A0A075B615_MOUSE Loading...

T cell receptor alpha variable 4D-4

AlphaFold DB , UniProt , Accession A0A075B615, Species MOUSE (Mus musculus, Mouse), Gene Trav4d-4, Length 110 aa.

						>A0A075B615_MOUSE|A0A075B615|Trav4d-4
MQRNLGAVLGILWVQICWVRGDQVEQSPSALSLHEGTGSALRCNFTTTMRAVQWFRKNSRGSLINLFYLASGTKENGRLKSAFDSKERYSTLHIRDAQLEDSGTYFCAAE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.7	Low	73.1	Confident	224 Å²	224	114.9 Å²	114.9	100%	1.103	62%	0.616	S	S	*	*				0	-19.4	0	-154.4	164.2	117.9	0	0	114.2
2	Q	60.4	Low	73.4	Confident	175 Å²	175	113.8 Å²	113.8	82%	0.818	61%	0.609	S	S	*	*	H	α-helix	trans	-70	-33.6	-178.7	-74.1	-177.7	-32.8	0	0	115.5	N4 L5 G6	Q2-N4 VanDerWaalsContact C-N 3.31Å; Q2-N4 PolarHBondContact O-N 3.16Å; Q2-L5 PolarHBondContact O-N 3.34Å; Q2-L5 VanDerWaalsContact O-N 3.16Å; Q2-G6 PolarHBondContact O-N 3.47Å
3	R	62.9	Low	73.6	Confident	225 Å²	225	118.5 Å²	118.5	85%	0.849	61%	0.613	S	S	*	*	H	α-helix	trans	-62.1	-36.4	-177.4	-168.3	172.4	66.7	-162.5	1.8	113.3	A7	R3-A7 PolarHBondContact O-N 3.31Å
4	N	74.1	Confident	73.9	Confident	113 Å²	113	115.8 Å²	115.8	60%	0.604	60%	0.604	S	S	*	*	H	α-helix	trans	-71.8	-33.8	178.2	-67.5	5.4	0	0	0	111.3	Q2 A7 V8	Q2-N4 VanDerWaalsContact C-N 3.31Å; Q2-N4 PolarHBondContact O-N 3.16Å; N4-A7 PolarHBondContact O-N 2.91Å; N4-V8 VanDerWaalsContact O-CG2 3.23Å; N4-V8 WeakPolarHBondContact O-CG2 3.48Å; N4-V8 PolarHBondContact O-N 3.4Å
5	L	72.9	Confident	74	Confident	109 Å²	109	116.1 Å²	116.1	57%	0.571	60%	0.601	S	S	*	*	H	α-helix	trans	-65.8	-41.3	179.3	-173.6	62.6	0	0	0	111.8	Q2 V8 L9	Q2-L5 PolarHBondContact O-N 3.34Å; Q2-L5 VanDerWaalsContact O-N 3.16Å; L5-V8 PolarHBondContact O-N 3.02Å; L5-L9 HydrophobicContact CD1-CD1 4.44Å; L5-L9 HydrophobicContact CG-CD1 4Å; L5-L9 WeakPolarHBondContact O-CB 3.32Å; L5-L9 WeakPolarHBondContact O-CD1 3.27Å; L5-L9 VanDerWaalsContact O-CG 3.27Å; L5-L9 WeakPolarHBondContact O-CG 3.23Å; L5-L9 PolarHBondContact O-N 3.45Å
6	G	76.6	Confident	73.7	Confident	46 Å²	46	115.5 Å²	115.5	47%	0.474	60%	0.598	S	S	.	*	H	α-helix	trans	-64.1	-40.5	177.2	0	0	0	0	0	113.5	Q2 G10	Q2-G6 PolarHBondContact O-N 3.47Å; G6-G10 PolarHBondContact O-N 2.95Å
7	A	81	Confident	73.7	Confident	56 Å²	56	115.1 Å²	115.1	46%	0.463	61%	0.606	S	S	.	*	H	α-helix	trans	-66.9	-43.1	175.6	0	0	0	0	0	112	R3 N4 G10 I11	R3-A7 PolarHBondContact O-N 3.31Å; N4-A7 PolarHBondContact O-N 2.91Å; A7-G10 PolarHBondContact O-N 2.92Å; A7-I11 VanDerWaalsContact O-CG1 3.27Å; A7-I11 WeakPolarHBondContact O-CG1 3.27Å; A7-I11 PolarHBondContact O-N 3.43Å
8	V	81	Confident	73.7	Confident	91 Å²	91	118.8 Å²	118.8	55%	0.552	61%	0.61	S	S	*	*	H	α-helix	trans	-62.5	-44.3	176.3	171.7	0	0	0	0	111	N4 L5 I11 L12	N4-V8 VanDerWaalsContact O-CG2 3.23Å; N4-V8 WeakPolarHBondContact O-CG2 3.48Å; N4-V8 PolarHBondContact O-N 3.4Å; L5-V8 PolarHBondContact O-N 3.02Å; V8-I11 PolarHBondContact O-N 2.94Å; V8-L12 VanDerWaalsContact O-CB 3.32Å; V8-L12 WeakPolarHBondContact O-CB 3.41Å; V8-L12 PolarHBondContact O-N 3.31Å
9	L	80.6	Confident	73.8	Confident	82 Å²	82	119.3 Å²	119.3	43%	0.429	62%	0.619	S	S	.	*	H	α-helix	trans	-59.5	-48.6	174.5	-74.9	163.4	0	0	0	110.9	L5 I11 L12 W13	L5-L9 HydrophobicContact CD1-CD1 4.44Å; L5-L9 HydrophobicContact CG-CD1 4Å; L5-L9 WeakPolarHBondContact O-CB 3.32Å; L5-L9 WeakPolarHBondContact O-CD1 3.27Å; L5-L9 VanDerWaalsContact O-CG 3.27Å; L5-L9 WeakPolarHBondContact O-CG 3.23Å; L5-L9 PolarHBondContact O-N 3.45Å; L9-I11 PolarHBondContact O-N 2.92Å; L9-L12 WeakPolarHBondContact O-CB 3.47Å; L9-L12 PolarHBondContact O-N 3.17Å; L9-W13 PolarHBondContact O-N 3.43Å
10	G	80.8	Confident	74.1	Confident	35 Å²	35	124.7 Å²	124.7	36%	0.361	63%	0.631	S	S	.	*	H	α-helix	trans	-58.9	-43.9	178.7	0	0	0	0	0	113.4	G6 A7 W13 V14	G6-G10 PolarHBondContact O-N 2.95Å; A7-G10 PolarHBondContact O-N 2.92Å; G10-W13 PolarHBondContact O-N 3.43Å; G10-V14 WeakPolarHBondContact O-CG2 3.37Å; G10-V14 PolarHBondContact O-N 3.44Å; G10-V14 VanDerWaalsContact O-N 3.13Å
11	I	79.6	Confident	74.5	Confident	108 Å²	108	122 Å²	122	55%	0.554	64%	0.635	S	S	*	*	H	α-helix	trans	-64.1	-42.9	175.4	-66.2	163.8	0	0	0	110.7	A7 V8 L9 W13 V14 Q15	A7-I11 VanDerWaalsContact O-CG1 3.27Å; A7-I11 WeakPolarHBondContact O-CG1 3.27Å; A7-I11 PolarHBondContact O-N 3.43Å; V8-I11 PolarHBondContact O-N 2.94Å; L9-I11 PolarHBondContact O-N 2.92Å; I11-W13 PolarHBondContact O-N 3.06Å; I11-V14 PolarHBondContact O-N 3.28Å; I11-Q15 HydrophobicContact CG2-CG 4.37Å; I11-Q15 WeakPolarHBondContact O-CG 3.29Å; I11-Q15 PolarHBondContact O-N 3.25Å
12	L	77.1	Confident	76.1	Confident	101 Å²	101	116.1 Å²	116.1	53%	0.529	61%	0.608	S	S	.	*	H	α-helix	trans	-61.3	-42.7	178.5	-169.5	72.4	0	0	0	111.6	V8 L9 Q15 I16	V8-L12 VanDerWaalsContact O-CB 3.32Å; V8-L12 WeakPolarHBondContact O-CB 3.41Å; V8-L12 PolarHBondContact O-N 3.31Å; L9-L12 WeakPolarHBondContact O-CB 3.47Å; L9-L12 PolarHBondContact O-N 3.17Å; L12-Q15 PolarHBondContact O-N 3.13Å; L12-I16 HydrophobicContact CG-CD1 4.12Å; L12-I16 VanDerWaalsContact O-CG1 3.29Å; L12-I16 WeakPolarHBondContact O-CG1 3.33Å; L12-I16 PolarHBondContact O-N 3.46Å
13	W	76.3	Confident	77.6	Confident	176 Å²	176	113.4 Å²	113.4	67%	0.667	60%	0.595	S	S	*	*	H	α-helix	trans	-60.5	-44.4	174.6	-79.5	107.4	0	0	0	112.3	L9 G10 I11 Q15 I16 C17	L9-W13 PolarHBondContact O-N 3.43Å; G10-W13 PolarHBondContact O-N 3.43Å; I11-W13 PolarHBondContact O-N 3.06Å; W13-Q15 VanDerWaalsContact C-N 3.35Å; W13-Q15 PolarHBondContact O-N 3.16Å; W13-I16 PolarHBondContact O-N 3.43Å; W13-C17 PolarHBondContact O-N 3.35Å; W13-C17 PolarHBondContact O-SG 2.99Å
14	V	78	Confident	79.2	Confident	80 Å²	80	105.4 Å²	105.4	49%	0.485	57%	0.571	S	S	.	*	H	α-helix	trans	-63.9	-39.9	178	173	0	0	0	0	111.6	G10 I11 C17 W18	G10-V14 WeakPolarHBondContact O-CG2 3.37Å; G10-V14 PolarHBondContact O-N 3.44Å; G10-V14 VanDerWaalsContact O-N 3.13Å; I11-V14 PolarHBondContact O-N 3.28Å; V14-C17 PolarHBondContact O-N 3.4Å; V14-W18 HydrophobicContact CG1-CE3 4.37Å; V14-W18 HydrophobicContact CG1-CZ3 4.33Å
15	Q	74.8	Confident	80.3	Confident	120 Å²	120	105.6 Å²	105.6	56%	0.561	57%	0.569	S	S	*	*	H	α-helix	trans	-66.3	-41	178.4	-69.9	-68.4	-58.9	0	0	112.1	I11 L12 W13 C17 W18	I11-Q15 HydrophobicContact CG2-CG 4.37Å; I11-Q15 WeakPolarHBondContact O-CG 3.29Å; I11-Q15 PolarHBondContact O-N 3.25Å; L12-Q15 PolarHBondContact O-N 3.13Å; W13-Q15 VanDerWaalsContact C-N 3.35Å; W13-Q15 PolarHBondContact O-N 3.16Å; Q15-C17 VanDerWaalsContact C-N 3.27Å; Q15-C17 PolarHBondContact O-N 3.36Å; Q15-W18 PolarHBondContact O-N 3.47Å; Q15-W18 VanDerWaalsContact O-N 3.16Å
16	I	70	Confident	81.5	Confident	107 Å²	107	103.4 Å²	103.4	55%	0.549	56%	0.555	S	S	.	*	H	α-helix	trans	-63.5	-34.4	178.9	-67.5	164.5	0	0	0	111.4	L12 W13 W18	L12-I16 HydrophobicContact CG-CD1 4.12Å; L12-I16 VanDerWaalsContact O-CG1 3.29Å; L12-I16 WeakPolarHBondContact O-CG1 3.33Å; L12-I16 PolarHBondContact O-N 3.46Å; W13-I16 PolarHBondContact O-N 3.43Å; I16-W18 PolarHBondContact O-N 3.19Å
17	C	73.1	Confident	82.5	Confident	108 Å²	108	103.3 Å²	103.3	73%	0.73	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-11.6	178	-70.9	0	0	0	0	114.6	W13 V14 Q15	W13-C17 PolarHBondContact O-N 3.35Å; W13-C17 PolarHBondContact O-SG 2.99Å; V14-C17 PolarHBondContact O-N 3.4Å; Q15-C17 VanDerWaalsContact C-N 3.27Å; Q15-C17 PolarHBondContact O-N 3.36Å
