A0A075B651_MOUSE Loading...

T cell receptor alpha variable 4-4-DV10

AlphaFold DB , UniProt , Accession A0A075B651, Species MOUSE (Mus musculus, Mouse), Gene Trav4-4-dv10, Length 110 aa.

						>A0A075B651_MOUSE|A0A075B651|Trav4-4-dv10
MQRNLGAVLGILWVQICWVRGDQVEQSPSALSLHEGTGSALRCNFTTTMRAVQWFQQNSRGSLINLFYLASGTKENGRLKSTFNSKESYSTLHIRDAQLEDSGTYFCAAE
					

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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	55	Low	73.3	Confident	221 Å²	221	114.9 Å²	114.9	100%	1.089	62%	0.617	S	S	*	*				0	-24.4	0	-152.1	165.6	97.8	0	0	114.3	R3	M1-R3 PolarHBondContact O-N 3Å
2	Q	60.5	Low	73.6	Confident	179 Å²	179	113.6 Å²	113.6	84%	0.836	61%	0.609	S	S	*	*	H	α-helix	trans	-66.1	-32.6	-178.4	-72.6	-178.3	-40.6	0	0	115.6	N4 L5 G6	Q2-N4 VanDerWaalsContact C-N 3.31Å; Q2-N4 PolarHBondContact O-N 2.98Å; Q2-L5 PolarHBondContact O-N 3.02Å; Q2-G6 PolarHBondContact O-N 3.17Å
3	R	62.8	Low	73.9	Confident	222 Å²	222	118.5 Å²	118.5	84%	0.838	61%	0.614	S	S	*	*	H	α-helix	trans	-61.7	-36.2	-177.9	-168.6	173.2	67	-156.5	2.2	113.4	M1 A7	M1-R3 PolarHBondContact O-N 3Å; R3-A7 PolarHBondContact O-N 2.89Å
4	N	74.2	Confident	74.2	Confident	112 Å²	112	115.6 Å²	115.6	60%	0.599	60%	0.604	S	S	*	*	H	α-helix	trans	-73.4	-33.6	179.5	-67	5.9	0	0	0	111.3	Q2 A7 V8	Q2-N4 VanDerWaalsContact C-N 3.31Å; Q2-N4 PolarHBondContact O-N 2.98Å; N4-A7 PolarHBondContact O-N 3.19Å; N4-V8 VanDerWaalsContact O-CG2 3.26Å; N4-V8 WeakPolarHBondContact O-CG2 3.24Å; N4-V8 PolarHBondContact O-N 3.45Å
5	L	73.3	Confident	74.2	Confident	109 Å²	109	115.7 Å²	115.7	57%	0.571	60%	0.6	S	S	*	*	H	α-helix	trans	-66.3	-41.1	178.5	-174.4	62.1	0	0	0	111.8	Q2 A7 V8 L9	Q2-L5 PolarHBondContact O-N 3.02Å; L5-A7 PolarHBondContact O-N 3.43Å; L5-V8 PolarHBondContact O-N 3.36Å; L5-L9 HydrophobicContact CD1-CD1 4.45Å; L5-L9 HydrophobicContact CD1-CG 4.47Å; L5-L9 HydrophobicContact CG-CD1 4.04Å; L5-L9 WeakPolarHBondContact O-CB 3.23Å; L5-L9 VanDerWaalsContact O-CG 3.28Å; L5-L9 WeakPolarHBondContact O-CG 3.38Å; L5-L9 PolarHBondContact O-N 2.94Å
6	G	77.3	Confident	73.9	Confident	47 Å²	47	115.4 Å²	115.4	49%	0.485	60%	0.598	S	S	.	*	H	α-helix	trans	-63.1	-40.1	176.5	0	0	0	0	0	113.3	Q2 G10	Q2-G6 PolarHBondContact O-N 3.17Å; G6-G10 PolarHBondContact O-N 3.44Å
7	A	80.9	Confident	73.9	Confident	56 Å²	56	114.8 Å²	114.8	46%	0.463	61%	0.605	S	S	.	*	H	α-helix	trans	-66.9	-43.5	175.7	0	0	0	0	0	112	R3 N4 L5 G10 I11	R3-A7 PolarHBondContact O-N 2.89Å; N4-A7 PolarHBondContact O-N 3.19Å; L5-A7 PolarHBondContact O-N 3.43Å; A7-G10 PolarHBondContact O-N 3.5Å; A7-I11 WeakPolarHBondContact O-CD1 3.35Å; A7-I11 VanDerWaalsContact O-CG1 3.25Å; A7-I11 WeakPolarHBondContact O-CG1 3.45Å; A7-I11 PolarHBondContact O-N 3.3Å
8	V	80.9	Confident	73.9	Confident	91 Å²	91	118.4 Å²	118.4	55%	0.552	61%	0.609	S	S	*	*	H	α-helix	trans	-63.2	-44.5	177.1	172	0	0	0	0	111.1	N4 L5 I11 L12	N4-V8 VanDerWaalsContact O-CG2 3.26Å; N4-V8 WeakPolarHBondContact O-CG2 3.24Å; N4-V8 PolarHBondContact O-N 3.45Å; L5-V8 PolarHBondContact O-N 3.36Å; V8-I11 PolarHBondContact O-N 2.91Å; V8-L12 WeakPolarHBondContact O-CB 3.28Å; V8-L12 PolarHBondContact O-N 3.46Å
9	L	80.5	Confident	74	Confident	81 Å²	81	118.8 Å²	118.8	42%	0.424	62%	0.617	S	S	.	*	H	α-helix	trans	-59	-50.2	173.9	-73.4	166.7	0	0	0	110.3	L5 I11 L12 W13	L5-L9 HydrophobicContact CD1-CD1 4.45Å; L5-L9 HydrophobicContact CD1-CG 4.47Å; L5-L9 HydrophobicContact CG-CD1 4.04Å; L5-L9 WeakPolarHBondContact O-CB 3.23Å; L5-L9 VanDerWaalsContact O-CG 3.28Å; L5-L9 WeakPolarHBondContact O-CG 3.38Å; L5-L9 PolarHBondContact O-N 2.94Å; L9-I11 VanDerWaalsContact C-N 3.34Å; L9-I11 PolarHBondContact O-N 3.38Å; L9-L12 WeakPolarHBondContact O-CB 3.41Å; L9-L12 PolarHBondContact O-N 3.2Å; L9-L12 VanDerWaalsContact O-N 3.11Å; L9-W13 PolarHBondContact O-N 3.29Å
10	G	81.1	Confident	74.2	Confident	36 Å²	36	124.4 Å²	124.4	37%	0.371	63%	0.63	S	S	.	*	H	α-helix	trans	-56.4	-44.3	178.6	0	0	0	0	0	113.5	G6 A7 W13 V14	G6-G10 PolarHBondContact O-N 3.44Å; A7-G10 PolarHBondContact O-N 3.5Å; G10-W13 PolarHBondContact O-N 2.61Å; G10-V14 VanDerWaalsContact O-CG2 3.31Å; G10-V14 WeakPolarHBondContact O-CG2 3.37Å; G10-V14 PolarHBondContact O-N 3.46Å
11	I	79.7	Confident	74.5	Confident	110 Å²	110	121.8 Å²	121.8	56%	0.564	63%	0.634	S	S	*	*	H	α-helix	trans	-63.9	-43.4	175.9	-66.5	162.3	0	0	0	110.7	A7 V8 L9 W13 V14 Q15	A7-I11 WeakPolarHBondContact O-CD1 3.35Å; A7-I11 VanDerWaalsContact O-CG1 3.25Å; A7-I11 WeakPolarHBondContact O-CG1 3.45Å; A7-I11 PolarHBondContact O-N 3.3Å; V8-I11 PolarHBondContact O-N 2.91Å; L9-I11 VanDerWaalsContact C-N 3.34Å; L9-I11 PolarHBondContact O-N 3.38Å; I11-W13 PolarHBondContact O-N 3.1Å; I11-V14 PolarHBondContact O-N 3.05Å; I11-Q15 HydrophobicContact CG2-CG 4.42Å; I11-Q15 WeakPolarHBondContact O-CG 3.42Å; I11-Q15 PolarHBondContact O-N 3.47Å
12	L	77.5	Confident	75.9	Confident	99 Å²	99	116 Å²	116	52%	0.518	61%	0.608	S	S	.	*	H	α-helix	trans	-61.9	-43.2	178.3	-170	72.1	0	0	0	111.7	V8 L9 V14 Q15 I16	V8-L12 WeakPolarHBondContact O-CB 3.28Å; V8-L12 PolarHBondContact O-N 3.46Å; L9-L12 WeakPolarHBondContact O-CB 3.41Å; L9-L12 PolarHBondContact O-N 3.2Å; L9-L12 VanDerWaalsContact O-N 3.11Å; L12-V14 PolarHBondContact O-N 3.23Å; L12-Q15 PolarHBondContact O-N 3.33Å; L12-I16 HydrophobicContact CG-CD1 4.18Å; L12-I16 WeakPolarHBondContact O-CG1 3.2Å; L12-I16 PolarHBondContact O-N 3.1Å; L12-I16 VanDerWaalsContact O-N 3.08Å
13	W	76.5	Confident	77.4	Confident	177 Å²	177	113.3 Å²	113.3	67%	0.67	60%	0.595	S	S	*	*	H	α-helix	trans	-60.5	-42.7	174.5	-78.5	104.1	0	0	0	112.1	L9 G10 I11 I16 C17	L9-W13 PolarHBondContact O-N 3.29Å; G10-W13 PolarHBondContact O-N 2.61Å; I11-W13 PolarHBondContact O-N 3.1Å; W13-I16 PolarHBondContact O-N 2.91Å; W13-C17 PolarHBondContact O-N 3.39Å; W13-C17 PolarHBondContact O-SG 3.27Å; W13-C17 VanDerWaalsContact O-SG 3.41Å
14	V	78.5	Confident	78.9	Confident	78 Å²	78	105.5 Å²	105.5	47%	0.473	57%	0.572	S	S	.	*	H	α-helix	trans	-64.5	-40.2	177.5	171.5	0	0	0	0	111.7	G10 I11 L12 C17 W18	G10-V14 VanDerWaalsContact O-CG2 3.31Å; G10-V14 WeakPolarHBondContact O-CG2 3.37Å; G10-V14 PolarHBondContact O-N 3.46Å; I11-V14 PolarHBondContact O-N 3.05Å; L12-V14 PolarHBondContact O-N 3.23Å; V14-C17 PolarHBondContact O-N 3.25Å; V14-W18 HydrophobicContact CG1-CE3 4.08Å; V14-W18 HydrophobicContact CG1-CZ3 3.81Å
15	Q	73.9	Confident	80	Confident	117 Å²	117	105.7 Å²	105.7	55%	0.547	57%	0.569	S	S	.	*	H	α-helix	trans	-66.4	-40.6	178.7	-69.7	-68.8	-70.5	0	0	112.3	I11 L12 C17 W18	I11-Q15 HydrophobicContact CG2-CG 4.42Å; I11-Q15 WeakPolarHBondContact O-CG 3.42Å; I11-Q15 PolarHBondContact O-N 3.47Å; L12-Q15 PolarHBondContact O-N 3.33Å; Q15-C17 VanDerWaalsContact C-N 3.27Å; Q15-C17 PolarHBondContact O-N 3.41Å; Q15-W18 PolarHBondContact O-N 2.82Å; Q15-W18 VanDerWaalsContact O-N 3.16Å
16	I	70.5	Confident	81.1	Confident	111 Å²	111	103.4 Å²	103.4	57%	0.569	56%	0.556	S	S	*	*	H	α-helix	trans	-63.6	-34.8	178.7	-67	164.9	0	0	0	111.2	L12 W13 W18	L12-I16 HydrophobicContact CG-CD1 4.18Å; L12-I16 WeakPolarHBondContact O-CG1 3.2Å; L12-I16 PolarHBondContact O-N 3.1Å; L12-I16 VanDerWaalsContact O-N 3.08Å; W13-I16 PolarHBondContact O-N 2.91Å; I16-W18 PolarHBondContact O-N 3.1Å
17	C	73.2	Confident	82.1	Confident	106 Å²	106	103.3 Å²	103.3	72%	0.716	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-10.6	177.9	-71.2	0	0	0	0	114.6	W13 V14 Q15	W13-C17 PolarHBondContact O-N 3.39Å; W13-C17 PolarHBondContact O-SG 3.27Å; W13-C17 VanDerWaalsContact O-SG 3.41Å; V14-C17 PolarHBondContact O-N 3.25Å; Q15-C17 VanDerWaalsContact C-N 3.27Å; Q15-C17 PolarHBondContact O-N 3.41Å
