A0A077ZLE4_TRITR Loading...

DUF290 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLE4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 96 aa.

						>A0A077ZLE4_TRITR|A0A077ZLE4
MASKVADTIKDDTLSKAETGNDGSFHLDGTDDEIGTIEPELKIYHRCLSRHVCKRRWVIKIPDKYISAPGGPDKVFDIGTVNLEINLEEDKKCLPV
					

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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	40.3	Very low	55.1	Low	235 Å²	235	117.5 Å²	117.5	100%	1.158	66%	0.658	S	S	*	*				0	89.5	0	-64.2	-70.9	-91	0	0	106.5	S3	M1-S3 PolarHBondContact O-N 2.87Å
2	A	44.6	Very low	58	Low	106 Å²	106	114.5 Å²	114.5	88%	0.876	64%	0.64	S	S	*	*			trans	-64.1	110	168.7	0	0	0	0	0	104.7	K4	A2-K4 VanDerWaalsContact C-N 3.29Å; A2-K4 PolarHBondContact O-N 3.3Å
3	S	40.9	Very low	60.7	Low	105 Å²	105	114.8 Å²	114.8	73%	0.734	65%	0.647	S	S	*	*			trans	-54.3	105	170.9	-169.3	0	0	0	0	104.6	M1 V5	M1-S3 PolarHBondContact O-N 2.87Å; S3-V5 PolarHBondContact O-N 3.33Å
4	K	46.3	Very low	63.1	Low	135 Å²	135	110.9 Å²	110.9	59%	0.587	62%	0.623	S	S	*	*			trans	-51.6	104.1	165.5	-171.5	-174.9	178	-155.6	0	102.2	A2 A6 D32	A2-K4 VanDerWaalsContact C-N 3.29Å; A2-K4 PolarHBondContact O-N 3.3Å; K4-A6 PolarHBondContact O-N 3.47Å; K4-D32 IonicContact NZ-OD2 3.84Å
5	V	51.8	Low	65.3	Low	125 Å²	125	106.9 Å²	106.9	76%	0.758	61%	0.606	S	S	*	*			trans	-59	104.5	177	178	0	0	0	0	101.4	S3 D7	S3-V5 PolarHBondContact O-N 3.33Å; V5-D7 PolarHBondContact O-N 3.09Å; V5-D7 VanDerWaalsContact O-N 3.11Å
6	A	52.4	Low	67.3	Low	40 Å²	40	107.4 Å²	107.4	33%	0.331	60%	0.599	S	S	.	*			trans	-47.1	125.6	-169.8	0	0	0	0	0	106.8	K4 T8 I34	K4-A6 PolarHBondContact O-N 3.47Å; A6-T8 PolarHBondContact O-N 2.9Å; A6-T8 PolarHBondContact O-OG1 3.08Å; A6-I34 HydrophobicContact CB-CD1 3.65Å; A6-I34 HydrophobicContact CB-CG1 3.49Å; A6-I34 VanDerWaalsContact CB-CG1 3.49Å
7	D	56.8	Low	69	Low	28 Å²	28	104.4 Å²	104.4	15%	0.15	59%	0.591	C	S	.	*	B	Isolated β-bridge	trans	-62.7	99	-159.5	-149	-29.4	0	0	0	108.2	V5 K10 E33 I34	V5-D7 PolarHBondContact O-N 3.09Å; V5-D7 VanDerWaalsContact O-N 3.11Å; D7-K10 WeakPolarHBondContact OD1-CB 3.4Å; D7-K10 WeakPolarHBondContact OD1-CG 3.26Å; D7-K10 PolarHBondContact OD1-N 3.4Å; D7-E33 WeakPolarHBondContact O-CA 3.39Å; D7-E33 WeakPolarHBondContact O-CG 3.44Å; D7-I34 PolarHBondContact O-N 3.15Å
8	T	57.1	Low	70.6	Confident	68 Å²	68	106.5 Å²	106.5	42%	0.417	60%	0.595	S	S	.	*	S	Bend	trans	-99.5	-10.3	-169	-41.6	0	0	0	0	110.8	A6 I34	A6-T8 PolarHBondContact O-N 2.9Å; A6-T8 PolarHBondContact O-OG1 3.08Å; T8-I34 HydrophobicContact CG2-CB 4.17Å; T8-I34 HydrophobicContact CG2-CD1 4.06Å; T8-I34 HydrophobicContact CG2-CG1 4.44Å; T8-I34 WeakPolarHBondContact OG1-CD1 3.26Å
9	I	62.5	Low	72	Confident	156 Å²	156	105.1 Å²	105.1	80%	0.8	59%	0.59	S	S	*	*	S	Bend	trans	-153.5	3.8	-163.8	18.6	170.3	0	0	0	114.8
10	K	70.8	Confident	73.2	Confident	139 Å²	139	101.4 Å²	101.4	60%	0.604	58%	0.576	S	S	*	*			trans	-100.3	128.6	177.5	-66.2	-170.6	169.1	-169.8	0	112.5	D7 D12	D7-K10 WeakPolarHBondContact OD1-CB 3.4Å; D7-K10 WeakPolarHBondContact OD1-CG 3.26Å; D7-K10 PolarHBondContact OD1-N 3.4Å; K10-D12 PolarHBondContact O-N 2.63Å; K10-D12 VanDerWaalsContact O-N 3.16Å
11	D	82.9	Confident	74.3	Confident	155 Å²	155	105.4 Å²	105.4	83%	0.829	60%	0.596	S	S	*	*			trans	-73.6	97.6	164.6	-59.8	-47.1	0	0	0	109.8
12	D	89.2	Confident	77	Confident	82 Å²	82	100.5 Å²	100.5	44%	0.439	57%	0.574	S	S	.	*			trans	-94.6	157.4	177.2	-78.3	-13.6	0	0	0	112.4	K10 L14	K10-D12 PolarHBondContact O-N 2.63Å; K10-D12 VanDerWaalsContact O-N 3.16Å; D12-L14 PolarHBondContact O-N 3.01Å
13	T	93.2	Very high	79.4	Confident	119 Å²	119	97.4 Å²	97.4	73%	0.73	55%	0.552	S	S	*	*			trans	-87.4	105.8	175.3	-62	0	0	0	0	109.5	K16	T13-K16 HydrophobicContact CG2-CB 4.4Å
14	L	94	Very high	82.1	Confident	60 Å²	60	95.5 Å²	95.5	31%	0.314	54%	0.54	S	S	.	.			trans	-65.5	-42.7	178.6	-54.4	-174.8	0	0	0	112.8	D12 D31 I37 P39	D12-L14 PolarHBondContact O-N 3.01Å; L14-D31 HydrophobicContact CD2-CB 3.54Å; L14-D31 WeakPolarHBondContact CD2-OD2 3.26Å; L14-I37 HydrophobicContact CD1-CD1 4.12Å; L14-P39 HydrophobicContact CD1-CB 4.23Å
15	S	96.1	Very high	84.6	Confident	51 Å²	51	93.1 Å²	93.1	36%	0.357	53%	0.529	S	S	.	.			trans	-164	156.7	-177.3	-160.2	0	0	0	0	111	D28	S15-D28 WeakPolarHBondContact CB-O 3.44Å; S15-D28 PolarHBondContact OG-O 2.95Å
16	K	97.3	Very high	86.8	Confident	114 Å²	114	93.6 Å²	93.6	50%	0.496	52%	0.523	S	S	.	.			trans	-152.3	136.4	178.9	-177.6	179.7	176	-172.1	0	110.5	T13 V96	T13-K16 HydrophobicContact CG2-CB 4.4Å; K16-V96 PolarHBondContact NZ-O 2.83Å; K16-V96 PolarHBondContact NZ-OXT 3.01Å
17	A	97	Very high	89	Confident	57 Å²	57	94.7 Å²	94.7	47%	0.471	52%	0.523	S	S	.	.			trans	-147.9	157.1	173.1	0	0	0	0	0	110.2	L27	A17-L27 HydrophobicContact CB-CD2 3.66Å
18	E	97.1	Very high	90.8	Very high	142 Å²	142	98.7 Å²	98.7	66%	0.664	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-88.2	151.4	161.5	-63.9	-68.4	160.3	0	0	108.2