18	W	74.3	Confident	83.3	Confident	182 Å²	182	103.4 Å²	103.4	69%	0.689	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	1.4	-172.1	-122.1	-37.7	0	0	0	115.7	V14 Q15 I16 R20	V14-W18 HydrophobicContact CG1-CE3 4.37Å; V14-W18 HydrophobicContact CG1-CZ3 4.33Å; Q15-W18 PolarHBondContact O-N 3.47Å; Q15-W18 VanDerWaalsContact O-N 3.16Å; I16-W18 PolarHBondContact O-N 3.19Å; W18-R20 PolarHBondContact O-N 3.45Å; W18-R20 VanDerWaalsContact O-N 3.12Å
19	V	75.2	Confident	84.1	Confident	128 Å²	128	105.2 Å²	105.2	78%	0.776	56%	0.56	S	S	*	*			trans	-74.8	106.6	175	-175.2	0	0	0	0	109.2
20	R	79.7	Confident	84.8	Confident	227 Å²	227	105.2 Å²	105.2	86%	0.857	57%	0.572	S	S	*	*			trans	-107.5	122.7	166.8	-67.8	-175.1	179.3	-174.5	-0.5	108.3	W18	W18-R20 PolarHBondContact O-N 3.45Å; W18-R20 VanDerWaalsContact O-N 3.12Å
21	G	82.1	Confident	85.5	Confident	70 Å²	70	107.4 Å²	107.4	72%	0.722	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-84.7	152.7	166.8	0	0	0	0	0	110.4
22	D	88.3	Confident	86.3	Confident	100 Å²	100	107.9 Å²	107.9	54%	0.535	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-65.9	140.4	164.1	-68.6	-63.1	0	0	0	109.7	T47 M49	D22-T47 VanDerWaalsContact CG-OG1 3.25Å; D22-T47 WeakPolarHBondContact OD1-CG2 3.5Å; D22-T47 PolarHBondContact OD1-OG1 3.02Å; D22-M49 HydrophobicContact CB-CE 3.54Å
23	Q	92	Very high	87.2	Confident	117 Å²	117	106 Å²	106	55%	0.547	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-91	134.6	-176.7	177.6	-175.9	-30.3	0	0	110.5	T46	Q23-T46 HydrophobicContact CB-CG2 3.67Å; Q23-T46 HydrophobicContact CG-CG2 4.31Å; Q23-T46 PolarHBondContact N-OG1 2.94Å; Q23-T46 VanDerWaalsContact N-OG1 3.12Å; Q23-T46 PolarHBondContact O-N 3.12Å; Q23-T46 VanDerWaalsContact O-N 3.11Å; Q23-T46 PolarHBondContact O-OG1 2.73Å
24	V	95.8	Very high	88.1	Confident	57 Å²	57	105 Å²	105	35%	0.345	58%	0.581	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.9	126.8	176.9	-176.3	0	0	0	0	108.6	C43 N44 F45 C107	V24-C43 WeakPolarHBondContact CG1-SG 3.19Å; V24-N44 WeakPolarHBondContact CA-O 3.39Å; V24-F45 HydrophobicContact CG1-CD1 4.06Å; V24-F45 HydrophobicContact CG1-CE1 4Å; V24-F45 HydrophobicContact CG2-CD1 4.07Å; V24-F45 HydrophobicContact CG2-CE1 4.49Å; V24-C107 WeakPolarHBondContact CG1-SG 3.47Å
25	E	97.3	Very high	89.1	Confident	118 Å²	118	106.6 Å²	106.6	55%	0.551	58%	0.583	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-122	122.8	-179.6	-172	-177.5	161.5	0	0	111.1	C43 N44	E25-C43 CarbonylContact O-C 3.49Å; E25-C43 WeakPolarHBondContact O-CA 3.5Å; E25-N44 PolarHBondContact N-O 3.38Å; E25-N44 PolarHBondContact O-N 2.93Å
26	Q	98.1	Very high	90.2	Very high	62 Å²	62	103 Å²	103	29%	0.29	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100	134.6	177.6	-74.5	-174.2	-117.2	0	0	112.2	R42 C43 Y105 C107	Q26-R42 CarbonylContact C-O 3.56Å; Q26-R42 VanDerWaalsContact CA-O 3.27Å; Q26-R42 WeakPolarHBondContact CA-O 3.25Å; Q26-C43 HydrophobicContact CG-CB 4.38Å; Q26-Y105 PolarHBondContact NE2-O 3.33Å; Q26-C107 HydrophobicContact CG-CB 4.4Å; Q26-C107 WeakPolarHBondContact CG-SG 3.28Å; Q26-C107 PolarHBondContact OE1-SG 2.99Å
27	S	98.1	Very high	91.5	Very high	45 Å²	45	100.5 Å²	100.5	32%	0.315	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-141.1	147.6	175.5	63	0	0	0	0	113	R42	S27-R42 PolarHBondContact N-O 2.83Å; S27-R42 PolarHBondContact O-N 3.45Å
28	P	97.8	Very high	92.7	Very high	58 Å²	58	97.4 Å²	97.4	38%	0.377	56%	0.555	S	S	.	*			cis	-66.2	159.2	-14.9	32.6	-36.9	0	0	0	111.5	A30 L31 L41	P28-A30 VanDerWaalsContact C-N 3.32Å; P28-L31 HydrophobicContact CG-CB 4.25Å; P28-L31 HydrophobicContact CG-CD1 4.3Å; P28-L41 HydrophobicContact CG-CD2 4.49Å
29	S	96.3	Very high	93.8	Very high	128 Å²	128	90.2 Å²	90.2	90%	0.895	53%	0.532	S	S	*	.	S	Bend	trans	-71.2	-28.3	178.5	55	0	0	0	0	113.1
30	A	96.7	Very high	94.9	Very high	83 Å²	83	85.7 Å²	85.7	69%	0.686	51%	0.508	S	S	*	.	S	Bend	trans	-143.8	148.6	174.3	0	0	0	0	0	109.5	P28	P28-A30 VanDerWaalsContact C-N 3.32Å
31	L	95.3	Very high	95.8	Very high	81 Å²	81	76.1 Å²	76.1	42%	0.424	47%	0.474	S	S	.	.			trans	-143.2	135	-176.7	-178.1	67.4	0	0	0	109.3	P28 L33 S39	P28-L31 HydrophobicContact CG-CB 4.25Å; P28-L31 HydrophobicContact CG-CD1 4.3Å; L31-L33 HydrophobicContact CD1-CD2 3.87Å; L31-L33 HydrophobicContact CD1-CG 4.48Å; L31-L33 HydrophobicContact CD2-CD1 3.82Å; L31-L33 HydrophobicContact CD2-CD2 3.89Å; L31-L33 HydrophobicContact CD2-CG 3.88Å; L31-L33 HydrophobicContact CG-CD1 4.34Å; L31-L33 HydrophobicContact CG-CD2 3.79Å; L31-L33 HydrophobicContact CG-CG 3.85Å; L31-S39 WeakPolarHBondContact CD2-OG 3.35Å
32	S	96.6	Very high	96.5	Very high	118 Å²	118	77.8 Å²	77.8	83%	0.825	46%	0.458	S	S	*	.			trans	-117.8	126.4	172	-173.8	0	0	0	0	108.4
33	L	94.6	Very high	97	Very high	62 Å²	62	73 Å²	73	33%	0.325	43%	0.433	S	S	.	.			trans	-125.2	149.2	-176.7	-60	178.4	0	0	0	110.2	L31 I94 A97	L31-L33 HydrophobicContact CD1-CD2 3.87Å; L31-L33 HydrophobicContact CD1-CG 4.48Å; L31-L33 HydrophobicContact CD2-CD1 3.82Å; L31-L33 HydrophobicContact CD2-CD2 3.89Å; L31-L33 HydrophobicContact CD2-CG 3.88Å; L31-L33 HydrophobicContact CG-CD1 4.34Å; L31-L33 HydrophobicContact CG-CD2 3.79Å; L31-L33 HydrophobicContact CG-CG 3.85Å; L33-I94 HydrophobicContact CD1-CG2 4.09Å; L33-A97 HydrophobicContact CB-CB 4.39Å; L33-A97 HydrophobicContact CD1-CB 4.14Å
34	H	97.2	Very high	97.3	Very high	154 Å²	154	69.5 Å²	69.5	71%	0.713	42%	0.418	S	S	*	.			trans	-83.8	147	165.3	-65.7	89.6	0	0	0	109.1	T37	H34-T37 HydrophobicContact CB-CG2 3.95Å; H34-T37 PolarHBondContact N-OG1 2.89Å; H34-T37 WeakPolarHBondContact O-CB 3.19Å; H34-T37 PolarHBondContact O-N 3.19Å; H34-T37 VanDerWaalsContact O-N 3.15Å; H34-T37 PolarHBondContact O-OG1 2.95Å
35	E	97.6	Very high	97.3	Very high	113 Å²	113	67.4 Å²	67.4	53%	0.528	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	145.1	173.2	-72.1	177.1	-131	0	0	111.2	T37 A97 L99	E35-T37 PolarHBondContact O-N 3.27Å; E35-A97 CarbonylContact C-O 3.46Å; E35-A97 WeakPolarHBondContact CA-O 3.39Å; E35-L99 HydrophobicContact CG-CD2 4.46Å; E35-L99 HydrophobicContact CG-CG 4.37Å; E35-L99 WeakPolarHBondContact OE1-CD1 3.4Å; E35-L99 WeakPolarHBondContact OE1-CD2 3.39Å; E35-L99 WeakPolarHBondContact OE1-CG 3.47Å
36	G	97.9	Very high	97.2	Very high	45 Å²	45	65 Å²	65	46%	0.464	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	-11	-175.9	0	0	0	0	0	115.4	D96 A97	G36-D96 WeakPolarHBondContact CA-OD1 3.4Å; G36-A97 PolarHBondContact N-O 2.84Å
37	T	98.1	Very high	97.1	Very high	54 Å²	54	64.6 Å²	64.6	33%	0.331	40%	0.399	S	S	.	.			trans	-87.3	167.5	177.2	69.6	0	0	0	0	112.4	H34 E35 D96 A97	H34-T37 HydrophobicContact CB-CG2 3.95Å; H34-T37 PolarHBondContact N-OG1 2.89Å; H34-T37 WeakPolarHBondContact O-CB 3.19Å; H34-T37 PolarHBondContact O-N 3.19Å; H34-T37 VanDerWaalsContact O-N 3.15Å; H34-T37 PolarHBondContact O-OG1 2.95Å; E35-T37 PolarHBondContact O-N 3.27Å; T37-D96 PolarHBondContact O-N 3.36Å; T37-A97 VanDerWaalsContact O-CB 3.31Å; T37-A97 WeakPolarHBondContact O-CB 3.48Å; T37-A97 PolarHBondContact O-N 2.86Å
38	G	97.3	Very high	96.9	Very high	44 Å²	44	66.4 Å²	66.4	45%	0.454	41%	0.408	S	S	.	.			trans	-125.7	153.9	176.8	0	0	0	0	0	112.4	I94	G38-I94 CarbonylContact C-O 3.58Å; G38-I94 WeakPolarHBondContact CA-O 3.31Å
39	S	97.5	Very high	96.8	Very high	30 Å²	30	63.8 Å²	63.8	21%	0.21	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	177.2	177.1	-166.1	0	0	0	0	111.4	L31 H93 I94	L31-S39 WeakPolarHBondContact CD2-OG 3.35Å; S39-H93 WeakPolarHBondContact O-CA 3.18Å; S39-I94 PolarHBondContact N-O 2.93Å; S39-I94 PolarHBondContact O-N 3.37Å