18	W	74.6	Confident	82.9	Confident	180 Å²	180	103.3 Å²	103.3	68%	0.682	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	1.9	-174.3	-104.4	-37.2	0	0	0	116	V14 Q15 I16 R20	V14-W18 HydrophobicContact CG1-CE3 4.08Å; V14-W18 HydrophobicContact CG1-CZ3 3.81Å; Q15-W18 PolarHBondContact O-N 2.82Å; Q15-W18 VanDerWaalsContact O-N 3.16Å; I16-W18 PolarHBondContact O-N 3.1Å; W18-R20 PolarHBondContact O-N 2.82Å; W18-R20 VanDerWaalsContact O-N 3.13Å
19	V	74.4	Confident	83.7	Confident	126 Å²	126	105 Å²	105	76%	0.764	56%	0.559	S	S	*	*			trans	-74.7	108.1	174	-174.3	0	0	0	0	109.1
20	R	78.7	Confident	84.4	Confident	230 Å²	230	105 Å²	105	87%	0.868	57%	0.571	S	S	*	*			trans	-108	120.9	166.7	-68	-175.4	179.5	-178	-0.5	108.1	W18	W18-R20 PolarHBondContact O-N 2.82Å; W18-R20 VanDerWaalsContact O-N 3.13Å
21	G	80.3	Confident	85.1	Confident	70 Å²	70	107.1 Å²	107.1	72%	0.722	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-84.5	154	166.3	0	0	0	0	0	110.4
22	D	85.8	Confident	85.9	Confident	100 Å²	100	107.4 Å²	107.4	54%	0.535	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-65	143.9	164.5	-69.3	-66	0	0	0	110	T47 M49	D22-T47 PolarHBondContact OD1-OG1 2.93Å; D22-M49 HydrophobicContact CB-CE 3.58Å
23	Q	90.7	Very high	86.7	Confident	122 Å²	122	105.7 Å²	105.7	57%	0.57	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-89	131.6	-177.4	176.2	179.1	-19.6	0	0	110.3	T46	Q23-T46 HydrophobicContact CB-CG2 3.69Å; Q23-T46 HydrophobicContact CG-CG2 4.23Å; Q23-T46 PolarHBondContact N-OG1 3.41Å; Q23-T46 PolarHBondContact O-N 3.36Å; Q23-T46 PolarHBondContact O-OG1 2.92Å
24	V	94.6	Very high	87.6	Confident	58 Å²	58	104.5 Å²	104.5	35%	0.352	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.8	128	176.9	-175.4	0	0	0	0	108.7	C43 N44 F45 C107	V24-C43 WeakPolarHBondContact CG1-SG 3.35Å; V24-N44 WeakPolarHBondContact CA-O 3.44Å; V24-F45 HydrophobicContact CG1-CD1 4.03Å; V24-F45 HydrophobicContact CG1-CE1 3.98Å; V24-F45 HydrophobicContact CG2-CD1 4.06Å; V24-C107 VanDerWaalsContact CG1-SG 3.53Å
25	E	96.7	Very high	88.5	Confident	116 Å²	116	106.4 Å²	106.4	54%	0.542	58%	0.581	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.8	122.5	179.8	-172	-179.3	165.1	0	0	110.9	C43 N44	E25-C43 CarbonylContact O-C 3.53Å; E25-C43 WeakPolarHBondContact O-CA 3.47Å; E25-N44 PolarHBondContact N-O 2.94Å; E25-N44 PolarHBondContact O-N 3.32Å
26	Q	97.9	Very high	89.7	Confident	61 Å²	61	103 Å²	103	29%	0.285	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.9	136.9	177	-75.9	-174.9	-120.5	0	0	112	R42 C43 Y105 C107	Q26-R42 CarbonylContact C-O 3.56Å; Q26-R42 VanDerWaalsContact CA-O 3.31Å; Q26-R42 WeakPolarHBondContact CA-O 3.21Å; Q26-C43 HydrophobicContact CG-CB 4.37Å; Q26-Y105 PolarHBondContact NE2-O 3.41Å; Q26-C107 HydrophobicContact CG-CB 4.44Å; Q26-C107 WeakPolarHBondContact CG-SG 3.18Å; Q26-C107 PolarHBondContact OE1-SG 3.37Å; Q26-C107 VanDerWaalsContact OE1-SG 3.36Å
27	S	98.1	Very high	91	Very high	44 Å²	44	100.4 Å²	100.4	31%	0.308	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-142.7	146.8	178.4	59.1	0	0	0	0	112.2	R42	S27-R42 PolarHBondContact N-O 3.42Å; S27-R42 PolarHBondContact O-N 3.31Å
28	P	97.9	Very high	92.2	Very high	56 Å²	56	97.4 Å²	97.4	36%	0.364	55%	0.554	S	S	.	*	S	Bend	cis	-64.1	160.1	-17.1	32.1	-37.3	0	0	0	111.4	A30 L31	P28-A30 VanDerWaalsContact C-N 3.32Å; P28-L31 HydrophobicContact CG-CB 4.26Å; P28-L31 HydrophobicContact CG-CD1 4.36Å
29	S	96.2	Very high	93.3	Very high	128 Å²	128	90.2 Å²	90.2	90%	0.895	53%	0.531	S	S	*	.	S	Bend	trans	-71.6	-28.3	178.1	54.4	0	0	0	0	113.1
30	A	96.3	Very high	94.4	Very high	81 Å²	81	86 Å²	86	67%	0.669	51%	0.509	S	S	*	.	S	Bend	trans	-145	149.2	174.6	0	0	0	0	0	109.4	P28	P28-A30 VanDerWaalsContact C-N 3.32Å
31	L	94.8	Very high	95.3	Very high	80 Å²	80	76 Å²	76	42%	0.419	47%	0.473	S	S	.	.			trans	-143.4	137.8	-177.4	-179.2	70.3	0	0	0	109	P28 L33 S39	P28-L31 HydrophobicContact CG-CB 4.26Å; P28-L31 HydrophobicContact CG-CD1 4.36Å; L31-L33 HydrophobicContact CD1-CD2 3.93Å; L31-L33 HydrophobicContact CD1-CG 4.47Å; L31-L33 HydrophobicContact CD2-CD1 3.74Å; L31-L33 HydrophobicContact CD2-CD2 3.87Å; L31-L33 HydrophobicContact CD2-CG 3.78Å; L31-L33 HydrophobicContact CG-CD1 4.35Å; L31-L33 HydrophobicContact CG-CD2 3.84Å; L31-L33 HydrophobicContact CG-CG 3.83Å; L31-S39 WeakPolarHBondContact CD2-OG 3.37Å
32	S	96.2	Very high	96.2	Very high	116 Å²	116	77.5 Å²	77.5	81%	0.811	46%	0.457	S	S	*	.			trans	-119.1	128.5	170.5	-175.4	0	0	0	0	108.1
33	L	94.1	Very high	96.8	Very high	62 Å²	62	72.8 Å²	72.8	33%	0.325	43%	0.432	S	S	.	.			trans	-127	149	-176.5	-61.9	177.9	0	0	0	110.1	L31 A97	L31-L33 HydrophobicContact CD1-CD2 3.93Å; L31-L33 HydrophobicContact CD1-CG 4.47Å; L31-L33 HydrophobicContact CD2-CD1 3.74Å; L31-L33 HydrophobicContact CD2-CD2 3.87Å; L31-L33 HydrophobicContact CD2-CG 3.78Å; L31-L33 HydrophobicContact CG-CD1 4.35Å; L31-L33 HydrophobicContact CG-CD2 3.84Å; L31-L33 HydrophobicContact CG-CG 3.83Å; L33-A97 HydrophobicContact CB-CB 4.42Å; L33-A97 HydrophobicContact CD1-CB 4.14Å
34	H	97.2	Very high	97.1	Very high	152 Å²	152	69.1 Å²	69.1	70%	0.704	42%	0.416	S	S	*	.			trans	-84.9	145.7	164.5	-65.9	-56.6	0	0	0	109.7	T37	H34-T37 HydrophobicContact CB-CG2 3.94Å; H34-T37 PolarHBondContact N-OG1 3.18Å; H34-T37 WeakPolarHBondContact O-CB 3.35Å; H34-T37 PolarHBondContact O-N 3.45Å; H34-T37 VanDerWaalsContact O-N 3.1Å; H34-T37 PolarHBondContact O-OG1 3.08Å
35	E	97.4	Very high	97.1	Very high	118 Å²	118	67 Å²	67	55%	0.551	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	143.3	172.6	-72.9	176.6	-136.1	0	0	111	T37 A97 L99	E35-T37 PolarHBondContact O-N 3.49Å; E35-A97 CarbonylContact C-O 3.54Å; E35-A97 WeakPolarHBondContact CA-O 3.46Å; E35-L99 WeakPolarHBondContact OE1-CD2 3.33Å; E35-L99 VanDerWaalsContact OE1-CG 3.24Å; E35-L99 WeakPolarHBondContact OE1-CG 3.31Å
36	G	97.9	Very high	96.9	Very high	47 Å²	47	65.5 Å²	65.5	49%	0.485	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	-9.8	-175.8	0	0	0	0	0	115.5	D96 A97	G36-D96 WeakPolarHBondContact CA-OD1 3.36Å; G36-A97 PolarHBondContact N-O 3.25Å
37	T	98.1	Very high	96.6	Very high	56 Å²	56	65.3 Å²	65.3	34%	0.344	40%	0.404	S	S	.	.			trans	-87.4	170	175.9	69.7	0	0	0	0	112.2	H34 E35 D96 A97	H34-T37 HydrophobicContact CB-CG2 3.94Å; H34-T37 PolarHBondContact N-OG1 3.18Å; H34-T37 WeakPolarHBondContact O-CB 3.35Å; H34-T37 PolarHBondContact O-N 3.45Å; H34-T37 VanDerWaalsContact O-N 3.1Å; H34-T37 PolarHBondContact O-OG1 3.08Å; E35-T37 PolarHBondContact O-N 3.49Å; T37-D96 PolarHBondContact O-N 3.06Å; T37-A97 WeakPolarHBondContact O-CB 3.32Å; T37-A97 PolarHBondContact O-N 3.16Å
38	G	97.4	Very high	96.3	Very high	43 Å²	43	68 Å²	68	44%	0.443	42%	0.418	S	S	.	.			trans	-129.5	153.1	177.5	0	0	0	0	0	112.5	I94	G38-I94 CarbonylContact C-O 3.49Å; G38-I94 WeakPolarHBondContact CA-O 3.37Å
39	S	97.7	Very high	96.2	Very high	29 Å²	29	65.5 Å²	65.5	20%	0.203	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	175.4	177.8	-169.5	0	0	0	0	111.5	L31 H93 I94	L31-S39 WeakPolarHBondContact CD2-OG 3.37Å; S39-H93 WeakPolarHBondContact O-CA 3.46Å; S39-H93 PolarHBondContact O-ND1 3.02Å; S39-I94 PolarHBondContact N-O 3.49Å; S39-I94 PolarHBondContact O-N 2.9Å
