A0A024RAF2_HUMAN Loading...

Acyl-CoA-binding protein

AlphaFold DB , UniProt , Accession A0A024RAF2, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 104 aa.

						>A0A024RAF2_HUMAN|A0A024RAF2
MWGDLWLLPPASANPGTGTEAEFEKAAEEVRHLKTKPSDEEMLFIYGHYKQATVGDINTERPGMLDFTGKAKWDAWNELKGTSKEDAMKAYINKVEELKKKYGI
					

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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	52	Low	54.5	Low	203 Å²	203	84.8 Å²	84.8	100%	1	48%	0.478	S	S	*	.				0	-2.8	0	-99.7	176.3	175.1	0	0	115.1
2	W	57.9	Low	54.1	Low	32 Å²	32	87.1 Å²	87.1	12%	0.121	50%	0.503	C	S	.	.			trans	-104.7	31.7	167.2	-65.1	79	0	0	0	111.5	D4 L5 D39 M42 L43 K72	W2-D4 PolarHBondContact O-N 2.89Å; W2-L5 HydrophobicContact CE3-CD2 4.31Å; W2-L5 WeakPolarHBondContact O-CB 3.27Å; W2-L5 PolarHBondContact O-N 2.91Å; W2-D39 HydrophobicContact CZ2-CB 4.16Å; W2-D39 PolarHBondContact NE1-OD1 3.32Å; W2-M42 HydrophobicContact CD2-CB 4.23Å; W2-M42 HydrophobicContact CD2-CE 4.47Å; W2-M42 HydrophobicContact CE3-CB 3.94Å; W2-M42 HydrophobicContact CE3-CE 3.91Å; W2-M42 HydrophobicContact CH2-CB 3.43Å; W2-M42 VanDerWaalsContact CH2-CB 3.43Å; W2-M42 HydrophobicContact CZ2-CB 3.75Å; W2-M42 HydrophobicContact CZ3-CB 3.55Å; W2-M42 HydrophobicContact CZ3-CE 4.34Å; W2-L43 HydrophobicContact CH2-CB 4.34Å; W2-L43 HydrophobicContact CH2-CD2 3.59Å; W2-L43 HydrophobicContact CH2-CG 3.64Å; W2-L43 HydrophobicContact CZ2-CD2 4.11Å; W2-L43 HydrophobicContact CZ2-CG 3.95Å; W2-K72 HydrophobicContact CZ3-CG 4.39Å
3	G	53.9	Low	53.3	Low	63 Å²	63	87.3 Å²	87.3	65%	0.649	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.5	135.9	-169.2	0	0	0	0	0	112.4	L5	G3-L5 PolarHBondContact O-N 3.45Å
4	D	53.2	Low	52.8	Low	141 Å²	141	90.1 Å²	90.1	75%	0.754	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	37.1	8.5	-177.9	-59.8	-15.6	0	0	0	118.3	W2 W6 L7	W2-D4 PolarHBondContact O-N 2.89Å; D4-W6 PolarHBondContact O-N 3.45Å; D4-L7 WeakPolarHBondContact O-CB 2.5Å; D4-L7 WeakPolarHBondContact O-CG 2.94Å; D4-L7 PolarHBondContact O-N 2.71Å
5	L	51.5	Low	52.6	Low	59 Å²	59	90.8 Å²	90.8	31%	0.309	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-3.7	-172.2	-139.7	105.8	0	0	0	113.3	W2 G3 L7 Y46 K72	W2-L5 HydrophobicContact CE3-CD2 4.31Å; W2-L5 WeakPolarHBondContact O-CB 3.27Å; W2-L5 PolarHBondContact O-N 2.91Å; G3-L5 PolarHBondContact O-N 3.45Å; L5-L7 PolarHBondContact O-N 3.35Å; L5-Y46 HydrophobicContact CD2-CD2 4.16Å; L5-Y46 HydrophobicContact CD2-CE2 4.47Å; L5-K72 HydrophobicContact CD2-CD 4.22Å; L5-K72 VanDerWaalsContact CD2-CE 3.47Å