19	T	96.9	Very high	92.5	Very high	80 Å²	80	97 Å²	97	49%	0.491	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-69.2	152.3	177.6	61.1	0	0	0	0	111	S24 F25	T19-S24 CarbonylContact C-O 3.53Å; T19-S24 WeakPolarHBondContact CA-O 3.48Å; T19-F25 HydrophobicContact CG2-CB 4.24Å; T19-F25 HydrophobicContact CG2-CD1 4.08Å; T19-F25 HydrophobicContact CG2-CG 4.47Å
20	G	97.3	Very high	93.8	Very high	30 Å²	30	95.2 Å²	95.2	31%	0.309	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-62.9	171.4	166.5	0	0	0	0	0	112.5	D22 G23 S24	G20-D22 PolarHBondContact O-N 2.9Å; G20-D22 VanDerWaalsContact O-N 3.14Å; G20-G23 PolarHBondContact O-N 3.14Å; G20-S24 PolarHBondContact N-O 3.03Å
21	N	96.3	Very high	94.7	Very high	187 Å²	187	90.9 Å²	90.9	100%	1	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-21.8	-179.8	-70	34.2	0	0	0	113.4
22	D	95.8	Very high	94.8	Very high	131 Å²	131	88.1 Å²	88.1	70%	0.701	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	2.4	175.1	65.2	-15.1	0	0	0	113.2	G20 S24	G20-D22 PolarHBondContact O-N 2.9Å; G20-D22 VanDerWaalsContact O-N 3.14Å; D22-S24 VanDerWaalsContact C-N 3.32Å; D22-S24 VanDerWaalsContact OD1-CB 3.26Å; D22-S24 WeakPolarHBondContact OD1-CB 3.16Å; D22-S24 PolarHBondContact OD1-N 3.17Å; D22-S24 PolarHBondContact OD1-OG 3.36Å; D22-S24 PolarHBondContact OD2-OG 2.87Å
23	G	96.4	Very high	94.4	Very high	41 Å²	41	86.6 Å²	86.6	42%	0.423	50%	0.496	S	S	.	.	S	Bend	trans	83.1	0.5	-175.4	0	0	0	0	0	114.6	G20	G20-G23 PolarHBondContact O-N 3.14Å
24	S	97.9	Very high	93.8	Very high	66 Å²	66	85.7 Å²	85.7	46%	0.462	49%	0.485	S	S	.	.			trans	-70.3	148.6	179.1	64.7	0	0	0	0	112	T19 G20 D22	T19-S24 CarbonylContact C-O 3.53Å; T19-S24 WeakPolarHBondContact CA-O 3.48Å; G20-S24 PolarHBondContact N-O 3.03Å; D22-S24 VanDerWaalsContact C-N 3.32Å; D22-S24 VanDerWaalsContact OD1-CB 3.26Å; D22-S24 WeakPolarHBondContact OD1-CB 3.16Å; D22-S24 PolarHBondContact OD1-N 3.17Å; D22-S24 PolarHBondContact OD1-OG 3.36Å; D22-S24 PolarHBondContact OD2-OG 2.87Å
25	F	98.1	Very high	93.4	Very high	85 Å²	85	86 Å²	86	37%	0.373	50%	0.503	S	S	.	.			trans	-153.2	157.3	171	67.1	-82.6	0	0	0	110.1	T19 L27 L41 I78	T19-F25 HydrophobicContact CG2-CB 4.24Å; T19-F25 HydrophobicContact CG2-CD1 4.08Å; T19-F25 HydrophobicContact CG2-CG 4.47Å; F25-L27 HydrophobicContact CD2-CD1 4.39Å; F25-L27 HydrophobicContact CD2-CG 4.25Å; F25-L41 HydrophobicContact CE2-CD1 4.08Å; F25-L41 HydrophobicContact CE2-CD2 4.22Å; F25-L41 HydrophobicContact CZ-CD2 4.04Å; F25-I78 HydrophobicContact CE1-CD1 4.05Å; F25-I78 HydrophobicContact CZ-CD1 3.73Å; F25-I78 HydrophobicContact CZ-CG1 4.16Å
26	H	97.8	Very high	93	Very high	135 Å²	135	87.8 Å²	87.8	63%	0.625	51%	0.512	S	S	*	.			trans	-142.6	130.6	171.3	-173.5	78.7	0	0	0	108
27	L	97.7	Very high	92.8	Very high	63 Å²	63	83.9 Å²	83.9	33%	0.33	50%	0.496	S	S	.	.			trans	-127.5	131.3	179.5	-64.8	175.5	0	0	0	108.2	A17 F25 L41	A17-L27 HydrophobicContact CB-CD2 3.66Å; F25-L27 HydrophobicContact CD2-CD1 4.39Å; F25-L27 HydrophobicContact CD2-CG 4.25Å; L27-L41 HydrophobicContact CD1-CD1 3.95Å
28	D	95.2	Very high	92.5	Very high	112 Å²	112	88.3 Å²	88.3	60%	0.599	51%	0.507	S	S	*	.			trans	-135.7	144.6	169.7	-174.1	-90.1	0	0	0	107.6	S15	S15-D28 WeakPolarHBondContact CB-O 3.44Å; S15-D28 PolarHBondContact OG-O 2.95Å
29	G	92.7	Very high	92.4	Very high	31 Å²	31	82.4 Å²	82.4	32%	0.32	48%	0.481	S	S	.	.			trans	-163.6	158.3	-177.4	0	0	0	0	0	111
30	T	90.7	Very high	92.3	Very high	119 Å²	119	82.2 Å²	82.2	73%	0.73	47%	0.474	S	S	*	.			trans	-131.6	143.9	179.4	-59.6	0	0	0	0	108.4
31	D	89.5	Confident	92.3	Very high	49 Å²	49	81.6 Å²	81.6	26%	0.262	46%	0.464	S	S	.	.			trans	-132.7	163.9	171.3	-141.2	-18.6	0	0	0	112.1	L14 I37	L14-D31 HydrophobicContact CD2-CB 3.54Å; L14-D31 WeakPolarHBondContact CD2-OD2 3.26Å; D31-I37 HydrophobicContact CB-CG2 3.99Å
32	D	85.7	Confident	92.2	Very high	96 Å²	96	76.6 Å²	76.6	51%	0.513	43%	0.433	S	S	.	.			trans	-116.6	84.7	174.4	-179.3	32.1	0	0	0	109.3	K4	K4-D32 IonicContact NZ-OD2 3.84Å
33	E	79.2	Confident	92.2	Very high	51 Å²	51	71.8 Å²	71.8	24%	0.238	41%	0.407	C	S	.	.	B	Isolated β-bridge	trans	-110.3	145.7	179.7	176	161.4	-152.6	0	0	111.1	D7 G35 I37	D7-E33 WeakPolarHBondContact O-CA 3.39Å; D7-E33 WeakPolarHBondContact O-CG 3.44Å; E33-G35 PolarHBondContact O-N 3.05Å; E33-I37 HydrophobicContact CB-CG2 3.91Å; E33-I37 VanDerWaalsContact OE2-CA 3.27Å; E33-I37 WeakPolarHBondContact OE2-CA 3.39Å
34	I	81.1	Confident	92	Very high	99 Å²	99	72.6 Å²	72.6	51%	0.508	40%	0.398	S	S	.	.	S	Bend	trans	-69.2	104	168.1	-54.9	-170.9	0	0	0	109	A6 D7 T8	A6-I34 HydrophobicContact CB-CD1 3.65Å; A6-I34 HydrophobicContact CB-CG1 3.49Å; A6-I34 VanDerWaalsContact CB-CG1 3.49Å; D7-I34 PolarHBondContact O-N 3.15Å; T8-I34 HydrophobicContact CG2-CB 4.17Å; T8-I34 HydrophobicContact CG2-CD1 4.06Å; T8-I34 HydrophobicContact CG2-CG1 4.44Å; T8-I34 WeakPolarHBondContact OG1-CD1 3.26Å
