trans	47.1	44.9	164.8	-64.1	-175.3	-25	0	0	117.1	V74 Y78	V74-Q76 PolarHBondContact O-N 2.77Å; Q76-Y78 PolarHBondContact O-N 3.46Å
77	Y	36.6	Very low	37.9	Very low	135 Å²	135	122.7 Å²	122.7	53%	0.529	58%	0.578	S	S	.	*			trans	-84.1	116.2	163.9	-108.8	-93.8	0	0	0	109.4	L60 G75 E79 L80	L60-Y77 HydrophobicContact CD1-CE2 4.1Å; G75-Y77 PolarHBondContact O-N 2.86Å; G75-Y77 VanDerWaalsContact O-N 3.12Å; Y77-E79 PolarHBondContact O-N 3.49Å; Y77-L80 HydrophobicContact CE1-CD1 4.19Å
78	Y	31.3	Very low	37.7	Very low	213 Å²	213	123.6 Å²	123.6	84%	0.835	60%	0.6	S	S	*	*			trans	-52.7	132.4	157.9	-76.3	-95.2	0	0	0	107.7	Q76 L80	Q76-Y78 PolarHBondContact O-N 3.46Å; Y78-L80 PolarHBondContact O-N 3.19Å
79	E	29.8	Very low	37	Very low	164 Å²	164	125 Å²	125	77%	0.766	60%	0.604	S	S	*	*			trans	-54.5	104.4	168.3	-77	176.6	141.8	0	0	107.7	Y77 T81	Y77-E79 PolarHBondContact O-N 3.49Å; E79-T81 PolarHBondContact O-N 3.12Å
80	L	31.5	Very low	36.5	Very low	148 Å²	148	127.9 Å²	127.9	78%	0.775	62%	0.618	S	S	*	*			trans	-75	61.5	163.8	-76	165.3	0	0	0	107.4	Y77 Y78 E82	Y77-L80 HydrophobicContact CE1-CD1 4.19Å; Y78-L80 PolarHBondContact O-N 3.19Å; L80-E82 PolarHBondContact O-N 3.36Å
81	T	31.1	Very low	35.7	Very low	85 Å²	85	134.6 Å²	134.6	52%	0.521	65%	0.65	S	S	.	*			trans	-69.6	110.3	156.5	37	0	0	0	0	106.1	E79 G83	E79-T81 PolarHBondContact O-N 3.12Å; T81-G83 PolarHBondContact O-N 2.69Å
82	E	28.1	Very low	34.9	Very low	208 Å²	208	142.1 Å²	142.1	97%	0.972	69%	0.686	S	S	*	*	S	Bend	trans	-56.5	90	164.8	-71.7	-171.7	130	0	0	108.3	L80	L80-E82 PolarHBondContact O-N 3.36Å
83	G	27.2	Very low	33.7	Very low	55 Å²	55	150.3 Å²	150.3	57%	0.567	73%	0.726	S	S	*	*			trans	178.3	39.8	-166.9	0	0	0	0	0	115.5	T81	T81-G83 PolarHBondContact O-N 2.69Å
84	R	31.3	Very low	32.9	Very low	244 Å²	244	152.7 Å²	152.7	92%	0.921	74%	0.742	S	S	*	*			trans	172.6	115.1	137.6	-95.2	163.2	-164.9	-165.6	5.4	111.4
85	Q	28.7	Very low	32.1	Very low	180 Å²	180	158.7 Å²	158.7	84%	0.841	77%	0.765	S	S	*	*			trans	-40.8	135.9	142.9	-62.9	167.8	-35.6	0	0	109.8
86	H	27.2	Very low	31.8	Very low	162 Å²	162	168.3 Å²	168.3	75%	0.75	80%	0.797	S	S	*	*				168	147.9	104.2	-142.5	-83.1	0	0	0	111.8
87	K	32.2	Very low	31.6	Very low	173 Å²	173	167.1 Å²	167.1	75%	0.752	79%	0.792	S	S	*	*			trans	-42.9	148.9	-179.4	-60.8	169.7	170.7	175.8	0	117.3
88	D	44.9	Very low	31.2	Very low	238 Å²	238	170 Å²	170	100%	1.273	82%	0.816	S	S	*	*				-148.1	0	101.3	-114.1	-48	0	0	0	109.8

Retrieved 88 of 88 residues in 235.8 ms (Link to these results)

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