6	W	57.3	Low	52.5	Low	100 Å²	100	88.4 Å²	88.4	38%	0.379	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-15.6	167.7	-146.7	86.4	0	0	0	111.9	D4 L8 R31	D4-W6 PolarHBondContact O-N 3.45Å; W6-L8 PolarHBondContact O-N 3.04Å; W6-R31 VanDerWaalsContact CD2-CA 3.49Å; W6-R31 HydrophobicContact CD2-CB 3.84Å; W6-R31 HydrophobicContact CD2-CG 3.75Å; W6-R31 VanDerWaalsContact CE2-C 3.44Å; W6-R31 VanDerWaalsContact CE3-CA 3.47Å; W6-R31 HydrophobicContact CE3-CB 3.29Å; W6-R31 HydrophobicContact CE3-CG 3.28Å; W6-R31 HydrophobicContact CH2-CB 3.63Å; W6-R31 WeakPolarHBondContact CH2-O 3.37Å; W6-R31 VanDerWaalsContact CZ2-CA 3.45Å; W6-R31 HydrophobicContact CZ2-CB 4.24Å; W6-R31 WeakPolarHBondContact CZ2-O 3.49Å; W6-R31 VanDerWaalsContact CZ3-C 3.5Å; W6-R31 HydrophobicContact CZ3-CB 3.1Å; W6-R31 HydrophobicContact CZ3-CG 3.68Å; W6-R31 PolarHBondContact NE1-O 2.57Å; W6-R31 WeakPolarHBondContact O-CD 3.14Å; W6-R31 VanDerWaalsContact O-CG 3.3Å; W6-R31 WeakPolarHBondContact O-CG 3.46Å
7	L	53.8	Low	52.9	Low	109 Å²	109	88.5 Å²	88.5	57%	0.571	54%	0.541	S	S	*	.			trans	-79.1	56.6	167.4	-58	178.3	0	0	0	111.5	D4 L5 P9	D4-L7 WeakPolarHBondContact O-CB 2.5Å; D4-L7 WeakPolarHBondContact O-CG 2.94Å; D4-L7 PolarHBondContact O-N 2.71Å; L5-L7 PolarHBondContact O-N 3.35Å; L7-P9 WeakPolarHBondContact O-CD 3.47Å
8	L	59.3	Low	54	Low	23 Å²	23	86.7 Å²	86.7	12%	0.12	54%	0.543	C	S	.	.	P	Polyproline II helix	trans	-61.5	120.8	159.3	-64.9	175.7	0	0	0	105.9	W6 R31 I45 Y49	W6-L8 PolarHBondContact O-N 3.04Å; L8-R31 PolarHBondContact O-NH1 3.45Å; L8-I45 HydrophobicContact CD1-CG2 4.12Å; L8-Y49 HydrophobicContact CB-CD1 4.43Å; L8-Y49 HydrophobicContact CB-CD2 4.11Å; L8-Y49 HydrophobicContact CB-CE1 4.11Å; L8-Y49 HydrophobicContact CB-CE2 3.74Å; L8-Y49 HydrophobicContact CB-CG 4.44Å; L8-Y49 HydrophobicContact CD1-CD1 4.12Å; L8-Y49 HydrophobicContact CD1-CD2 3.73Å; L8-Y49 HydrophobicContact CD1-CE2 4.25Å; L8-Y49 HydrophobicContact CD1-CG 3.66Å; L8-Y49 HydrophobicContact CD2-CD1 3.65Å; L8-Y49 HydrophobicContact CD2-CE1 3.81Å; L8-Y49 HydrophobicContact CD2-CG 4.1Å; L8-Y49 HydrophobicContact CG-CD1 4.27Å; L8-Y49 HydrophobicContact CG-CD2 4.35Å; L8-Y49 HydrophobicContact CG-CE1 4.37Å; L8-Y49 HydrophobicContact CG-CE2 4.44Å; L8-Y49 HydrophobicContact CG-CG 4.27Å