35	G	85.6	Confident	91.8	Very high	67 Å²	67	70.1 Å²	70.1	69%	0.691	38%	0.379	S	S	*	.	S	Bend	trans	115.5	-140.1	175.9	0	0	0	0	0	111.5	E33	E33-G35 PolarHBondContact O-N 3.05Å
36	T	88.7	Confident	91.4	Very high	88 Å²	88	72 Å²	72	54%	0.54	38%	0.384	S	S	.	.			trans	-107.3	130.6	175.4	-58.5	0	0	0	0	107.6	I66	T36-I66 HydrophobicContact CG2-CD1 3.49Å; T36-I66 VanDerWaalsContact CG2-CD1 3.49Å
37	I	91.4	Very high	91.1	Very high	33 Å²	33	68 Å²	68	17%	0.169	37%	0.37	C	S	.	.			trans	-58.6	150.5	174.9	58.3	168.8	0	0	0	111.4	L14 D31 E33 P39 I66	L14-I37 HydrophobicContact CD1-CD1 4.12Å; D31-I37 HydrophobicContact CB-CG2 3.99Å; E33-I37 HydrophobicContact CB-CG2 3.91Å; E33-I37 VanDerWaalsContact OE2-CA 3.27Å; E33-I37 WeakPolarHBondContact OE2-CA 3.39Å; I37-P39 HydrophobicContact CD1-CG 4.49Å; I37-P39 WeakPolarHBondContact O-CD 3.34Å; I37-I66 HydrophobicContact CD1-CG1 4.35Å; I37-I66 HydrophobicContact CD1-CG2 4.19Å; I37-I66 HydrophobicContact CG1-CD1 3.73Å; I37-I66 HydrophobicContact CG1-CG1 4.03Å; I37-I66 HydrophobicContact CG1-CG2 3.95Å; I37-I66 WeakPolarHBondContact O-CD1 2.95Å
38	E	91.7	Very high	90.5	Very high	149 Å²	149	71 Å²	71	70%	0.696	39%	0.386	S	S	*	.			trans	-111.4	71.8	175.8	-64.1	-172.2	94	0	0	111
39	P	94.6	Very high	89.9	Confident	18 Å²	18	66.9 Å²	66.9	12%	0.117	37%	0.366	C	S	.	.			trans	-67.8	136.3	-168.9	24.4	-31.8	0	0	0	113.1	L14 I37 I61 I66	L14-P39 HydrophobicContact CD1-CB 4.23Å; I37-P39 HydrophobicContact CD1-CG 4.49Å; I37-P39 WeakPolarHBondContact O-CD 3.34Å; P39-I61 HydrophobicContact CB-CB 4.27Å; P39-I61 HydrophobicContact CB-CD1 4.4Å; P39-I61 HydrophobicContact CG-CB 4Å; P39-I61 HydrophobicContact CG-CG2 4.37Å; P39-I61 PolarHBondContact O-N 3.43Å; P39-I66 HydrophobicContact CG-CD1 4.09Å; P39-I66 HydrophobicContact CG-CG1 3.98Å
40	E	95.7	Very high	89.2	Confident	76 Å²	76	76.8 Å²	76.8	36%	0.355	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	128.4	174.1	-63.1	-172.6	139.7	0	0	111.5	K42 V58 I59 K60	E40-K42 WeakPolarHBondContact OE2-CE 3.33Å; E40-K42 IonicContact OE2-NZ 2.78Å; E40-K42 PolarHBondContact OE2-NZ 2.81Å; E40-V58 HydrophobicContact CB-CG1 4.2Å; E40-V58 VanDerWaalsContact CD-CG1 3.48Å; E40-V58 HydrophobicContact CG-CG1 4.23Å; E40-V58 WeakPolarHBondContact OE1-CG1 3.15Å; E40-V58 WeakPolarHBondContact OE2-CG1 3.3Å; E40-I59 CarbonylContact C-O 3.58Å; E40-I59 WeakPolarHBondContact CA-O 3.4Å; E40-K60 HydrophobicContact CG-CG 4.37Å
41	L	96.2	Very high	88.5	Confident	18 Å²	18	76.7 Å²	76.7	9%	0.094	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	116.5	165.7	177.5	63.2	0	0	0	109.5	F25 L27 I43 I59 I61 I78	F25-L41 HydrophobicContact CE2-CD1 4.08Å; F25-L41 HydrophobicContact CE2-CD2 4.22Å; F25-L41 HydrophobicContact CZ-CD2 4.04Å; L27-L41 HydrophobicContact CD1-CD1 3.95Å; L41-I43 HydrophobicContact CD2-CD1 4.22Å; L41-I43 HydrophobicContact CD2-CG1 4.31Å; L41-I43 HydrophobicContact CG-CG1 4.09Å; L41-I59 HydrophobicContact CB-CB 4.36Å; L41-I59 PolarHBondContact N-O 2.77Å; L41-I59 PolarHBondContact O-N 2.97Å; L41-I61 HydrophobicContact CB-CD1 4.23Å; L41-I61 HydrophobicContact CB-CG1 4.41Å; L41-I78 HydrophobicContact CD2-CD1 4.09Å; L41-I78 HydrophobicContact CD2-CG2 4Å
42	K	94.8	Very high	88.1	Confident	82 Å²	82	80.5 Å²	80.5	36%	0.357	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	111.1	177.5	-68.9	172.7	175.9	145.5	0	110.4	E40 Y44 W57 V58	E40-K42 WeakPolarHBondContact OE2-CE 3.33Å; E40-K42 IonicContact OE2-NZ 2.78Å; E40-K42 PolarHBondContact OE2-NZ 2.81Å; K42-Y44 HydrophobicContact CB-CD2 4.48Å; K42-Y44 HydrophobicContact CB-CE2 3.67Å; K42-W57 CarbonylContact C-O 3.59Å; K42-W57 VanDerWaalsContact CA-O 3.31Å; K42-W57 WeakPolarHBondContact CA-O 3.45Å; K42-V58 HydrophobicContact CG-CG1 4.39Å; K42-V58 HydrophobicContact CG-CG2 4.32Å
43	I	94.7	Very high	88.1	Confident	30 Å²	30	76.8 Å²	76.8	15%	0.154	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	124	179.4	-56	175	0	0	0	109	L41 R56 W57 I59 I78 L83	L41-I43 HydrophobicContact CD2-CD1 4.22Å; L41-I43 HydrophobicContact CD2-CG1 4.31Å; L41-I43 HydrophobicContact CG-CG1 4.09Å; I43-R56 WeakPolarHBondContact O-CA 3.36Å; I43-W57 HydrophobicContact CB-CB 4.33Å; I43-W57 HydrophobicContact CD1-CE3 4.43Å; I43-W57 PolarHBondContact N-O 2.96Å; I43-W57 PolarHBondContact O-N 2.85Å; I43-I59 HydrophobicContact CD1-CD1 4.21Å; I43-I78 HydrophobicContact CD1-CD1 4.06Å; I43-L83 HydrophobicContact CG2-CD2 4.27Å