40	A	98.1	Very high	96.8	Very high	33 Å²	33	67.5 Å²	67.5	27%	0.273	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	141.4	-178.7	0	0	0	0	0	112.4	L92 H93	A40-L92 CarbonylContact C-O 3.59Å; A40-L92 VanDerWaalsContact CA-O 3.3Å; A40-L92 WeakPolarHBondContact CA-O 3.48Å; A40-H93 WeakPolarHBondContact CB-ND1 3.25Å
41	L	98.5	Very high	96.9	Very high	27 Å²	27	63.6 Å²	63.6	14%	0.141	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	144.2	157.2	-59.6	172.9	0	0	0	108.6	P28 W54 T91 L92 Y105	P28-L41 HydrophobicContact CG-CD2 4.49Å; L41-W54 HydrophobicContact CB-CH2 3.8Å; L41-W54 HydrophobicContact CB-CZ3 3.96Å; L41-W54 HydrophobicContact CD1-CZ3 4.22Å; L41-T91 CarbonylContact O-C 3.59Å; L41-T91 WeakPolarHBondContact O-CA 3.44Å; L41-L92 HydrophobicContact CB-CB 4.46Å; L41-L92 HydrophobicContact CD1-CD2 4.46Å; L41-L92 PolarHBondContact N-O 2.84Å; L41-L92 PolarHBondContact O-N 2.73Å; L41-Y105 VanDerWaalsContact CD1-CB 3.45Å; L41-Y105 HydrophobicContact CD1-CD2 4.23Å; L41-Y105 HydrophobicContact CD1-CG 3.91Å
42	R	98.5	Very high	97	Very high	104 Å²	104	59.8 Å²	59.8	39%	0.392	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	139.9	174.6	-175.3	171.8	174.4	150.3	1.6	109.3	Q26 S27 N44 Y89 S90 T91	Q26-R42 CarbonylContact C-O 3.56Å; Q26-R42 VanDerWaalsContact CA-O 3.27Å; Q26-R42 WeakPolarHBondContact CA-O 3.25Å; S27-R42 PolarHBondContact N-O 2.83Å; S27-R42 PolarHBondContact O-N 3.45Å; R42-N44 PolarHBondContact NE-OD1 2.92Å; R42-N44 PolarHBondContact NH2-OD1 2.8Å; R42-Y89 VanDerWaalsContact NH2-CD1 3.34Å; R42-S90 CarbonylContact C-O 3.51Å; R42-S90 WeakPolarHBondContact CA-O 3.3Å; R42-T91 HydrophobicContact CB-CG2 4.37Å; R42-T91 HydrophobicContact CG-CG2 4.26Å
43	C	98.3	Very high	97.1	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	114.2	177.3	-177.1	0	0	0	0	107.3	V24 E25 Q26 F45 W54 Y89 S90 C107	V24-C43 WeakPolarHBondContact CG1-SG 3.19Å; E25-C43 CarbonylContact O-C 3.49Å; E25-C43 WeakPolarHBondContact O-CA 3.5Å; Q26-C43 HydrophobicContact CG-CB 4.38Å; C43-F45 HydrophobicContact CB-CE1 4.4Å; C43-F45 HydrophobicContact CB-CZ 4.4Å; C43-F45 WeakPolarHBondContact SG-CE1 3.25Å; C43-W54 HydrophobicContact CB-CH2 3.78Å; C43-W54 HydrophobicContact CB-CZ2 3.61Å; C43-Y89 CarbonylContact O-C 3.53Å; C43-Y89 WeakPolarHBondContact O-CA 3.4Å; C43-Y89 WeakPolarHBondContact O-CB 3.28Å; C43-S90 PolarHBondContact N-O 2.87Å; C43-S90 PolarHBondContact O-N 2.81Å; C43-C107 HydrophobicContact CB-CB 3.57Å; C43-C107 WeakPolarHBondContact CB-SG 3.4Å; C43-C107 WeakPolarHBondContact SG-CB 3.43Å; C43-C107 CovalentContact SG-SG 2.02Å; C43-C107 PolarHBondContact SG-SG 3.26Å
44	N	98	Very high	97.3	Very high	43 Å²	43	54.2 Å²	54.2	23%	0.23	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	148	-180	-60.3	-76.1	0	0	0	110.3	V24 E25 R42	V24-N44 WeakPolarHBondContact CA-O 3.39Å; E25-N44 PolarHBondContact N-O 3.38Å; E25-N44 PolarHBondContact O-N 2.93Å; R42-N44 PolarHBondContact NE-OD1 2.92Å; R42-N44 PolarHBondContact NH2-OD1 2.8Å
45	F	96.7	Very high	97.3	Very high	14 Å²	14	48.5 Å²	48.5	6%	0.061	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	143.6	-177.1	-43.7	-59.3	0	0	0	110.4	V24 C43 T47 M49 V52 F83 R88 A109	V24-F45 HydrophobicContact CG1-CD1 4.06Å; V24-F45 HydrophobicContact CG1-CE1 4Å; V24-F45 HydrophobicContact CG2-CD1 4.07Å; V24-F45 HydrophobicContact CG2-CE1 4.49Å; C43-F45 HydrophobicContact CB-CE1 4.4Å; C43-F45 HydrophobicContact CB-CZ 4.4Å; C43-F45 WeakPolarHBondContact SG-CE1 3.25Å; F45-T47 VanDerWaalsContact C-N 3.31Å; F45-T47 VanDerWaalsContact CB-O 3.32Å; F45-T47 WeakPolarHBondContact CB-O 3.43Å; F45-M49 HydrophobicContact CB-CE 3.91Å; F45-M49 HydrophobicContact CB-CG 3.82Å; F45-M49 HydrophobicContact CD1-CE 4.28Å; F45-M49 HydrophobicContact CD1-CG 3.95Å; F45-M49 HydrophobicContact CD2-CB 4.28Å; F45-M49 HydrophobicContact CD2-CG 3.74Å; F45-M49 HydrophobicContact CE1-CG 4.46Å; F45-M49 HydrophobicContact CE2-CG 4.32Å; F45-M49 HydrophobicContact CG-CE 4.28Å; F45-M49 HydrophobicContact CG-CG 3.54Å; F45-V52 HydrophobicContact CZ-CB 4.28Å; F45-V52 HydrophobicContact CZ-CG2 3.88Å; F45-F83 HydrophobicContact CD2-CE2 4.38Å; F45-F83 HydrophobicContact CE2-CD2 4.09Å; F45-F83 AromaticContact CE2-CE2 3.69Å; F45-F83 HydrophobicContact CE2-CE2 3.69Å; F45-F83 HydrophobicContact CZ-CE2 4.48Å; F45-R88 HydrophobicContact CB-CB 4.25Å; F45-R88 WeakPolarHBondContact CD2-O 3.43Å; F45-R88 PolarHBondContact N-O 2.8Å; F45-R88 WeakPolarHBondContact O-CB 3.27Å; F45-A109 HydrophobicContact CD1-CB 3.79Å; F45-A109 HydrophobicContact CE1-CB 3.28Å; F45-A109 HydrophobicContact CE2-CB 4.49Å; F45-A109 HydrophobicContact CZ-CB 3.71Å
46	T	94.8	Very high	97.3	Very high	68 Å²	68	46.2 Å²	46.2	42%	0.417	25%	0.252	S	S	.	.	S	Bend	trans	-71.1	-29.7	173.7	45.5	0	0	0	0	113	Q23 R88	Q23-T46 HydrophobicContact CB-CG2 3.67Å; Q23-T46 HydrophobicContact CG-CG2 4.31Å; Q23-T46 PolarHBondContact N-OG1 2.94Å; Q23-T46 VanDerWaalsContact N-OG1 3.12Å; Q23-T46 PolarHBondContact O-N 3.12Å; Q23-T46 VanDerWaalsContact O-N 3.11Å; Q23-T46 PolarHBondContact O-OG1 2.73Å; T46-R88 PolarHBondContact O-NH1 2.63Å
47	T	94.4	Very high	97.3	Very high	52 Å²	52	48.7 Å²	48.7	32%	0.319	25%	0.25	S	S	.	.	S	Bend	trans	-127.1	168.7	-175.6	55.3	0	0	0	0	110.5	D22 F45 M49	D22-T47 VanDerWaalsContact CG-OG1 3.25Å; D22-T47 WeakPolarHBondContact OD1-CG2 3.5Å; D22-T47 PolarHBondContact OD1-OG1 3.02Å; F45-T47 VanDerWaalsContact C-N 3.31Å; F45-T47 VanDerWaalsContact CB-O 3.32Å; F45-T47 WeakPolarHBondContact CB-O 3.43Å; T47-M49 PolarHBondContact O-N 3.2Å
48	T	95	Very high	97	Very high	83 Å²	83	47.6 Å²	47.6	51%	0.509	24%	0.243	S	C	.	.			trans	-72.1	120.7	176.2	-67.4	0	0	0	0	109.5	S85	T48-S85 WeakPolarHBondContact CG2-OG 3.36Å
49	M	95.5	Very high	96.6	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.02	27%	0.265	C	S	.	.			trans	-95	151.1	178	-59.7	-65.4	177.6	0	0	110.6	D22 F45 T47 F83 S85 A109 E110	D22-M49 HydrophobicContact CB-CE 3.54Å; F45-M49 HydrophobicContact CB-CE 3.91Å; F45-M49 HydrophobicContact CB-CG 3.82Å; F45-M49 HydrophobicContact CD1-CE 4.28Å; F45-M49 HydrophobicContact CD1-CG 3.95Å; F45-M49 HydrophobicContact CD2-CB 4.28Å; F45-M49 HydrophobicContact CD2-CG 3.74Å; F45-M49 HydrophobicContact CE1-CG 4.46Å; F45-M49 HydrophobicContact CE2-CG 4.32Å; F45-M49 HydrophobicContact CG-CE 4.28Å; F45-M49 HydrophobicContact CG-CG 3.54Å; T47-M49 PolarHBondContact O-N 3.2Å; M49-F83 HydrophobicContact CB-CE2 4.28Å; M49-F83 HydrophobicContact CB-CZ 3.98Å; M49-F83 WeakPolarHBondContact O-CZ 3.47Å; M49-S85 WeakPolarHBondContact O-CB 3.35Å; M49-S85 PolarHBondContact O-OG 3.03Å; M49-A109 HydrophobicContact CB-CB 3.98Å; M49-A109 HydrophobicContact CE-CB 4.49Å; M49-A109 HydrophobicContact CG-CB 3.6Å; M49-A109 HydrophobicContact SD-CB 3.96Å; M49-E110 CarbonylContact C-O 3.54Å
50	R	96.7	Very high	96.3	Very high	205 Å²	205	60.6 Å²	60.6	77%	0.774	29%	0.294	S	S	*	.	S	Bend	trans	-85.3	-33.9	173.9	-63.6	177.9	178.9	167	2.2	112.3	A70 E110	R50-A70 WeakPolarHBondContact O-CA 3.46Å; R50-E110 CarbonylContact C-O 3.56Å; R50-E110 WeakPolarHBondContact CA-O 3.08Å; R50-E110 WeakPolarHBondContact CB-O 3.4Å; R50-E110 PolarHBondContact N-O 2.74Å