9	P	54.4	Low	55.5	Low	81 Å²	81	83.4 Å²	83.4	53%	0.526	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-58.2	147.6	179.8	20.2	-27.7	0	0	0	108.9	L7 A11 Y49	L7-P9 WeakPolarHBondContact O-CD 3.47Å; P9-A11 PolarHBondContact O-N 2.96Å; P9-Y49 WeakPolarHBondContact CD-OH 3.4Å; P9-Y49 WeakPolarHBondContact CG-OH 3.4Å; P9-Y49 PolarHBondContact O-OH 2.9Å
10	P	52	Low	57	Low	104 Å²	104	82 Å²	82	68%	0.675	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-53.4	137.7	169.4	23.9	-32.2	0	0	0	108	S12	P10-S12 PolarHBondContact O-N 2.55Å
11	A	54.2	Low	58.5	Low	18 Å²	18	80.4 Å²	80.4	15%	0.149	50%	0.504	C	S	.	.	P	Polyproline II helix	trans	-52.7	141.9	173	0	0	0	0	0	108.1	P9 A13 F23 E24 T53	P9-A11 PolarHBondContact O-N 2.96Å; A11-A13 PolarHBondContact O-N 2.86Å; A11-F23 HydrophobicContact CB-CD1 4Å; A11-F23 HydrophobicContact CB-CE1 3.87Å; A11-E24 HydrophobicContact CB-CG 3.81Å; A11-T53 HydrophobicContact CB-CG2 4.48Å
12	S	49.7	Very low	60.3	Low	112 Å²	112	76.1 Å²	76.1	78%	0.783	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-52.4	118.4	-177.8	164.5	0	0	0	0	110.3	P10 N14	P10-S12 PolarHBondContact O-N 2.55Å; S12-N14 PolarHBondContact O-N 3.48Å
13	A	43.5	Very low	61.8	Low	90 Å²	90	74.6 Å²	74.6	74%	0.744	48%	0.476	S	S	*	.	S	Bend	trans	-57.4	90.6	-179.2	0	0	0	0	0	112.2	A11	A11-A13 PolarHBondContact O-N 2.86Å
14	N	46.8	Very low	63.5	Low	127 Å²	127	74.2 Å²	74.2	68%	0.679	46%	0.457	S	S	*	.			trans	-150.1	87.5	160.4	-157.6	10.4	0	0	0	107.3	S12 G16	S12-N14 PolarHBondContact O-N 3.48Å; N14-G16 VanDerWaalsContact C-N 3.3Å; N14-G16 PolarHBondContact O-N 2.8Å
15	P	49.3	Very low	65.3	Low	100 Å²	100	73.5 Å²	73.5	65%	0.649	45%	0.448	S	S	*	.			trans	-73.2	87.8	-169.9	30.2	-33.7	0	0	0	109.4
16	G	51.3	Low	67.2	Low	52 Å²	52	70.8 Å²	70.8	54%	0.536	43%	0.434	S	S	.	.			trans	-105.4	41.5	177.1	0	0	0	0	0	111.1	N14 E20	N14-G16 VanDerWaalsContact C-N 3.3Å; N14-G16 PolarHBondContact O-N 2.8Å; G16-E20 WeakPolarHBondContact CA-OE2 3.3Å; G16-E20 PolarHBondContact N-OE2 3.26Å
17	T	59.6	Low	68.8	Low	90 Å²	90	66.2 Å²	66.2	55%	0.552	42%	0.417	S	S	*	.	S	Bend	trans	163.4	161.8	158.2	41.5	0	0	0	0	110.2	T19 E20	T17-T19 PolarHBondContact O-N 3.21Å; T17-E20 PolarHBondContact O-N 2.94Å
18	G	72.1	Confident	70.4	Confident	56 Å²	56	65.3 Å²	65.3	58%	0.577	41%	0.41	S	S	*	.	H	α-helix	trans	-59.1	-31.2	178.5	0	0	0	0	0	114.4	E22	G18-E22 WeakPolarHBondContact O-CG 3.24Å; G18-E22 PolarHBondContact O-N 3.21Å