44	Y	93.7	Very high	88.6	Confident	57 Å²	57	76.9 Å²	76.9	22%	0.224	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	114.7	179.8	-61.6	-92	0	0	0	111.1	K42 R55 R56 K92 V96	K42-Y44 HydrophobicContact CB-CD2 4.48Å; K42-Y44 HydrophobicContact CB-CE2 3.67Å; Y44-R55 WeakPolarHBondContact CA-O 3.47Å; Y44-R56 HydrophobicContact CD1-CB 4.07Å; Y44-R56 HydrophobicContact CD1-CG 4Å; Y44-R56 HydrophobicContact CE1-CB 4.07Å; Y44-R56 HydrophobicContact CE1-CG 3.64Å; Y44-K92 HydrophobicContact CD1-CB 4.1Å; Y44-K92 HydrophobicContact CD1-CG 4.41Å; Y44-K92 HydrophobicContact CE1-CB 3.85Å; Y44-K92 HydrophobicContact CE1-CG 3.85Å; Y44-V96 HydrophobicContact CD1-CG2 3.66Å; Y44-V96 HydrophobicContact CD2-CG1 4.05Å; Y44-V96 HydrophobicContact CD2-CG2 4.23Å; Y44-V96 HydrophobicContact CE1-CG1 4.4Å; Y44-V96 HydrophobicContact CE1-CG2 3.57Å; Y44-V96 HydrophobicContact CE2-CG1 3.64Å; Y44-V96 HydrophobicContact CE2-CG2 4.19Å; Y44-V96 HydrophobicContact CG-CG2 3.97Å
45	H	93	Very high	89.1	Confident	15 Å²	15	72.9 Å²	72.9	7%	0.069	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	171.2	-175.4	69.6	103.5	0	0	0	112.9	C47 K54 R55 W57 L83	H45-C47 WeakPolarHBondContact ND1-CB 3.04Å; H45-C47 PolarHBondContact ND1-N 3.03Å; H45-K54 CarbonylContact O-C 3.57Å; H45-K54 WeakPolarHBondContact O-CA 3.45Å; H45-R55 PolarHBondContact N-O 2.02Å; H45-R55 WeakPolarHBondContact NE2-CB 3.4Å; H45-R55 PolarHBondContact O-N 2.89Å; H45-W57 AromaticContact NE2-CE2 3.86Å; H45-W57 AromaticContact NE2-NE1 3.55Å; H45-L83 HydrophobicContact CB-CD1 3.86Å; H45-L83 PolarHBondContact CE1-O 2.93Å
46	R	90.4	Very high	89.4	Confident	124 Å²	124	72.4 Å²	72.4	47%	0.468	35%	0.346	S	S	.	.			trans	-118.5	8.2	-179.8	-65.2	-176.8	177.2	-75.1	-2.7	113.5	L48 S49 H51 V52 K54	R46-L48 PolarHBondContact O-N 2.67Å; R46-L48 VanDerWaalsContact O-N 3.17Å; R46-S49 WeakPolarHBondContact O-CB 3.38Å; R46-S49 PolarHBondContact O-N 3.15Å; R46-H51 PolarHBondContact NH1-O 2.8Å; R46-V52 VanDerWaalsContact CZ-O 3.28Å; R46-V52 VanDerWaalsContact NH1-C 3.27Å; R46-V52 PolarHBondContact NH1-O 2.87Å; R46-V52 PolarHBondContact NH2-O 3.31Å; R46-K54 HydrophobicContact CG-CG 4.21Å
47	C	91.1	Very high	89.6	Confident	50 Å²	50	69 Å²	69	34%	0.338	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	124.1	178.4	-56.1	0	0	0	0	110.1	H45 S49 R55 L83	H45-C47 WeakPolarHBondContact ND1-CB 3.04Å; H45-C47 PolarHBondContact ND1-N 3.03Å; C47-S49 PolarHBondContact O-N 2.74Å; C47-R55 WeakPolarHBondContact O-CD 3.46Å; C47-R55 PolarHBondContact O-NH1 2.79Å; C47-L83 HydrophobicContact CB-CB 4.14Å
48	L	85.5	Confident	89.6	Confident	127 Å²	127	70.3 Å²	70.3	67%	0.665	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	11.5	-174.4	-51.5	178.4	0	0	0	115.2	R46 E84	R46-L48 PolarHBondContact O-N 2.67Å; R46-L48 VanDerWaalsContact O-N 3.17Å; L48-E84 HydrophobicContact CD1-CB 3.97Å; L48-E84 HydrophobicContact CD1-CG 4.07Å; L48-E84 HydrophobicContact CG-CG 4.21Å
49	S	82.2	Confident	89.7	Confident	26 Å²	26	65.7 Å²	65.7	18%	0.182	31%	0.312	C	S	.	.			trans	-89.9	112.9	173.2	-173.3	0	0	0	0	110.1	R46 C47 H51 C53	R46-S49 WeakPolarHBondContact O-CB 3.38Å; R46-S49 PolarHBondContact O-N 3.15Å; C47-S49 PolarHBondContact O-N 2.74Å; S49-H51 VanDerWaalsContact C-N 3.27Å; S49-C53 PolarHBondContact OG-O 2.71Å
50	R	77.4	Confident	89.8	Confident	239 Å²	239	71.9 Å²	71.9	90%	0.902	34%	0.338	S	S	*	.			trans	-85	1.3	174.1	-60.3	-170.2	-178.2	-147.7	0.9	113.5
51	H	76.4	Confident	89.8	Confident	117 Å²	117	70.1 Å²	70.1	54%	0.542	33%	0.33	S	S	.	.	S	Bend	trans	-110.4	162.8	-172.9	-57.2	-70.5	0	0	0	111.8	R46 S49 C53	R46-H51 PolarHBondContact NH1-O 2.8Å; S49-H51 VanDerWaalsContact C-N 3.27Å; H51-C53 PolarHBondContact O-N 3.02Å; H51-C53 VanDerWaalsContact O-N 3.15Å
52	V	81.2	Confident	89.9	Confident	129 Å²	129	72 Å²	72	78%	0.782	34%	0.344	S	S	*	.	S	Bend	trans	-58.4	-23.2	172.2	-92.4	0	0	0	0	112.9	R46	R46-V52 VanDerWaalsContact CZ-O 3.28Å; R46-V52 VanDerWaalsContact NH1-C 3.27Å; R46-V52 PolarHBondContact NH1-O 2.87Å; R46-V52 PolarHBondContact NH2-O 3.31Å
53	C	86	Confident	89.8	Confident	17 Å²	17	73 Å²	73	12%	0.115	35%	0.353	C	S	.	.	S	Bend	trans	-76.8	141.1	177.9	-45.8	0	0	0	0	112.7	S49 H51 K91 K92 C93	S49-C53 PolarHBondContact OG-O 2.71Å; H51-C53 PolarHBondContact O-N 3.02Å; H51-C53 VanDerWaalsContact O-N 3.15Å; C53-K91 HydrophobicContact CB-CB 4.29Å; C53-K92 WeakPolarHBondContact CA-O 3.05Å; C53-C93 HydrophobicContact CB-CB 3.92Å; C53-C93 WeakPolarHBondContact CB-SG 3.31Å; C53-C93 WeakPolarHBondContact SG-CB 3.32Å; C53-C93 CovalentContact SG-SG 2.02Å; C53-C93 PolarHBondContact SG-SG 2.8Å
54	K	90.1	Very high	89.9	Confident	54 Å²	54	78.3 Å²	78.3	24%	0.235	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	144.1	169.5	-62.8	-171.9	-178.6	-173.9	0	109.3	H45 R46 K92	H45-K54 CarbonylContact O-C 3.57Å; H45-K54 WeakPolarHBondContact O-CA 3.45Å; R46-K54 HydrophobicContact CG-CG 4.21Å; K54-K92 PolarHBondContact N-O 2.85Å; K54-K92 PolarHBondContact O-N 2.88Å
