A0A096MGU7_POEFO Loading...

Cannabinoid receptor interacting protein 1a

AlphaFold DB , UniProt , Accession A0A096MGU7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 111 aa.

						>A0A096MGU7_POEFO|A0A096MGU7
MDDVPPIITIQVALRIQPNDGPVFFKVDGTRFGQSRTIKLLTGSKYRVEVAVKPGALEATNMNIGGIVFPLEQQSRDEESVVYHGRYDTEGVPHTKSGDRQPIQVSIEVRS
					

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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	50.7	Low	80.3	Confident	237 Å²	237	126.5 Å²	126.5	100%	1.167	69%	0.687	S	S	*	*				0	112.2	0	-86.7	174.2	174.3	0	0	104.3	D3	M1-D3 PolarHBondContact O-N 3.2Å
2	D	54.3	Low	81.7	Confident	165 Å²	165	121.5 Å²	121.5	88%	0.882	66%	0.663	S	S	*	*			trans	-62.8	118.8	176.2	-66.3	-37.5	0	0	0	107.6	V4	D2-V4 PolarHBondContact O-N 3.14Å; D2-V4 VanDerWaalsContact O-N 3.14Å
3	D	72.3	Confident	82.8	Confident	161 Å²	161	115.1 Å²	115.1	86%	0.861	64%	0.637	S	S	*	*			trans	-61.1	114.8	-177.9	-108	-28.5	0	0	0	108.9	M1 P5	M1-D3 PolarHBondContact O-N 3.2Å; D3-P5 WeakPolarHBondContact O-CD 3.45Å
4	V	76.7	Confident	83.7	Confident	125 Å²	125	109.2 Å²	109.2	76%	0.758	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-65.2	125.8	172.4	177.2	0	0	0	0	107.1	D2	D2-V4 PolarHBondContact O-N 3.14Å; D2-V4 VanDerWaalsContact O-N 3.14Å
5	P	75.9	Confident	84.6	Confident	105 Å²	105	109.9 Å²	109.9	68%	0.682	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-54.3	137.8	177.3	-25.8	33.8	0	0	0	110.5	D3 I7	D3-P5 WeakPolarHBondContact O-CD 3.45Å; P5-I7 PolarHBondContact O-N 3.46Å
6	P	80.8	Confident	85.3	Confident	97 Å²	97	105.6 Å²	105.6	63%	0.63	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-59.5	140.7	-178.5	23.8	-32.9	0	0	0	110.6	I8	P6-I8 PolarHBondContact O-N 3.29Å
7	I	90.8	Very high	86	Confident	149 Å²	149	103.3 Å²	103.3	76%	0.764	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-66.1	123.8	175	-64.4	173.4	0	0	0	108.4	P5	P5-I7 PolarHBondContact O-N 3.46Å
8	I	93.3	Very high	86.5	Confident	86 Å²	86	103.5 Å²	103.5	44%	0.441	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-94.3	127.6	175.1	-54.6	-176.2	0	0	0	108.8	P6 I10 V52 K53 L57	P6-I8 PolarHBondContact O-N 3.29Å; I8-I10 HydrophobicContact CG2-CD1 4.37Å; I8-I10 HydrophobicContact CG2-CG1 3.98Å; I8-V52 HydrophobicContact CG2-CG1 4.39Å; I8-K53 WeakPolarHBondContact CA-O 3.41Å; I8-L57 HydrophobicContact CB-CD1 4.26Å; I8-L57 HydrophobicContact CD1-CD1 3.87Å; I8-L57 HydrophobicContact CG1-CD1 3.85Å; I8-L57 HydrophobicContact CG2-CD1 3.59Å
9	T	95.7	Very high	86.8	Confident	64 Å²	64	105.7 Å²	105.7	39%	0.393	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.5	127.4	171.8	-57.6	0	0	0	0	109.6	Q11 V52 K53	T9-Q11 HydrophobicContact CG2-CG 4.49Å; T9-V52 CarbonylContact O-C 3.54Å; T9-V52 WeakPolarHBondContact O-CA 3.41Å; T9-K53 PolarHBondContact N-O 3.2Å; T9-K53 PolarHBondContact O-N 3.39Å
10	I	96.3	Very high	87.1	Confident	78 Å²	78	103.7 Å²	103.7	40%	0.4	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.8	124.6	177	-53.8	176.4	0	0	0	108.3	I8 V12 V50 A51 I107 V109	I8-I10 HydrophobicContact CG2-CD1 4.37Å; I8-I10 HydrophobicContact CG2-CG1 3.98Å; I10-V12 HydrophobicContact CG2-CG2 4.07Å; I10-V50 HydrophobicContact CG2-CG1 4.08Å; I10-A51 WeakPolarHBondContact CA-O 3.33Å; I10-I107 HydrophobicContact CG2-CD1 3.88Å; I10-V109 HydrophobicContact CD1-CG2 4.31Å
11	Q	97.1	Very high	87.4	Confident	125 Å²	125	99.4 Å²	99.4	58%	0.584	54%	0.542	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.4	134.1	171.3	-61.6	-179.1	-39.7	0	0	108.8	T9 V50 A51	T9-Q11 HydrophobicContact CG2-CG 4.49Å; Q11-V50 CarbonylContact O-C 3.56Å; Q11-V50 VanDerWaalsContact O-CA 3.3Å; Q11-V50 WeakPolarHBondContact O-CA 3.24Å; Q11-A51 HydrophobicContact CB-CB 4.25Å; Q11-A51 PolarHBondContact N-O 3.35Å; Q11-A51 PolarHBondContact O-N 2.85Å
12	V	96.2	Very high	89.4	Confident	66 Å²	66	91.8 Å²	91.8	40%	0.4	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	128.1	178.8	-174.9	0	0	0	0	108.9	I10 L14 V48 E49 M62 I107	I10-V12 HydrophobicContact CG2-CG2 4.07Å; V12-L14 HydrophobicContact CG1-CD1 3.98Å; V12-V48 HydrophobicContact CG1-CG1 3.98Å; V12-E49 CarbonylContact C-O 3.51Å; V12-E49 WeakPolarHBondContact CA-O 3.42Å; V12-M62 HydrophobicContact CG1-CE 4.1Å; V12-I107 HydrophobicContact CG2-CD1 3.91Å
13	A	95.9	Very high	91.3	Very high	38 Å²	38	85.8 Å²	85.8	31%	0.314	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	143.6	172.6	0	0	0	0	0	110.6	V48 E49	A13-V48 CarbonylContact O-C 3.5Å; A13-V48 WeakPolarHBondContact O-CA 3.36Å; A13-E49 HydrophobicContact CB-CB 4.35Å; A13-E49 PolarHBondContact N-O 3.21Å; A13-E49 PolarHBondContact O-N 2.97Å
14	L	96.2	Very high	92.1	Very high	33 Å²	33	85.1 Å²	85.1	17%	0.173	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	136.9	175.2	-69.1	87.4	0	0	0	109.9	V12 V23 L40 R47 V48	V12-L14 HydrophobicContact CG1-CD1 3.98Å; L14-V23 HydrophobicContact CB-CG2 3.8Å; L14-V23 WeakPolarHBondContact O-CG2 3.31Å; L14-L40 HydrophobicContact CD2-CD2 4.2Å; L14-R47 WeakPolarHBondContact CA-O 3.46Å; L14-V48 HydrophobicContact CG-CG2 4.37Å
15	R	96.6	Very high	92.6	Very high	120 Å²	120	84.7 Å²	84.7	45%	0.453	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	135.8	172.9	-60.4	-64.8	-174.6	-148.3	1	109.8	D20 G21 Y46 R47	R15-D20 HydrophobicContact CB-CB 4.37Å; R15-G21 WeakPolarHBondContact CA-O 3.45Å; R15-Y46 CarbonylContact O-C 3.59Å; R15-Y46 WeakPolarHBondContact O-CA 3.37Å; R15-R47 PolarHBondContact N-O 2.73Å; R15-R47 PolarHBondContact O-N 3.03Å
16	I	96.5	Very high	92.9	Very high	40 Å²	40	84.4 Å²	84.4	21%	0.205	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	133.4	176.6	-165	170.7	0	0	0	110.2	D20 G21 L41 Y46	I16-D20 CarbonylContact O-C 3.53Å; I16-D20 WeakPolarHBondContact O-CA 3.15Å; I16-D20 PolarHBondContact O-N 3.07Å; I16-D20 VanDerWaalsContact O-N 3.11Å; I16-G21 PolarHBondContact N-O 3.22Å; I16-G21 PolarHBondContact O-N 2.88Å; I16-L41 HydrophobicContact CD1-CD1 3.89Å; I16-Y46 HydrophobicContact CB-CD1 4.19Å; I16-Y46 HydrophobicContact CB-CE1 4.01Å; I16-Y46 HydrophobicContact CD1-CE1 4.34Å; I16-Y46 HydrophobicContact CG1-CD1 4.39Å; I16-Y46 HydrophobicContact CG1-CE1 4Å
17	Q	96.4	Very high	93.1	Very high	67 Å²	67	84.5 Å²	84.5	31%	0.313	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	153.7	178.1	-70.7	-68.4	-53.8	0	0	111.1	D20 K45 R47	Q17-D20 PolarHBondContact NE2-OD1 3.1Å; Q17-K45 HydrophobicContact CB-CB 4Å; Q17-K45 WeakPolarHBondContact CB-O 3.45Å; Q17-K45 PolarHBondContact N-O 2.9Å; Q17-R47 HydrophobicContact CG-CB 4.29Å
18	P	94.6	Very high	92.5	Very high	107 Å²	107	79.5 Å²	79.5	70%	0.695	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	cis	-87.1	-8.7	6.8	33.2	-34.7	0	0	0	115.4	D20	P18-D20 PolarHBondContact O-N 3.05Å