19	T	82.8	Confident	71.9	Confident	24 Å²	24	65.9 Å²	65.9	15%	0.147	41%	0.412	C	S	.	.	H	α-helix	trans	-69.8	-30.9	-178.7	-54.3	0	0	0	0	113.2	T17 F23 M88 K89 I92	T17-T19 PolarHBondContact O-N 3.21Å; T19-F23 VanDerWaalsContact O-CB 3.3Å; T19-F23 WeakPolarHBondContact O-CB 3.46Å; T19-F23 PolarHBondContact O-N 2.69Å; T19-M88 HydrophobicContact CG2-CB 3.87Å; T19-M88 HydrophobicContact CG2-SD 4.4Å; T19-K89 HydrophobicContact CG2-CG 4.09Å; T19-I92 HydrophobicContact CG2-CD1 4.17Å
20	E	85.9	Confident	73.5	Confident	55 Å²	55	62.5 Å²	62.5	26%	0.257	39%	0.39	S	S	.	.	H	α-helix	trans	-68.5	-42.8	177.7	-71.9	178.1	164.6	0	0	111.8	G16 T17 E22 F23 E24 M88	G16-E20 WeakPolarHBondContact CA-OE2 3.3Å; G16-E20 PolarHBondContact N-OE2 3.26Å; T17-E20 PolarHBondContact O-N 2.94Å; E20-E22 PolarHBondContact O-N 2.84Å; E20-F23 WeakPolarHBondContact O-CB 3.45Å; E20-F23 PolarHBondContact O-N 3.46Å; E20-E24 WeakPolarHBondContact O-CG 3.37Å; E20-E24 PolarHBondContact O-N 2.95Å; E20-M88 HydrophobicContact CG-CE 3.94Å; E20-M88 HydrophobicContact CG-SD 3.87Å
21	A	87.8	Confident	75.1	Confident	50 Å²	50	59.8 Å²	59.8	41%	0.413	37%	0.366	S	S	.	.	H	α-helix	trans	-65.2	-39	176.9	0	0	0	0	0	112.2	F23 K25	A21-F23 VanDerWaalsContact C-N 3.34Å; A21-K25 WeakPolarHBondContact O-CB 3.37Å; A21-K25 PolarHBondContact O-N 2.95Å
22	E	90	Very high	76.7	Confident	112 Å²	112	63.4 Å²	63.4	52%	0.523	38%	0.38	S	S	.	.	H	α-helix	trans	-64.8	-39.5	173.3	-70.2	174.9	166.1	0	0	111.7	G18 E20 K25 A26 I92	G18-E22 WeakPolarHBondContact O-CG 3.24Å; G18-E22 PolarHBondContact O-N 3.21Å; E20-E22 PolarHBondContact O-N 2.84Å; E22-K25 PolarHBondContact O-N 3.35Å; E22-A26 VanDerWaalsContact O-CB 3.31Å; E22-A26 WeakPolarHBondContact O-CB 3.36Å; E22-A26 PolarHBondContact O-N 3.37Å; E22-I92 HydrophobicContact CB-CD1 3.72Å; E22-I92 HydrophobicContact CB-CG1 4.44Å
23	F	90.4	Very high	78.6	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-64.8	-45.3	176.2	174.3	-102	0	0	0	112.1	A11 T19 E20 A21 K25 A26 A27 Y49 A52 T53 M88 Y91 I92	A11-F23 HydrophobicContact CB-CD1 4Å; A11-F23 HydrophobicContact CB-CE1 3.87Å; T19-F23 VanDerWaalsContact O-CB 3.3Å; T19-F23 WeakPolarHBondContact O-CB 3.46Å; T19-F23 PolarHBondContact O-N 2.69Å; E20-F23 WeakPolarHBondContact O-CB 3.45Å; E20-F23 PolarHBondContact O-N 