40	A	98.1	Very high	96.1	Very high	37 Å²	37	69.1 Å²	69.1	31%	0.306	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	140.8	-178.6	0	0	0	0	0	112.1	L92 H93	A40-L92 CarbonylContact C-O 3.53Å; A40-L92 VanDerWaalsContact CA-O 3.28Å; A40-L92 WeakPolarHBondContact CA-O 3.25Å; A40-H93 WeakPolarHBondContact CB-ND1 3.33Å
41	L	98.4	Very high	96.2	Very high	21 Å²	21	65.4 Å²	65.4	11%	0.11	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	143.2	158.7	-61.7	169.6	0	0	0	108.4	W54 T91 L92 Y105	L41-W54 HydrophobicContact CB-CH2 3.85Å; L41-W54 HydrophobicContact CB-CZ3 4Å; L41-W54 HydrophobicContact CD1-CZ3 4.29Å; L41-T91 CarbonylContact O-C 3.53Å; L41-T91 WeakPolarHBondContact O-CA 3.26Å; L41-L92 HydrophobicContact CB-CB 4.43Å; L41-L92 HydrophobicContact CD1-CD2 4.4Å; L41-L92 PolarHBondContact N-O 3.3Å; L41-L92 PolarHBondContact O-N 3.43Å; L41-Y105 VanDerWaalsContact CD1-CB 3.41Å; L41-Y105 HydrophobicContact CD1-CD1 4.39Å; L41-Y105 HydrophobicContact CD1-CD2 4.06Å; L41-Y105 HydrophobicContact CD1-CG 3.72Å
42	R	98.5	Very high	96.3	Very high	101 Å²	101	61.6 Å²	61.6	38%	0.381	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	134.3	175.7	-176.4	174	179.9	140.3	3.7	109.5	Q26 S27 N44 Y89 S90 T91	Q26-R42 CarbonylContact C-O 3.56Å; Q26-R42 VanDerWaalsContact CA-O 3.31Å; Q26-R42 WeakPolarHBondContact CA-O 3.21Å; S27-R42 PolarHBondContact N-O 3.42Å; S27-R42 PolarHBondContact O-N 3.31Å; R42-N44 PolarHBondContact NE-OD1 3.11Å; R42-Y89 VanDerWaalsContact NH2-CD1 3.33Å; R42-S90 WeakPolarHBondContact CA-O 3.44Å; R42-T91 HydrophobicContact CB-CG2 4.31Å; R42-T91 HydrophobicContact CG-CG2 4.22Å
43	C	98.1	Very high	96.4	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	114.7	176.8	-176.9	0	0	0	0	107.7	V24 E25 Q26 F45 W54 Y89 S90 C107	V24-C43 WeakPolarHBondContact CG1-SG 3.35Å; E25-C43 CarbonylContact O-C 3.53Å; E25-C43 WeakPolarHBondContact O-CA 3.47Å; Q26-C43 HydrophobicContact CG-CB 4.37Å; C43-F45 HydrophobicContact CB-CE1 4.4Å; C43-F45 HydrophobicContact CB-CZ 4.34Å; C43-F45 WeakPolarHBondContact SG-CE1 3.48Å; C43-W54 HydrophobicContact CB-CH2 3.74Å; C43-W54 HydrophobicContact CB-CZ2 3.58Å; C43-Y89 CarbonylContact O-C 3.57Å; C43-Y89 WeakPolarHBondContact O-CA 3.39Å; C43-Y89 WeakPolarHBondContact O-CB 3.49Å; C43-S90 PolarHBondContact N-O 3.3Å; C43-S90 PolarHBondContact O-N 2.77Å; C43-C107 HydrophobicContact CB-CB 3.56Å; C43-C107 WeakPolarHBondContact CB-SG 3.46Å; C43-C107 WeakPolarHBondContact SG-CB 3.35Å; C43-C107 CovalentContact SG-SG 2.02Å; C43-C107 PolarHBondContact SG-SG 3.32Å
44	N	97.6	Very high	96.6	Very high	45 Å²	45	55.4 Å²	55.4	24%	0.241	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	147.7	178.3	-59.4	-70.5	0	0	0	110.1	V24 E25 R42 Y89	V24-N44 WeakPolarHBondContact CA-O 3.44Å; E25-N44 PolarHBondContact N-O 2.94Å; E25-N44 PolarHBondContact O-N 3.32Å; R42-N44 PolarHBondContact NE-OD1 3.11Å; N44-Y89 WeakPolarHBondContact OD1-CB 3.49Å
45	F	95.4	Very high	96.6	Very high	15 Å²	15	49.8 Å²	49.8	7%	0.066	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	149.2	-179.2	-42.1	-62.3	0	0	0	109.8	V24 C43 T47 M49 V52 F83 S88 A109	V24-F45 HydrophobicContact CG1-CD1 4.03Å; V24-F45 HydrophobicContact CG1-CE1 3.98Å; V24-F45 HydrophobicContact CG2-CD1 4.06Å; C43-F45 HydrophobicContact CB-CE1 4.4Å; C43-F45 HydrophobicContact CB-CZ 4.34Å; C43-F45 WeakPolarHBondContact SG-CE1 3.48Å; F45-T47 VanDerWaalsContact C-N 3.34Å; F45-T47 WeakPolarHBondContact CB-O 3.33Å; F45-M49 HydrophobicContact CB-CE 3.93Å; F45-M49 HydrophobicContact CB-CG 3.83Å; F45-M49 HydrophobicContact CD1-CE 4.49Å; F45-M49 HydrophobicContact CD1-CG 4.04Å; F45-M49 HydrophobicContact CD2-CB 4.27Å; F45-M49 HydrophobicContact CD2-CG 3.73Å; F45-M49 HydrophobicContact CE2-CG 4.35Å; F45-M49 HydrophobicContact CG-CE 4.38Å; F45-M49 HydrophobicContact CG-CG 3.58Å; F45-V52 HydrophobicContact CZ-CB 4.27Å; F45-V52 HydrophobicContact CZ-CG2 3.82Å; F45-F83 HydrophobicContact CD2-CE2 4.44Å; F45-F83 HydrophobicContact CE2-CD2 4.22Å; F45-F83 AromaticContact CE2-CE2 3.79Å; F45-F83 HydrophobicContact CE2-CE2 3.79Å; F45-S88 WeakPolarHBondContact CD2-O 3.4Å; F45-S88 PolarHBondContact N-O 2.94Å; F45-S88 WeakPolarHBondContact O-CB 3.43Å; F45-A109 HydrophobicContact CD1-CB 3.68Å; F45-A109 HydrophobicContact CE1-CB 3.21Å; F45-A109 HydrophobicContact CE2-CB 4.3Å; F45-A109 HydrophobicContact CG-CB 4.37Å; F45-A109 HydrophobicContact CZ-CB 3.59Å
46	T	92	Very high	96.6	Very high	84 Å²	84	45.7 Å²	45.7	52%	0.515	26%	0.257	S	S	.	.	S	Bend	trans	-78.4	-20	173.9	47.2	0	0	0	0	113.9	Q23	Q23-T46 HydrophobicContact CB-CG2 3.69Å; Q23-T46 HydrophobicContact CG-CG2 4.23Å; Q23-T46 PolarHBondContact N-OG1 3.41Å; Q23-T46 PolarHBondContact O-N 3.36Å; Q23-T46 PolarHBondContact O-OG1 2.92Å
47	T	91.6	Very high	96.5	Very high	56 Å²	56	46.5 Å²	46.5	34%	0.344	25%	0.248	S	C	.	.	S	Bend	trans	-135.3	162.4	-174.6	55	0	0	0	0	110.4	D22 F45 M49 S88	D22-T47 PolarHBondContact OD1-OG1 2.93Å; F45-T47 VanDerWaalsContact C-N 3.34Å; F45-T47 WeakPolarHBondContact CB-O 3.33Å; T47-M49 PolarHBondContact O-N 3.3Å; T47-M49 VanDerWaalsContact OG1-CE 3.32Å; T47-M49 WeakPolarHBondContact OG1-CE 3.29Å; T47-S88 PolarHBondContact O-OG 3.26Å
48	T	92.1	Very high	96	Very high	100 Å²	100	46.2 Å²	46.2	61%	0.613	24%	0.244	S	C	*	.			trans	-65.3	114.4	176.3	-55.1	0	0	0	0	110.4	S85	T48-S85 WeakPolarHBondContact CG2-OG 3.31Å
49	M	94	Very high	95.4	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.02	27%	0.266	C	S	.	.			trans	-90.7	150.7	176.1	-59.8	-64.2	170.6	0	0	111	D22 F45 T47 F83 S85 A109 E110	D22-M49 HydrophobicContact CB-CE 3.58Å; F45-M49 HydrophobicContact CB-CE 3.93Å; F45-M49 HydrophobicContact CB-CG 3.83Å; F45-M49 HydrophobicContact CD1-CE 4.49Å; F45-M49 HydrophobicContact CD1-CG 4.04Å; F45-M49 HydrophobicContact CD2-CB 4.27Å; F45-M49 HydrophobicContact CD2-CG 3.73Å; F45-M49 HydrophobicContact CE2-CG 4.35Å; F45-M49 HydrophobicContact CG-CE 4.38Å; F45-M49 HydrophobicContact CG-CG 3.58Å; T47-M49 PolarHBondContact O-N 3.3Å; T47-M49 VanDerWaalsContact OG1-CE 3.32Å; T47-M49 WeakPolarHBondContact OG1-CE 3.29Å; M49-F83 HydrophobicContact CB-CE2 4.25Å; M49-F83 HydrophobicContact CB-CZ 3.93Å; M49-F83 WeakPolarHBondContact O-CZ 3.34Å; M49-S85 WeakPolarHBondContact O-CB 3.42Å; M49-S85 PolarHBondContact O-OG 2.91Å; M49-A109 HydrophobicContact CB-CB 3.94Å; M49-A109 HydrophobicContact CG-CB 3.56Å; M49-A109 HydrophobicContact SD-CB 3.96Å; M49-E110 CarbonylContact C-O 3.54Å
50	R	95.7	Very high	94.9	Very high	204 Å²	204	59.9 Å²	59.9	77%	0.77	30%	0.298	S	S	*	.	S	Bend	trans	-87.5	-33.7	174.2	-64.3	178.2	178.2	171.4	2	112.1	A70 E110	R50-A70 WeakPolarHBondContact O-CA 3.49Å; R50-E110 CarbonylContact C-O 3.57Å; R50-E110 WeakPolarHBondContact CA-O 3.21Å; R50-E110 WeakPolarHBondContact CB-O 3.43Å; R50-E110 PolarHBondContact N-O 3.04Å
51	A	97.1	Very high	94.5	Very high	3 Å²	3	60 Å²	60	3%	0.025	30%	0.303	C	S	.	.			trans	-148.3	161.2	177.7	0	0	0	0	0	112.2	Y68 L69 A109 E110	A51-Y68 HydrophobicContact CB-CE1 4.15Å; A51-Y68 HydrophobicContact CB-CE2 3.99Å; A51-Y68 WeakPolarHBondContact CB-OH 3.18Å; A51-L69 CarbonylContact C-O 3.54Å; A51-L69 WeakPolarHBondContact CA-O 3.47Å; A51-A109 VanDerWaalsContact O-CA 3.27Å; A51-A109 WeakPolarHBondContact O-CA 3.17Å; A51-A109 WeakPolarHBondContact O-CB 3.36Å; A51-E110 HydrophobicContact CB-CG 4.09Å; A51-E110 PolarHBondContact N-O 3.3Å; A51-E110 PolarHBondContact O-N 2.66Å; A51-E110 VanDerWaalsContact O-N 3.09Å