51	A	97.8	Very high	96	Very high	2 Å²	2	60.9 Å²	60.9	2%	0.017	30%	0.299	C	S	.	.			trans	-149.7	160.5	178.7	0	0	0	0	0	112.2	Y68 L69 A109 E110	A51-Y68 HydrophobicContact CB-CE1 4.49Å; A51-Y68 HydrophobicContact CB-CE2 3.72Å; A51-L69 CarbonylContact C-O 3.56Å; A51-L69 WeakPolarHBondContact CA-O 3.39Å; A51-A109 VanDerWaalsContact O-CA 3.25Å; A51-A109 WeakPolarHBondContact O-CA 3.25Å; A51-A109 WeakPolarHBondContact O-CB 3.35Å; A51-E110 HydrophobicContact CB-CG 4.24Å; A51-E110 PolarHBondContact N-O 3.46Å; A51-E110 PolarHBondContact O-N 3.45Å; A51-E110 VanDerWaalsContact O-N 3.09Å
52	V	98.2	Very high	95.9	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.006	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	145.7	171.8	67.7	0	0	0	0	110.5	F45 Y68 L69 F83 S90 A108 A109	F45-V52 HydrophobicContact CZ-CB 4.28Å; F45-V52 HydrophobicContact CZ-CG2 3.88Å; V52-Y68 WeakPolarHBondContact O-CA 3.02Å; V52-L69 HydrophobicContact CG1-CB 4.03Å; V52-L69 HydrophobicContact CG1-CD1 3.92Å; V52-L69 PolarHBondContact N-O 2.91Å; V52-L69 PolarHBondContact O-N 3.11Å; V52-F83 HydrophobicContact CB-CD2 4.17Å; V52-F83 HydrophobicContact CB-CE2 4.47Å; V52-F83 HydrophobicContact CB-CG 4.3Å; V52-F83 HydrophobicContact CG1-CB 3.6Å; V52-F83 HydrophobicContact CG1-CD1 4.06Å; V52-F83 HydrophobicContact CG1-CD2 3.81Å; V52-F83 HydrophobicContact CG1-CG 3.54Å; V52-S90 WeakPolarHBondContact CG1-OG 3.2Å; V52-A108 CarbonylContact C-O 3.49Å; V52-A108 WeakPolarHBondContact CA-O 3.42Å; V52-A108 WeakPolarHBondContact CG2-O 3.32Å; V52-A109 HydrophobicContact CB-CB 4.48Å; V52-A109 HydrophobicContact CG2-CB 4.42Å
53	Q	98.3	Very high	95.7	Very high	63 Å²	63	61.8 Å²	61.8	29%	0.294	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	137	171.5	-70.6	178.1	-39	0	0	110.6	F55 F67 Y68 C107 A108	Q53-F55 HydrophobicContact CB-CD2 4.27Å; Q53-F55 HydrophobicContact CB-CE2 3.41Å; Q53-F55 VanDerWaalsContact CB-CE2 3.41Å; Q53-F55 HydrophobicContact CB-CZ 3.66Å; Q53-F55 HydrophobicContact CG-CE2 4.48Å; Q53-F55 HydrophobicContact CG-CZ 4.31Å; Q53-F67 VanDerWaalsContact CA-O 3.25Å; Q53-F67 WeakPolarHBondContact CA-O 3.49Å; Q53-Y68 HydrophobicContact CG-CD2 3.51Å; Q53-Y68 HydrophobicContact CG-CE2 4.34Å; Q53-Y68 HydrophobicContact CG-CG 4.37Å; Q53-C107 CarbonylContact O-C 3.53Å; Q53-C107 VanDerWaalsContact O-CA 3.28Å; Q53-C107 WeakPolarHBondContact O-CA 3.38Å; Q53-A108 PolarHBondContact N-O 3.4Å; Q53-A108 PolarHBondContact O-N 2.86Å
54	W	98.6	Very high	95.7	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	135.6	169.6	-76.5	96.3	0	0	0	109.9	L41 C43 L66 F67 S81 S90 L92 F106 C107	L41-W54 HydrophobicContact CB-CH2 3.8Å; L41-W54 HydrophobicContact CB-CZ3 3.96Å; L41-W54 HydrophobicContact CD1-CZ3 4.22Å; C43-W54 HydrophobicContact CB-CH2 3.78Å; C43-W54 HydrophobicContact CB-CZ2 3.61Å; W54-L66 HydrophobicContact CB-CB 4.33Å; W54-L66 WeakPolarHBondContact O-CB 3.37Å; W54-L66 PolarHBondContact O-N 3.29Å; W54-F67 PolarHBondContact N-O 3.13Å; W54-F67 PolarHBondContact O-N 2.72Å; W54-S81 PolarHBondContact NE1-OG 3.48Å; W54-S90 PolarHBondContact NE1-OG 2.9Å; W54-L92 HydrophobicContact CB-CD2 4.38Å; W54-L92 HydrophobicContact CD2-CB 3.56Å; W54-L92 HydrophobicContact CD2-CD2 4.05Å; W54-L92 HydrophobicContact CD2-CG 4.3Å; W54-L92 HydrophobicContact CE3-CB 3.71Å; W54-L92 HydrophobicContact CE3-CD2 3.69Å; W54-L92 HydrophobicContact CE3-CG 4.31Å; W54-L92 HydrophobicContact CG-CB 4.09Å; W54-L92 HydrophobicContact CG-CD1 4.44Å; W54-L92 HydrophobicContact CG-CD2 4.36Å; W54-L92 HydrophobicContact CH2-CB 3.99Å; W54-L92 HydrophobicContact CZ2-CB 3.87Å; W54-L92 HydrophobicContact CZ3-CB 3.92Å; W54-L92 HydrophobicContact CZ3-CD2 4.27Å; W54-F106 WeakPolarHBondContact CA-O 3.43Å; W54-C107 HydrophobicContact CD2-CB 4.03Å; W54-C107 HydrophobicContact CE3-CB 3.89Å; W54-C107 HydrophobicContact CH2-CB 3.91Å; W54-C107 HydrophobicContact CZ2-CB 4.01Å; W54-C107 HydrophobicContact CZ3-CB 3.84Å
55	F	98.3	Very high	95.6	Very high	33 Å²	33	67.4 Å²	67.4	15%	0.145	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	152.3	-179.8	-57.8	-89.1	0	0	0	111.3	Q53 L63 I64 N65 Y105 F106 A108	Q53-F55 HydrophobicContact CB-CD2 4.27Å; Q53-F55 HydrophobicContact CB-CE2 3.41Å; Q53-F55 VanDerWaalsContact CB-CE2 3.41Å; Q53-F55 HydrophobicContact CB-CZ 3.66Å; Q53-F55 HydrophobicContact CG-CE2 4.48Å; Q53-F55 HydrophobicContact CG-CZ 4.31Å; F55-L63 HydrophobicContact CB-CB 4.16Å; F55-L63 HydrophobicContact CB-CD2 4.22Å; F55-L63 HydrophobicContact CD1-CB 3.94Å; F55-L63 HydrophobicContact CG-CB 4.26Å; F55-L63 HydrophobicContact CG-CD1 4.41Å; F55-I64 CarbonylContact C-O 3.55Å; F55-I64 WeakPolarHBondContact CA-O 3.4Å; F55-N65 HydrophobicContact CD1-CB 4.17Å; F55-N65 HydrophobicContact CE1-CB 4.04Å; F55-Y105 CarbonylContact O-C 3.57Å; F55-Y105 VanDerWaalsContact O-CA 3.25Å; F55-Y105 WeakPolarHBondContact O-CA 3.3Å; F55-F106 HydrophobicContact CB-CB 4.41Å; F55-F106 PolarHBondContact N-O 2.9Å; F55-F106 PolarHBondContact O-N 3.12Å; F55-A108 HydrophobicContact CE2-CB 4.1Å
56	R	97.6	Very high	95.7	Very high	65 Å²	65	68.5 Å²	68.5	25%	0.245	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	132.6	164	-175.1	177.6	176.1	-168.2	-4.9	109.7	I64 L66 E100 S102 Y105	R56-I64 PolarHBondContact N-O 2.79Å; R56-I64 PolarHBondContact O-N 3.18Å; R56-L66 HydrophobicContact CB-CD1 4.1Å; R56-L66 HydrophobicContact CB-CD2 4.15Å; R56-L66 HydrophobicContact CB-CG 4.27Å; R56-E100 PolarHBondContact NH1-O 2.62Å; R56-E100 PolarHBondContact NH2-O 3.26Å; R56-S102 PolarHBondContact NH2-O 2.94Å; R56-Y105 HydrophobicContact CB-CD1 4.11Å; R56-Y105 HydrophobicContact CB-CE1 3.99Å; R56-Y105 HydrophobicContact CG-CD1 4.32Å; R56-Y105 HydrophobicContact CG-CE1 3.97Å
57	K	96.8	Very high	95.9	Very high	97 Å²	97	65.9 Å²	65.9	42%	0.422	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	127.2	171	-171.2	178.7	177.7	-178.6	0	109.5	L63 T104 F106	K57-L63 HydrophobicContact CB-CD2 4.25Å; K57-T104 PolarHBondContact N-O 3.02Å; K57-F106 HydrophobicContact CB-CE2 4.14Å; K57-F106 HydrophobicContact CD-CE2 4.44Å
58	N	91.7	Very high	96.1	Very high	32 Å²	32	68 Å²	68	17%	0.171	34%	0.337	C	S	.	.			trans	-86.8	175.4	174	72.5	14.7	0	0	0	112.3	R60 G61 S62 I64	N58-R60 PolarHBondContact O-N 2.78Å; N58-R60 WeakPolarHBondContact OD1-CA 3.32Å; N58-R60 WeakPolarHBondContact OD1-CB 3.34Å; N58-R60 PolarHBondContact OD1-N 2.91Å; N58-G61 PolarHBondContact O-N 2.89Å; N58-G61 PolarHBondContact OD1-N 2.87Å; N58-S62 VanDerWaalsContact CG-O 3.32Å; N58-S62 PolarHBondContact N-O 2.65Å; N58-S62 PolarHBondContact ND2-OG 3.3Å; N58-S62 PolarHBondContact OD1-N 3.43Å; N58-S62 PolarHBondContact OD1-O 2.8Å; N58-S62 PolarHBondContact OD1-OG 3.41Å; N58-I64 HydrophobicContact CB-CD1 3.83Å; N58-I64 HydrophobicContact CB-CG1 4.29Å
59	S	89.3	Confident	96.2	Very high	131 Å²	131	64 Å²	64	92%	0.916	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-24.4	178.7	54.6	0	0	0	0	114.2	G61	S59-G61 VanDerWaalsContact C-N 3.3Å
60	R	91.7	Very high	96.3	Very high	216 Å²	216	66.6 Å²	66.6	82%	0.815	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	1	175.3	-63.9	-174	-68.4	-163.2	-1.9	113.2	N58 S62	N58-R60 PolarHBondContact O-N 2.78Å; N58-R60 WeakPolarHBondContact OD1-CA 3.32Å; N58-R60 WeakPolarHBondContact OD1-CB 3.34Å; N58-R60 PolarHBondContact OD1-N 2.91Å; R60-S62 VanDerWaalsContact C-N 3.3Å; R60-S62 PolarHBondContact O-N 3.09Å
61	G	91.3	Very high	96.2	Very high	38 Å²	38	61.1 Å²	61.1	39%	0.392	33%	0.328	S	S	.	.	S	Bend	trans	80.2	1.5	-179	0	0	0	0	0	115.5	N58 S59	N58-G61 PolarHBondContact O-N 2.89Å; N58-G61 PolarHBondContact OD1-N 2.87Å; S59-G61 VanDerWaalsContact C-N 3.3Å