3.46Å; A21-F23 VanDerWaalsContact C-N 3.34Å; F23-K25 PolarHBondContact O-N 2.87Å; F23-A26 PolarHBondContact O-N 3.44Å; F23-A27 WeakPolarHBondContact O-CB 3.45Å; F23-A27 PolarHBondContact O-N 3.02Å; F23-Y49 HydrophobicContact CE1-CD2 4.16Å; F23-Y49 HydrophobicContact CE1-CE2 4.19Å; F23-Y49 HydrophobicContact CE2-CD2 4.3Å; F23-Y49 AromaticContact CZ-CD2 3.46Å; F23-Y49 HydrophobicContact CZ-CD2 3.46Å; F23-Y49 VanDerWaalsContact CZ-CD2 3.46Å; F23-Y49 AromaticContact CZ-CE2 3.95Å; F23-Y49 HydrophobicContact CZ-CE2 3.95Å; F23-Y49 HydrophobicContact CZ-CG 4.25Å; F23-A52 HydrophobicContact CE1-CB 4.31Å; F23-A52 HydrophobicContact CE2-CB 3.84Å; F23-A52 HydrophobicContact CZ-CB 3.68Å; F23-T53 HydrophobicContact CE1-CG2 4.05Å; F23-T53 HydrophobicContact CZ-CG2 4.26Å; F23-M88 HydrophobicContact CB-CB 4.15Å; F23-M88 HydrophobicContact CB-CG 4.03Å; F23-M88 HydrophobicContact CB-SD 4.36Å; F23-M88 HydrophobicContact CD1-CG 4.25Å; F23-M88 HydrophobicContact CD2-CB 3.97Å; F23-M88 HydrophobicContact CD2-CG 3.8Å; F23-M88 HydrophobicContact CE2-CG 4.28Å; F23-M88 HydrophobicContact CG-CB 4.19Å; F23-M88 HydrophobicContact CG-CG 3.76Å; F23-M88 HydrophobicContact CG-SD 4.48Å; F23-Y91 AromaticContact CD2-CD1 3.51Å; F23-Y91 HydrophobicContact CD2-CD1 3.51Å; F23-Y91 HydrophobicContact CD2-CE1 4.14Å; F23-Y91 AromaticContact CD2-CG 3.9Å; F23-Y91 HydrophobicContact CD2-CG 3.9Å; F23-Y91 AromaticContact CE2-CD1 3.45Å; F23-Y91 HydrophobicContact CE2-CD1 3.45Å; F23-Y91 VanDerWaalsContact CE2-CD1 3.45Å; F23-Y91 HydrophobicContact CE2-CD2 4.01Å; F23-Y91 AromaticContact CE2-CE1 3.92Å; F23-Y91 HydrophobicContact CE2-CE1 3.92Å; F23-Y91 HydrophobicContact CE2-CE2 4.41Å; F23-Y91 AromaticContact CE2-CG 3.49Å; F23-Y91 HydrophobicContact CE2-CG 3.49Å; F23-Y91 VanDerWaalsContact CE2-CG 3.49Å; F23-I92 HydrophobicContact CB-CD1 4.07Å; F23-I92 HydrophobicContact CB-CG1 4.24Å
24	E	89.3	Confident	80.8	Confident	56 Å²	56	61.7 Å²	61.7	26%	0.262	34%	0.342	S	S	.	.	H	α-helix	trans	-59.9	-46	175.3	-76.1	177.3	-170.1	0	0	111.5	A11 E20 A26 A27 E28	A11-E24 HydrophobicContact CB-CG 3.81Å; E20-E24 WeakPolarHBondContact O-CG 3.37Å; E20-E24 PolarHBondContact O-N 2.95Å; E24-A26 PolarHBondContact O-N 3.39Å; E24-A27 PolarHBondContact O-N 3.13Å; E24-E28 PolarHBondContact O-N 2.86Å