55	R	90.2	Very high	90.1	Very high	15 Å²	15	79 Å²	79	6%	0.057	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	136.6	163.7	-71.3	172.4	72.8	-167.5	-2.4	107.9	Y44 H45 C47 L83 I85 E89	Y44-R55 WeakPolarHBondContact CA-O 3.47Å; H45-R55 PolarHBondContact N-O 2.02Å; H45-R55 WeakPolarHBondContact NE2-CB 3.4Å; H45-R55 PolarHBondContact O-N 2.89Å; C47-R55 WeakPolarHBondContact O-CD 3.46Å; C47-R55 PolarHBondContact O-NH1 2.79Å; R55-L83 PolarHBondContact NH1-O 3.09Å; R55-L83 VanDerWaalsContact NH1-O 3.08Å; R55-I85 PolarHBondContact NH2-O 2.83Å; R55-E89 WeakPolarHBondContact CB-OE2 3.04Å; R55-E89 IonicContact CZ-OE1 3.58Å; R55-E89 IonicContact CZ-OE2 3.03Å; R55-E89 IonicContact NE-OE1 2.71Å; R55-E89 PolarHBondContact NE-OE1 3.19Å; R55-E89 IonicContact NE-OE2 2.67Å; R55-E89 PolarHBondContact NE-OE2 3.16Å; R55-E89 IonicContact NH2-OE1 3.31Å; R55-E89 PolarHBondContact NH2-OE1 2.89Å; R55-E89 IonicContact NH2-OE2 3.09Å; R55-E89 PolarHBondContact NH2-OE2 3.01Å
56	R	91.6	Very high	90.2	Very high	57 Å²	57	80 Å²	80	22%	0.215	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	120.2	-179.2	-176.9	177.8	68	-180	1.7	110.1	I43 Y44 V58 D90 K92	I43-R56 WeakPolarHBondContact O-CA 3.36Å; Y44-R56 HydrophobicContact CD1-CB 4.07Å; Y44-R56 HydrophobicContact CD1-CG 4Å; Y44-R56 HydrophobicContact CE1-CB 4.07Å; Y44-R56 HydrophobicContact CE1-CG 3.64Å; R56-V58 HydrophobicContact CG-CG2 4.14Å; R56-D90 VanDerWaalsContact CZ-CG 3.47Å; R56-D90 IonicContact CZ-OD1 3.21Å; R56-D90 IonicContact CZ-OD2 3Å; R56-D90 PolarHBondContact N-O 2.97Å; R56-D90 IonicContact NE-OD1 2.76Å; R56-D90 PolarHBondContact NE-OD1 3.21Å; R56-D90 IonicContact NE-OD2 2.91Å; R56-D90 PolarHBondContact NE-OD2 3.2Å; R56-D90 IonicContact NH2-OD1 2.84Å; R56-D90 PolarHBondContact NH2-OD1 2.76Å; R56-D90 IonicContact NH2-OD2 2.81Å; R56-D90 PolarHBondContact NH2-OD2 2.65Å; R56-K92 HydrophobicContact CB-CB 4.49Å
57	W	92.6	Very high	90.4	Very high	16 Å²	16	76.1 Å²	76.1	6%	0.061	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	138	165.3	-63	0.1	0	0	0	109.2	K42 I43 H45 V81 L83 I85 E89	K42-W57 CarbonylContact C-O 3.59Å; K42-W57 VanDerWaalsContact CA-O 3.31Å; K42-W57 WeakPolarHBondContact CA-O 3.45Å; I43-W57 HydrophobicContact CB-CB 4.33Å; I43-W57 HydrophobicContact CD1-CE3 4.43Å; I43-W57 PolarHBondContact N-O 2.96Å; I43-W57 PolarHBondContact O-N 2.85Å; H45-W57 AromaticContact NE2-CE2 3.86Å; H45-W57 AromaticContact NE2-NE1 3.55Å; W57-V81 HydrophobicContact CH2-CG1 3.95Å; W57-V81 HydrophobicContact CZ3-CG1 3.66Å; W57-L83 HydrophobicContact CE3-CD2 4.26Å; W57-L83 HydrophobicContact CH2-CD2 3.9Å; W57-L83 HydrophobicContact CZ2-CD2 4.43Å; W57-L83 HydrophobicContact CZ3-CD2 3.79Å; W57-I85 HydrophobicContact CH2-CB 4.22Å; W57-I85 HydrophobicContact CZ2-CB 4.33Å; W57-I85 WeakPolarHBondContact CZ2-O 3.36Å; W57-E89 PolarHBondContact NE1-OE2 3.11Å
58	V	92.9	Very high	90.4	Very high	61 Å²	61	77.2 Å²	77.2	37%	0.37	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	114.3	175.3	-174	0	0	0	0	107.7	E40 K42 R56	E40-V58 HydrophobicContact CB-CG1 4.2Å; E40-V58 VanDerWaalsContact CD-CG1 3.48Å; E40-V58 HydrophobicContact CG-CG1 4.23Å; E40-V58 WeakPolarHBondContact OE1-CG1 3.15Å; E40-V58 WeakPolarHBondContact OE2-CG1 3.3Å; K42-V58 HydrophobicContact CG-CG1 4.39Å; K42-V58 HydrophobicContact CG-CG2 4.32Å; R56-V58 HydrophobicContact CG-CG2 4.14Å
59	I	94.1	Very high	90.6	Very high	51 Å²	51	77.6 Å²	77.6	26%	0.262	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	114.6	-178	-57.3	170.7	0	0	0	107.8	E40 L41 I43 I61 F76	E40-I59 CarbonylContact C-O 3.58Å; E40-I59 WeakPolarHBondContact CA-O 3.4Å; L41-I59 HydrophobicContact CB-CB 4.36Å; L41-I59 PolarHBondContact N-O 2.77Å; L41-I59 PolarHBondContact O-N 2.97Å; I43-I59 HydrophobicContact CD1-CD1 4.21Å; I59-I61 PolarHBondContact O-N 2.68Å; I59-F76 HydrophobicContact CG2-CE1 4.17Å; I59-F76 HydrophobicContact CG2-CZ 4.43Å
60	K	95.3	Very high	90.9	Very high	149 Å²	149	80.7 Å²	80.7	65%	0.648	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	127.4	172.3	-66.7	-165.1	172.3	-156.1	0	109.9	E40	E40-K60 HydrophobicContact CG-CG 4.37Å
61	I	96.7	Very high	91.6	Very high	38 Å²	38	70.8 Å²	70.8	20%	0.195	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-89.6	124.2	176.5	-59.4	178.6	0	0	0	107.8	P39 L41 I59 Y65 F76	P39-I61 HydrophobicContact CB-CB 4.27Å; P39-I61 HydrophobicContact CB-CD1 4.4Å; P39-I61 HydrophobicContact CG-CB 4Å; P39-I61 HydrophobicContact CG-CG2 4.37Å; P39-I61 PolarHBondContact O-N 3.43Å; L41-I61 HydrophobicContact CB-CD1 4.23Å; L41-I61 HydrophobicContact CB-CG1 4.41Å; I59-I61 PolarHBondContact O-N 2.68Å; I61-Y65 HydrophobicContact CG2-CD2 4.16Å; I61-Y65 HydrophobicContact CG2-CG 4.37Å; I61-F76 HydrophobicContact CB-CD1 4.4Å; I61-F76 HydrophobicContact CD1-CD1 4.19Å; I61-F76 HydrophobicContact CG1-CD1 3.78Å; I61-F76 HydrophobicContact CG1-CE1 4.12Å; I61-F76 HydrophobicContact CG2-CB 3.94Å; I61-F76 HydrophobicContact CG2-CD1 4.09Å; I61-F76 HydrophobicContact CG2-CG 3.98Å
62	P	97	Very high	92.4	Very high	58 Å²	58	69.8 Å²	69.8	38%	0.377	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-62.9	142.5	-179.2	-24.6	34.2	0	0	0	113.5	K64 Y65	P62-K64 HydrophobicContact CB-CG 4.25Å; P62-K64 PolarHBondContact O-N 3.44Å; P62-Y65 HydrophobicContact CB-CD2 4.14Å; P62-Y65 HydrophobicContact CB-CE2 4.35Å; P62-Y65 HydrophobicContact CG-CD2 4.33Å; P62-Y65 HydrophobicContact CG-CE2 4.23Å; P62-Y65 WeakPolarHBondContact O-CD2 2.94Å; P62-Y65 PolarHBondContact O-N 3.46Å