62	S	95.5	Very high	96.2	Very high	58 Å²	58	63 Å²	63	41%	0.406	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-82	147.8	175.7	83.4	0	0	0	0	111.2	N58 R60	N58-S62 VanDerWaalsContact CG-O 3.32Å; N58-S62 PolarHBondContact N-O 2.65Å; N58-S62 PolarHBondContact ND2-OG 3.3Å; N58-S62 PolarHBondContact OD1-N 3.43Å; N58-S62 PolarHBondContact OD1-O 2.8Å; N58-S62 PolarHBondContact OD1-OG 3.41Å; R60-S62 VanDerWaalsContact C-N 3.3Å; R60-S62 PolarHBondContact O-N 3.09Å
63	L	96.3	Very high	96.2	Very high	92 Å²	92	66.7 Å²	66.7	48%	0.482	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	125.6	176.3	-63.5	-179.4	0	0	0	110.3	F55 K57 F106	F55-L63 HydrophobicContact CB-CB 4.16Å; F55-L63 HydrophobicContact CB-CD2 4.22Å; F55-L63 HydrophobicContact CD1-CB 3.94Å; F55-L63 HydrophobicContact CG-CB 4.26Å; F55-L63 HydrophobicContact CG-CD1 4.41Å; K57-L63 HydrophobicContact CB-CD2 4.25Å; L63-F106 HydrophobicContact CD2-CD2 3.53Å; L63-F106 HydrophobicContact CD2-CE2 3.9Å
64	I	96.6	Very high	96.2	Very high	86 Å²	86	68.6 Å²	68.6	44%	0.441	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	123.9	170.8	-59.8	175.7	0	0	0	107.3	F55 R56 N58 L66	F55-I64 CarbonylContact C-O 3.55Å; F55-I64 WeakPolarHBondContact CA-O 3.4Å; R56-I64 PolarHBondContact N-O 2.79Å; R56-I64 PolarHBondContact O-N 3.18Å; N58-I64 HydrophobicContact CB-CD1 3.83Å; N58-I64 HydrophobicContact CB-CG1 4.29Å; I64-L66 PolarHBondContact O-N 3.49Å
65	N	97.3	Very high	96.2	Very high	75 Å²	75	73.3 Å²	73.3	40%	0.401	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	125.8	173.7	-172.2	-71.5	0	0	0	109.9	F55 F67	F55-N65 HydrophobicContact CD1-CB 4.17Å; F55-N65 HydrophobicContact CE1-CB 4.04Å; N65-F67 PolarHBondContact OD1-N 2.96Å
66	L	98.2	Very high	96.1	Very high	37 Å²	37	77.3 Å²	77.3	19%	0.194	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-48.7	175.3	-59	174.7	0	0	0	110.8	W54 R56 I64 L79 L92 Y105	W54-L66 HydrophobicContact CB-CB 4.33Å; W54-L66 WeakPolarHBondContact O-CB 3.37Å; W54-L66 PolarHBondContact O-N 3.29Å; R56-L66 HydrophobicContact CB-CD1 4.1Å; R56-L66 HydrophobicContact CB-CD2 4.15Å; R56-L66 HydrophobicContact CB-CG 4.27Å; I64-L66 PolarHBondContact O-N 3.49Å; L66-L79 HydrophobicContact CD1-CD1 4.23Å; L66-L79 HydrophobicContact CD2-CD1 4.05Å; L66-L92 HydrophobicContact CD1-CD1 4.5Å; L66-L92 HydrophobicContact CD1-CD2 3.89Å; L66-Y105 HydrophobicContact CD1-CD1 3.74Å; L66-Y105 HydrophobicContact CD1-CE1 3.78Å
67	F	98.5	Very high	96.1	Very high	13 Å²	13	77.1 Å²	77.1	6%	0.057	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	149.6	-179.8	-62.1	-74.3	0	0	0	111.7	Q53 W54 N65 L69 K74 N76 L79 S81 L92	Q53-F67 VanDerWaalsContact CA-O 3.25Å; Q53-F67 WeakPolarHBondContact CA-O 3.49Å; W54-F67 PolarHBondContact N-O 3.13Å; W54-F67 PolarHBondContact O-N 2.72Å; N65-F67 PolarHBondContact OD1-N 2.96Å; F67-L69 HydrophobicContact CB-CD1 3.58Å; F67-L69 HydrophobicContact CB-CG 4.5Å; F67-L69 HydrophobicContact CG-CD1 4.44Å; F67-K74 HydrophobicContact CD1-CB 3.73Å; F67-K74 HydrophobicContact CE1-CB 3.94Å; F67-N76 HydrophobicContact CE1-CB 3.89Å; F67-N76 HydrophobicContact CZ-CB 3.95Å; F67-L79 HydrophobicContact CE2-CB 3.85Å; F67-L79 HydrophobicContact CZ-CB 4Å; F67-L79 WeakPolarHBondContact CZ-O 3Å; F67-S81 VanDerWaalsContact CD2-CB 3.49Å; F67-L92 HydrophobicContact CD2-CD1 3.92Å; F67-L92 HydrophobicContact CE2-CD1 3.78Å
68	Y	98.3	Very high	96.1	Very high	97 Å²	97	75.3 Å²	75.3	38%	0.38	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	122.3	160	174.6	-90.6	0	0	0	107.9	A51 V52 Q53 K74	A51-Y68 HydrophobicContact CB-CE1 4.49Å; A51-Y68 HydrophobicContact CB-CE2 3.72Å; V52-Y68 WeakPolarHBondContact O-CA 3.02Å; Q53-Y68 HydrophobicContact CG-CD2 3.51Å; Q53-Y68 HydrophobicContact CG-CE2 4.34Å; Q53-Y68 HydrophobicContact CG-CG 4.37Å; Y68-K74 WeakPolarHBondContact O-CE 3.48Å; Y68-K74 PolarHBondContact O-NZ 2.79Å
69	L	98.3	Very high	96.4	Very high	0 Å²	0	75.1 Å²	75.1	0%	0	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	123.1	179.6	-53.8	95.1	0	0	0	109.9	A51 V52 F67 K74 S81 F83	A51-L69 CarbonylContact C-O 3.56Å; A51-L69 WeakPolarHBondContact CA-O 3.39Å; V52-L69 HydrophobicContact CG1-CB 4.03Å; V52-L69 HydrophobicContact CG1-CD1 3.92Å; V52-L69 PolarHBondContact N-O 2.91Å; V52-L69 PolarHBondContact O-N 3.11Å; F67-L69 HydrophobicContact CB-CD1 3.58Å; F67-L69 HydrophobicContact CB-CG 4.5Å; F67-L69 HydrophobicContact CG-CD1 4.44Å; L69-K74 HydrophobicContact CD2-CB 4.16Å; L69-K74 HydrophobicContact CD2-CG 4.11Å; L69-K74 HydrophobicContact CG-CD 4.31Å; L69-K74 HydrophobicContact CG-CG 4.37Å; L69-S81 VanDerWaalsContact CD1-OG 3.32Å; L69-S81 WeakPolarHBondContact CD1-OG 3.14Å; L69-S81 WeakPolarHBondContact CD2-O 3.44Å; L69-F83 HydrophobicContact CB-CB 3.85Å; L69-F83 HydrophobicContact CB-CD1 4.31Å; L69-F83 HydrophobicContact CB-CG 4.5Å; L69-F83 HydrophobicContact CD2-CB 4.35Å; L69-F83 VanDerWaalsContact O-CD1 3.29Å; L69-F83 WeakPolarHBondContact O-CD1 3.14Å
70	A	97	Very high	96.9	Very high	57 Å²	57	72.5 Å²	72.5	47%	0.471	40%	0.401	S	S	.	.	S	Bend	trans	-87.2	-22.7	166.1	0	0	0	0	0	111.9	R50 F83	R50-A70 WeakPolarHBondContact O-CA 3.46Å; A70-F83 WeakPolarHBondContact O-CE1 3.45Å
71	S	94.8	Very high	97.2	Very high	91 Å²	91	62.2 Å²	62.2	64%	0.636	36%	0.363	S	S	*	.	S	Bend	trans	-168	164.2	172.6	60	0	0	0	0	110.5
72	G	96.8	Very high	97.6	Very high	40 Å²	40	61.5 Å²	61.5	41%	0.412	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	76.4	-136.6	165.8	0	0	0	0	0	113.3	A82 F83	G72-A82 CarbonylContact O-C 3.5Å; G72-A82 WeakPolarHBondContact O-CA 3.11Å; G72-F83 PolarHBondContact N-O 2.8Å; G72-F83 PolarHBondContact O-N 2.89Å
73	T	98.5	Very high	97.7	Very high	80 Å²	80	59.1 Å²	59.1	49%	0.491	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	141.9	-169.7	-66.3	0	0	0	0	110.9	K80 S81 A82	T73-K80 HydrophobicContact CG2-CD 4.16Å; T73-K80 HydrophobicContact CG2-CG 3.92Å; T73-S81 CarbonylContact C-O 3.59Å; T73-S81 VanDerWaalsContact CA-O 3.26Å; T73-S81 WeakPolarHBondContact CA-O 3.21Å; T73-S81 WeakPolarHBondContact CG2-O 3.38Å; T73-A82 WeakPolarHBondContact OG1-CB 3.35Å
74	K	98.6	Very high	97.8	Very high	102 Å²	102	57.6 Å²	57.6	44%	0.443	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	149.5	172.7	-69	-174	177	177.1	0	110.1	F67 Y68 L69 K80 S81	F67-K74 HydrophobicContact CD1-CB 3.73Å; F67-K74 HydrophobicContact CE1-CB 3.94Å; Y68-K74 WeakPolarHBondContact O-CE 3.48Å; Y68-K74 PolarHBondContact O-NZ 2.79Å; L69-K74 HydrophobicContact CD2-CB 4.16Å; L69-K74 HydrophobicContact CD2-CG 4.11Å; L69-K74 HydrophobicContact CG-CD 4.31Å; L69-K74 HydrophobicContact CG-CG 4.37Å; K74-K80 CarbonylContact O-C 3.53Å; K74-K80 WeakPolarHBondContact O-CA 3.34Å; K74-S81 PolarHBondContact N-O 2.02Å; K74-S81 PolarHBondContact O-N 3.11Å
75	E	98.3	Very high	97.8	Very high	100 Å²	100	55.2 Å²	55.2	47%	0.467	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	139.1	178.8	-172	162.7	153.6	0	0	109.2	L79 K80 R95	E75-L79 CarbonylContact C-O 3.54Å; E75-L79 WeakPolarHBondContact CA-O 3.32Å; E75-L79 WeakPolarHBondContact CG-O 3.38Å; E75-K80 HydrophobicContact CB-CB 4.38Å; E75-K80 HydrophobicContact CB-CG 4.43Å; E75-K80 HydrophobicContact CG-CB 4.15Å; E75-R95 IonicContact OE1-CZ 3.47Å; E75-R95 IonicContact OE1-NH1 2.74Å; E75-R95 PolarHBondContact OE1-NH1 2.82Å; E75-R95 IonicContact OE1-NH2 3.45Å; E75-R95 PolarHBondContact OE1-NH2 2.81Å; E75-R95 IonicContact OE2-CZ 3.66Å; E75-R95 IonicContact OE2-NH1 3.6Å; E75-R95 IonicContact OE2-NH2 2.86Å; E75-R95 PolarHBondContact OE2-NH2 2.88Å