25	K	91.1	Very high	82.9	Confident	126 Å²	126	59.2 Å²	59.2	55%	0.548	33%	0.332	S	S	.	.	H	α-helix	trans	-59.9	-47.1	175.1	-179.6	-178.6	170.5	-173	0	111.2	A21 E22 F23 A27 E28 E29	A21-K25 WeakPolarHBondContact O-CB 3.37Å; A21-K25 PolarHBondContact O-N 2.95Å; E22-K25 PolarHBondContact O-N 3.35Å; F23-K25 PolarHBondContact O-N 2.87Å; K25-A27 VanDerWaalsContact C-N 3.3Å; K25-A27 PolarHBondContact O-N 2.64Å; K25-E28 CarbonylContact O-C 3.57Å; K25-E28 PolarHBondContact O-N 3.2Å; K25-E28 VanDerWaalsContact O-N 3.14Å; K25-E29 WeakPolarHBondContact CE-OE1 3.3Å; K25-E29 HydrophobicContact CG-CG 4.34Å; K25-E29 IonicContact NZ-OE1 2.79Å; K25-E29 WeakPolarHBondContact O-CG 3.3Å; K25-E29 PolarHBondContact O-N 3.4Å
26	A	91.4	Very high	84.7	Confident	2 Å²	2	60 Å²	60	2%	0.017	33%	0.325	C	S	.	.	H	α-helix	trans	-61.6	-38.6	177.4	0	0	0	0	0	111.8	E22 F23 E24 E28 E29 V30 Y91 I92 V95	E22-A26 VanDerWaalsContact O-CB 3.31Å; E22-A26 WeakPolarHBondContact O-CB 3.36Å; E22-A26 PolarHBondContact O-N 3.37Å; F23-A26 PolarHBondContact O-N 3.44Å; E24-A26 PolarHBondContact O-N 3.39Å; A26-E28 VanDerWaalsContact C-N 3.27Å; A26-E28 PolarHBondContact O-N 3.14Å; A26-E29 PolarHBondContact O-N 3.41Å; A26-V30 WeakPolarHBondContact O-CB 3.29Å; A26-V30 PolarHBondContact O-N 2.87Å; A26-Y91 HydrophobicContact CB-CD1 4.23Å; A26-Y91 HydrophobicContact CB-CE1 4.08Å; A26-I92 HydrophobicContact CB-CG1 4.07Å; A26-V95 HydrophobicContact CB-CB 4.04Å; A26-V95 HydrophobicContact CB-CG1 4.08Å; A26-V95 HydrophobicContact CB-CG2 4.14Å; A26-V95 WeakPolarHBondContact O-CG1 3.37Å
27	A	89.8	Confident	86.6	Confident	3 Å²	3	57.8 Å²	57.8	3%	0.025	30%	0.301	C	S	.	.	H	α-helix	trans	-66.1	-29.7	176.4	0	0	0	0	0	112.6	F23 E24 K25 V30 R31 Y91	F23-A27 WeakPolarHBondContact O-CB 3.45Å; F23-A27 PolarHBondContact O-N 3.02Å; E24-A27 PolarHBondContact O-N 3.13Å; K25-A27 VanDerWaalsContact C-N 3.3Å; K25-A27 PolarHBondContact O-N 2.64Å; A27-V30 WeakPolarHBondContact O-CG1 3.39Å; A27-R31 VanDerWaalsContact O-CD 3.3Å; A27-R31 WeakPolarHBondContact O-CD 3.37Å; A27-R31 VanDerWaalsContact O-CG 3.29Å; A27-R31 WeakPolarHBondContact O-CG 3.27Å; A27-Y91 WeakPolarHBondContact CA-OH 3.44Å; A27-Y91 HydrophobicContact CB-CE1 4.16Å