63	D	94.7	Very high	92.9	Very high	104 Å²	104	70.4 Å²	70.4	56%	0.556	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-54.7	-25.7	-175.1	-51.5	0.2	0	0	0	114.2	Y65 I66	D63-Y65 PolarHBondContact O-N 2.83Å; D63-Y65 VanDerWaalsContact O-N 3.09Å; D63-I66 HydrophobicContact CB-CD1 4.13Å; D63-I66 WeakPolarHBondContact O-CB 3.35Å; D63-I66 PolarHBondContact O-N 2.92Å
64	K	96	Very high	93.4	Very high	140 Å²	140	74.1 Å²	74.1	61%	0.609	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-59.7	-21.9	177.5	71.2	179.4	-177.3	176.4	0	113.4	P62 K74	P62-K64 HydrophobicContact CB-CG 4.25Å; P62-K64 PolarHBondContact O-N 3.44Å; K64-K74 WeakPolarHBondContact O-CD 3.09Å; K64-K74 PolarHBondContact O-NZ 3.48Å
65	Y	97.4	Very high	93.8	Very high	71 Å²	71	76 Å²	76	28%	0.278	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-87.8	-4.8	176.3	-64	-77.3	0	0	0	113.5	I61 P62 D63 K74 V75 F76	I61-Y65 HydrophobicContact CG2-CD2 4.16Å; I61-Y65 HydrophobicContact CG2-CG 4.37Å; P62-Y65 HydrophobicContact CB-CD2 4.14Å; P62-Y65 HydrophobicContact CB-CE2 4.35Å; P62-Y65 HydrophobicContact CG-CD2 4.33Å; P62-Y65 HydrophobicContact CG-CE2 4.23Å; P62-Y65 WeakPolarHBondContact O-CD2 2.94Å; P62-Y65 PolarHBondContact O-N 3.46Å; D63-Y65 PolarHBondContact O-N 2.83Å; D63-Y65 VanDerWaalsContact O-N 3.09Å; Y65-K74 HydrophobicContact CD1-CB 4.29Å; Y65-V75 VanDerWaalsContact CE1-O 3.3Å; Y65-V75 WeakPolarHBondContact CE1-O 3.42Å; Y65-F76 HydrophobicContact CD1-CB 3.9Å; Y65-F76 HydrophobicContact CD2-CB 4.04Å; Y65-F76 AromaticContact CD2-CD2 3.79Å; Y65-F76 HydrophobicContact CD2-CD2 3.79Å; Y65-F76 HydrophobicContact CD2-CG 4.22Å; Y65-F76 HydrophobicContact CE1-CB 4.22Å; Y65-F76 HydrophobicContact CE1-CD2 4.27Å; Y65-F76 HydrophobicContact CE2-CB 4.32Å; Y65-F76 AromaticContact CE2-CD2 3.36Å; Y65-F76 HydrophobicContact CE2-CD2 3.36Å; Y65-F76 HydrophobicContact CE2-CE2 4.05Å; Y65-F76 HydrophobicContact CE2-CG 4.21Å; Y65-F76 HydrophobicContact CG-CB 3.82Å; Y65-F76 HydrophobicContact CG-CD2 4.38Å; Y65-F76 HydrophobicContact CG-CG 4.49Å; Y65-F76 AromaticContact CZ-CD2 3.64Å
66	I	95.6	Very high	94.1	Very high	36 Å²	36	78.2 Å²	78.2	19%	0.185	45%	0.449	C	S	.	.			trans	-79.1	139.7	171.6	-56.3	164.1	0	0	0	108.4	T36 I37 P39 D63 K74	T36-I66 HydrophobicContact CG2-CD1 3.49Å; T36-I66 VanDerWaalsContact CG2-CD1 3.49Å; I37-I66 HydrophobicContact CD1-CG1 4.35Å; I37-I66 HydrophobicContact CD1-CG2 4.19Å; I37-I66 HydrophobicContact CG1-CD1 3.73Å; I37-I66 HydrophobicContact CG1-CG1 4.03Å; I37-I66 HydrophobicContact CG1-CG2 3.95Å; I37-I66 WeakPolarHBondContact O-CD1 2.95Å; P39-I66 HydrophobicContact CG-CD1 4.09Å; P39-I66 HydrophobicContact CG-CG1 3.98Å; D63-I66 HydrophobicContact CB-CD1 4.13Å; D63-I66 WeakPolarHBondContact O-CB 3.35Å; D63-I66 PolarHBondContact O-N 2.92Å; I66-K74 PolarHBondContact O-NZ 2.88Å
67	S	94.8	Very high	94.4	Very high	43 Å²	43	81.5 Å²	81.5	30%	0.301	47%	0.471	S	S	.	.			trans	-122.1	139.9	175.5	-74.4	0	0	0	0	110.5	P72	S67-P72 WeakPolarHBondContact CB-O 3.46Å; S67-P72 PolarHBondContact OG-O 2.76Å
68	A	91.4	Very high	94.6	Very high	74 Å²	74	83 Å²	83	61%	0.612	48%	0.479	S	S	*	.			trans	-65.9	158.6	171.6	0	0	0	0	0	110.2	G70 G71	A68-G70 PolarHBondContact O-N 2.81Å; A68-G71 WeakPolarHBondContact O-CA 3.34Å; A68-G71 PolarHBondContact O-N 2.91Å
69	P	88.2	Confident	94.8	Very high	135 Å²	135	82.1 Å²	82.1	88%	0.877	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	124.1	175.7	-27.2	35.1	0	0	0	112	G71	P69-G71 VanDerWaalsContact C-N 3.26Å; P69-G71 PolarHBondContact O-N 2.84Å
70	G	89	Confident	94.9	Very high	91 Å²	91	87 Å²	87	94%	0.938	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	5.7	-176.6	0	0	0	0	0	115.5	A68	A68-G70 PolarHBondContact O-N 2.81Å
71	G	91.6	Very high	94.9	Very high	30 Å²	30	82.8 Å²	82.8	31%	0.309	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-73.5	173.8	170.7	0	0	0	0	0	112.9	A68 P69	A68-G71 WeakPolarHBondContact O-CA 3.34Å; A68-G71 PolarHBondContact O-N 2.91Å; P69-G71 VanDerWaalsContact C-N 3.26Å; P69-G71 PolarHBondContact O-N 2.84Å
72	P	94.3	Very high	94.8	Very high	96 Å²	96	85.5 Å²	85.5	62%	0.623	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-70.5	146.3	178.2	30.1	-34.9	0	0	0	111.6	S67 K74	S67-P72 WeakPolarHBondContact CB-O 3.46Å; S67-P72 PolarHBondContact OG-O 2.76Å; P72-K74 PolarHBondContact O-N 2.97Å
73	D	92.6	Very high	94.6	Very high	142 Å²	142	85 Å²	85	76%	0.759	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-66.5	133.3	173.5	-58.1	-26.5	0	0	0	110.5
74	K	96.2	Very high	94.4	Very high	95 Å²	95	85.5 Å²	85.5	41%	0.413	51%	0.51	S	S	.	.			trans	-125.6	101.6	177	-61.6	-179.7	-161.3	158.6	0	109.5	K64 Y65 I66 P72	K64-K74 WeakPolarHBondContact O-CD 3.09Å; K64-K74 PolarHBondContact O-NZ 3.48Å; Y65-K74 HydrophobicContact CD1-CB 4.29Å; I66-K74 PolarHBondContact O-NZ 2.88Å; P72-K74 PolarHBondContact O-N 2.97Å