19	N	93.1	Very high	91.8	Very high	146 Å²	146	77.1 Å²	77.1	78%	0.781	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	12.5	-165.5	-60.3	-29.1	0	0	0	114.7	G21	N19-G21 PolarHBondContact O-N 3.12Å; N19-G21 VanDerWaalsContact O-N 3.16Å
20	D	93.6	Very high	90.9	Very high	64 Å²	64	80.8 Å²	80.8	34%	0.342	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	37.3	-170.7	-80.4	-31.3	0	0	0	113.7	R15 I16 Q17 P18 R47	R15-D20 HydrophobicContact CB-CB 4.37Å; I16-D20 CarbonylContact O-C 3.53Å; I16-D20 WeakPolarHBondContact O-CA 3.15Å; I16-D20 PolarHBondContact O-N 3.07Å; I16-D20 VanDerWaalsContact O-N 3.11Å; Q17-D20 PolarHBondContact NE2-OD1 3.1Å; P18-D20 PolarHBondContact O-N 3.05Å; D20-R47 VanDerWaalsContact CG-NH1 3.34Å; D20-R47 IonicContact OD1-CZ 3.36Å; D20-R47 IonicContact OD1-NE 3.72Å; D20-R47 IonicContact OD1-NH1 2.71Å; D20-R47 PolarHBondContact OD1-NH1 2.66Å; D20-R47 IonicContact OD1-NH2 3.56Å; D20-R47 IonicContact OD2-CZ 3.74Å; D20-R47 IonicContact OD2-NH1 3.79Å; D20-R47 PolarHBondContact OD2-NH1 2.83Å; D20-R47 IonicContact OD2-NH2 3.35Å
21	G	93.4	Very high	90	Very high	15 Å²	15	85.9 Å²	85.9	16%	0.155	45%	0.452	C	S	.	.	B	Isolated β-bridge	trans	-71.4	172.2	-176	0	0	0	0	0	113.6	R15 I16 N19	R15-G21 WeakPolarHBondContact CA-O 3.45Å; I16-G21 PolarHBondContact N-O 3.22Å; I16-G21 PolarHBondContact O-N 2.88Å; N19-G21 PolarHBondContact O-N 3.12Å; N19-G21 VanDerWaalsContact O-N 3.16Å
22	P	92.8	Very high	88.8	Confident	77 Å²	77	82.8 Å²	82.8	50%	0.5	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-69.8	148.1	179.7	29.8	-35.3	0	0	0	112.5	F24	P22-F24 HydrophobicContact CG-CE1 4.32Å; P22-F24 HydrophobicContact CG-CE2 4.26Å; P22-F24 HydrophobicContact CG-CZ 3.84Å
23	V	93	Very high	87.9	Confident	38 Å²	38	82.8 Å²	82.8	23%	0.23	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-97.6	126.7	163	178.7	0	0	0	0	108.3	L14 I38 L40 Y46	L14-V23 HydrophobicContact CB-CG2 3.8Å; L14-V23 WeakPolarHBondContact O-CG2 3.31Å; V23-I38 HydrophobicContact CG1-CG2 3.53Å; V23-L40 HydrophobicContact CG1-CD2 4.49Å; V23-Y46 HydrophobicContact CG2-CD1 3.93Å; V23-Y46 HydrophobicContact CG2-CE1 3.92Å
24	F	88.8	Confident	87	Confident	148 Å²	148	87 Å²	87	65%	0.649	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-87.5	148.5	-176.7	-60.5	-82.7	0	0	0	111.4	P22 K39	P22-F24 HydrophobicContact CG-CE1 4.32Å; P22-F24 HydrophobicContact CG-CE2 4.26Å; P22-F24 HydrophobicContact CG-CZ 3.84Å; F24-K39 PolarHBondContact O-N 2.86Å
25	F	87.5	Confident	86.4	Confident	115 Å²	115	89 Å²	89	50%	0.504	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	157.5	168.8	67.8	-84	0	0	0	110.6	V27 R36 T37	F25-V27 HydrophobicContact CD2-CG2 3.98Å; F25-V27 HydrophobicContact CE2-CG2 3.58Å; F25-R36 HydrophobicContact CD2-CB 4.26Å; F25-R36 HydrophobicContact CD2-CG 4.19Å; F25-R36 HydrophobicContact CE2-CG 4.36Å; F25-T37 CarbonylContact C-O 3.57Å; F25-T37 WeakPolarHBondContact CA-O 3.39Å; F25-T37 WeakPolarHBondContact CB-O 3.31Å
26	K	82.5	Confident	85.8	Confident	100 Å²	100	91.2 Å²	91.2	44%	0.435	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	142	171	-68.1	-65.6	-172.6	175.3	0	109	R36 T37	K26-R36 VanDerWaalsContact O-CA 3.26Å; K26-R36 WeakPolarHBondContact O-CA 3.43Å; K26-T37 PolarHBondContact N-O 3.32Å; K26-T37 PolarHBondContact O-N 3.15Å
27	V	84.9	Confident	85.2	Confident	99 Å²	99	90.9 Å²	90.9	60%	0.6	49%	0.489	S	S	*	.			trans	-103.4	96.2	171.2	-177	0	0	0	0	106.2	F25 S35 R36	F25-V27 HydrophobicContact CD2-CG2 3.98Å; F25-V27 HydrophobicContact CE2-CG2 3.58Å; V27-S35 WeakPolarHBondContact CA-O 3.34Å; V27-R36 HydrophobicContact CG2-CG 4.38Å
28	D	77.6	Confident	84.8	Confident	43 Å²	43	92.9 Å²	92.9	23%	0.23	50%	0.5	C	S	.	.			trans	-101	7	-175.3	-68.9	-31.2	0	0	0	112	R31 F32 S35 R100	D28-R31 VanDerWaalsContact O-CB 3.3Å; D28-R31 WeakPolarHBondContact O-CB 3.47Å; D28-R31 PolarHBondContact O-N 2.73Å; D28-F32 HydrophobicContact CB-CD2 3.45Å; D28-F32 VanDerWaalsContact CB-CD2 3.45Å; D28-F32 HydrophobicContact CB-CE2 3.75Å; D28-F32 WeakPolarHBondContact OD2-CD2 3.42Å; D28-S35 PolarHBondContact N-O 2.8Å; D28-R100 IonicContact OD2-NE 3.45Å; D28-R100 IonicContact OD2-NH2 3.87Å; D28-R100 PolarHBondContact OD2-NH2 2.83Å
29	G	79.9	Confident	84.4	Confident	36 Å²	36	92.9 Å²	92.9	37%	0.371	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	-143.6	-177.7	0	0	0	0	0	111.7	R31 Q34 S35	G29-R31 VanDerWaalsContact C-N 3.26Å; G29-R31 PolarHBondContact O-N 2.9Å; G29-Q34 CarbonylContact O-C 3.56Å; G29-Q34 VanDerWaalsContact O-O 3.05Å; G29-S35 VanDerWaalsContact O-CA 3.3Å; G29-S35 WeakPolarHBondContact O-CA 3.26Å
30	T	76.6	Confident	84.3	Confident	141 Å²	141	88 Å²	88	87%	0.865	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	2.1	178.8	50.9	0	0	0	0	113.7	F32 G33	T30-F32 VanDerWaalsContact C-N 3.27Å; T30-F32 PolarHBondContact O-N 2.89Å; T30-G33 PolarHBondContact O-N 3.44Å
31	R	75.8	Confident	84.1	Confident	185 Å²	185	88.7 Å²	88.7	70%	0.698	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-32.8	-171.9	-174	177.9	172.9	179.1	-1	113.8	D28 G29	D28-R31 VanDerWaalsContact O-CB 3.3Å; D28-R31 WeakPolarHBondContact O-CB 3.47Å; D28-R31 PolarHBondContact O-N 2.73Å; G29-R31 VanDerWaalsContact C-N 3.26Å; G29-R31 PolarHBondContact O-N 2.9Å
32	F	73.3	Confident	84.1	Confident	60 Å²	60	91 Å²	91	26%	0.263	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.2	27	-175.5	-54.1	-64.4	0	0	0	112.9	D28 T30 Q34 R100	D28-F32 HydrophobicContact CB-CD2 3.45Å; D28-F32 VanDerWaalsContact CB-CD2 3.45Å; D28-F32 HydrophobicContact CB-CE2 3.75Å; D28-F32 WeakPolarHBondContact OD2-CD2 3.42Å; T30-F32 VanDerWaalsContact C-N 3.27Å; T30-F32 PolarHBondContact O-N 2.89Å; F32-Q34 PolarHBondContact O-N 3.3Å; F32-R100 HydrophobicContact CD1-CB 4.41Å; F32-R100 HydrophobicContact CD1-CG 4.08Å; F32-R100 HydrophobicContact CD2-CG 4.12Å; F32-R100 HydrophobicContact CE1-CG 4.21Å; F32-R100 HydrophobicContact CE2-CG 4.27Å; F32-R100 HydrophobicContact CG-CG 4.04Å; F32-R100 HydrophobicContact CZ-CG 4.3Å
33	G	76.1	Confident	84.1	Confident	66 Å²	66	90.2 Å²	90.2	68%	0.68	48%	0.483	S	S	*	.	S	Bend	trans	70.4	-7.4	178.4	0	0	0	0	0	115.3	T30	T30-G33 PolarHBondContact O-N 3.44Å
34	Q	78.5	Confident	84.2	Confident	127 Å²	127	89.5 Å²	89.5	59%	0.593	48%	0.48	S	S	*	.	S	Bend	trans	-132.8	132.1	174.2	-66.2	-61.2	-27.9	0	0	109.9	G29 F32 R36 T37	G29-Q34 CarbonylContact O-C 3.56Å; G29-Q34 VanDerWaalsContact O-O 3.05Å; F32-Q34 PolarHBondContact O-N 3.3Å; Q34-R36 PolarHBondContact O-N 3.02Å; Q34-T37 HydrophobicContact CB-CG2 4.34Å