52	V	98	Very high	94.3	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	146.2	171.7	66.5	0	0	0	0	110.4	F45 Y68 L69 F83 S90 A108 A109	F45-V52 HydrophobicContact CZ-CB 4.27Å; F45-V52 HydrophobicContact CZ-CG2 3.82Å; V52-Y68 WeakPolarHBondContact O-CA 3.33Å; V52-L69 HydrophobicContact CG1-CB 4Å; V52-L69 HydrophobicContact CG1-CD1 3.91Å; V52-L69 PolarHBondContact N-O 2.88Å; V52-L69 PolarHBondContact O-N 3.13Å; V52-F83 HydrophobicContact CB-CD2 4.13Å; V52-F83 HydrophobicContact CB-CE2 4.4Å; V52-F83 HydrophobicContact CB-CG 4.32Å; V52-F83 HydrophobicContact CG1-CB 3.62Å; V52-F83 HydrophobicContact CG1-CD1 4.11Å; V52-F83 HydrophobicContact CG1-CD2 3.74Å; V52-F83 HydrophobicContact CG1-CE2 4.46Å; V52-F83 HydrophobicContact CG1-CG 3.55Å; V52-S90 WeakPolarHBondContact CG1-OG 3.41Å; V52-A108 CarbonylContact C-O 3.5Å; V52-A108 WeakPolarHBondContact CA-O 3.29Å; V52-A108 WeakPolarHBondContact CG2-O 3.25Å; V52-A109 HydrophobicContact CB-CB 4.47Å; V52-A109 HydrophobicContact CG2-CB 4.44Å
53	Q	98	Very high	94.1	Very high	49 Å²	49	61.6 Å²	61.6	23%	0.229	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	139	172.6	-65.6	-176.1	-97	0	0	110.9	F55 N65 F67 Y68 C107 A108	Q53-F55 HydrophobicContact CB-CD2 4.36Å; Q53-F55 HydrophobicContact CB-CE2 3.47Å; Q53-F55 VanDerWaalsContact CB-CE2 3.47Å; Q53-F55 HydrophobicContact CB-CZ 3.69Å; Q53-F55 HydrophobicContact CG-CZ 4.4Å; Q53-N65 PolarHBondContact NE2-ND2 3.36Å; Q53-F67 VanDerWaalsContact CA-O 3.25Å; Q53-F67 WeakPolarHBondContact CA-O 3.28Å; Q53-Y68 HydrophobicContact CG-CD2 3.43Å; Q53-Y68 VanDerWaalsContact CG-CD2 3.43Å; Q53-Y68 HydrophobicContact CG-CE2 4.08Å; Q53-Y68 HydrophobicContact CG-CG 4.32Å; Q53-C107 CarbonylContact O-C 3.6Å; Q53-C107 VanDerWaalsContact O-CA 3.27Å; Q53-C107 WeakPolarHBondContact O-CA 3.37Å; Q53-A108 PolarHBondContact N-O 2.66Å; Q53-A108 PolarHBondContact O-N 2.83Å
54	W	98.5	Very high	94	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	135.8	171.3	-76.6	96.5	0	0	0	110.1	L41 C43 L66 F67 S81 S90 L92 F106 C107	L41-W54 HydrophobicContact CB-CH2 3.85Å; L41-W54 HydrophobicContact CB-CZ3 4Å; L41-W54 HydrophobicContact CD1-CZ3 4.29Å; C43-W54 HydrophobicContact CB-CH2 3.74Å; C43-W54 HydrophobicContact CB-CZ2 3.58Å; W54-L66 HydrophobicContact CB-CB 4.29Å; W54-L66 HydrophobicContact CB-CD1 4.43Å; W54-L66 WeakPolarHBondContact O-CB 3.34Å; W54-L66 PolarHBondContact O-N 3.3Å; W54-F67 PolarHBondContact N-O 2.96Å; W54-F67 PolarHBondContact O-N 3.02Å; W54-S81 PolarHBondContact NE1-OG 3.43Å; W54-S90 PolarHBondContact NE1-OG 3.2Å; W54-L92 HydrophobicContact CB-CD2 4.38Å; W54-L92 HydrophobicContact CD2-CB 3.6Å; W54-L92 HydrophobicContact CD2-CD2 4.03Å; W54-L92 HydrophobicContact CD2-CG 4.33Å; W54-L92 HydrophobicContact CE3-CB 3.76Å; W54-L92 HydrophobicContact CE3-CD2 3.68Å; W54-L92 HydrophobicContact CE3-CG 4.35Å; W54-L92 HydrophobicContact CG-CB 4.14Å; W54-L92 HydrophobicContact CG-CD2 4.35Å; W54-L92 HydrophobicContact CH2-CB 4.01Å; W54-L92 HydrophobicContact CZ2-CB 3.88Å; W54-L92 HydrophobicContact CZ3-CB 3.96Å; W54-L92 HydrophobicContact CZ3-CD2 4.27Å; W54-F106 WeakPolarHBondContact CA-O 3.36Å; W54-C107 HydrophobicContact CD2-CB 4.05Å; W54-C107 HydrophobicContact CE3-CB 3.91Å; W54-C107 HydrophobicContact CH2-CB 3.92Å; W54-C107 HydrophobicContact CZ2-CB 4.03Å; W54-C107 HydrophobicContact CZ3-CB 3.84Å
55	F	98	Very high	93.9	Very high	34 Å²	34	67 Å²	67	15%	0.149	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	149.1	179	-54.4	-91.8	0	0	0	111	Q53 L63 I64 N65 Y105 F106 A108	Q53-F55 HydrophobicContact CB-CD2 4.36Å; Q53-F55 HydrophobicContact CB-CE2 3.47Å; Q53-F55 VanDerWaalsContact CB-CE2 3.47Å; Q53-F55 HydrophobicContact CB-CZ 3.69Å; Q53-F55 HydrophobicContact CG-CZ 4.4Å; F55-L63 HydrophobicContact CB-CB 4.35Å; F55-L63 HydrophobicContact CB-CD2 4.27Å; F55-L63 HydrophobicContact CD1-CB 4.15Å; F55-I64 CarbonylContact C-O 3.52Å; F55-I64 WeakPolarHBondContact CA-O 3.1Å; F55-N65 HydrophobicContact CD1-CB 4.16Å; F55-N65 HydrophobicContact CE1-CB 4.07Å; F55-Y105 VanDerWaalsContact O-CA 3.29Å; F55-Y105 WeakPolarHBondContact O-CA 3.47Å; F55-F106 HydrophobicContact CB-CB 4.38Å; F55-F106 PolarHBondContact N-O 3.42Å; F55-F106 PolarHBondContact O-N 3.4Å; F55-A108 HydrophobicContact CE2-CB 4.16Å
56	Q	97.2	Very high	94.1	Very high	31 Å²	31	67.8 Å²	67.8	15%	0.145	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	132	163	-169.7	-172.7	21	0	0	108.4	I64 L66 E100 D101 Y105	Q56-I64 PolarHBondContact N-O 2.82Å; Q56-I64 PolarHBondContact O-N 3.26Å; Q56-L66 HydrophobicContact CB-CD1 4.12Å; Q56-L66 HydrophobicContact CB-CD2 4.11Å; Q56-L66 HydrophobicContact CB-CG 4.3Å; Q56-E100 PolarHBondContact NE2-O 3.04Å; Q56-D101 PolarHBondContact NE2-O 2.97Å; Q56-Y105 HydrophobicContact CB-CD1 4.13Å; Q56-Y105 HydrophobicContact CB-CE1 3.92Å; Q56-Y105 HydrophobicContact CG-CD1 4.27Å; Q56-Y105 HydrophobicContact CG-CE1 3.83Å; Q56-Y105 HydrophobicContact CG-CE2 4.34Å; Q56-Y105 PolarHBondContact NE2-OH 3.47Å
57	Q	95.8	Very high	94.4	Very high	64 Å²	64	64.4 Å²	64.4	30%	0.299	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	123.5	171.3	-170.4	174.4	37.9	0	0	109.7	G61 L63 T104 F106	Q57-G61 PolarHBondContact NE2-O 2.82Å; Q57-L63 HydrophobicContact CB-CD2 3.93Å; Q57-L63 HydrophobicContact CG-CD2 4.28Å; Q57-T104 PolarHBondContact N-O 3.48Å; Q57-F106 HydrophobicContact CB-CE2 3.96Å
58	N	85.9	Confident	94.7	Very high	50 Å²	50	66.3 Å²	66.3	27%	0.267	34%	0.336	S	S	.	.			trans	-78.2	171.3	174.9	67.5	28.9	0	0	0	111.9	R60 G61 S62 I64	N58-R60 PolarHBondContact O-N 2.79Å; N58-R60 WeakPolarHBondContact OD1-CA 3.4Å; N58-R60 WeakPolarHBondContact OD1-CB 3.44Å; N58-R60 PolarHBondContact OD1-N 3.19Å; N58-G61 PolarHBondContact O-N 3.03Å; N58-G61 PolarHBondContact OD1-N 3.23Å; N58-G61 VanDerWaalsContact OD1-N 3.17Å; N58-S62 VanDerWaalsContact CG-O 3.27Å; N58-S62 PolarHBondContact N-O 2.84Å; N58-S62 PolarHBondContact OD1-N 2.65Å; N58-S62 PolarHBondContact OD1-O 3.4Å; N58-I64 HydrophobicContact CB-CD1 4Å
59	S	84.9	Confident	95	Very high	130 Å²	130	61.6 Å²	61.6	91%	0.909	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-15.6	178.7	57.1	0	0	0	0	114.9
60	R	88.5	Confident	95.1	Very high	230 Å²	230	64.1 Å²	64.1	87%	0.868	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	4.8	175.5	-52.4	-174.7	-158.7	177.9	5.8	112.8	N58 S62	N58-R60 PolarHBondContact O-N 2.79Å; N58-R60 WeakPolarHBondContact OD1-CA 3.4Å; N58-R60 WeakPolarHBondContact OD1-CB 3.44Å; N58-R60 PolarHBondContact OD1-N 3.19Å; R60-S62 VanDerWaalsContact C-N 3.29Å; R60-S62 PolarHBondContact O-N 2.94Å
61	G	89.1	Confident	95.1	Very high	39 Å²	39	58.8 Å²	58.8	40%	0.402	32%	0.323	S	S	.	.	S	Bend	trans	81.1	0	-179.9	0	0	0	0	0	115.1	Q57 N58	Q57-G61 PolarHBondContact NE2-O 2.82Å; N58-G61 PolarHBondContact O-N 3.03Å; N58-G61 PolarHBondContact OD1-N 3.23Å; N58-G61 VanDerWaalsContact OD1-N 3.17Å
62	S	93.5	Very high	95	Very high	67 Å²	67	60.5 Å²	60.5	47%	0.469	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-81.3	138	178.6	164.8	0	0	0	0	111	N58 R60	N58-S62 VanDerWaalsContact CG-O 3.27Å; N58-S62 PolarHBondContact N-O 2.84Å; N58-S62 PolarHBondContact OD1-N 2.65Å; N58-S62 PolarHBondContact OD1-O 3.4Å; R60-S62 VanDerWaalsContact C-N 3.29Å; R60-S62 PolarHBondContact O-N 2.94Å