75	V	97	Very high	94	Very high	94 Å²	94	82.7 Å²	82.7	57%	0.57	50%	0.501	S	S	*	.			trans	-82.3	123.4	-176.2	-178.2	0	0	0	0	110.5	Y65 D77	Y65-V75 VanDerWaalsContact CE1-O 3.3Å; Y65-V75 WeakPolarHBondContact CE1-O 3.42Å; V75-D77 PolarHBondContact O-N 2.59Å
76	F	98	Very high	93.1	Very high	61 Å²	61	85.8 Å²	85.8	27%	0.268	52%	0.522	S	S	.	.			trans	-85.6	98.7	165.2	178.7	-118	0	0	0	109.6	I59 I61 Y65 I78	I59-F76 HydrophobicContact CG2-CE1 4.17Å; I59-F76 HydrophobicContact CG2-CZ 4.43Å; I61-F76 HydrophobicContact CB-CD1 4.4Å; I61-F76 HydrophobicContact CD1-CD1 4.19Å; I61-F76 HydrophobicContact CG1-CD1 3.78Å; I61-F76 HydrophobicContact CG1-CE1 4.12Å; I61-F76 HydrophobicContact CG2-CB 3.94Å; I61-F76 HydrophobicContact CG2-CD1 4.09Å; I61-F76 HydrophobicContact CG2-CG 3.98Å; Y65-F76 HydrophobicContact CD1-CB 3.9Å; Y65-F76 HydrophobicContact CD2-CB 4.04Å; Y65-F76 AromaticContact CD2-CD2 3.79Å; Y65-F76 HydrophobicContact CD2-CD2 3.79Å; Y65-F76 HydrophobicContact CD2-CG 4.22Å; Y65-F76 HydrophobicContact CE1-CB 4.22Å; Y65-F76 HydrophobicContact CE1-CD2 4.27Å; Y65-F76 HydrophobicContact CE2-CB 4.32Å; Y65-F76 AromaticContact CE2-CD2 3.36Å; Y65-F76 HydrophobicContact CE2-CD2 3.36Å; Y65-F76 HydrophobicContact CE2-CE2 4.05Å; Y65-F76 HydrophobicContact CE2-CG 4.21Å; Y65-F76 HydrophobicContact CG-CB 3.82Å; Y65-F76 HydrophobicContact CG-CD2 4.38Å; Y65-F76 HydrophobicContact CG-CG 4.49Å; Y65-F76 AromaticContact CZ-CD2 3.64Å; F76-I78 HydrophobicContact CD1-CG2 3.92Å; F76-I78 HydrophobicContact CE1-CG2 3.45Å; F76-I78 VanDerWaalsContact CE1-CG2 3.45Å; F76-I78 HydrophobicContact CZ-CG2 4.09Å
77	D	98	Very high	92.2	Very high	127 Å²	127	88.5 Å²	88.5	68%	0.679	54%	0.536	S	S	*	.			trans	-88	116.2	177.9	-172.9	2.1	0	0	0	110.7	V75 G79	V75-D77 PolarHBondContact O-N 2.59Å; D77-G79 VanDerWaalsContact C-N 3.27Å; D77-G79 WeakPolarHBondContact OD1-CA 3.1Å; D77-G79 PolarHBondContact OD1-N 2.78Å
78	I	95.9	Very high	91.3	Very high	46 Å²	46	96.4 Å²	96.4	24%	0.236	57%	0.568	C	S	.	*			trans	-82.5	-5.8	174.9	65.9	163	0	0	0	112.8	F25 L41 I43 F76	F25-I78 HydrophobicContact CE1-CD1 4.05Å; F25-I78 HydrophobicContact CZ-CD1 3.73Å; F25-I78 HydrophobicContact CZ-CG1 4.16Å; L41-I78 HydrophobicContact CD2-CD1 4.09Å; L41-I78 HydrophobicContact CD2-CG2 4Å; I43-I78 HydrophobicContact CD1-CD1 4.06Å; F76-I78 HydrophobicContact CD1-CG2 3.92Å; F76-I78 HydrophobicContact CE1-CG2 3.45Å; F76-I78 VanDerWaalsContact CE1-CG2 3.45Å; F76-I78 HydrophobicContact CZ-CG2 4.09Å
79	G	96.9	Very high	90.6	Very high	43 Å²	43	95.6 Å²	95.6	44%	0.443	55%	0.552	S	S	.	*			trans	68.6	-149	-174.2	0	0	0	0	0	112.6	D77	D77-G79 VanDerWaalsContact C-N 3.27Å; D77-G79 WeakPolarHBondContact OD1-CA 3.1Å; D77-G79 PolarHBondContact OD1-N 2.78Å
80	T	96.8	Very high	90.2	Very high	153 Å²	153	91.8 Å²	91.8	94%	0.939	52%	0.524	S	S	*	.			trans	-105.3	120.7	176.3	-53.6	0	0	0	0	109.7
81	V	94.3	Very high	89.9	Confident	62 Å²	62	94 Å²	94	38%	0.376	51%	0.508	S	S	.	.			trans	-119.3	136.2	-177.6	-169.4	0	0	0	0	110.9	W57 L83 I85	W57-V81 HydrophobicContact CH2-CG1 3.95Å; W57-V81 HydrophobicContact CZ3-CG1 3.66Å; V81-L83 PolarHBondContact O-N 2.99Å; V81-I85 HydrophobicContact CG1-CD1 4.21Å
82	N	94	Very high	89.4	Confident	94 Å²	94	95.7 Å²	95.7	50%	0.503	51%	0.507	S	S	.	.			trans	-80.6	115.2	171.1	-173.4	-24.4	0	0	0	110	E84 I85	N82-E84 PolarHBondContact O-N 3.44Å; N82-E84 VanDerWaalsContact O-N 3.15Å; N82-E84 VanDerWaalsContact OD1-CB 3.26Å; N82-E84 WeakPolarHBondContact OD1-CB 3.18Å; N82-E84 WeakPolarHBondContact OD1-CG 3.44Å; N82-E84 PolarHBondContact OD1-N 2.89Å; N82-I85 WeakPolarHBondContact O-CD1 3.45Å; N82-I85 VanDerWaalsContact O-CG1 3.26Å; N82-I85 WeakPolarHBondContact O-CG1 3.27Å; N82-I85 PolarHBondContact O-N 2.91Å
83	L	92.9	Very high	88.8	Confident	49 Å²	49	95 Å²	95	26%	0.257	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	2.6	-178.8	-60.4	-178.6	0	0	0	114.2	I43 H45 C47 R55 W57 V81 I85	I43-L83 HydrophobicContact CG2-CD2 4.27Å; H45-L83 HydrophobicContact CB-CD1 3.86Å; H45-L83 PolarHBondContact CE1-O 2.93Å; C47-L83 HydrophobicContact CB-CB 4.14Å; R55-L83 PolarHBondContact NH1-O 3.09Å; R55-L83 VanDerWaalsContact NH1-O 3.08Å; W57-L83 HydrophobicContact CE3-CD2 4.26Å; W57-L83 HydrophobicContact CH2-CD2 3.9Å; W57-L83 HydrophobicContact CZ2-CD2 4.43Å; W57-L83 HydrophobicContact CZ3-CD2 3.79Å; V81-L83 PolarHBondContact O-N 2.99Å; L83-I85 VanDerWaalsContact C-N 3.33Å
84	E	91.3	Very high	88.1	Confident	113 Å²	113	94.2 Å²	94.2	53%	0.528	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-20	169.8	-67	-176	-148.2	0	0	113	L48 N82 N86	L48-E84 HydrophobicContact CD1-CB 3.97Å; L48-E84 HydrophobicContact CD1-CG 4.07Å; L48-E84 HydrophobicContact CG-CG 4.21Å; N82-E84 PolarHBondContact O-N 3.44Å; N82-E84 VanDerWaalsContact O-N 3.15Å; N82-E84 VanDerWaalsContact OD1-CB 3.26Å; N82-E84 WeakPolarHBondContact OD1-CB 3.18Å; N82-E84 WeakPolarHBondContact OD1-CG 3.44Å; N82-E84 PolarHBondContact OD1-N 2.89Å; E84-N86 PolarHBondContact O-N 2.96Å