35	S	82	Confident	84.6	Confident	75 Å²	75	85.5 Å²	85.5	52%	0.524	46%	0.462	S	S	.	.	S	Bend	trans	-67.8	-23.6	-179	62.9	0	0	0	0	113.2	V27 D28 G29	V27-S35 WeakPolarHBondContact CA-O 3.34Å; D28-S35 PolarHBondContact N-O 2.8Å; G29-S35 VanDerWaalsContact O-CA 3.3Å; G29-S35 WeakPolarHBondContact O-CA 3.26Å
36	R	83.9	Confident	85.1	Confident	167 Å²	167	80.2 Å²	80.2	63%	0.63	44%	0.439	S	S	*	.			trans	-138.9	135.7	177.8	-60.1	-176.8	-177.4	-178.2	1.3	110.5	F25 K26 V27 Q34	F25-R36 HydrophobicContact CD2-CB 4.26Å; F25-R36 HydrophobicContact CD2-CG 4.19Å; F25-R36 HydrophobicContact CE2-CG 4.36Å; K26-R36 VanDerWaalsContact O-CA 3.26Å; K26-R36 WeakPolarHBondContact O-CA 3.43Å; V27-R36 HydrophobicContact CG2-CG 4.38Å; Q34-R36 PolarHBondContact O-N 3.02Å
37	T	84.1	Confident	85.9	Confident	33 Å²	33	79 Å²	79	20%	0.202	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	141.2	174.6	60.7	0	0	0	0	110.5	F25 K26 Q34	F25-T37 CarbonylContact C-O 3.57Å; F25-T37 WeakPolarHBondContact CA-O 3.39Å; F25-T37 WeakPolarHBondContact CB-O 3.31Å; K26-T37 PolarHBondContact N-O 3.32Å; K26-T37 PolarHBondContact O-N 3.15Å; Q34-T37 HydrophobicContact CB-CG2 4.34Å
38	I	87.9	Confident	86.5	Confident	108 Å²	108	74.3 Å²	74.3	55%	0.554	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.9	136.3	173.8	-64.1	171.2	0	0	0	109.2	V23 L40	V23-I38 HydrophobicContact CG1-CG2 3.53Å; I38-L40 HydrophobicContact CG2-CD2 3.82Å; I38-L40 HydrophobicContact CG2-CG 4.24Å
39	K	86.6	Confident	87.5	Confident	107 Å²	107	75.7 Å²	75.7	47%	0.465	41%	0.408	S	S	.	.			trans	-99.2	110.6	173.2	-172.5	-178.9	177.7	-172	0	109.8	F24	F24-K39 PolarHBondContact O-N 2.86Å
40	L	90.6	Very high	88.3	Confident	43 Å²	43	74 Å²	74	23%	0.225	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-94.1	140.1	170.5	-55.1	175.3	0	0	0	109.3	L14 V23 I38 Y46 I64 Y87 I103	L14-L40 HydrophobicContact CD2-CD2 4.2Å; V23-L40 HydrophobicContact CG1-CD2 4.49Å; I38-L40 HydrophobicContact CG2-CD2 3.82Å; I38-L40 HydrophobicContact CG2-CG 4.24Å; L40-Y46 HydrophobicContact CD2-CE1 4.36Å; L40-I64 HydrophobicContact CD1-CG2 4.47Å; L40-Y87 HydrophobicContact CD1-CE1 4Å; L40-I103 HydrophobicContact CD1-CD1 3.87Å
41	L	91.3	Very high	89.4	Confident	79 Å²	79	67.9 Å²	67.9	41%	0.414	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-96.1	136.1	174.8	-58.2	-179.5	0	0	0	107.6	I16 S44 Y46 T89	I16-L41 HydrophobicContact CD1-CD1 3.89Å; L41-S44 WeakPolarHBondContact CB-OG 3.41Å; L41-Y46 WeakPolarHBondContact CB-OH 3.36Å; L41-Y46 PolarHBondContact N-OH 2.87Å; L41-T89 PolarHBondContact O-OG1 2.71Å
42	T	91.9	Very high	90.4	Very high	65 Å²	65	59.1 Å²	59.1	40%	0.399	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	152.2	170.8	54.6	0	0	0	0	110.3	S44 V92 H94	T42-S44 PolarHBondContact O-N 2.9Å; T42-V92 WeakPolarHBondContact CB-O 3.36Å; T42-V92 HydrophobicContact CG2-CB 4.44Å; T42-V92 HydrophobicContact CG2-CG1 4.36Å; T42-V92 WeakPolarHBondContact CG2-O 3.5Å; T42-H94 HydrophobicContact CG2-CB 4.05Å
43	G	93.8	Very high	91.5	Very high	59 Å²	59	59.9 Å²	59.9	61%	0.608	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	19.7	-178.5	0	0	0	0	0	113.9	T89	G43-T89 PolarHBondContact N-O 3Å; G43-T89 PolarHBondContact N-OG1 3.27Å
44	S	95.3	Very high	92.4	Very high	24 Å²	24	59 Å²	59	17%	0.168	31%	0.307	C	S	.	.			trans	-117.4	155.4	-180	-63.4	0	0	0	0	111.5	L41 T42 T89	L41-S44 WeakPolarHBondContact CB-OG 3.41Å; T42-S44 PolarHBondContact O-N 2.9Å; S44-T89 PolarHBondContact N-OG1 3Å; S44-T89 PolarHBondContact O-N 2.83Å; S44-T89 PolarHBondContact O-OG1 3.36Å
45	K	97.3	Very high	93.2	Very high	64 Å²	64	53.1 Å²	53.1	28%	0.278	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	142.9	175.8	-76.5	145.9	176.9	154.4	0	109.3	Q17 Y87 D88 E90	Q17-K45 HydrophobicContact CB-CB 4Å; Q17-K45 WeakPolarHBondContact CB-O 3.45Å; Q17-K45 PolarHBondContact N-O 2.9Å; K45-Y87 CarbonylContact C-O 3.57Å; K45-Y87 WeakPolarHBondContact CA-O 3.48Å; K45-D88 WeakPolarHBondContact CE-OD1 3.41Å; K45-D88 WeakPolarHBondContact CE-OD2 3.45Å; K45-D88 HydrophobicContact CG-CB 4.23Å; K45-D88 WeakPolarHBondContact CG-OD1 3.21Å; K45-D88 IonicContact NZ-OD2 3.63Å; K45-E90 IonicContact NZ-OE2 2.95Å; K45-E90 PolarHBondContact NZ-OE2 2.91Å
46	Y	97.8	Very high	93.8	Very high	3 Å²	3	52.8 Å²	52.8	1%	0.012	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	135.8	179.7	-61.3	-91.1	0	0	0	109.9	R15 I16 V23 L40 L41 Y87 T89	R15-Y46 CarbonylContact O-C 3.59Å; R15-Y46 WeakPolarHBondContact O-CA 3.37Å; I16-Y46 HydrophobicContact CB-CD1 4.19Å; I16-Y46 HydrophobicContact CB-CE1 4.01Å; I16-Y46 HydrophobicContact CD1-CE1 4.34Å; I16-Y46 HydrophobicContact CG1-CD1 4.39Å; I16-Y46 HydrophobicContact CG1-CE1 4Å; V23-Y46 HydrophobicContact CG2-CD1 3.93Å; V23-Y46 HydrophobicContact CG2-CE1 3.92Å; L40-Y46 HydrophobicContact CD2-CE1 4.36Å; L41-Y46 WeakPolarHBondContact CB-OH 3.36Å; L41-Y46 PolarHBondContact N-OH 2.87Å; Y46-Y87 AromaticContact CD2-CD1 3.64Å; Y46-Y87 HydrophobicContact CD2-CD1 3.64Å; Y46-Y87 HydrophobicContact CD2-CE1 4.11Å; Y46-Y87 HydrophobicContact CE2-CD1 4.43Å; Y46-Y87 HydrophobicContact CE2-CE1 4.48Å; Y46-Y87 HydrophobicContact CG-CD1 4.18Å; Y46-Y87 PolarHBondContact N-O 2.85Å; Y46-Y87 PolarHBondContact O-N 2.91Å; Y46-T89 HydrophobicContact CD2-CG2 4.35Å; Y46-T89 HydrophobicContact CE2-CG2 4.07Å
47	R	97.9	Very high	94.3	Very high	76 Å²	76	45.4 Å²	45.4	29%	0.287	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	124.3	160.6	-173.2	177.6	81.1	-155.8	-0.8	107.3	L14 R15 Q17 D20	L14-R47 WeakPolarHBondContact CA-O 3.46Å; R15-R47 PolarHBondContact N-O 2.73Å; R15-R47 PolarHBondContact O-N 3.03Å; Q17-R47 HydrophobicContact CG-CB 4.29Å; D20-R47 VanDerWaalsContact CG-NH1 3.34Å; D20-R47 IonicContact OD1-CZ 3.36Å; D20-R47 IonicContact OD1-NE 3.72Å; D20-R47 IonicContact OD1-NH1 2.71Å; D20-R47 PolarHBondContact OD1-NH1 2.66Å; D20-R47 IonicContact OD1-NH2 3.56Å; D20-R47 IonicContact OD2-CZ 3.74Å; D20-R47 IonicContact OD2-NH1 3.79Å; D20-R47 PolarHBondContact OD2-NH1 2.83Å; D20-R47 IonicContact OD2-NH2 3.35Å
48	V	98.1	Very high	94.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128.7	172.9	-174.1	0	0	0	0	107.1	V12 A13 L14 V50 M62 I64 F69 H84 G85	V12-V48 HydrophobicContact CG1-CG1 3.98Å; A13-V48 CarbonylContact O-C 3.5Å; A13-V48 WeakPolarHBondContact O-CA 3.36Å; L14-V48 HydrophobicContact CG-CG2 4.37Å; V48-V50 HydrophobicContact CG1-CG2 4.03Å; V48-M62 HydrophobicContact CG1-SD 3.79Å; V48-I64 HydrophobicContact CG2-CD1 4.38Å; V48-F69 HydrophobicContact CB-CE2 4.18Å; V48-F69 HydrophobicContact CB-CZ 4.37Å; V48-F69 HydrophobicContact CG2-CE2 4.08Å; V48-F69 HydrophobicContact CG2-CZ 3.88Å; V48-H84 CarbonylContact O-C 3.57Å; V48-H84 VanDerWaalsContact O-CA 3.28Å; V48-H84 WeakPolarHBondContact O-CA 3.44Å; V48-G85 PolarHBondContact N-O 2.88Å; V48-G85 PolarHBondContact O-N 3.45Å