76	N	97.6	Very high	97.7	Very high	117 Å²	117	59.7 Å²	59.7	63%	0.626	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.3	107.2	174.6	-177.5	11.3	0	0	0	108.8	F67 R78 L79	F67-N76 HydrophobicContact CE1-CB 3.89Å; F67-N76 HydrophobicContact CZ-CB 3.95Å; N76-R78 PolarHBondContact O-N 3.19Å; N76-L79 PolarHBondContact N-O 2.81Å; N76-L79 PolarHBondContact O-N 2.85Å; N76-L79 VanDerWaalsContact O-N 3.11Å
77	G	96.7	Very high	97.6	Very high	60 Å²	60	63.3 Å²	63.3	62%	0.619	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	-122.8	-175	0	0	0	0	0	111.6	L79	G77-L79 VanDerWaalsContact C-N 3.3Å; G77-L79 PolarHBondContact O-N 2.79Å
78	R	97.3	Very high	97.5	Very high	60 Å²	60	68.2 Å²	68.2	23%	0.226	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-6.3	-178.4	-67.5	-174.8	-61.6	96.7	2	113.9	N76 R95 D96 E100 D101	N76-R78 PolarHBondContact O-N 3.19Å; R78-R95 WeakPolarHBondContact CB-O 3.25Å; R78-R95 PolarHBondContact O-N 3.43Å; R78-D96 WeakPolarHBondContact CD-O 3.15Å; R78-D96 PolarHBondContact NH1-O 3.11Å; R78-E100 IonicContact NH2-OE1 3.03Å; R78-E100 PolarHBondContact NH2-OE1 3.47Å; R78-D101 IonicContact CZ-OD1 3.57Å; R78-D101 IonicContact CZ-OD2 3.33Å; R78-D101 IonicContact NH1-OD1 3.49Å; R78-D101 PolarHBondContact NH1-OD1 2.85Å; R78-D101 IonicContact NH1-OD2 2.64Å; R78-D101 PolarHBondContact NH1-OD2 2.82Å; R78-D101 VanDerWaalsContact NH2-CG 3.34Å; R78-D101 IonicContact NH2-OD1 2.79Å; R78-D101 PolarHBondContact NH2-OD1 2.82Å; R78-D101 IonicContact NH2-OD2 3.16Å; R78-D101 PolarHBondContact NH2-OD2 3.11Å; R78-D101 VanDerWaalsContact NH2-OD2 3.16Å
79	L	98.4	Very high	97.5	Very high	27 Å²	27	66.6 Å²	66.6	14%	0.141	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	136.1	-178.5	-60.3	177.9	0	0	0	111.7	L66 F67 E75 N76 G77 H93 I94	L66-L79 HydrophobicContact CD1-CD1 4.23Å; L66-L79 HydrophobicContact CD2-CD1 4.05Å; F67-L79 HydrophobicContact CE2-CB 3.85Å; F67-L79 HydrophobicContact CZ-CB 4Å; F67-L79 WeakPolarHBondContact CZ-O 3Å; E75-L79 CarbonylContact C-O 3.54Å; E75-L79 WeakPolarHBondContact CA-O 3.32Å; E75-L79 WeakPolarHBondContact CG-O 3.38Å; N76-L79 PolarHBondContact N-O 2.81Å; N76-L79 PolarHBondContact O-N 2.85Å; N76-L79 VanDerWaalsContact O-N 3.11Å; G77-L79 VanDerWaalsContact C-N 3.3Å; G77-L79 PolarHBondContact O-N 2.79Å; L79-H93 CarbonylContact C-O 3.56Å; L79-H93 WeakPolarHBondContact CA-O 3.46Å; L79-I94 HydrophobicContact CD2-CB 3.79Å; L79-I94 HydrophobicContact CD2-CD1 3.83Å; L79-I94 HydrophobicContact CD2-CG1 3.74Å
80	K	98.7	Very high	97.5	Very high	76 Å²	76	66.6 Å²	66.6	33%	0.33	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	132.8	173.1	176.3	179	-177.3	175.7	0	109.6	T73 K74 E75 H93 R95	T73-K80 HydrophobicContact CG2-CD 4.16Å; T73-K80 HydrophobicContact CG2-CG 3.92Å; K74-K80 CarbonylContact O-C 3.53Å; K74-K80 WeakPolarHBondContact O-CA 3.34Å; E75-K80 HydrophobicContact CB-CB 4.38Å; E75-K80 HydrophobicContact CB-CG 4.43Å; E75-K80 HydrophobicContact CG-CB 4.15Å; K80-H93 HydrophobicContact CB-CB 4.35Å; K80-H93 PolarHBondContact N-O 2.62Å; K80-H93 PolarHBondContact O-N 2.86Å; K80-R95 VanDerWaalsContact CD-NH2 3.27Å
81	S	98.7	Very high	97.6	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	140.9	172.4	-177.3	0	0	0	0	111.4	W54 F67 L69 T73 K74 T91	W54-S81 PolarHBondContact NE1-OG 3.48Å; F67-S81 VanDerWaalsContact CD2-CB 3.49Å; L69-S81 VanDerWaalsContact CD1-OG 3.32Å; L69-S81 WeakPolarHBondContact CD1-OG 3.14Å; L69-S81 WeakPolarHBondContact CD2-O 3.44Å; T73-S81 CarbonylContact C-O 3.59Å; T73-S81 VanDerWaalsContact CA-O 3.26Å; T73-S81 WeakPolarHBondContact CA-O 3.21Å; T73-S81 WeakPolarHBondContact CG2-O 3.38Å; K74-S81 PolarHBondContact N-O 2.02Å; K74-S81 PolarHBondContact O-N 3.11Å; S81-T91 WeakPolarHBondContact CA-O 3.29Å; S81-T91 WeakPolarHBondContact CB-O 3.45Å; S81-T91 PolarHBondContact OG-O 3.27Å
82	A	98.6	Very high	97.8	Very high	24 Å²	24	61.4 Å²	61.4	20%	0.198	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	147.4	172.4	0	0	0	0	0	109.8	G72 T73 S90 T91	G72-A82 CarbonylContact O-C 3.5Å; G72-A82 WeakPolarHBondContact O-CA 3.11Å; T73-A82 WeakPolarHBondContact OG1-CB 3.35Å; A82-S90 CarbonylContact O-C 3.52Å; A82-S90 WeakPolarHBondContact O-CA 3.37Å; A82-S90 WeakPolarHBondContact O-CB 3.35Å; A82-S90 PolarHBondContact O-OG 2.88Å; A82-T91 PolarHBondContact N-O 2.69Å; A82-T91 VanDerWaalsContact N-O 3.11Å; A82-T91 PolarHBondContact O-N 2.89Å
83	F	98.7	Very high	97.9	Very high	8 Å²	8	63 Å²	63	4%	0.035	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	121.9	177.7	174.4	-135.3	0	0	0	110.3	F45 M49 V52 L69 A70 G72	F45-F83 HydrophobicContact CD2-CE2 4.38Å; F45-F83 HydrophobicContact CE2-CD2 4.09Å; F45-F83 AromaticContact CE2-CE2 3.69Å; F45-F83 HydrophobicContact CE2-CE2 3.69Å; F45-F83 HydrophobicContact CZ-CE2 4.48Å; M49-F83 HydrophobicContact CB-CE2 4.28Å; M49-F83 HydrophobicContact CB-CZ 3.98Å; M49-F83 WeakPolarHBondContact O-CZ 3.47Å; V52-F83 HydrophobicContact CB-CD2 4.17Å; V52-F83 HydrophobicContact CB-CE2 4.47Å; V52-F83 HydrophobicContact CB-CG 4.3Å; V52-F83 HydrophobicContact CG1-CB 3.6Å; V52-F83 HydrophobicContact CG1-CD1 4.06Å; V52-F83 HydrophobicContact CG1-CD2 3.81Å; V52-F83 HydrophobicContact CG1-CG 3.54Å; L69-F83 HydrophobicContact CB-CB 3.85Å; L69-F83 HydrophobicContact CB-CD1 4.31Å; L69-F83 HydrophobicContact CB-CG 4.5Å; L69-F83 HydrophobicContact CD2-CB 4.35Å; L69-F83 VanDerWaalsContact O-CD1 3.29Å; L69-F83 WeakPolarHBondContact O-CD1 3.14Å; A70-F83 WeakPolarHBondContact O-CE1 3.45Å; G72-F83 PolarHBondContact N-O 2.8Å; G72-F83 PolarHBondContact O-N 2.89Å
84	D	97.3	Very high	97.8	Very high	60 Å²	60	60.1 Å²	60.1	32%	0.321	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	103.8	173.4	-165.8	-38.7	0	0	0	109.5	K86 E87 R88 Y89	D84-K86 VanDerWaalsContact C-N 3.3Å; D84-K86 PolarHBondContact O-N 2.77Å; D84-K86 WeakPolarHBondContact OD1-CA 3.3Å; D84-K86 WeakPolarHBondContact OD1-CB 3.14Å; D84-K86 PolarHBondContact OD1-N 3.16Å; D84-E87 HydrophobicContact CB-CB 4.05Å; D84-E87 HydrophobicContact CB-CG 4.46Å; D84-E87 PolarHBondContact OD1-N 3.14Å; D84-R88 PolarHBondContact O-N 3.47Å; D84-Y89 HydrophobicContact CB-CE1 4.3Å; D84-Y89 PolarHBondContact N-O 3.27Å; D84-Y89 PolarHBondContact O-N 3.49Å; D84-Y89 VanDerWaalsContact O-N 3.14Å
85	S	96.2	Very high	97.8	Very high	36 Å²	36	60 Å²	60	25%	0.252	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-34.3	179.3	177.3	0	0	0	0	112.3	T48 M49 R88	T48-S85 WeakPolarHBondContact CG2-OG 3.36Å; M49-S85 WeakPolarHBondContact O-CB 3.35Å; M49-S85 PolarHBondContact O-OG 3.03Å; S85-R88 PolarHBondContact O-N 2.97Å
86	K	95.2	Very high	97.8	Very high	169 Å²	169	59 Å²	59	74%	0.735	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-44.1	-178.1	-175	-174.6	175.6	-170.2	0	110.8	D84 R88	D84-K86 VanDerWaalsContact C-N 3.3Å; D84-K86 PolarHBondContact O-N 2.77Å; D84-K86 WeakPolarHBondContact OD1-CA 3.3Å; D84-K86 WeakPolarHBondContact OD1-CB 3.14Å; D84-K86 PolarHBondContact OD1-N 3.16Å; K86-R88 PolarHBondContact O-N 2.64Å
87	E	96.6	Very high	97.8	Very high	113 Å²	113	53.9 Å²	53.9	53%	0.528	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-1.5	176.6	-60	-58.9	136.9	0	0	113.1	D84 Y89	D84-E87 HydrophobicContact CB-CB 4.05Å; D84-E87 HydrophobicContact CB-CG 4.46Å; D84-E87 PolarHBondContact OD1-N 3.14Å; E87-Y89 VanDerWaalsContact C-N 3.35Å; E87-Y89 HydrophobicContact CB-CD1 3.61Å; E87-Y89 HydrophobicContact CB-CE1 3.42Å; E87-Y89 VanDerWaalsContact CB-CE1 3.42Å; E87-Y89 HydrophobicContact CG-CE1 4.25Å; E87-Y89 WeakPolarHBondContact O-CD1 3.36Å; E87-Y89 PolarHBondContact O-N 2.77Å