85	I	88.2	Confident	86.7	Confident	82 Å²	82	95.7 Å²	95.7	42%	0.421	52%	0.518	S	S	.	.			trans	-55.5	132	179.3	-62	168.7	0	0	0	109.3	R55 W57 V81 N82 L83 L87	R55-I85 PolarHBondContact NH2-O 2.83Å; W57-I85 HydrophobicContact CH2-CB 4.22Å; W57-I85 HydrophobicContact CZ2-CB 4.33Å; W57-I85 WeakPolarHBondContact CZ2-O 3.36Å; V81-I85 HydrophobicContact CG1-CD1 4.21Å; N82-I85 WeakPolarHBondContact O-CD1 3.45Å; N82-I85 VanDerWaalsContact O-CG1 3.26Å; N82-I85 WeakPolarHBondContact O-CG1 3.27Å; N82-I85 PolarHBondContact O-N 2.91Å; L83-I85 VanDerWaalsContact C-N 3.33Å; I85-L87 HydrophobicContact CG2-CD2 3.84Å; I85-L87 HydrophobicContact CG2-CG 3.87Å
86	N	78.4	Confident	85	Confident	136 Å²	136	95.4 Å²	95.4	73%	0.727	52%	0.516	S	S	*	.			trans	-99.8	91.2	176.2	-164.8	-13.9	0	0	0	108.7	E84	E84-N86 PolarHBondContact O-N 2.96Å
87	L	76.1	Confident	84.4	Confident	92 Å²	92	97.1 Å²	97.1	48%	0.482	53%	0.528	S	S	.	.			trans	-85.3	162.1	166.9	-59.7	176.7	0	0	0	108.6	I85 E89	I85-L87 HydrophobicContact CG2-CD2 3.84Å; I85-L87 HydrophobicContact CG2-CG 3.87Å; L87-E89 PolarHBondContact O-N 3.4Å
88	E	76	Confident	83.6	Confident	209 Å²	209	95.5 Å²	95.5	98%	0.977	52%	0.52	S	S	*	.	S	Bend	trans	-58.2	106.5	165.6	-71.9	-174.6	177.4	0	0	108.7
89	E	76.4	Confident	83	Confident	57 Å²	57	98.3 Å²	98.3	27%	0.266	54%	0.536	S	S	.	.			trans	-135.7	157.6	-171.6	72.8	-170.3	147.4	0	0	110.2	R55 W57 L87	R55-E89 WeakPolarHBondContact CB-OE2 3.04Å; R55-E89 IonicContact CZ-OE1 3.58Å; R55-E89 IonicContact CZ-OE2 3.03Å; R55-E89 IonicContact NE-OE1 2.71Å; R55-E89 PolarHBondContact NE-OE1 3.19Å; R55-E89 IonicContact NE-OE2 2.67Å; R55-E89 PolarHBondContact NE-OE2 3.16Å; R55-E89 IonicContact NH2-OE1 3.31Å; R55-E89 PolarHBondContact NH2-OE1 2.89Å; R55-E89 IonicContact NH2-OE2 3.09Å; R55-E89 PolarHBondContact NH2-OE2 3.01Å; W57-E89 PolarHBondContact NE1-OE2 3.11Å; L87-E89 PolarHBondContact O-N 3.4Å
90	D	81.3	Confident	82.1	Confident	55 Å²	55	101.5 Å²	101.5	29%	0.294	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	165.9	173.4	77.1	-90.2	0	0	0	112.1	R56	R56-D90 VanDerWaalsContact CZ-CG 3.47Å; R56-D90 IonicContact CZ-OD1 3.21Å; R56-D90 IonicContact CZ-OD2 3Å; R56-D90 PolarHBondContact N-O 2.97Å; R56-D90 IonicContact NE-OD1 2.76Å; R56-D90 PolarHBondContact NE-OD1 3.21Å; R56-D90 IonicContact NE-OD2 2.91Å; R56-D90 PolarHBondContact NE-OD2 3.2Å; R56-D90 IonicContact NH2-OD1 2.84Å; R56-D90 PolarHBondContact NH2-OD1 2.76Å; R56-D90 IonicContact NH2-OD2 2.81Å; R56-D90 PolarHBondContact NH2-OD2 2.65Å
91	K	80.8	Confident	81.2	Confident	137 Å²	137	98.3 Å²	98.3	60%	0.596	52%	0.517	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	121.9	178.4	-65.6	179.4	-177.6	175	0	109.5	C53	C53-K91 HydrophobicContact CB-CB 4.29Å
92	K	81.7	Confident	80.4	Confident	67 Å²	67	100.7 Å²	100.7	29%	0.291	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	114.2	172.8	-169.5	76.6	172.9	-177.6	0	110.5	Y44 C53 K54 R56 V96	Y44-K92 HydrophobicContact CD1-CB 4.1Å; Y44-K92 HydrophobicContact CD1-CG 4.41Å; Y44-K92 HydrophobicContact CE1-CB 3.85Å; Y44-K92 HydrophobicContact CE1-CG 3.85Å; C53-K92 WeakPolarHBondContact CA-O 3.05Å; K54-K92 PolarHBondContact N-O 2.85Å; K54-K92 PolarHBondContact O-N 2.88Å; R56-K92 HydrophobicContact CB-CB 4.49Å; K92-V96 HydrophobicContact CG-CG2 4.32Å
93	C	82.5	Confident	79.4	Confident	82 Å²	82	101.2 Å²	101.2	55%	0.554	53%	0.528	S	S	*	.			trans	-102.7	-7.9	-178.1	-52.8	0	0	0	0	114.5	C53	C53-C93 HydrophobicContact CB-CB 3.92Å; C53-C93 WeakPolarHBondContact CB-SG 3.31Å; C53-C93 WeakPolarHBondContact SG-CB 3.32Å; C53-C93 CovalentContact SG-SG 2.02Å; C53-C93 PolarHBondContact SG-SG 2.8Å
94	L	76.6	Confident	78.3	Confident	124 Å²	124	105.2 Å²	105.2	65%	0.649	55%	0.549	S	S	*	.	S	Bend	trans	-96.1	157.4	178.3	-62.4	177.5	0	0	0	110.6	V96	L94-V96 PolarHBondContact O-N 2.79Å
95	P	68.6	Low	77.3	Confident	126 Å²	126	104.6 Å²	104.6	82%	0.818	55%	0.551	S	S	*	*			trans	-51.6	137.3	171.5	-21.7	32.1	0	0	0	110.6
96	V	60.7	Low	76.3	Confident	88 Å²	88	106.6 Å²	106.6	53%	0.533	56%	0.563	S	S	.	*			trans	-95	0	171.1	-174.8	0	0	0	0	107.6	K16 Y44 K92 L94	K16-V96 PolarHBondContact NZ-O 2.83Å; K16-V96 PolarHBondContact NZ-OXT 3.01Å; Y44-V96 HydrophobicContact CD1-CG2 3.66Å; Y44-V96 HydrophobicContact CD2-CG1 4.05Å; Y44-V96 HydrophobicContact CD2-CG2 4.23Å; Y44-V96 HydrophobicContact CE1-CG1 4.4Å; Y44-V96 HydrophobicContact CE1-CG2 3.57Å; Y44-V96 HydrophobicContact CE2-CG1 3.64Å; Y44-V96 HydrophobicContact CE2-CG2 4.19Å; Y44-V96 HydrophobicContact CG-CG2 3.97Å; K92-V96 HydrophobicContact CG-CG2 4.32Å; L94-V96 PolarHBondContact O-N 2.79Å

Retrieved 96 of 96 residues in 21.9 ms (Link to these results)

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