49	E	98.2	Very high	95.4	Very high	71 Å²	71	43.4 Å²	43.4	33%	0.332	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	130.3	171.2	179.8	174.5	107.3	0	0	108.3	V12 A13 V82 Y83 H84	V12-E49 CarbonylContact C-O 3.51Å; V12-E49 WeakPolarHBondContact CA-O 3.42Å; A13-E49 HydrophobicContact CB-CB 4.35Å; A13-E49 PolarHBondContact N-O 3.21Å; A13-E49 PolarHBondContact O-N 2.97Å; E49-V82 HydrophobicContact CG-CG1 3.8Å; E49-Y83 CarbonylContact C-O 3.5Å; E49-Y83 WeakPolarHBondContact CA-O 3.44Å; E49-H84 IonicContact OE2-CD2 2.87Å; E49-H84 IonicContact OE2-CE1 3.7Å; E49-H84 IonicContact OE2-NE2 2.66Å; E49-H84 PolarHBondContact OE2-NE2 2.83Å
50	V	98.3	Very high	95.9	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	117.3	179.5	-175.7	0	0	0	0	108.1	I10 Q11 V48 V52 M62 L71 V82 Y83 I107	I10-V50 HydrophobicContact CG2-CG1 4.08Å; Q11-V50 CarbonylContact O-C 3.56Å; Q11-V50 VanDerWaalsContact O-CA 3.3Å; Q11-V50 WeakPolarHBondContact O-CA 3.24Å; V48-V50 HydrophobicContact CG1-CG2 4.03Å; V50-V52 HydrophobicContact CG1-CG2 3.86Å; V50-M62 HydrophobicContact CG2-SD 4.15Å; V50-L71 HydrophobicContact CB-CD1 4.43Å; V50-L71 HydrophobicContact CG2-CD1 4.17Å; V50-L71 HydrophobicContact CG2-CD2 3.89Å; V50-V82 CarbonylContact O-C 3.59Å; V50-V82 WeakPolarHBondContact O-CA 3.47Å; V50-Y83 PolarHBondContact N-O 2.93Å; V50-Y83 PolarHBondContact O-N 3.22Å; V50-I107 HydrophobicContact CG1-CD1 4.28Å
51	A	98.2	Very high	96.2	Very high	14 Å²	14	40.8 Å²	40.8	12%	0.116	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	127.4	170.2	0	0	0	0	0	109.3	I10 Q11 V81 V82	I10-A51 WeakPolarHBondContact CA-O 3.33Å; Q11-A51 HydrophobicContact CB-CB 4.25Å; Q11-A51 PolarHBondContact N-O 3.35Å; Q11-A51 PolarHBondContact O-N 2.85Å; A51-V81 CarbonylContact C-O 3.49Å; A51-V81 WeakPolarHBondContact CA-O 3.26Å; A51-V82 HydrophobicContact CB-CG2 4.17Å
52	V	97.5	Very high	96.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	135.7	-178.2	-175.1	0	0	0	0	109.2	I8 T9 V50 L57 A59 S80 V81 Y83 V109	I8-V52 HydrophobicContact CG2-CG1 4.39Å; T9-V52 CarbonylContact O-C 3.54Å; T9-V52 WeakPolarHBondContact O-CA 3.41Å; V50-V52 HydrophobicContact CG1-CG2 3.86Å; V52-L57 HydrophobicContact CG1-CB 3.82Å; V52-L57 HydrophobicContact CG1-CD1 3.7Å; V52-L57 HydrophobicContact CG1-CG 4.42Å; V52-A59 HydrophobicContact CG2-CB 4.15Å; V52-S80 CarbonylContact O-C 3.6Å; V52-S80 VanDerWaalsContact O-CA 3.24Å; V52-S80 WeakPolarHBondContact O-CA 3.39Å; V52-V81 PolarHBondContact N-O 3.42Å; V52-V81 PolarHBondContact O-N 2.79Å; V52-Y83 HydrophobicContact CG2-CE2 4.43Å; V52-V109 HydrophobicContact CG1-CG1 4.46Å
53	K	96.3	Very high	96.8	Very high	77 Å²	77	35.8 Å²	35.8	34%	0.335	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	142.2	172.3	-53.3	-161.7	174.4	-157.1	0	110.5	I8 T9 E79	I8-K53 WeakPolarHBondContact CA-O 3.41Å; T9-K53 PolarHBondContact N-O 3.2Å; T9-K53 PolarHBondContact O-N 3.39Å; K53-E79 VanDerWaalsContact CB-O 3.31Å; K53-E79 WeakPolarHBondContact CB-O 3.34Å; K53-E79 VanDerWaalsContact CG-O 3.31Å; K53-E79 WeakPolarHBondContact CG-O 3.3Å; K53-E79 IonicContact NZ-OE2 3.61Å
54	P	95.4	Very high	96.9	Very high	47 Å²	47	33.3 Å²	33.3	31%	0.305	18%	0.178	S	C	.	.	S	Bend	cis	-75.2	166.7	-0.3	30.7	-36.7	0	0	0	113.9	A56 L57 E79	P54-A56 PolarHBondContact O-N 2.97Å; P54-A56 VanDerWaalsContact O-N 3.1Å; P54-L57 HydrophobicContact CG-CD1 4.45Å; P54-L57 HydrophobicContact CG-CG 4.26Å; P54-L57 WeakPolarHBondContact O-CB 3.2Å; P54-L57 PolarHBondContact O-N 2.91Å; P54-L57 VanDerWaalsContact O-N 3.07Å; P54-E79 CarbonylContact C-O 3.58Å; P54-E79 WeakPolarHBondContact CA-O 3.49Å
55	G	95.4	Very high	96.7	Very high	4 Å²	4	34.3 Å²	34.3	4%	0.041	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-9.5	-175.4	0	0	0	0	0	115.8	L57 R76 D77 E78 E79 V81	G55-L57 VanDerWaalsContact C-N 3.3Å; G55-R76 PolarHBondContact O-NH1 3.35Å; G55-D77 WeakPolarHBondContact CA-O 3.39Å; G55-E78 PolarHBondContact N-O 2.8Å; G55-E78 VanDerWaalsContact N-O 3.12Å; G55-E79 VanDerWaalsContact N-C 3.31Å; G55-E79 PolarHBondContact N-O 2.85Å; G55-V81 WeakPolarHBondContact O-CG2 3.31Å
56	A	94.4	Very high	96.6	Very high	68 Å²	68	34.1 Å²	34.1	56%	0.562	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-23.1	171.7	0	0	0	0	0	112.9	P54	P54-A56 PolarHBondContact O-N 2.97Å; P54-A56 VanDerWaalsContact O-N 3.1Å
57	L	95.3	Very high	96.5	Very high	11 Å²	11	36.1 Å²	36.1	6%	0.058	22%	0.219	C	C	.	.			trans	-73.3	155	-178.5	-63.6	179.4	0	0	0	112.4	I8 V52 P54 G55 V81 V109 R110	I8-L57 HydrophobicContact CB-CD1 4.26Å; I8-L57 HydrophobicContact CD1-CD1 3.87Å; I8-L57 HydrophobicContact CG1-CD1 3.85Å; I8-L57 HydrophobicContact CG2-CD1 3.59Å; V52-L57 HydrophobicContact CG1-CB 3.82Å; V52-L57 HydrophobicContact CG1-CD1 3.7Å; V52-L57 HydrophobicContact CG1-CG 4.42Å; P54-L57 HydrophobicContact CG-CD1 4.45Å; P54-L57 HydrophobicContact CG-CG 4.26Å; P54-L57 WeakPolarHBondContact O-CB 3.2Å; P54-L57 PolarHBondContact O-N 2.91Å; P54-L57 VanDerWaalsContact O-N 3.07Å; G55-L57 VanDerWaalsContact C-N 3.3Å; L57-V81 WeakPolarHBondContact O-CG2 3.23Å; L57-V109 HydrophobicContact CB-CG1 4.18Å; L57-V109 HydrophobicContact CD1-CG1 4.17Å; L57-V109 HydrophobicContact CD2-CG1 4.46Å; L57-R110 WeakPolarHBondContact CA-O 3.46Å
58	E	96.1	Very high	96.5	Very high	95 Å²	95	37 Å²	37	44%	0.444	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	128.2	177	-60.2	-162.6	149.1	0	0	111.8	R76 Y83 V109 R110	E58-R76 IonicContact OE1-NH2 3.32Å; E58-R76 PolarHBondContact OE1-NH2 3.1Å; E58-Y83 WeakPolarHBondContact CA-OH 3.32Å; E58-V109 CarbonylContact O-C 3.5Å; E58-V109 VanDerWaalsContact O-CA 3.26Å; E58-V109 WeakPolarHBondContact O-CA 3.36Å; E58-R110 PolarHBondContact N-O 3Å; E58-R110 PolarHBondContact O-N 3.32Å
59	A	97.2	Very high	96.5	Very high	4 Å²	4	37.5 Å²	37.5	3%	0.033	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	130.8	169.7	0	0	0	0	0	110.5	V52 L71 Y83 I107 E108	V52-A59 HydrophobicContact CG2-CB 4.15Å; A59-L71 HydrophobicContact CB-CD1 3.78Å; A59-Y83 HydrophobicContact CB-CD2 3.93Å; A59-Y83 HydrophobicContact CB-CE2 3.72Å; A59-Y83 HydrophobicContact CB-CG 4.45Å; A59-Y83 PolarHBondContact N-OH 2.9Å; A59-Y83 VanDerWaalsContact N-OH 3.15Å; A59-Y83 WeakPolarHBondContact O-CE1 3.3Å; A59-I107 HydrophobicContact CB-CG2 4.27Å; A59-E108 VanDerWaalsContact CA-O 3.31Å; A59-E108 WeakPolarHBondContact CA-O 3.26Å
60	T	97.4	Very high	96.5	Very high	35 Å²	35	37.8 Å²	37.8	22%	0.215	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	-54.7	-171.5	47.7	0	0	0	0	112.5	L71 E108	T60-L71 PolarHBondContact O-N 3.35Å; T60-E108 PolarHBondContact N-O 3.14Å; T60-E108 WeakPolarHBondContact OG1-CB 3.37Å; T60-E108 WeakPolarHBondContact OG1-CG 2.81Å; T60-E108 PolarHBondContact OG1-OE2 3.38Å