88	R	97.2	Very high	97.8	Very high	115 Å²	115	54 Å²	54	43%	0.434	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	43.5	173.8	-54.9	-179	-174.3	159.2	8.5	113.4	F45 T46 D84 S85 K86	F45-R88 HydrophobicContact CB-CB 4.25Å; F45-R88 WeakPolarHBondContact CD2-O 3.43Å; F45-R88 PolarHBondContact N-O 2.8Å; F45-R88 WeakPolarHBondContact O-CB 3.27Å; T46-R88 PolarHBondContact O-NH1 2.63Å; D84-R88 PolarHBondContact O-N 3.47Å; S85-R88 PolarHBondContact O-N 2.97Å; K86-R88 PolarHBondContact O-N 2.64Å
89	Y	98	Very high	97.7	Very high	64 Å²	64	57.1 Å²	57.1	25%	0.251	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	160.5	171.4	75.6	-91.4	0	0	0	113.2	R42 C43 D84 E87 T91	R42-Y89 VanDerWaalsContact NH2-CD1 3.34Å; C43-Y89 CarbonylContact O-C 3.53Å; C43-Y89 WeakPolarHBondContact O-CA 3.4Å; C43-Y89 WeakPolarHBondContact O-CB 3.28Å; D84-Y89 HydrophobicContact CB-CE1 4.3Å; D84-Y89 PolarHBondContact N-O 3.27Å; D84-Y89 PolarHBondContact O-N 3.49Å; D84-Y89 VanDerWaalsContact O-N 3.14Å; E87-Y89 VanDerWaalsContact C-N 3.35Å; E87-Y89 HydrophobicContact CB-CD1 3.61Å; E87-Y89 HydrophobicContact CB-CE1 3.42Å; E87-Y89 VanDerWaalsContact CB-CE1 3.42Å; E87-Y89 HydrophobicContact CG-CE1 4.25Å; E87-Y89 WeakPolarHBondContact O-CD1 3.36Å; E87-Y89 PolarHBondContact O-N 2.77Å; Y89-T91 HydrophobicContact CD2-CG2 3.97Å; Y89-T91 HydrophobicContact CE2-CG2 3.98Å
90	S	98.7	Very high	97.5	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	154.1	165	-178.7	0	0	0	0	110.3	R42 C43 V52 W54 A82	R42-S90 CarbonylContact C-O 3.51Å; R42-S90 WeakPolarHBondContact CA-O 3.3Å; C43-S90 PolarHBondContact N-O 2.87Å; C43-S90 PolarHBondContact O-N 2.81Å; V52-S90 WeakPolarHBondContact CG1-OG 3.2Å; W54-S90 PolarHBondContact NE1-OG 2.9Å; A82-S90 CarbonylContact O-C 3.52Å; A82-S90 WeakPolarHBondContact O-CA 3.37Å; A82-S90 WeakPolarHBondContact O-CB 3.35Å; A82-S90 PolarHBondContact O-OG 2.88Å
91	T	98.6	Very high	97.4	Very high	33 Å²	33	59.4 Å²	59.4	20%	0.202	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	150.6	172	57.5	0	0	0	0	111.1	L41 R42 S81 A82 Y89	L41-T91 CarbonylContact O-C 3.59Å; L41-T91 WeakPolarHBondContact O-CA 3.44Å; R42-T91 HydrophobicContact CB-CG2 4.37Å; R42-T91 HydrophobicContact CG-CG2 4.26Å; S81-T91 WeakPolarHBondContact CA-O 3.29Å; S81-T91 WeakPolarHBondContact CB-O 3.45Å; S81-T91 PolarHBondContact OG-O 3.27Å; A82-T91 PolarHBondContact N-O 2.69Å; A82-T91 VanDerWaalsContact N-O 3.11Å; A82-T91 PolarHBondContact O-N 2.89Å; Y89-T91 HydrophobicContact CD2-CG2 3.97Å; Y89-T91 HydrophobicContact CE2-CG2 3.98Å
92	L	98.7	Very high	97.2	Very high	6 Å²	6	63.6 Å²	63.6	3%	0.031	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	107.4	165.8	177	67.3	0	0	0	107.8	A40 L41 W54 L66 F67 Y105	A40-L92 CarbonylContact C-O 3.59Å; A40-L92 VanDerWaalsContact CA-O 3.3Å; A40-L92 WeakPolarHBondContact CA-O 3.48Å; L41-L92 HydrophobicContact CB-CB 4.46Å; L41-L92 HydrophobicContact CD1-CD2 4.46Å; L41-L92 PolarHBondContact N-O 2.84Å; L41-L92 PolarHBondContact O-N 2.73Å; W54-L92 HydrophobicContact CB-CD2 4.38Å; W54-L92 HydrophobicContact CD2-CB 3.56Å; W54-L92 HydrophobicContact CD2-CD2 4.05Å; W54-L92 HydrophobicContact CD2-CG 4.3Å; W54-L92 HydrophobicContact CE3-CB 3.71Å; W54-L92 HydrophobicContact CE3-CD2 3.69Å; W54-L92 HydrophobicContact CE3-CG 4.31Å; W54-L92 HydrophobicContact CG-CB 4.09Å; W54-L92 HydrophobicContact CG-CD1 4.44Å; W54-L92 HydrophobicContact CG-CD2 4.36Å; W54-L92 HydrophobicContact CH2-CB 3.99Å; W54-L92 HydrophobicContact CZ2-CB 3.87Å; W54-L92 HydrophobicContact CZ3-CB 3.92Å; W54-L92 HydrophobicContact CZ3-CD2 4.27Å; L66-L92 HydrophobicContact CD1-CD1 4.5Å; L66-L92 HydrophobicContact CD1-CD2 3.89Å; F67-L92 HydrophobicContact CD2-CD1 3.92Å; F67-L92 HydrophobicContact CE2-CD1 3.78Å; L92-Y105 HydrophobicContact CD2-CD1 3.52Å; L92-Y105 HydrophobicContact CD2-CE1 4.08Å; L92-Y105 HydrophobicContact CD2-CG 4.25Å
93	H	98.5	Very high	97	Very high	72 Å²	72	64.8 Å²	64.8	33%	0.333	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	134.9	178.5	-145.9	88.3	0	0	0	110	S39 A40 L79 K80	S39-H93 WeakPolarHBondContact O-CA 3.18Å; A40-H93 WeakPolarHBondContact CB-ND1 3.25Å; L79-H93 CarbonylContact C-O 3.56Å; L79-H93 WeakPolarHBondContact CA-O 3.46Å; K80-H93 HydrophobicContact CB-CB 4.35Å; K80-H93 PolarHBondContact N-O 2.62Å; K80-H93 PolarHBondContact O-N 2.86Å
94	I	98.2	Very high	97	Very high	20 Å²	20	67.8 Å²	67.8	10%	0.103	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	130.1	170.3	-173.4	161.7	0	0	0	108.8	L33 G38 S39 L79 D101	L33-I94 HydrophobicContact CD1-CG2 4.09Å; G38-I94 CarbonylContact C-O 3.58Å; G38-I94 WeakPolarHBondContact CA-O 3.31Å; S39-I94 PolarHBondContact N-O 2.93Å; S39-I94 PolarHBondContact O-N 3.37Å; L79-I94 HydrophobicContact CD2-CB 3.79Å; L79-I94 HydrophobicContact CD2-CD1 3.83Å; L79-I94 HydrophobicContact CD2-CG1 3.74Å; I94-D101 HydrophobicContact CD1-CB 3.42Å; I94-D101 VanDerWaalsContact CD1-CB 3.42Å; I94-D101 VanDerWaalsContact CD1-OD2 3.3Å; I94-D101 WeakPolarHBondContact CD1-OD2 3.33Å
95	R	98	Very high	97	Very high	100 Å²	100	66.5 Å²	66.5	38%	0.377	34%	0.338	S	S	.	.			trans	-108.5	154.8	173.5	-56.9	-174.5	-162.3	135	13	109.2	E75 R78 K80 A97	E75-R95 IonicContact OE1-CZ 3.47Å; E75-R95 IonicContact OE1-NH1 2.74Å; E75-R95 PolarHBondContact OE1-NH1 2.82Å; E75-R95 IonicContact OE1-NH2 3.45Å; E75-R95 PolarHBondContact OE1-NH2 2.81Å; E75-R95 IonicContact OE2-CZ 3.66Å; E75-R95 IonicContact OE2-NH1 3.6Å; E75-R95 IonicContact OE2-NH2 2.86Å; E75-R95 PolarHBondContact OE2-NH2 2.88Å; R78-R95 WeakPolarHBondContact CB-O 3.25Å; R78-R95 PolarHBondContact O-N 3.43Å; K80-R95 VanDerWaalsContact CD-NH2 3.27Å; R95-A97 VanDerWaalsContact C-N 3.33Å; R95-A97 PolarHBondContact O-N 3.24Å
96	D	97.7	Very high	97	Very high	80 Å²	80	68.7 Å²	68.7	43%	0.428	34%	0.343	S	S	.	.	S	Bend	trans	48.5	57.2	174.3	-178.2	35.1	0	0	0	111.2	G36 T37 R78 Q98	G36-D96 WeakPolarHBondContact CA-OD1 3.4Å; T37-D96 PolarHBondContact O-N 3.36Å; R78-D96 WeakPolarHBondContact CD-O 3.15Å; R78-D96 PolarHBondContact NH1-O 3.11Å; D96-Q98 PolarHBondContact O-NE2 2.97Å; D96-Q98 PolarHBondContact OD1-NE2 3.33Å
97	A	97.7	Very high	97.2	Very high	8 Å²	8	61.4 Å²	61.4	7%	0.066	31%	0.313	C	S	.	.			trans	-57.6	139.4	-173.7	0	0	0	0	0	110.9	L33 E35 G36 T37 R95	L33-A97 HydrophobicContact CB-CB 4.39Å; L33-A97 HydrophobicContact CD1-CB 4.14Å; E35-A97 CarbonylContact C-O 3.46Å; E35-A97 WeakPolarHBondContact CA-O 3.39Å; G36-A97 PolarHBondContact N-O 2.84Å; T37-A97 VanDerWaalsContact O-CB 3.31Å; T37-A97 WeakPolarHBondContact O-CB 3.48Å; T37-A97 PolarHBondContact O-N 2.86Å; R95-A97 VanDerWaalsContact C-N 3.33Å; R95-A97 PolarHBondContact O-N 3.24Å
98	Q	97.3	Very high	97.2	Very high	64 Å²	64	58 Å²	58	30%	0.299	30%	0.304	S	S	.	.			trans	-123.8	159	179.6	-59.5	-62.5	-47.7	0	0	109.2	D96 E100 D101	D96-Q98 PolarHBondContact O-NE2 2.97Å; D96-Q98 PolarHBondContact OD1-NE2 3.33Å; Q98-E100 HydrophobicContact CB-CG 3.71Å; Q98-E100 PolarHBondContact O-N 3.26Å; Q98-D101 PolarHBondContact N-OD2 2.94Å; Q98-D101 WeakPolarHBondContact O-CB 3.45Å; Q98-D101 PolarHBondContact O-N 3.15Å