63	L	94.9	Very high	95.1	Very high	89 Å²	89	64 Å²	64	47%	0.466	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	121.2	177.6	-64.6	179.5	0	0	0	110.7	F55 Q57 F106	F55-L63 HydrophobicContact CB-CB 4.35Å; F55-L63 HydrophobicContact CB-CD2 4.27Å; F55-L63 HydrophobicContact CD1-CB 4.15Å; Q57-L63 HydrophobicContact CB-CD2 3.93Å; Q57-L63 HydrophobicContact CG-CD2 4.28Å; L63-F106 HydrophobicContact CD2-CD2 3.58Å; L63-F106 HydrophobicContact CD2-CE2 3.87Å
64	I	95.6	Very high	95.1	Very high	76 Å²	76	66.6 Å²	66.6	39%	0.39	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	122.7	172.4	-59.1	173.6	0	0	0	107.6	F55 Q56 N58 L66	F55-I64 CarbonylContact C-O 3.52Å; F55-I64 WeakPolarHBondContact CA-O 3.1Å; Q56-I64 PolarHBondContact N-O 2.82Å; Q56-I64 PolarHBondContact O-N 3.26Å; N58-I64 HydrophobicContact CB-CD1 4Å; I64-L66 PolarHBondContact O-N 2.91Å
65	N	96.8	Very high	95.1	Very high	83 Å²	83	71.9 Å²	71.9	44%	0.444	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	122.2	173.3	-176.2	-37.9	0	0	0	109.7	Q53 F55 F67	Q53-N65 PolarHBondContact NE2-ND2 3.36Å; F55-N65 HydrophobicContact CD1-CB 4.16Å; F55-N65 HydrophobicContact CE1-CB 4.07Å; N65-F67 PolarHBondContact OD1-N 2.83Å; N65-F67 PolarHBondContact OD1-O 2.97Å
66	L	98	Very high	95.1	Very high	30 Å²	30	75.8 Å²	75.8	16%	0.157	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-49.5	176.6	-56.8	175.1	0	0	0	111.1	W54 Q56 I64 L79 L92 Y105	W54-L66 HydrophobicContact CB-CB 4.29Å; W54-L66 HydrophobicContact CB-CD1 4.43Å; W54-L66 WeakPolarHBondContact O-CB 3.34Å; W54-L66 PolarHBondContact O-N 3.3Å; Q56-L66 HydrophobicContact CB-CD1 4.12Å; Q56-L66 HydrophobicContact CB-CD2 4.11Å; Q56-L66 HydrophobicContact CB-CG 4.3Å; I64-L66 PolarHBondContact O-N 2.91Å; L66-L79 HydrophobicContact CD1-CD1 4.25Å; L66-L79 HydrophobicContact CD2-CD1 3.91Å; L66-L92 HydrophobicContact CD1-CD1 4.49Å; L66-L92 HydrophobicContact CD1-CD2 3.81Å; L66-Y105 HydrophobicContact CD1-CD1 3.81Å; L66-Y105 HydrophobicContact CD1-CE1 3.72Å
67	F	98.4	Very high	95	Very high	13 Å²	13	76.9 Å²	76.9	6%	0.057	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	147.6	-178.7	-62.7	-74	0	0	0	112.2	Q53 W54 N65 L69 K74 N76 L79 S81 L92	Q53-F67 VanDerWaalsContact CA-O 3.25Å; Q53-F67 WeakPolarHBondContact CA-O 3.28Å; W54-F67 PolarHBondContact N-O 2.96Å; W54-F67 PolarHBondContact O-N 3.02Å; N65-F67 PolarHBondContact OD1-N 2.83Å; N65-F67 PolarHBondContact OD1-O 2.97Å; F67-L69 HydrophobicContact CB-CD1 3.53Å; F67-L69 HydrophobicContact CB-CG 4.42Å; F67-L69 HydrophobicContact CG-CD1 4.39Å; F67-K74 HydrophobicContact CD1-CB 3.73Å; F67-K74 HydrophobicContact CE1-CB 3.92Å; F67-N76 HydrophobicContact CE1-CB 3.89Å; F67-N76 HydrophobicContact CZ-CB 3.95Å; F67-L79 HydrophobicContact CE2-CB 3.81Å; F67-L79 HydrophobicContact CZ-CB 3.97Å; F67-L79 WeakPolarHBondContact CZ-O 3.45Å; F67-S81 VanDerWaalsContact CD2-CB 3.48Å; F67-L92 HydrophobicContact CD2-CD1 3.98Å; F67-L92 HydrophobicContact CE2-CD1 3.83Å
68	Y	98.2	Very high	95.1	Very high	97 Å²	97	76.7 Å²	76.7	38%	0.38	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	120.2	160	-179.2	-84.8	0	0	0	108	A51 V52 Q53 K74 E110	A51-Y68 HydrophobicContact CB-CE1 4.15Å; A51-Y68 HydrophobicContact CB-CE2 3.99Å; A51-Y68 WeakPolarHBondContact CB-OH 3.18Å; V52-Y68 WeakPolarHBondContact O-CA 3.33Å; Q53-Y68 HydrophobicContact CG-CD2 3.43Å; Q53-Y68 VanDerWaalsContact CG-CD2 3.43Å; Q53-Y68 HydrophobicContact CG-CE2 4.08Å; Q53-Y68 HydrophobicContact CG-CG 4.32Å; Y68-K74 WeakPolarHBondContact O-CE 3.38Å; Y68-K74 PolarHBondContact O-NZ 3.41Å; Y68-E110 PolarHBondContact OH-OE1 2.87Å
69	L	98.1	Very high	95.7	Very high	0 Å²	0	75.4 Å²	75.4	0%	0	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	120.3	179.9	-53.7	95.1	0	0	0	110.4	A51 V52 F67 K74 S81 F83	A51-L69 CarbonylContact C-O 3.54Å; A51-L69 WeakPolarHBondContact CA-O 3.47Å; V52-L69 HydrophobicContact CG1-CB 4Å; V52-L69 HydrophobicContact CG1-CD1 3.91Å; V52-L69 PolarHBondContact N-O 2.88Å; V52-L69 PolarHBondContact O-N 3.13Å; F67-L69 HydrophobicContact CB-CD1 3.53Å; F67-L69 HydrophobicContact CB-CG 4.42Å; F67-L69 HydrophobicContact CG-CD1 4.39Å; L69-K74 HydrophobicContact CD2-CB 4.07Å; L69-K74 HydrophobicContact CD2-CG 4.08Å; L69-K74 HydrophobicContact CG-CD 4.28Å; L69-K74 HydrophobicContact CG-CG 4.32Å; L69-S81 WeakPolarHBondContact CD1-OG 3.02Å; L69-S81 WeakPolarHBondContact CD2-O 3.24Å; L69-F83 HydrophobicContact CB-CB 3.85Å; L69-F83 HydrophobicContact CB-CD1 4.41Å; L69-F83 HydrophobicContact CD2-CB 4.36Å; L69-F83 VanDerWaalsContact O-CD1 3.29Å; L69-F83 WeakPolarHBondContact O-CD1 3.42Å
70	A	96.7	Very high	96.3	Very high	58 Å²	58	73.1 Å²	73.1	48%	0.479	40%	0.403	S	S	.	.	S	Bend	trans	-86.4	-21.8	166.8	0	0	0	0	0	112.2	R50 F83	R50-A70 WeakPolarHBondContact O-CA 3.49Å; A70-F83 WeakPolarHBondContact O-CE1 3.27Å
71	S	95.1	Very high	96.8	Very high	92 Å²	92	62.2 Å²	62.2	64%	0.643	36%	0.361	S	S	*	.	S	Bend	trans	-168.4	164.7	172.4	56.7	0	0	0	0	110.7
72	G	96.7	Very high	97.3	Very high	38 Å²	38	62 Å²	62	39%	0.392	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	75	-141.1	165.8	0	0	0	0	0	113.4	T82 F83	G72-T82 CarbonylContact O-C 3.53Å; G72-T82 WeakPolarHBondContact O-CA 3.18Å; G72-F83 PolarHBondContact N-O 2.85Å; G72-F83 PolarHBondContact O-N 2.79Å
73	T	98.5	Very high	97.5	Very high	74 Å²	74	59.1 Å²	59.1	45%	0.454	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	139.9	-172.6	-65.5	0	0	0	0	110.5	K80 S81 T82	T73-K80 HydrophobicContact CG2-CD 4.25Å; T73-K80 HydrophobicContact CG2-CG 3.92Å; T73-S81 CarbonylContact C-O 3.58Å; T73-S81 VanDerWaalsContact CA-O 3.25Å; T73-S81 WeakPolarHBondContact CA-O 3.31Å; T73-S81 WeakPolarHBondContact CG2-O 3.46Å; T73-T82 WeakPolarHBondContact OG1-CG2 3.25Å; T73-T82 PolarHBondContact OG1-OG1 2.84Å
74	K	98.5	Very high	97.6	Very high	104 Å²	104	56.7 Å²	56.7	45%	0.452	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	149.9	171.5	-69.9	-172.4	177.1	177.8	0	110	F67 Y68 L69 K80 S81	F67-K74 HydrophobicContact CD1-CB 3.73Å; F67-K74 HydrophobicContact CE1-CB 3.92Å; Y68-K74 WeakPolarHBondContact O-CE 3.38Å; Y68-K74 PolarHBondContact O-NZ 3.41Å; L69-K74 HydrophobicContact CD2-CB 4.07Å; L69-K74 HydrophobicContact CD2-CG 4.08Å; L69-K74 HydrophobicContact CG-CD 4.28Å; L69-K74 HydrophobicContact CG-CG 4.32Å; K74-K80 CarbonylContact O-C 3.47Å; K74-K80 WeakPolarHBondContact O-CA 2.99Å; K74-S81 PolarHBondContact N-O 3.08Å; K74-S81 PolarHBondContact O-N 2.89Å
75	E	98.3	Very high	97.6	Very high	110 Å²	110	54.8 Å²	54.8	51%	0.514	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	138.9	-179.9	-170.4	170.2	144.7	0	0	109.2	L79 K80 R95	E75-L79 WeakPolarHBondContact CA-O 3.19Å; E75-L79 WeakPolarHBondContact CG-O 3.39Å; E75-K80 HydrophobicContact CB-CB 4.47Å; E75-K80 HydrophobicContact CB-CG 4.45Å; E75-K80 HydrophobicContact CG-CB 4.16Å; E75-R95 IonicContact OE1-CZ 2.82Å; E75-R95 IonicContact OE1-NH1 3.46Å; E75-R95 IonicContact OE1-NH2 2.94Å; E75-R95 PolarHBondContact OE1-NH2 2.75Å
76	N	97.6	Very high	97.4	Very high	117 Å²	117	59.9 Å²	59.9	63%	0.626	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.1	105.8	174	-177.5	13.9	0	0	0	108.5	F67 R78 L79	F67-N76 HydrophobicContact CE1-CB 3.89Å; F67-N76 HydrophobicContact CZ-CB 3.95Å; N76-R78 PolarHBondContact O-N 3.16Å; N76-L79 PolarHBondContact N-O 2.81Å; N76-L79 PolarHBondContact O-N 2.93Å; N76-L79 VanDerWaalsContact O-N 3.08Å
77	G	96.7	Very high	97.3	Very high	54 Å²	54	64.1 Å²	64.1	56%	0.557	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	-122.9	-175.4	0	0	0	0	0	111.8	L79 R95	G77-L79 VanDerWaalsContact C-N 3.27Å; G77-L79 PolarHBondContact O-N 2.72Å; G77-R95 PolarHBondContact O-NH2 3.26Å