61	N	97.8	Very high	96.5	Very high	61 Å²	61	38.4 Å²	38.4	33%	0.326	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	148.8	-175.1	-61.5	-72.4	0	0	0	110.5	V68 E108	N61-V68 HydrophobicContact CB-CG1 4.26Å; N61-E108 PolarHBondContact ND2-OE2 2.95Å; N61-E108 PolarHBondContact O-N 3.46Å
62	M	98.1	Very high	96.5	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.02	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	143.3	169.4	-174.1	169.2	-168.6	0	0	109.7	V12 V48 V50 I64 V68 F69 L71 V105 S106 I107	V12-M62 HydrophobicContact CG1-CE 4.1Å; V48-M62 HydrophobicContact CG1-SD 3.79Å; V50-M62 HydrophobicContact CG2-SD 4.15Å; M62-I64 HydrophobicContact CE-CD1 3.92Å; M62-I64 HydrophobicContact CE-CG1 3.95Å; M62-I64 HydrophobicContact CG-CG1 4.22Å; M62-I64 HydrophobicContact SD-CD1 4.26Å; M62-I64 HydrophobicContact SD-CG1 4.42Å; M62-V68 WeakPolarHBondContact O-CA 3.32Å; M62-F69 HydrophobicContact CB-CD2 4.38Å; M62-F69 HydrophobicContact CB-CE1 4.25Å; M62-F69 HydrophobicContact CB-CE2 3.74Å; M62-F69 HydrophobicContact CB-CZ 3.66Å; M62-F69 HydrophobicContact CG-CE1 4.29Å; M62-F69 HydrophobicContact CG-CE2 4.24Å; M62-F69 HydrophobicContact CG-CZ 3.71Å; M62-F69 PolarHBondContact N-O 2.82Å; M62-F69 PolarHBondContact O-N 2.87Å; M62-F69 HydrophobicContact SD-CE2 4.26Å; M62-F69 HydrophobicContact SD-CZ 3.82Å; M62-L71 HydrophobicContact CB-CD1 4.26Å; M62-L71 HydrophobicContact CB-CD2 4.31Å; M62-L71 HydrophobicContact CB-CG 4.27Å; M62-V105 HydrophobicContact CE-CG1 3.31Å; M62-S106 CarbonylContact C-O 3.59Å; M62-S106 WeakPolarHBondContact CA-O 3.39Å; M62-S106 WeakPolarHBondContact CG-O 3.33Å; M62-I107 HydrophobicContact CB-CG1 4.47Å; M62-I107 HydrophobicContact CE-CD1 4.03Å; M62-I107 HydrophobicContact CE-CG1 3.93Å; M62-I107 HydrophobicContact CG-CG1 3.9Å; M62-I107 HydrophobicContact SD-CD1 4.35Å; M62-I107 HydrophobicContact SD-CG1 4.03Å
63	N	97.5	Very high	96.6	Very high	35 Å²	35	48.4 Å²	48.4	19%	0.187	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	129.2	170.8	179.6	-9.6	0	0	0	108.6	G66 I67 V68 V105 S106	N63-G66 VanDerWaalsContact OD1-CA 3.23Å; N63-G66 WeakPolarHBondContact OD1-CA 3.3Å; N63-G66 PolarHBondContact OD1-N 3.05Å; N63-I67 VanDerWaalsContact CA-O 3.3Å; N63-I67 WeakPolarHBondContact CA-O 3.35Å; N63-I67 PolarHBondContact OD1-N 3.43Å; N63-V68 HydrophobicContact CB-CG2 4.17Å; N63-V105 VanDerWaalsContact O-CA 3.32Å; N63-V105 WeakPolarHBondContact O-CA 3.44Å; N63-S106 WeakPolarHBondContact CB-OG 3.19Å; N63-S106 PolarHBondContact N-O 3.11Å; N63-S106 PolarHBondContact O-N 3.16Å
64	I	95.7	Very high	96.6	Very high	6 Å²	6	49.5 Å²	49.5	3%	0.031	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	114.2	168.4	-57.2	176.4	0	0	0	107.6	L40 V48 M62 G66 I67 F69 Y87 I103 V105	L40-I64 HydrophobicContact CD1-CG2 4.47Å; V48-I64 HydrophobicContact CG2-CD1 4.38Å; M62-I64 HydrophobicContact CE-CD1 3.92Å; M62-I64 HydrophobicContact CE-CG1 3.95Å; M62-I64 HydrophobicContact CG-CG1 4.22Å; M62-I64 HydrophobicContact SD-CD1 4.26Å; M62-I64 HydrophobicContact SD-CG1 4.42Å; I64-G66 PolarHBondContact O-N 2.97Å; I64-I67 PolarHBondContact N-O 2.85Å; I64-I67 PolarHBondContact O-N 2.93Å; I64-I67 VanDerWaalsContact O-N 3.12Å; I64-F69 HydrophobicContact CB-CE1 4.41Å; I64-F69 HydrophobicContact CD1-CE1 3.96Å; I64-F69 HydrophobicContact CD1-CZ 3.84Å; I64-F69 HydrophobicContact CG1-CE1 3.96Å; I64-F69 HydrophobicContact CG1-CZ 4.17Å; I64-Y87 HydrophobicContact CB-CD2 3.97Å; I64-Y87 HydrophobicContact CB-CE2 3.64Å; I64-Y87 HydrophobicContact CD1-CD1 4.28Å; I64-Y87 HydrophobicContact CD1-CD2 4.32Å; I64-Y87 HydrophobicContact CD1-CG 4.1Å; I64-Y87 HydrophobicContact CG2-CD2 4.49Å; I64-Y87 HydrophobicContact CG2-CE1 4.04Å; I64-Y87 HydrophobicContact CG2-CE2 3.86Å; I64-Y87 WeakPolarHBondContact O-CE2 3.44Å; I64-I103 HydrophobicContact CG2-CG2 3.72Å; I64-V105 HydrophobicContact CG1-CG1 4.37Å; I64-V105 HydrophobicContact CG1-CG2 4.43Å; I64-V105 HydrophobicContact CG2-CG2 4.38Å
65	G	91.9	Very high	96.8	Very high	46 Å²	46	50.2 Å²	50.2	47%	0.474	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	27.7	174.1	0	0	0	0	0	114.9	Q104	G65-Q104 PolarHBondContact N-O 2.92Å
66	G	93.5	Very high	96.9	Very high	59 Å²	59	54.5 Å²	54.5	61%	0.608	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.7	-8.8	-178.4	0	0	0	0	0	114.4	N63 I64	N63-G66 VanDerWaalsContact OD1-CA 3.23Å; N63-G66 WeakPolarHBondContact OD1-CA 3.3Å; N63-G66 PolarHBondContact OD1-N 3.05Å; I64-G66 PolarHBondContact O-N 2.97Å
67	I	96.4	Very high	97	Very high	45 Å²	45	55.5 Å²	55.5	23%	0.231	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	114.9	175	-62.4	156.3	0	0	0	108.4	N63 I64 F69 Y87 D88 V92	N63-I67 VanDerWaalsContact CA-O 3.3Å; N63-I67 WeakPolarHBondContact CA-O 3.35Å; N63-I67 PolarHBondContact OD1-N 3.43Å; I64-I67 PolarHBondContact N-O 2.85Å; I64-I67 PolarHBondContact O-N 2.93Å; I64-I67 VanDerWaalsContact O-N 3.12Å; I67-F69 HydrophobicContact CG2-CD1 4.4Å; I67-Y87 HydrophobicContact CB-CD2 4.26Å; I67-Y87 HydrophobicContact CB-CE2 3.91Å; I67-Y87 HydrophobicContact CD1-CD2 4.34Å; I67-Y87 HydrophobicContact CD1-CE2 3.52Å; I67-Y87 HydrophobicContact CG1-CE2 4.31Å; I67-Y87 HydrophobicContact CG2-CD2 4.16Å; I67-Y87 HydrophobicContact CG2-CE2 4.28Å; I67-D88 WeakPolarHBondContact CD1-O 3.21Å; I67-V92 HydrophobicContact CD1-CG2 3.53Å
68	V	97.6	Very high	96.9	Very high	96 Å²	96	63.9 Å²	63.9	58%	0.582	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	130.3	176.2	-175.2	0	0	0	0	109.3	N61 M62 N63	N61-V68 HydrophobicContact CB-CG1 4.26Å; M62-V68 WeakPolarHBondContact O-CA 3.32Å; N63-V68 HydrophobicContact CB-CG2 4.17Å
69	F	98.3	Very high	96.9	Very high	10 Å²	10	65.7 Å²	65.7	4%	0.044	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	149.2	177.1	56.3	-88.3	0	0	0	111.1	V48 M62 I64 I67 L71 R86 Y87	V48-F69 HydrophobicContact CB-CE2 4.18Å; V48-F69 HydrophobicContact CB-CZ 4.37Å; V48-F69 HydrophobicContact CG2-CE2 4.08Å; V48-F69 HydrophobicContact CG2-CZ 3.88Å; M62-F69 HydrophobicContact CB-CD2 4.38Å; M62-F69 HydrophobicContact CB-CE1 4.25Å; M62-F69 HydrophobicContact CB-CE2 3.74Å; M62-F69 HydrophobicContact CB-CZ 3.66Å; M62-F69 HydrophobicContact CG-CE1 4.29Å; M62-F69 HydrophobicContact CG-CE2 4.24Å; M62-F69 HydrophobicContact CG-CZ 3.71Å; M62-F69 PolarHBondContact N-O 2.82Å; M62-F69 PolarHBondContact O-N 2.87Å; M62-F69 HydrophobicContact SD-CE2 4.26Å; M62-F69 HydrophobicContact SD-CZ 3.82Å; I64-F69 HydrophobicContact CB-CE1 4.41Å; I64-F69 HydrophobicContact CD1-CE1 3.96Å; I64-F69 HydrophobicContact CD1-CZ 3.84Å; I64-F69 HydrophobicContact CG1-CE1 3.96Å; I64-F69 HydrophobicContact CG1-CZ 4.17Å; I67-F69 HydrophobicContact CG2-CD1 4.4Å; F69-L71 HydrophobicContact CE2-CD2 4.26Å; F69-R86 WeakPolarHBondContact CB-O 3.3Å; F69-R86 WeakPolarHBondContact CG-O 3.28Å; F69-Y87 HydrophobicContact CD1-CD2 4.14Å; F69-Y87 AromaticContact CE1-CD2 3.75Å; F69-Y87 HydrophobicContact CE1-CD2 3.75Å; F69-Y87 HydrophobicContact CE1-CG 4.11Å