99	L	95.6	Very high	97.1	Very high	124 Å²	124	53.8 Å²	53.8	65%	0.649	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-55.4	-37.2	177	-67.2	175	0	0	0	112.2	E35 D101 S102	E35-L99 HydrophobicContact CG-CD2 4.46Å; E35-L99 HydrophobicContact CG-CG 4.37Å; E35-L99 WeakPolarHBondContact OE1-CD1 3.4Å; E35-L99 WeakPolarHBondContact OE1-CD2 3.39Å; E35-L99 WeakPolarHBondContact OE1-CG 3.47Å; L99-D101 PolarHBondContact O-N 2.86Å; L99-D101 VanDerWaalsContact O-N 3.13Å; L99-S102 VanDerWaalsContact O-CB 3.28Å; L99-S102 WeakPolarHBondContact O-CB 3.26Å; L99-S102 PolarHBondContact O-N 2.82Å; L99-S102 VanDerWaalsContact O-N 3.11Å; L99-S102 PolarHBondContact O-OG 2.92Å
100	E	94.1	Very high	96.9	Very high	135 Å²	135	57.5 Å²	57.5	63%	0.631	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-63.6	-11.8	177.6	64	175.6	-155.6	0	0	114.5	R56 R78 Q98	R56-E100 PolarHBondContact NH1-O 2.62Å; R56-E100 PolarHBondContact NH2-O 3.26Å; R78-E100 IonicContact NH2-OE1 3.03Å; R78-E100 PolarHBondContact NH2-OE1 3.47Å; Q98-E100 HydrophobicContact CB-CG 3.71Å; Q98-E100 PolarHBondContact O-N 3.26Å
101	D	95.4	Very high	96.8	Very high	17 Å²	17	60.4 Å²	60.4	9%	0.091	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-86.5	-15	176.3	-58.7	-45.4	0	0	0	113	R78 I94 Q98 L99 G103 Y105	R78-D101 IonicContact CZ-OD1 3.57Å; R78-D101 IonicContact CZ-OD2 3.33Å; R78-D101 IonicContact NH1-OD1 3.49Å; R78-D101 PolarHBondContact NH1-OD1 2.85Å; R78-D101 IonicContact NH1-OD2 2.64Å; R78-D101 PolarHBondContact NH1-OD2 2.82Å; R78-D101 VanDerWaalsContact NH2-CG 3.34Å; R78-D101 IonicContact NH2-OD1 2.79Å; R78-D101 PolarHBondContact NH2-OD1 2.82Å; R78-D101 IonicContact NH2-OD2 3.16Å; R78-D101 PolarHBondContact NH2-OD2 3.11Å; R78-D101 VanDerWaalsContact NH2-OD2 3.16Å; I94-D101 HydrophobicContact CD1-CB 3.42Å; I94-D101 VanDerWaalsContact CD1-CB 3.42Å; I94-D101 VanDerWaalsContact CD1-OD2 3.3Å; I94-D101 WeakPolarHBondContact CD1-OD2 3.33Å; Q98-D101 PolarHBondContact N-OD2 2.94Å; Q98-D101 WeakPolarHBondContact O-CB 3.45Å; Q98-D101 PolarHBondContact O-N 3.15Å; L99-D101 PolarHBondContact O-N 2.86Å; L99-D101 VanDerWaalsContact O-N 3.13Å; D101-G103 PolarHBondContact O-N 3.18Å; D101-Y105 WeakPolarHBondContact O-CE2 3.46Å; D101-Y105 PolarHBondContact O-OH 2.87Å
102	S	94.8	Very high	96.7	Very high	88 Å²	88	61.8 Å²	61.8	62%	0.615	34%	0.336	S	S	*	.			trans	-56.8	129	178.7	-69.2	0	0	0	0	109.9	R56 L99	R56-S102 PolarHBondContact NH2-O 2.94Å; L99-S102 VanDerWaalsContact O-CB 3.28Å; L99-S102 WeakPolarHBondContact O-CB 3.26Å; L99-S102 PolarHBondContact O-N 2.82Å; L99-S102 VanDerWaalsContact O-N 3.11Å; L99-S102 PolarHBondContact O-OG 2.92Å
103	G	95.4	Very high	96.6	Very high	48 Å²	48	64.9 Å²	64.9	50%	0.495	35%	0.353	S	S	.	.	S	Bend	trans	163.8	-179.7	-176.8	0	0	0	0	0	112.9	D101 Y105	D101-G103 PolarHBondContact O-N 3.18Å; G103-Y105 WeakPolarHBondContact O-CD2 3.5Å
104	T	96.8	Very high	96.4	Very high	71 Å²	71	64.5 Å²	64.5	44%	0.436	35%	0.354	S	S	.	.			trans	-95.5	130.2	177.6	-46.4	0	0	0	0	110	K57 F106	K57-T104 PolarHBondContact N-O 3.02Å; T104-F106 HydrophobicContact CG2-CD2 4.3Å; T104-F106 HydrophobicContact CG2-CE1 4.07Å; T104-F106 HydrophobicContact CG2-CE2 3.55Å; T104-F106 HydrophobicContact CG2-CZ 3.41Å; T104-F106 VanDerWaalsContact CG2-CZ 3.41Å
105	Y	97.7	Very high	96.3	Very high	34 Å²	34	67.3 Å²	67.3	13%	0.133	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	137.2	178.7	-66.4	-98.2	0	0	0	110.1	Q26 L41 F55 R56 L66 L92 D101 G103	Q26-Y105 PolarHBondContact NE2-O 3.33Å; L41-Y105 VanDerWaalsContact CD1-CB 3.45Å; L41-Y105 HydrophobicContact CD1-CD2 4.23Å; L41-Y105 HydrophobicContact CD1-CG 3.91Å; F55-Y105 CarbonylContact O-C 3.57Å; F55-Y105 VanDerWaalsContact O-CA 3.25Å; F55-Y105 WeakPolarHBondContact O-CA 3.3Å; R56-Y105 HydrophobicContact CB-CD1 4.11Å; R56-Y105 HydrophobicContact CB-CE1 3.99Å; R56-Y105 HydrophobicContact CG-CD1 4.32Å; R56-Y105 HydrophobicContact CG-CE1 3.97Å; L66-Y105 HydrophobicContact CD1-CD1 3.74Å; L66-Y105 HydrophobicContact CD1-CE1 3.78Å; L92-Y105 HydrophobicContact CD2-CD1 3.52Å; L92-Y105 HydrophobicContact CD2-CE1 4.08Å; L92-Y105 HydrophobicContact CD2-CG 4.25Å; D101-Y105 WeakPolarHBondContact O-CE2 3.46Å; D101-Y105 PolarHBondContact O-OH 2.87Å; G103-Y105 WeakPolarHBondContact O-CD2 3.5Å
106	F	97.6	Very high	96.2	Very high	82 Å²	82	65.1 Å²	65.1	36%	0.36	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	142.5	180	-63.2	-79.1	0	0	0	110	W54 F55 K57 L63 T104	W54-F106 WeakPolarHBondContact CA-O 3.43Å; F55-F106 HydrophobicContact CB-CB 4.41Å; F55-F106 PolarHBondContact N-O 2.9Å; F55-F106 PolarHBondContact O-N 3.12Å; K57-F106 HydrophobicContact CB-CE2 4.14Å; K57-F106 HydrophobicContact CD-CE2 4.44Å; L63-F106 HydrophobicContact CD2-CD2 3.53Å; L63-F106 HydrophobicContact CD2-CE2 3.9Å; T104-F106 HydrophobicContact CG2-CD2 4.3Å; T104-F106 HydrophobicContact CG2-CE1 4.07Å; T104-F106 HydrophobicContact CG2-CE2 3.55Å; T104-F106 HydrophobicContact CG2-CZ 3.41Å; T104-F106 VanDerWaalsContact CG2-CZ 3.41Å
107	C	97.9	Very high	96.1	Very high	15 Å²	15	64.1 Å²	64.1	10%	0.101	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	147.7	162.7	69.1	0	0	0	0	110.3	V24 Q26 C43 Q53 W54	V24-C107 WeakPolarHBondContact CG1-SG 3.47Å; Q26-C107 HydrophobicContact CG-CB 4.4Å; Q26-C107 WeakPolarHBondContact CG-SG 3.28Å; Q26-C107 PolarHBondContact OE1-SG 2.99Å; C43-C107 HydrophobicContact CB-CB 3.57Å; C43-C107 WeakPolarHBondContact CB-SG 3.4Å; C43-C107 WeakPolarHBondContact SG-CB 3.43Å; C43-C107 CovalentContact SG-SG 2.02Å; C43-C107 PolarHBondContact SG-SG 3.26Å; Q53-C107 CarbonylContact O-C 3.53Å; Q53-C107 VanDerWaalsContact O-CA 3.28Å; Q53-C107 WeakPolarHBondContact O-CA 3.38Å; W54-C107 HydrophobicContact CD2-CB 4.03Å; W54-C107 HydrophobicContact CE3-CB 3.89Å; W54-C107 HydrophobicContact CH2-CB 3.91Å; W54-C107 HydrophobicContact CZ2-CB 4.01Å; W54-C107 HydrophobicContact CZ3-CB 3.84Å
108	A	96.8	Very high	96	Very high	41 Å²	41	68.4 Å²	68.4	34%	0.339	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	146.9	166.7	0	0	0	0	0	108.3	V52 Q53 F55	V52-A108 CarbonylContact C-O 3.49Å; V52-A108 WeakPolarHBondContact CA-O 3.42Å; V52-A108 WeakPolarHBondContact CG2-O 3.32Å; Q53-A108 PolarHBondContact N-O 3.4Å; Q53-A108 PolarHBondContact O-N 2.86Å; F55-A108 HydrophobicContact CE2-CB 4.1Å
109	A	96.2	Very high	95.9	Very high	28 Å²	28	68.8 Å²	68.8	23%	0.231	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	152.3	178	0	0	0	0	0	110.8	F45 M49 A51 V52	F45-A109 HydrophobicContact CD1-CB 3.79Å; F45-A109 HydrophobicContact CE1-CB 3.28Å; F45-A109 HydrophobicContact CE2-CB 4.49Å; F45-A109 HydrophobicContact CZ-CB 3.71Å; M49-A109 HydrophobicContact CB-CB 3.98Å; M49-A109 HydrophobicContact CE-CB 4.49Å; M49-A109 HydrophobicContact CG-CB 3.6Å; M49-A109 HydrophobicContact SD-CB 3.96Å; A51-A109 VanDerWaalsContact O-CA 3.25Å; A51-A109 WeakPolarHBondContact O-CA 3.25Å; A51-A109 WeakPolarHBondContact O-CB 3.35Å; V52-A109 HydrophobicContact CB-CB 4.48Å; V52-A109 HydrophobicContact CG2-CB 4.42Å
110	E	92.6	Very high	95.9	Very high	142 Å²	142	63.7 Å²	63.7	66%	0.664	37%	0.372	S	S	*	.			trans	-143.3	0	-178.9	65.8	176.3	179.9	0	0	111.1	M49 R50 A51	M49-E110 CarbonylContact C-O 3.54Å; R50-E110 CarbonylContact C-O 3.56Å; R50-E110 WeakPolarHBondContact CA-O 3.08Å; R50-E110 WeakPolarHBondContact CB-O 3.4Å; R50-E110 PolarHBondContact N-O 2.74Å; A51-E110 HydrophobicContact CB-CG 4.24Å; A51-E110 PolarHBondContact N-O 3.46Å; A51-E110 PolarHBondContact O-N 3.45Å; A51-E110 VanDerWaalsContact O-N 3.09Å

Retrieved 110 of 110 residues in 116.9 ms (Link to these results)

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