78	R	97.2	Very high	97.2	Very high	59 Å²	59	64.6 Å²	64.6	22%	0.223	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-12.3	-178.2	-68.1	-172	-60.6	91.3	0.7	113.8	N76 R95 D96 Q98 E100 D101	N76-R78 PolarHBondContact O-N 3.16Å; R78-R95 WeakPolarHBondContact CB-O 3.48Å; R78-R95 PolarHBondContact NH1-O 2.98Å; R78-R95 PolarHBondContact O-N 2.88Å; R78-D96 WeakPolarHBondContact CD-O 3.48Å; R78-D96 PolarHBondContact NH1-O 2.86Å; R78-Q98 VanDerWaalsContact CZ-CG 3.47Å; R78-E100 IonicContact CZ-OE1 3.95Å; R78-E100 IonicContact NH2-OE1 3.19Å; R78-E100 PolarHBondContact NH2-OE1 2.99Å; R78-D101 IonicContact CZ-OD1 3.56Å; R78-D101 IonicContact CZ-OD2 3.34Å; R78-D101 IonicContact NH1-OD1 3.4Å; R78-D101 PolarHBondContact NH1-OD1 3.36Å; R78-D101 IonicContact NH1-OD2 2.65Å; R78-D101 PolarHBondContact NH1-OD2 2.9Å; R78-D101 IonicContact NH2-OD1 3.85Å; R78-D101 PolarHBondContact NH2-OD1 2.9Å; R78-D101 IonicContact NH2-OD2 2.64Å; R78-D101 PolarHBondContact NH2-OD2 2.83Å
79	L	98.2	Very high	97.1	Very high	24 Å²	24	61.8 Å²	61.8	13%	0.126	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	137.3	-177.6	-56.6	-179	0	0	0	112	L66 F67 E75 N76 G77 H93 I94	L66-L79 HydrophobicContact CD1-CD1 4.25Å; L66-L79 HydrophobicContact CD2-CD1 3.91Å; F67-L79 HydrophobicContact CE2-CB 3.81Å; F67-L79 HydrophobicContact CZ-CB 3.97Å; F67-L79 WeakPolarHBondContact CZ-O 3.45Å; E75-L79 WeakPolarHBondContact CA-O 3.19Å; E75-L79 WeakPolarHBondContact CG-O 3.39Å; N76-L79 PolarHBondContact N-O 2.81Å; N76-L79 PolarHBondContact O-N 2.93Å; N76-L79 VanDerWaalsContact O-N 3.08Å; G77-L79 VanDerWaalsContact C-N 3.27Å; G77-L79 PolarHBondContact O-N 2.72Å; L79-H93 CarbonylContact C-O 3.56Å; L79-H93 WeakPolarHBondContact CA-O 3.35Å; L79-I94 HydrophobicContact CD2-CB 4.08Å; L79-I94 HydrophobicContact CD2-CD1 4.46Å; L79-I94 HydrophobicContact CD2-CG1 3.67Å; L79-I94 HydrophobicContact CD2-CG2 3.92Å
80	K	98.7	Very high	97.2	Very high	82 Å²	82	61.8 Å²	61.8	36%	0.357	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	130.1	174.8	178.6	-178.2	179.7	178.5	0	109.8	T73 K74 E75 H93	T73-K80 HydrophobicContact CG2-CD 4.25Å; T73-K80 HydrophobicContact CG2-CG 3.92Å; K74-K80 CarbonylContact O-C 3.47Å; K74-K80 WeakPolarHBondContact O-CA 2.99Å; E75-K80 HydrophobicContact CB-CB 4.47Å; E75-K80 HydrophobicContact CB-CG 4.45Å; E75-K80 HydrophobicContact CG-CB 4.16Å; K80-H93 HydrophobicContact CB-CB 4.31Å; K80-H93 PolarHBondContact N-O 2.8Å; K80-H93 PolarHBondContact O-N 2.87Å
81	S	98.7	Very high	97.2	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	141.8	174.2	-176.1	0	0	0	0	111.7	W54 F67 L69 T73 K74 T91	W54-S81 PolarHBondContact NE1-OG 3.43Å; F67-S81 VanDerWaalsContact CD2-CB 3.48Å; L69-S81 WeakPolarHBondContact CD1-OG 3.02Å; L69-S81 WeakPolarHBondContact CD2-O 3.24Å; T73-S81 CarbonylContact C-O 3.58Å; T73-S81 VanDerWaalsContact CA-O 3.25Å; T73-S81 WeakPolarHBondContact CA-O 3.31Å; T73-S81 WeakPolarHBondContact CG2-O 3.46Å; K74-S81 PolarHBondContact N-O 3.08Å; K74-S81 PolarHBondContact O-N 2.89Å; S81-T91 CarbonylContact C-O 3.59Å; S81-T91 WeakPolarHBondContact CA-O 3.39Å; S81-T91 WeakPolarHBondContact CB-O 3.32Å; S81-T91 PolarHBondContact OG-O 2.64Å
82	T	98.6	Very high	97.4	Very high	35 Å²	35	56.2 Å²	56.2	22%	0.215	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	140.2	176	-63.3	0	0	0	0	108.7	G72 T73 S90 T91	G72-T82 CarbonylContact O-C 3.53Å; G72-T82 WeakPolarHBondContact O-CA 3.18Å; T73-T82 WeakPolarHBondContact OG1-CG2 3.25Å; T73-T82 PolarHBondContact OG1-OG1 2.84Å; T82-S90 CarbonylContact O-C 3.59Å; T82-S90 WeakPolarHBondContact O-CA 3.16Å; T82-S90 WeakPolarHBondContact O-CB 3.27Å; T82-S90 PolarHBondContact O-OG 3.24Å; T82-T91 PolarHBondContact N-O 2.86Å; T82-T91 PolarHBondContact O-N 2.81Å
83	F	98.6	Very high	97.5	Very high	7 Å²	7	57.9 Å²	57.9	3%	0.031	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	120.5	176.4	176.3	-136.3	0	0	0	110.5	F45 M49 V52 L69 A70 G72 Y89	F45-F83 HydrophobicContact CD2-CE2 4.44Å; F45-F83 HydrophobicContact CE2-CD2 4.22Å; F45-F83 AromaticContact CE2-CE2 3.79Å; F45-F83 HydrophobicContact CE2-CE2 3.79Å; M49-F83 HydrophobicContact CB-CE2 4.25Å; M49-F83 HydrophobicContact CB-CZ 3.93Å; M49-F83 WeakPolarHBondContact O-CZ 3.34Å; V52-F83 HydrophobicContact CB-CD2 4.13Å; V52-F83 HydrophobicContact CB-CE2 4.4Å; V52-F83 HydrophobicContact CB-CG 4.32Å; V52-F83 HydrophobicContact CG1-CB 3.62Å; V52-F83 HydrophobicContact CG1-CD1 4.11Å; V52-F83 HydrophobicContact CG1-CD2 3.74Å; V52-F83 HydrophobicContact CG1-CE2 4.46Å; V52-F83 HydrophobicContact CG1-CG 3.55Å; L69-F83 HydrophobicContact CB-CB 3.85Å; L69-F83 HydrophobicContact CB-CD1 4.41Å; L69-F83 HydrophobicContact CD2-CB 4.36Å; L69-F83 VanDerWaalsContact O-CD1 3.29Å; L69-F83 WeakPolarHBondContact O-CD1 3.42Å; A70-F83 WeakPolarHBondContact O-CE1 3.27Å; G72-F83 PolarHBondContact N-O 2.85Å; G72-F83 PolarHBondContact O-N 2.79Å; F83-Y89 WeakPolarHBondContact CD2-O 3.42Å
84	N	96.9	Very high	97.5	Very high	37 Å²	37	55 Å²	55	20%	0.198	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	94	175.5	-172	-22.6	0	0	0	108.9	K86 E87 S88 Y89	N84-K86 VanDerWaalsContact C-N 3.3Å; N84-K86 PolarHBondContact O-N 2.95Å; N84-K86 PolarHBondContact OD1-N 2.82Å; N84-E87 HydrophobicContact CB-CB 4.33Å; N84-E87 PolarHBondContact ND2-OE1 3.18Å; N84-E87 PolarHBondContact O-N 3.02Å; N84-E87 PolarHBondContact OD1-N 2.02Å; N84-S88 PolarHBondContact O-N 2.82Å; N84-Y89 HydrophobicContact CB-CD1 4.22Å; N84-Y89 HydrophobicContact CB-CE1 3.74Å; N84-Y89 HydrophobicContact CB-CE2 4.43Å; N84-Y89 PolarHBondContact N-O 2.84Å; N84-Y89 PolarHBondContact O-N 3.19Å; N84-Y89 VanDerWaalsContact O-N 3.16Å
85	S	95	Very high	97.5	Very high	37 Å²	37	55 Å²	55	26%	0.259	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-39.2	178.6	175	0	0	0	0	112.2	T48 M49 E87 S88	T48-S85 WeakPolarHBondContact CG2-OG 3.31Å; M49-S85 WeakPolarHBondContact O-CB 3.42Å; M49-S85 PolarHBondContact O-OG 2.91Å; S85-E87 PolarHBondContact O-N 3.46Å; S85-S88 PolarHBondContact O-N 3.47Å
86	K	93.3	Very high	97.4	Very high	190 Å²	190	53.5 Å²	53.5	83%	0.826	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-40.1	-178.9	-176.3	-179.4	177.6	-175.1	0	112.4	N84 S88	N84-K86 VanDerWaalsContact C-N 3.3Å; N84-K86 PolarHBondContact O-N 2.95Å; N84-K86 PolarHBondContact OD1-N 2.82Å; K86-S88 VanDerWaalsContact C-N 3.3Å
87	E	95	Very high	97.4	Very high	119 Å²	119	48.3 Å²	48.3	56%	0.556	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	6.5	177.6	-67.8	175.5	-137.3	0	0	112.7	N84 S85 Y89	N84-E87 HydrophobicContact CB-CB 4.33Å; N84-E87 PolarHBondContact ND2-OE1 3.18Å; N84-E87 PolarHBondContact O-N 3.02Å; N84-E87 PolarHBondContact OD1-N 2.02Å; S85-E87 PolarHBondContact O-N 3.46Å; E87-Y89 VanDerWaalsContact C-N 3.32Å; E87-Y89 HydrophobicContact CB-CD1 3.56Å; E87-Y89 HydrophobicContact CB-CE1 3.51Å; E87-Y89 HydrophobicContact CG-CE1 4.38Å; E87-Y89 PolarHBondContact O-N 3.45Å; E87-Y89 WeakPolarHBondContact OE2-CE1 3.15Å
88	S	95.9	Very high	97.4	Very high	22 Å²	22	48.4 Å²	48.4	15%	0.154	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	45.8	176.1	-58.2	0	0	0	0	113.3	F45 T47 N84 S85 K86	F45-S88 WeakPolarHBondContact CD2-O 3.4Å; F45-S88 PolarHBondContact N-O 2.94Å; F45-S88 WeakPolarHBondContact O-CB 3.43Å; T47-S88 PolarHBondContact O-OG 3.26Å; N84-S88 PolarHBondContact O-N 2.82Å; S85-S88 PolarHBondContact O-N 3.47Å; K86-S88 VanDerWaalsContact C-N 3.3Å