70	P	98.3	Very high	96.9	Very high	76 Å²	76	66.4 Å²	66.4	49%	0.494	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	153.8	178.8	31.2	-35.4	0	0	0	111.5
71	L	98.6	Very high	96.9	Very high	13 Å²	13	64.8 Å²	64.8	7%	0.068	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	116.9	170.6	-70.3	178.4	0	0	0	108.8	V50 A59 T60 M62 F69 Y83 I107	V50-L71 HydrophobicContact CB-CD1 4.43Å; V50-L71 HydrophobicContact CG2-CD1 4.17Å; V50-L71 HydrophobicContact CG2-CD2 3.89Å; A59-L71 HydrophobicContact CB-CD1 3.78Å; T60-L71 PolarHBondContact O-N 3.35Å; M62-L71 HydrophobicContact CB-CD1 4.26Å; M62-L71 HydrophobicContact CB-CD2 4.31Å; M62-L71 HydrophobicContact CB-CG 4.27Å; F69-L71 HydrophobicContact CE2-CD2 4.26Å; L71-Y83 HydrophobicContact CB-CD1 4.12Å; L71-Y83 HydrophobicContact CB-CG 4.19Å; L71-I107 HydrophobicContact CD1-CG2 4.17Å
72	E	98.4	Very high	96.9	Very high	130 Å²	130	63.1 Å²	63.1	61%	0.607	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	120.6	-179.8	-65.4	178.4	-174	0	0	109.9	Q74 Y83 H84	E72-Q74 PolarHBondContact O-N 2.81Å; E72-Q74 PolarHBondContact O-NE2 2.86Å; E72-Q74 VanDerWaalsContact O-NE2 3.1Å; E72-Y83 CarbonylContact O-C 3.58Å; E72-Y83 VanDerWaalsContact O-CA 3.32Å; E72-Y83 WeakPolarHBondContact O-CA 3.37Å; E72-H84 PolarHBondContact N-O 2.93Å; E72-H84 PolarHBondContact O-N 3.12Å
73	Q	98.2	Very high	97	Very high	95 Å²	95	63.3 Å²	63.3	44%	0.444	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	129.1	-179.9	-172.2	-177	-73.1	0	0	110.6	V81 Y83	Q73-V81 HydrophobicContact CG-CG1 3.71Å; Q73-Y83 HydrophobicContact CB-CD1 3.92Å; Q73-Y83 HydrophobicContact CB-CE1 3.77Å; Q73-Y83 HydrophobicContact CG-CE1 4.21Å
74	Q	98.1	Very high	97	Very high	99 Å²	99	63.8 Å²	63.8	46%	0.463	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-42.8	176.8	-59.6	-56.2	-52.8	0	0	111.7	E72 V82 H84	E72-Q74 PolarHBondContact O-N 2.81Å; E72-Q74 PolarHBondContact O-NE2 2.86Å; E72-Q74 VanDerWaalsContact O-NE2 3.1Å; Q74-V82 PolarHBondContact N-O 2.8Å; Q74-H84 HydrophobicContact CG-CB 3.86Å; Q74-H84 VanDerWaalsContact CG-CG 3.43Å
75	S	98	Very high	97.1	Very high	63 Å²	63	63.9 Å²	63.9	44%	0.441	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	156.4	178.4	61.7	0	0	0	0	111	V81 V82	S75-V81 WeakPolarHBondContact O-CG1 3.38Å; S75-V82 PolarHBondContact N-O 3.01Å; S75-V82 PolarHBondContact O-N 3.32Å
76	R	98.1	Very high	97.4	Very high	93 Å²	93	69.3 Å²	69.3	35%	0.351	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	136.3	176.3	-179.5	173.2	-62.4	-141.3	21.3	109.7	G55 E58 S80 V81	G55-R76 PolarHBondContact O-NH1 3.35Å; E58-R76 IonicContact OE1-NH2 3.32Å; E58-R76 PolarHBondContact OE1-NH2 3.1Å; R76-S80 WeakPolarHBondContact CA-O 3.47Å; R76-V81 HydrophobicContact CB-CG1 4.05Å; R76-V81 HydrophobicContact CG-CG1 4.3Å; R76-V81 HydrophobicContact CG-CG2 3.92Å
77	D	96.1	Very high	97.6	Very high	89 Å²	89	66.8 Å²	66.8	48%	0.476	33%	0.331	S	S	.	.			trans	-133.3	-173.3	163.2	58.4	42.6	0	0	0	109.6	G55 E79 S80	G55-D77 WeakPolarHBondContact CA-O 3.39Å; D77-E79 VanDerWaalsContact C-N 3.27Å; D77-E79 PolarHBondContact O-N 2.86Å; D77-E79 WeakPolarHBondContact OD1-CA 3.37Å; D77-E79 WeakPolarHBondContact OD1-CB 3.45Å; D77-E79 PolarHBondContact OD1-N 2.87Å; D77-S80 PolarHBondContact N-O 3.4Å; D77-S80 PolarHBondContact OD1-N 3.42Å; D77-S80 PolarHBondContact OD1-OG 2.85Å
78	E	94.1	Very high	97.7	Very high	187 Å²	187	67 Å²	67	87%	0.874	33%	0.332	S	S	*	.	S	Bend	trans	-66	-30.7	179.6	-65.7	-179.1	175.7	0	0	112.4	G55	G55-E78 PolarHBondContact N-O 2.8Å; G55-E78 VanDerWaalsContact N-O 3.12Å
79	E	95.3	Very high	97.6	Very high	134 Å²	134	62.5 Å²	62.5	63%	0.626	31%	0.305	S	S	*	.	S	Bend	trans	-85.2	-33.4	-176.7	-65.3	-167.2	-178.7	0	0	112.8	K53 P54 G55 D77	K53-E79 VanDerWaalsContact CB-O 3.31Å; K53-E79 WeakPolarHBondContact CB-O 3.34Å; K53-E79 VanDerWaalsContact CG-O 3.31Å; K53-E79 WeakPolarHBondContact CG-O 3.3Å; K53-E79 IonicContact NZ-OE2 3.61Å; P54-E79 CarbonylContact C-O 3.58Å; P54-E79 WeakPolarHBondContact CA-O 3.49Å; G55-E79 VanDerWaalsContact N-C 3.31Å; G55-E79 PolarHBondContact N-O 2.85Å; D77-E79 VanDerWaalsContact C-N 3.27Å; D77-E79 PolarHBondContact O-N 2.86Å; D77-E79 WeakPolarHBondContact OD1-CA 3.37Å; D77-E79 WeakPolarHBondContact OD1-CB 3.45Å; D77-E79 PolarHBondContact OD1-N 2.87Å
80	S	96.9	Very high	97.4	Very high	19 Å²	19	68.3 Å²	68.3	13%	0.133	33%	0.332	C	S	.	.			trans	-155.5	154.7	-167.3	69.9	0	0	0	0	115.1	V52 R76 D77	V52-S80 CarbonylContact O-C 3.6Å; V52-S80 VanDerWaalsContact O-CA 3.24Å; V52-S80 WeakPolarHBondContact O-CA 3.39Å; R76-S80 WeakPolarHBondContact CA-O 3.47Å; D77-S80 PolarHBondContact N-O 3.4Å; D77-S80 PolarHBondContact OD1-N 3.42Å; D77-S80 PolarHBondContact OD1-OG 2.85Å
81	V	98.3	Very high	97	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	133.4	168.9	-160.9	0	0	0	0	109.1	A51 V52 G55 L57 Q73 S75 R76 Y83	A51-V81 CarbonylContact C-O 3.49Å; A51-V81 WeakPolarHBondContact CA-O 3.26Å; V52-V81 PolarHBondContact N-O 3.42Å; V52-V81 PolarHBondContact O-N 2.79Å; G55-V81 WeakPolarHBondContact O-CG2 3.31Å; L57-V81 WeakPolarHBondContact O-CG2 3.23Å; Q73-V81 HydrophobicContact CG-CG1 3.71Å; S75-V81 WeakPolarHBondContact O-CG1 3.38Å; R76-V81 HydrophobicContact CB-CG1 4.05Å; R76-V81 HydrophobicContact CG-CG1 4.3Å; R76-V81 HydrophobicContact CG-CG2 3.92Å; V81-Y83 HydrophobicContact CB-CD2 4.46Å; V81-Y83 HydrophobicContact CB-CE2 3.63Å; V81-Y83 HydrophobicContact CG1-CD2 4.24Å; V81-Y83 HydrophobicContact CG1-CE1 4.19Å; V81-Y83 HydrophobicContact CG1-CE2 3.47Å; V81-Y83 VanDerWaalsContact CG1-CE2 3.47Å; V81-Y83 VanDerWaalsContact CG1-CZ 3.42Å; V81-Y83 WeakPolarHBondContact CG1-OH 3.45Å
82	V	98.5	Very high	96.7	Very high	27 Å²	27	70.3 Å²	70.3	16%	0.164	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	131	177.2	-176.5	0	0	0	0	109.4	E49 V50 A51 Q74 S75	E49-V82 HydrophobicContact CG-CG1 3.8Å; V50-V82 CarbonylContact O-C 3.59Å; V50-V82 WeakPolarHBondContact O-CA 3.47Å; A51-V82 HydrophobicContact CB-CG2 4.17Å; Q74-V82 PolarHBondContact N-O 2.8Å; S75-V82 PolarHBondContact N-O 3.01Å; S75-V82 PolarHBondContact O-N 3.32Å
83	Y	98.7	Very high	96.2	Very high	8 Å²	8	69.4 Å²	69.4	3%	0.031	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	146.9	179	-58.6	-94.3	0	0	0	111.2	E49 V50 V52 E58 A59 L71 E72 Q73 V81	E49-Y83 CarbonylContact C-O 3.5Å; E49-Y83 WeakPolarHBondContact CA-O 3.44Å; V50-Y83 PolarHBondContact N-O 2.93Å; V50-Y83 PolarHBondContact O-N 3.22Å; V52-Y83 HydrophobicContact CG2-CE2 4.43Å; E58-Y83 WeakPolarHBondContact CA-OH 3.32Å; A59-Y83 HydrophobicContact CB-CD2 3.93Å; A59-Y83 HydrophobicContact CB-CE2 3.72Å; A59-Y83 HydrophobicContact CB-CG 4.45Å; A59-Y83 PolarHBondContact N-OH 2.9Å; A59-Y83 VanDerWaalsContact N-OH 3.15Å; A59-Y83 WeakPolarHBondContact O-CE1 3.3Å; L71-Y83 HydrophobicContact CB-CD1 4.12Å; L71-Y83 HydrophobicContact CB-CG 4.19Å; E72-Y83 CarbonylContact O-C 3.58Å; E72-Y83 VanDerWaalsContact O-CA 3.32Å; E72-Y83 WeakPolarHBondContact O-CA 3.37Å; Q73-Y83 HydrophobicContact CB-CD1 3.92Å; Q73-Y83 HydrophobicContact CB-CE1 3.77Å; Q73-Y83 HydrophobicContact CG-CE1 4.21Å; V81-Y83 HydrophobicContact CB-CD2 4.46Å; V81-Y83 HydrophobicContact CB-CE2 3.63Å; V81-Y83 HydrophobicContact CG1-CD2 4.24Å; V81-Y83 HydrophobicContact CG1-CE1 4.19Å; V81-Y83 HydrophobicContact CG1-CE2 3.47Å; V81-Y83 VanDerWaalsContact CG1-CE2 3.47Å; V81-Y83 VanDerWaalsContact CG1-CZ 3.42Å; V81-Y83 WeakPolarHBondContact CG1-OH 3.45Å
84	H	98.5	Very high	95.6	Very high	44 Å²	44	71.9 Å²	71.9	20%	0.204	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	138.7	168	-71.8	177.6	0	0	0	110.7	V48 E49 E72 Q74	V48-H84 CarbonylContact O-C 3.57Å; V48-H84 VanDerWaalsContact O-CA 3.28Å; V48-H84 WeakPolarHBondContact O-CA 3.44Å; E49-H84 IonicContact OE2-CD2 2.87Å; E49-H84 IonicContact OE2-CE1 3.7Å; E49-H84 IonicContact OE2-NE2 2.66Å; E49-H84 PolarHBondContact OE2-NE2 2.83Å; E72-H84 PolarHBondContact N-O 2.93Å; E72-H84 PolarHBondContact O-N 3.12Å; Q74-H84 HydrophobicContact CG-CB 3.86Å; Q74-H84 VanDerWaalsContact CG-CG 3.43Å
85	G	98.3	Very high	94.9	Very high	8 Å²	8	70.1 Å²	70.1	8%	0.082	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	159.5	172.2	0	0	0	0	0	111	V48	V48-G85 PolarHBondContact N-O 2.88Å; V48-G85 PolarHBondContact O-N 3.45Å
86	R	98.1	Very high	94.3	Very high	160 Å²	160	75.1 Å²	75.1	60%	0.604	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.2	110	176.8	-170.5	-178.9	-173.3	173.8	5.2	110	F69	F69-R86 WeakPolarHBondContact CB-O 3.3Å; F69-R86 WeakPolarHBondContact CG-O 3.28Å
87	Y	97.7	Very high	93.3	Very high	7 Å²	7	77 Å²	77	3%	0.027	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	114.5	175	173.5	-122.4	0	0	0	109.9	L40 K45 Y46 I64 I67 F69 T89	L40-Y87 HydrophobicContact CD1-CE1 4Å; K45-Y87 CarbonylContact C-O 3.57Å; K45-Y87 WeakPolarHBondContact CA-O 3.48Å; Y46-Y87 AromaticContact CD2-CD1 3.64Å; Y46-Y87 HydrophobicContact CD2-CD1 3.64Å; Y46-Y87 HydrophobicContact CD2-CE1 4.11Å; Y46-Y87 HydrophobicContact CE2-CD1 4.43Å; Y46-Y87 HydrophobicContact CE2-CE1 4.48Å; Y46-Y87 HydrophobicContact CG-CD1 4.18Å; Y46-Y87 PolarHBondContact N-O 2.85Å; Y46-Y87 PolarHBondContact O-N 2.91Å; I64-Y87 HydrophobicContact CB-CD2 3.97Å; I64-Y87 HydrophobicContact CB-CE2 3.64Å; I64-Y87 HydrophobicContact CD1-CD1 4.28Å; I64-Y87 HydrophobicContact CD1-CD2 4.32Å; I64-Y87 HydrophobicContact CD1-CG 4.1Å; I64-Y87 HydrophobicContact CG2-CD2 4.49Å; I64-Y87 HydrophobicContact CG2-CE1 4.04Å; I64-Y87 HydrophobicContact CG2-CE2 3.86Å; I64-Y87 WeakPolarHBondContact O-CE2 3.44Å; I67-Y87 HydrophobicContact CB-CD2 4.26Å; I67-Y87 HydrophobicContact CB-CE2 3.91Å; I67-Y87 HydrophobicContact CD1-CD2 4.34Å; I67-Y87 HydrophobicContact CD1-CE2 3.52Å; I67-Y87 HydrophobicContact CG1-CE2 4.31Å; I67-Y87 HydrophobicContact CG2-CD2 4.16Å; I67-Y87 HydrophobicContact CG2-CE2 4.28Å; F69-Y87 HydrophobicContact CD1-CD2 4.14Å; F69-Y87 AromaticContact CE1-CD2 3.75Å; F69-Y87 HydrophobicContact CE1-CD2 3.75Å; F69-Y87 HydrophobicContact CE1-CG 4.11Å; Y87-T89 HydrophobicContact CD1-CG2 4.01Å; Y87-T89 HydrophobicContact CE1-CG2 3.27Å; Y87-T89 HydrophobicContact CE2-CG2 4.15Å; Y87-T89 WeakPolarHBondContact OH-CG2 3.48Å
88	D	97.1	Very high	92.4	Very high	48 Å²	48	74.7 Å²	74.7	26%	0.257	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	120.6	-177.2	-165.6	-10	0	0	0	110.7	K45 I67 E90	K45-D88 WeakPolarHBondContact CE-OD1 3.41Å; K45-D88 WeakPolarHBondContact CE-OD2 3.45Å; K45-D88 HydrophobicContact CG-CB 4.23Å; K45-D88 WeakPolarHBondContact CG-OD1 3.21Å; K45-D88 IonicContact NZ-OD2 3.63Å; I67-D88 WeakPolarHBondContact CD1-O 3.21Å; D88-E90 VanDerWaalsContact OD1-CB 3.26Å; D88-E90 WeakPolarHBondContact OD1-CB 3.43Å; D88-E90 PolarHBondContact OD1-N 2.66Å
89	T	95.4	Very high	91.6	Very high	3 Å²	3	69.5 Å²	69.5	2%	0.018	39%	0.389	C	S	.	.			trans	-102.6	15.1	-179.6	62.6	0	0	0	0	112.9	L41 G43 S44 Y46 Y87 G91 V92	L41-T89 PolarHBondContact O-OG1 2.71Å; G43-T89 PolarHBondContact N-O 3Å; G43-T89 PolarHBondContact N-OG1 3.27Å; S44-T89 PolarHBondContact N-OG1 3Å; S44-T89 PolarHBondContact O-N 2.83Å; S44-T89 PolarHBondContact O-OG1 3.36Å; Y46-T89 HydrophobicContact CD2-CG2 4.35Å; Y46-T89 HydrophobicContact CE2-CG2 4.07Å; Y87-T89 HydrophobicContact CD1-CG2 4.01Å; Y87-T89 HydrophobicContact CE1-CG2 3.27Å; Y87-T89 HydrophobicContact CE2-CG2 4.15Å; Y87-T89 WeakPolarHBondContact OH-CG2 3.48Å; T89-G91 PolarHBondContact O-N 3.26Å; T89-V92 WeakPolarHBondContact O-CB 3.18Å; T89-V92 PolarHBondContact O-N 2.86Å; T89-V92 VanDerWaalsContact O-N 3.14Å
90	E	94.8	Very high	90.8	Very high	131 Å²	131	67.7 Å²	67.7	61%	0.612	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	129.2	169.4	-165.8	163.2	176.3	0	0	110.2	K45 D88 V92	K45-E90 IonicContact NZ-OE2 2.95Å; K45-E90 PolarHBondContact NZ-OE2 2.91Å; D88-E90 VanDerWaalsContact OD1-CB 3.26Å; D88-E90 WeakPolarHBondContact OD1-CB 3.43Å; D88-E90 PolarHBondContact OD1-N 2.66Å; E90-V92 VanDerWaalsContact C-N 3.29Å; E90-V92 PolarHBondContact O-N 2.94Å
91	G	90.1	Very high	89.9	Confident	79 Å²	79	73.1 Å²	73.1	81%	0.814	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	-6.4	-176.1	0	0	0	0	0	116.3	T89	T89-G91 PolarHBondContact O-N 3.26Å
92	V	91.1	Very high	89.3	Confident	53 Å²	53	79.2 Å²	79.2	32%	0.321	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-72.9	126.1	175.7	179.3	0	0	0	0	110.1	T42 I67 T89 E90	T42-V92 WeakPolarHBondContact CB-O 3.36Å; T42-V92 HydrophobicContact CG2-CB 4.44Å; T42-V92 HydrophobicContact CG2-CG1 4.36Å; T42-V92 WeakPolarHBondContact CG2-O 3.5Å; I67-V92 HydrophobicContact CD1-CG2 3.53Å; T89-V92 WeakPolarHBondContact O-CB 3.18Å; T89-V92 PolarHBondContact O-N 2.86Å; T89-V92 VanDerWaalsContact O-N 3.14Å; E90-V92 VanDerWaalsContact C-N 3.29Å; E90-V92 PolarHBondContact O-N 2.94Å
93	P	88.3	Confident	88.8	Confident	110 Å²	110	81.9 Å²	81.9	71%	0.714	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-69.4	144	178.5	28	-33.9	0	0	0	111.4