89	Y	97.6	Very high	97.2	Very high	39 Å²	39	51.3 Å²	51.3	15%	0.153	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	160.1	172.1	78.9	-90.7	0	0	0	113.8	R42 C43 N44 F83 N84 E87 T91	R42-Y89 VanDerWaalsContact NH2-CD1 3.33Å; C43-Y89 CarbonylContact O-C 3.57Å; C43-Y89 WeakPolarHBondContact O-CA 3.39Å; C43-Y89 WeakPolarHBondContact O-CB 3.49Å; N44-Y89 WeakPolarHBondContact OD1-CB 3.49Å; F83-Y89 WeakPolarHBondContact CD2-O 3.42Å; N84-Y89 HydrophobicContact CB-CD1 4.22Å; N84-Y89 HydrophobicContact CB-CE1 3.74Å; N84-Y89 HydrophobicContact CB-CE2 4.43Å; N84-Y89 PolarHBondContact N-O 2.84Å; N84-Y89 PolarHBondContact O-N 3.19Å; N84-Y89 VanDerWaalsContact O-N 3.16Å; E87-Y89 VanDerWaalsContact C-N 3.32Å; E87-Y89 HydrophobicContact CB-CD1 3.56Å; E87-Y89 HydrophobicContact CB-CE1 3.51Å; E87-Y89 HydrophobicContact CG-CE1 4.38Å; E87-Y89 PolarHBondContact O-N 3.45Å; E87-Y89 WeakPolarHBondContact OE2-CE1 3.15Å; Y89-T91 HydrophobicContact CD2-CG2 3.99Å; Y89-T91 HydrophobicContact CE2-CG2 3.96Å
90	S	98.5	Very high	97	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	153.6	164.7	-176.4	0	0	0	0	110.7	R42 C43 V52 W54 T82	R42-S90 WeakPolarHBondContact CA-O 3.44Å; C43-S90 PolarHBondContact N-O 3.3Å; C43-S90 PolarHBondContact O-N 2.77Å; V52-S90 WeakPolarHBondContact CG1-OG 3.41Å; W54-S90 PolarHBondContact NE1-OG 3.2Å; T82-S90 CarbonylContact O-C 3.59Å; T82-S90 WeakPolarHBondContact O-CA 3.16Å; T82-S90 WeakPolarHBondContact O-CB 3.27Å; T82-S90 PolarHBondContact O-OG 3.24Å
91	T	98.6	Very high	96.8	Very high	32 Å²	32	53.1 Å²	53.1	20%	0.196	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	147.6	172	55.6	0	0	0	0	110.9	L41 R42 S81 T82 Y89	L41-T91 CarbonylContact O-C 3.53Å; L41-T91 WeakPolarHBondContact O-CA 3.26Å; R42-T91 HydrophobicContact CB-CG2 4.31Å; R42-T91 HydrophobicContact CG-CG2 4.22Å; S81-T91 CarbonylContact C-O 3.59Å; S81-T91 WeakPolarHBondContact CA-O 3.39Å; S81-T91 WeakPolarHBondContact CB-O 3.32Å; S81-T91 PolarHBondContact OG-O 2.64Å; T82-T91 PolarHBondContact N-O 2.86Å; T82-T91 PolarHBondContact O-N 2.81Å; Y89-T91 HydrophobicContact CD2-CG2 3.99Å; Y89-T91 HydrophobicContact CE2-CG2 3.96Å
92	L	98.7	Very high	96.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	115	166.2	176.3	65.6	0	0	0	108.2	A40 L41 W54 L66 F67 Y105	A40-L92 CarbonylContact C-O 3.53Å; A40-L92 VanDerWaalsContact CA-O 3.28Å; A40-L92 WeakPolarHBondContact CA-O 3.25Å; L41-L92 HydrophobicContact CB-CB 4.43Å; L41-L92 HydrophobicContact CD1-CD2 4.4Å; L41-L92 PolarHBondContact N-O 3.3Å; L41-L92 PolarHBondContact O-N 3.43Å; W54-L92 HydrophobicContact CB-CD2 4.38Å; W54-L92 HydrophobicContact CD2-CB 3.6Å; W54-L92 HydrophobicContact CD2-CD2 4.03Å; W54-L92 HydrophobicContact CD2-CG 4.33Å; W54-L92 HydrophobicContact CE3-CB 3.76Å; W54-L92 HydrophobicContact CE3-CD2 3.68Å; W54-L92 HydrophobicContact CE3-CG 4.35Å; W54-L92 HydrophobicContact CG-CB 4.14Å; W54-L92 HydrophobicContact CG-CD2 4.35Å; W54-L92 HydrophobicContact CH2-CB 4.01Å; W54-L92 HydrophobicContact CZ2-CB 3.88Å; W54-L92 HydrophobicContact CZ3-CB 3.96Å; W54-L92 HydrophobicContact CZ3-CD2 4.27Å; L66-L92 HydrophobicContact CD1-CD1 4.49Å; L66-L92 HydrophobicContact CD1-CD2 3.81Å; F67-L92 HydrophobicContact CD2-CD1 3.98Å; F67-L92 HydrophobicContact CE2-CD1 3.83Å; L92-Y105 HydrophobicContact CD2-CD1 3.48Å; L92-Y105 VanDerWaalsContact CD2-CD1 3.48Å; L92-Y105 HydrophobicContact CD2-CE1 3.88Å; L92-Y105 HydrophobicContact CD2-CG 4.34Å
93	H	98.5	Very high	96.3	Very high	73 Å²	73	58.2 Å²	58.2	34%	0.338	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	131.7	179.5	-152.6	81.5	0	0	0	109.7	S39 A40 L79 K80	S39-H93 WeakPolarHBondContact O-CA 3.46Å; S39-H93 PolarHBondContact O-ND1 3.02Å; A40-H93 WeakPolarHBondContact CB-ND1 3.33Å; L79-H93 CarbonylContact C-O 3.56Å; L79-H93 WeakPolarHBondContact CA-O 3.35Å; K80-H93 HydrophobicContact CB-CB 4.31Å; K80-H93 PolarHBondContact N-O 2.8Å; K80-H93 PolarHBondContact O-N 2.87Å
94	I	98	Very high	96.2	Very high	13 Å²	13	61.3 Å²	61.3	7%	0.067	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	121.4	175.7	-49.5	178.2	0	0	0	106.2	G38 S39 L79 D101 Y105	G38-I94 CarbonylContact C-O 3.49Å; G38-I94 WeakPolarHBondContact CA-O 3.37Å; S39-I94 PolarHBondContact N-O 3.49Å; S39-I94 PolarHBondContact O-N 2.9Å; L79-I94 HydrophobicContact CD2-CB 4.08Å; L79-I94 HydrophobicContact CD2-CD1 4.46Å; L79-I94 HydrophobicContact CD2-CG1 3.67Å; L79-I94 HydrophobicContact CD2-CG2 3.92Å; I94-D101 HydrophobicContact CG2-CB 4.44Å; I94-Y105 HydrophobicContact CD1-CE1 4.28Å; I94-Y105 HydrophobicContact CD1-CE2 4.12Å
95	R	98	Very high	96.2	Very high	104 Å²	104	60.8 Å²	60.8	39%	0.392	32%	0.319	S	S	.	.			trans	-103.7	153.9	174.3	-62.6	179.5	-66.9	154.7	-3.2	109.6	E75 G77 R78 A97	E75-R95 IonicContact OE1-CZ 2.82Å; E75-R95 IonicContact OE1-NH1 3.46Å; E75-R95 IonicContact OE1-NH2 2.94Å; E75-R95 PolarHBondContact OE1-NH2 2.75Å; G77-R95 PolarHBondContact O-NH2 3.26Å; R78-R95 WeakPolarHBondContact CB-O 3.48Å; R78-R95 PolarHBondContact NH1-O 2.98Å; R78-R95 PolarHBondContact O-N 2.88Å; R95-A97 VanDerWaalsContact C-N 3.3Å; R95-A97 PolarHBondContact O-N 2.89Å
96	D	97.6	Very high	96.3	Very high	80 Å²	80	62.8 Å²	62.8	43%	0.428	32%	0.323	S	S	.	.	S	Bend	trans	48.3	56.5	172.6	-179.2	35	0	0	0	110.8	G36 T37 R78 Q98	G36-D96 WeakPolarHBondContact CA-OD1 3.36Å; T37-D96 PolarHBondContact O-N 3.06Å; R78-D96 WeakPolarHBondContact CD-O 3.48Å; R78-D96 PolarHBondContact NH1-O 2.86Å; D96-Q98 WeakPolarHBondContact O-CG 3.36Å; D96-Q98 PolarHBondContact O-N 2.79Å; D96-Q98 PolarHBondContact O-NE2 2.9Å; D96-Q98 PolarHBondContact OD1-NE2 2.81Å
97	A	97.2	Very high	96.5	Very high	7 Å²	7	54.4 Å²	54.4	6%	0.058	29%	0.288	C	S	.	.			trans	-55.6	138.2	-171.1	0	0	0	0	0	110.8	L33 E35 G36 T37 R95 D101	L33-A97 HydrophobicContact CB-CB 4.42Å; L33-A97 HydrophobicContact CD1-CB 4.14Å; E35-A97 CarbonylContact C-O 3.54Å; E35-A97 WeakPolarHBondContact CA-O 3.46Å; G36-A97 PolarHBondContact N-O 3.25Å; T37-A97 WeakPolarHBondContact O-CB 3.32Å; T37-A97 PolarHBondContact O-N 3.16Å; R95-A97 VanDerWaalsContact C-N 3.3Å; R95-A97 PolarHBondContact O-N 2.89Å; A97-D101 WeakPolarHBondContact CA-OD2 3.46Å
98	Q	96.6	Very high	96.5	Very high	57 Å²	57	50.8 Å²	50.8	27%	0.266	28%	0.278	S	S	.	.			trans	-124	164.9	178.7	-58.2	-64.1	-45.5	0	0	109.9	R78 D96 E100 D101	R78-Q98 VanDerWaalsContact CZ-CG 3.47Å; D96-Q98 WeakPolarHBondContact O-CG 3.36Å; D96-Q98 PolarHBondContact O-N 2.79Å; D96-Q98 PolarHBondContact O-NE2 2.9Å; D96-Q98 PolarHBondContact OD1-NE2 2.81Å; Q98-E100 HydrophobicContact CB-CG 4.42Å; Q98-E100 WeakPolarHBondContact CB-OE1 3.46Å; Q98-E100 WeakPolarHBondContact CB-OE2 3.39Å; Q98-E100 WeakPolarHBondContact CG-OE1 3.22Å; Q98-E100 PolarHBondContact O-N 3.19Å; Q98-D101 PolarHBondContact N-OD2 2.95Å; Q98-D101 WeakPolarHBondContact O-CB 3.47Å; Q98-D101 PolarHBondContact O-N 3.09Å
99	L	94	Very high	96.5	Very high	119 Å²	119	51 Å²	51	62%	0.623	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-58.2	-35.2	179.1	-68.6	174.7	0	0	0	112.4	E35 D101 S102	E35-L99 WeakPolarHBondContact OE1-CD2 3.33Å; E35-L99 VanDerWaalsContact OE1-CG 3.24Å; E35-L99 WeakPolarHBondContact OE1-CG 3.31Å; L99-D101 PolarHBondContact O-N 2.85Å; L99-S102 VanDerWaalsContact O-CB 3.23Å; L99-S102 WeakPolarHBondContact O-CB 3.44Å; L99-S102 PolarHBondContact O-N 3.48Å; L99-S102 VanDerWaalsContact O-N 3.1Å; L99-S102 PolarHBondContact O-OG 3.03Å