94	H	85.8	Confident	88.4	Confident	147 Å²	147	88.2 Å²	88.2	68%	0.681	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-77.1	146.8	175.8	66	-87.8	0	0	0	110.9	T42	T42-H94 HydrophobicContact CG2-CB 4.05Å
95	T	84.6	Confident	88.2	Confident	62 Å²	62	90 Å²	90	38%	0.38	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-79.7	147.2	170.3	49.1	0	0	0	0	110.4	Q101	T95-Q101 HydrophobicContact CG2-CB 4.15Å; T95-Q101 HydrophobicContact CG2-CG 3.88Å
96	K	83.9	Confident	88.1	Confident	168 Å²	168	92 Å²	92	73%	0.73	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-63	147.9	176.2	-71.2	-178.5	-178.8	176.1	0	110.2	G98 D99	K96-G98 PolarHBondContact O-N 2.82Å; K96-D99 HydrophobicContact CB-CB 4.37Å; K96-D99 WeakPolarHBondContact O-CB 3.38Å; K96-D99 PolarHBondContact O-N 3.43Å
97	S	78.8	Confident	88.1	Confident	134 Å²	134	86.4 Å²	86.4	94%	0.937	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	133.9	176.2	-170.7	0	0	0	0	110.9	D99	S97-D99 PolarHBondContact O-N 2.8Å
98	G	75.9	Confident	88	Confident	40 Å²	40	89.5 Å²	89.5	41%	0.412	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	-8.9	-176	0	0	0	0	0	114.9	K96	K96-G98 PolarHBondContact O-N 2.82Å
99	D	78.4	Confident	87.9	Confident	78 Å²	78	89.4 Å²	89.4	42%	0.417	51%	0.506	S	S	.	.			trans	-97.1	151	172.9	-164.2	12.5	0	0	0	111.1	K96 S97	K96-D99 HydrophobicContact CB-CB 4.37Å; K96-D99 WeakPolarHBondContact O-CB 3.38Å; K96-D99 PolarHBondContact O-N 3.43Å; S97-D99 PolarHBondContact O-N 2.8Å
100	R	76.8	Confident	87.7	Confident	96 Å²	96	95.9 Å²	95.9	36%	0.362	53%	0.529	S	S	.	.			trans	-139.8	119.2	178.6	-69.1	-66.4	-178.4	-90.8	-5.7	108.7	D28 F32	D28-R100 IonicContact OD2-NE 3.45Å; D28-R100 IonicContact OD2-NH2 3.87Å; D28-R100 PolarHBondContact OD2-NH2 2.83Å; F32-R100 HydrophobicContact CD1-CB 4.41Å; F32-R100 HydrophobicContact CD1-CG 4.08Å; F32-R100 HydrophobicContact CD2-CG 4.12Å; F32-R100 HydrophobicContact CE1-CG 4.21Å; F32-R100 HydrophobicContact CE2-CG 4.27Å; F32-R100 HydrophobicContact CG-CG 4.04Å; F32-R100 HydrophobicContact CZ-CG 4.3Å
101	Q	80.1	Confident	87.2	Confident	132 Å²	132	97 Å²	97	62%	0.617	55%	0.552	S	S	*	*			trans	-98.5	131.5	171.2	-67.2	-174.6	-15.9	0	0	109	T95 I103	T95-Q101 HydrophobicContact CG2-CB 4.15Å; T95-Q101 HydrophobicContact CG2-CG 3.88Å; Q101-I103 PolarHBondContact O-N 2.7Å
102	P	84.1	Confident	87.1	Confident	128 Å²	128	97.9 Å²	97.9	83%	0.831	54%	0.539	S	S	*	.			trans	-63.3	129	172.2	26.9	-32.2	0	0	0	109
103	I	87.8	Confident	86.9	Confident	84 Å²	84	100.3 Å²	100.3	43%	0.431	55%	0.55	S	S	.	*			trans	-99.5	115.1	174.6	-62	-179.6	0	0	0	106.9	L40 I64 Q101	L40-I103 HydrophobicContact CD1-CD1 3.87Å; I64-I103 HydrophobicContact CG2-CG2 3.72Å; Q101-I103 PolarHBondContact O-N 2.7Å
104	Q	91	Very high	86.8	Confident	140 Å²	140	99.7 Å²	99.7	65%	0.654	54%	0.541	S	S	*	.			trans	-68.5	136.4	173.8	-177.6	174.9	-23.5	0	0	109.8	G65	G65-Q104 PolarHBondContact N-O 2.92Å
105	V	94.3	Very high	86.9	Confident	81 Å²	81	96.9 Å²	96.9	49%	0.491	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	129.6	172.9	-179.3	0	0	0	0	108.2	M62 N63 I64	M62-V105 HydrophobicContact CE-CG1 3.31Å; N63-V105 VanDerWaalsContact O-CA 3.32Å; N63-V105 WeakPolarHBondContact O-CA 3.44Å; I64-V105 HydrophobicContact CG1-CG1 4.37Å; I64-V105 HydrophobicContact CG1-CG2 4.43Å; I64-V105 HydrophobicContact CG2-CG2 4.38Å
106	S	96.6	Very high	87	Confident	51 Å²	51	99.1 Å²	99.1	36%	0.357	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	144.9	172.5	63.7	0	0	0	0	111	M62 N63	M62-S106 CarbonylContact C-O 3.59Å; M62-S106 WeakPolarHBondContact CA-O 3.39Å; M62-S106 WeakPolarHBondContact CG-O 3.33Å; N63-S106 WeakPolarHBondContact CB-OG 3.19Å; N63-S106 PolarHBondContact N-O 3.11Å; N63-S106 PolarHBondContact O-N 3.16Å
107	I	97.1	Very high	87.2	Confident	43 Å²	43	94.5 Å²	94.5	22%	0.221	53%	0.53	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	131.3	176.4	-57.8	167.5	0	0	0	106.8	I10 V12 V50 A59 M62 L71 V109	I10-I107 HydrophobicContact CG2-CD1 3.88Å; V12-I107 HydrophobicContact CG2-CD1 3.91Å; V50-I107 HydrophobicContact CG1-CD1 4.28Å; A59-I107 HydrophobicContact CB-CG2 4.27Å; M62-I107 HydrophobicContact CB-CG1 4.47Å; M62-I107 HydrophobicContact CE-CD1 4.03Å; M62-I107 HydrophobicContact CE-CG1 3.93Å; M62-I107 HydrophobicContact CG-CG1 3.9Å; M62-I107 HydrophobicContact SD-CD1 4.35Å; M62-I107 HydrophobicContact SD-CG1 4.03Å; L71-I107 HydrophobicContact CD1-CG2 4.17Å; I107-V109 HydrophobicContact CG2-CG2 3.89Å
108	E	96.6	Very high	87.8	Confident	72 Å²	72	91.7 Å²	91.7	34%	0.336	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	118.3	172.2	-174.8	-175.6	-176.8	0	0	108.9	A59 T60 N61 R110	A59-E108 VanDerWaalsContact CA-O 3.31Å; A59-E108 WeakPolarHBondContact CA-O 3.26Å; T60-E108 PolarHBondContact N-O 3.14Å; T60-E108 WeakPolarHBondContact OG1-CB 3.37Å; T60-E108 WeakPolarHBondContact OG1-CG 2.81Å; T60-E108 PolarHBondContact OG1-OE2 3.38Å; N61-E108 PolarHBondContact ND2-OE2 2.95Å; N61-E108 PolarHBondContact O-N 3.46Å; E108-R110 IonicContact OE1-CZ 3.24Å; E108-R110 VanDerWaalsContact OE1-CZ 3.24Å; E108-R110 IonicContact OE1-NE 3.02Å; E108-R110 PolarHBondContact OE1-NE 2.97Å; E108-R110 IonicContact OE1-NH2 3.27Å; E108-R110 PolarHBondContact OE1-NH2 3.34Å
109	V	94	Very high	88.7	Confident	46 Å²	46	95.7 Å²	95.7	28%	0.279	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	136.2	179	-176.6	0	0	0	0	109.6	I10 V52 L57 E58 I107	I10-V109 HydrophobicContact CD1-CG2 4.31Å; V52-V109 HydrophobicContact CG1-CG1 4.46Å; L57-V109 HydrophobicContact CB-CG1 4.18Å; L57-V109 HydrophobicContact CD1-CG1 4.17Å; L57-V109 HydrophobicContact CD2-CG1 4.46Å; E58-V109 CarbonylContact O-C 3.5Å; E58-V109 VanDerWaalsContact O-CA 3.26Å; E58-V109 WeakPolarHBondContact O-CA 3.36Å; I107-V109 HydrophobicContact CG2-CG2 3.89Å
110	R	92.4	Very high	89.6	Confident	138 Å²	138	97.2 Å²	97.2	52%	0.521	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	150.1	180	-57.5	177.8	-176.3	-176.9	-0.5	109.9	L57 E58 E108	L57-R110 WeakPolarHBondContact CA-O 3.46Å; E58-R110 PolarHBondContact N-O 3Å; E58-R110 PolarHBondContact O-N 3.32Å; E108-R110 IonicContact OE1-CZ 3.24Å; E108-R110 VanDerWaalsContact OE1-CZ 3.24Å; E108-R110 IonicContact OE1-NE 3.02Å; E108-R110 PolarHBondContact OE1-NE 2.97Å; E108-R110 IonicContact OE1-NH2 3.27Å; E108-R110 PolarHBondContact OE1-NH2 3.34Å
111	S	84.7	Confident	90.8	Very high	155 Å²	155	97.3 Å²	97.3	100%	1.084	53%	0.529	S	S	*	.			trans	-118.6	0	178.8	63	0	0	0	0	111.2

Retrieved 111 of 111 residues in 53.4 ms (Link to these results)

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