100	E	92.7	Very high	96.2	Very high	124 Å²	124	55.5 Å²	55.5	58%	0.579	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-67.8	-15.4	178.4	72.3	-87	-175.8	0	0	114.8	Q56 R78 Q98 S102	Q56-E100 PolarHBondContact NE2-O 3.04Å; R78-E100 IonicContact CZ-OE1 3.95Å; R78-E100 IonicContact NH2-OE1 3.19Å; R78-E100 PolarHBondContact NH2-OE1 2.99Å; Q98-E100 HydrophobicContact CB-CG 4.42Å; Q98-E100 WeakPolarHBondContact CB-OE1 3.46Å; Q98-E100 WeakPolarHBondContact CB-OE2 3.39Å; Q98-E100 WeakPolarHBondContact CG-OE1 3.22Å; Q98-E100 PolarHBondContact O-N 3.19Å; E100-S102 PolarHBondContact O-N 3.18Å
101	D	94.1	Very high	96.1	Very high	20 Å²	20	58.3 Å²	58.3	11%	0.107	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-77	-13.9	174.2	-57.1	-39.3	0	0	0	111.8	Q56 R78 I94 A97 Q98 L99 G103 Y105	Q56-D101 PolarHBondContact NE2-O 2.97Å; R78-D101 IonicContact CZ-OD1 3.56Å; R78-D101 IonicContact CZ-OD2 3.34Å; R78-D101 IonicContact NH1-OD1 3.4Å; R78-D101 PolarHBondContact NH1-OD1 3.36Å; R78-D101 IonicContact NH1-OD2 2.65Å; R78-D101 PolarHBondContact NH1-OD2 2.9Å; R78-D101 IonicContact NH2-OD1 3.85Å; R78-D101 PolarHBondContact NH2-OD1 2.9Å; R78-D101 IonicContact NH2-OD2 2.64Å; R78-D101 PolarHBondContact NH2-OD2 2.83Å; I94-D101 HydrophobicContact CG2-CB 4.44Å; A97-D101 WeakPolarHBondContact CA-OD2 3.46Å; Q98-D101 PolarHBondContact N-OD2 2.95Å; Q98-D101 WeakPolarHBondContact O-CB 3.47Å; Q98-D101 PolarHBondContact O-N 3.09Å; L99-D101 PolarHBondContact O-N 2.85Å; D101-G103 PolarHBondContact O-N 3.02Å; D101-G103 VanDerWaalsContact O-N 3.1Å; D101-Y105 WeakPolarHBondContact O-CE2 3.43Å; D101-Y105 PolarHBondContact O-OH 3.22Å
102	S	93.4	Very high	96	Very high	96 Å²	96	59.7 Å²	59.7	67%	0.671	33%	0.326	S	S	*	.			trans	-61.7	117.1	178.3	-59.2	0	0	0	0	110.3	L99 E100	L99-S102 VanDerWaalsContact O-CB 3.23Å; L99-S102 WeakPolarHBondContact O-CB 3.44Å; L99-S102 PolarHBondContact O-N 3.48Å; L99-S102 VanDerWaalsContact O-N 3.1Å; L99-S102 PolarHBondContact O-OG 3.03Å; E100-S102 PolarHBondContact O-N 3.18Å
103	G	94.2	Very high	95.8	Very high	46 Å²	46	63 Å²	63	47%	0.474	34%	0.344	S	S	.	.	S	Bend	trans	173.8	179.7	-179.4	0	0	0	0	0	113.1	D101 Y105	D101-G103 PolarHBondContact O-N 3.02Å; D101-G103 VanDerWaalsContact O-N 3.1Å; G103-Y105 WeakPolarHBondContact O-CD2 3.33Å
104	T	96	Very high	95.7	Very high	72 Å²	72	62.4 Å²	62.4	44%	0.442	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	129.2	176.5	-49	0	0	0	0	109.4	Q57 F106	Q57-T104 PolarHBondContact N-O 3.48Å; T104-F106 HydrophobicContact CG2-CD2 4.3Å; T104-F106 HydrophobicContact CG2-CE1 4.09Å; T104-F106 HydrophobicContact CG2-CE2 3.52Å; T104-F106 HydrophobicContact CG2-CZ 3.4Å; T104-F106 VanDerWaalsContact CG2-CZ 3.4Å
105	Y	97.2	Very high	95.5	Very high	26 Å²	26	65.5 Å²	65.5	10%	0.102	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	134.1	179.5	-70.3	-96.3	0	0	0	110.9	Q26 L41 F55 Q56 L66 L92 I94 D101 G103	Q26-Y105 PolarHBondContact NE2-O 3.41Å; L41-Y105 VanDerWaalsContact CD1-CB 3.41Å; L41-Y105 HydrophobicContact CD1-CD1 4.39Å; L41-Y105 HydrophobicContact CD1-CD2 4.06Å; L41-Y105 HydrophobicContact CD1-CG 3.72Å; F55-Y105 VanDerWaalsContact O-CA 3.29Å; F55-Y105 WeakPolarHBondContact O-CA 3.47Å; Q56-Y105 HydrophobicContact CB-CD1 4.13Å; Q56-Y105 HydrophobicContact CB-CE1 3.92Å; Q56-Y105 HydrophobicContact CG-CD1 4.27Å; Q56-Y105 HydrophobicContact CG-CE1 3.83Å; Q56-Y105 HydrophobicContact CG-CE2 4.34Å; Q56-Y105 PolarHBondContact NE2-OH 3.47Å; L66-Y105 HydrophobicContact CD1-CD1 3.81Å; L66-Y105 HydrophobicContact CD1-CE1 3.72Å; L92-Y105 HydrophobicContact CD2-CD1 3.48Å; L92-Y105 VanDerWaalsContact CD2-CD1 3.48Å; L92-Y105 HydrophobicContact CD2-CE1 3.88Å; L92-Y105 HydrophobicContact CD2-CG 4.34Å; I94-Y105 HydrophobicContact CD1-CE1 4.28Å; I94-Y105 HydrophobicContact CD1-CE2 4.12Å; D101-Y105 WeakPolarHBondContact O-CE2 3.43Å; D101-Y105 PolarHBondContact O-OH 3.22Å; G103-Y105 WeakPolarHBondContact O-CD2 3.33Å
106	F	97.1	Very high	95.3	Very high	80 Å²	80	62.9 Å²	62.9	35%	0.351	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	140.1	179.4	-61.3	-83	0	0	0	110.1	W54 F55 Q57 L63 T104	W54-F106 WeakPolarHBondContact CA-O 3.36Å; F55-F106 HydrophobicContact CB-CB 4.38Å; F55-F106 PolarHBondContact N-O 3.42Å; F55-F106 PolarHBondContact O-N 3.4Å; Q57-F106 HydrophobicContact CB-CE2 3.96Å; L63-F106 HydrophobicContact CD2-CD2 3.58Å; L63-F106 HydrophobicContact CD2-CE2 3.87Å; T104-F106 HydrophobicContact CG2-CD2 4.3Å; T104-F106 HydrophobicContact CG2-CE1 4.09Å; T104-F106 HydrophobicContact CG2-CE2 3.52Å; T104-F106 HydrophobicContact CG2-CZ 3.4Å; T104-F106 VanDerWaalsContact CG2-CZ 3.4Å
107	C	97.5	Very high	95.2	Very high	14 Å²	14	61.7 Å²	61.7	10%	0.095	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	146.5	162.4	68.1	0	0	0	0	110.4	V24 Q26 C43 Q53 W54	V24-C107 VanDerWaalsContact CG1-SG 3.53Å; Q26-C107 HydrophobicContact CG-CB 4.44Å; Q26-C107 WeakPolarHBondContact CG-SG 3.18Å; Q26-C107 PolarHBondContact OE1-SG 3.37Å; Q26-C107 VanDerWaalsContact OE1-SG 3.36Å; C43-C107 HydrophobicContact CB-CB 3.56Å; C43-C107 WeakPolarHBondContact CB-SG 3.46Å; C43-C107 WeakPolarHBondContact SG-CB 3.35Å; C43-C107 CovalentContact SG-SG 2.02Å; C43-C107 PolarHBondContact SG-SG 3.32Å; Q53-C107 CarbonylContact O-C 3.6Å; Q53-C107 VanDerWaalsContact O-CA 3.27Å; Q53-C107 WeakPolarHBondContact O-CA 3.37Å; W54-C107 HydrophobicContact CD2-CB 4.05Å; W54-C107 HydrophobicContact CE3-CB 3.91Å; W54-C107 HydrophobicContact CH2-CB 3.92Å; W54-C107 HydrophobicContact CZ2-CB 4.03Å; W54-C107 HydrophobicContact CZ3-CB 3.84Å
108	A	96	Very high	95	Very high	42 Å²	42	65.9 Å²	65.9	35%	0.347	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	144.9	167.9	0	0	0	0	0	108.4	V52 Q53 F55	V52-A108 CarbonylContact C-O 3.5Å; V52-A108 WeakPolarHBondContact CA-O 3.29Å; V52-A108 WeakPolarHBondContact CG2-O 3.25Å; Q53-A108 PolarHBondContact N-O 2.66Å; Q53-A108 PolarHBondContact O-N 2.83Å; F55-A108 HydrophobicContact CE2-CB 4.16Å
109	A	95.1	Very high	94.9	Very high	28 Å²	28	66.7 Å²	66.7	23%	0.231	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	151.6	176.6	0	0	0	0	0	111.2	F45 M49 A51 V52	F45-A109 HydrophobicContact CD1-CB 3.68Å; F45-A109 HydrophobicContact CE1-CB 3.21Å; F45-A109 HydrophobicContact CE2-CB 4.3Å; F45-A109 HydrophobicContact CG-CB 4.37Å; F45-A109 HydrophobicContact CZ-CB 3.59Å; M49-A109 HydrophobicContact CB-CB 3.94Å; M49-A109 HydrophobicContact CG-CB 3.56Å; M49-A109 HydrophobicContact SD-CB 3.96Å; A51-A109 VanDerWaalsContact O-CA 3.27Å; A51-A109 WeakPolarHBondContact O-CA 3.17Å; A51-A109 WeakPolarHBondContact O-CB 3.36Å; V52-A109 HydrophobicContact CB-CB 4.47Å; V52-A109 HydrophobicContact CG2-CB 4.44Å
110	E	91.4	Very high	95	Very high	133 Å²	133	61.9 Å²	61.9	62%	0.621	37%	0.366	S	S	*	.			trans	-142.4	0	-176.4	63.9	174.9	-175.5	0	0	111.2	M49 R50 A51 Y68	M49-E110 CarbonylContact C-O 3.54Å; R50-E110 CarbonylContact C-O 3.57Å; R50-E110 WeakPolarHBondContact CA-O 3.21Å; R50-E110 WeakPolarHBondContact CB-O 3.43Å; R50-E110 PolarHBondContact N-O 3.04Å; A51-E110 HydrophobicContact CB-CG 4.09Å; A51-E110 PolarHBondContact N-O 3.3Å; A51-E110 PolarHBondContact O-N 2.66Å; A51-E110 VanDerWaalsContact O-N 3.09Å; Y68-E110 PolarHBondContact OH-OE1 2.87Å

Retrieved 110 of 110 residues in 105.4 ms (Link to these results)

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