28	E	88.7	Confident	88.2	Confident	90 Å²	90	55.8 Å²	55.8	42%	0.421	29%	0.291	S	S	.	.	H	α-helix	trans	-82.3	-27	171.9	-173.7	56.7	-160	0	0	113	E24 K25 A26 R31 H32	E24-E28 PolarHBondContact O-N 2.86Å; K25-E28 CarbonylContact O-C 3.57Å; K25-E28 PolarHBondContact O-N 3.2Å; K25-E28 VanDerWaalsContact O-N 3.14Å; A26-E28 VanDerWaalsContact C-N 3.27Å; A26-E28 PolarHBondContact O-N 3.14Å; E28-R31 VanDerWaalsContact O-CB 3.27Å; E28-R31 WeakPolarHBondContact O-CB 3.45Å; E28-R31 IonicContact OE2-NE 3.73Å; E28-H32 PolarHBondContact O-CD2 3.29Å; E28-H32 PolarHBondContact O-NE2 2.89Å; E28-H32 IonicContact OE1-CD2 2.86Å; E28-H32 IonicContact OE1-CE1 3.82Å; E28-H32 IonicContact OE1-NE2 3.8Å; E28-H32 PolarHBondContact OE1-NE2 3.02Å
29	E	89.5	Confident	89.1	Confident	35 Å²	35	57.3 Å²	57.3	16%	0.164	29%	0.286	C	S	.	.	H	α-helix	trans	-82.9	-37.3	179.1	-74.5	178.7	154.8	0	0	113.1	K25 A26 R31 H32 V95 K99 I104	K25-E29 WeakPolarHBondContact CE-OE1 3.3Å; K25-E29 HydrophobicContact CG-CG 4.34Å; K25-E29 IonicContact NZ-OE1 2.79Å; K25-E29 WeakPolarHBondContact O-CG 3.3Å; K25-E29 PolarHBondContact O-N 3.4Å; A26-E29 PolarHBondContact O-N 3.41Å; E29-R31 CarbonylContact O-C 3.38Å; E29-R31 PolarHBondContact O-N 2.7Å; E29-R31 VanDerWaalsContact O-N 3.13Å; E29-H32 PolarHBondContact O-N 3.25Å; E29-V95 HydrophobicContact CB-CG1 4.43Å; E29-K99 HydrophobicContact CB-CD 4.19Å; E29-K99 VanDerWaalsContact CD-NZ 3.33Å; E29-K99 IonicContact OE1-NZ 3.65Å; E29-K99 PolarHBondContact OE1-NZ 3.04Å; E29-K99 WeakPolarHBondContact OE2-CE 3.37Å; E29-K99 IonicContact OE2-NZ 3.73Å; E29-K99 PolarHBondContact OE2-NZ 2.88Å; E29-I104 HydrophobicContact CB-CD1 3.72Å; E29-I104 HydrophobicContact CG-CD1 3.91Å; E29-I104 WeakPolarHBondContact O-CD1 3.28Å
30	V	88.3	Confident	89.7	Confident	11 Å²	11	63.8 Å²	63.8	7%	0.067	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-23	175	77.9	0	0	0	0	112	A26 A27 L33 I45 Y91 V95 L98	A26-V30 WeakPolarHBondContact O-CB 3.29Å; A26-V30 PolarHBondContact O-N 2.87Å; A27-V30 WeakPolarHBondContact O-CG1 3.39Å; V30-L33 HydrophobicContact CG2-CD1 4.01Å; V30-L33 WeakPolarHBondContact O-CG 3.44Å; V30-I45 HydrophobicContact CG2-CD1 3.6Å; V30-I45 HydrophobicContact CG2-CG1 4.46Å; V30-Y91 WeakPolarHBondContact CG1-OH 3.27Å; V30-V95 HydrophobicContact CB-CB 4.43Å; V30-V95 HydrophobicContact CB-CG1 3.9Å; V30-V95 HydrophobicContact CB-CG2 3.7Å; V30-V95 HydrophobicContact CG1-CG2 4.48Å; V30-V95 HydrophobicContact CG2-CG1 4.44Å; V30-V95 HydrophobicContact CG2-CG2 3.85Å; V30-L98 HydrophobicContact CG2-CD1 4.35Å
31	R	85.5	Confident	90.1	Very high	46 Å²	46	62 Å²	62	17%	0.174	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-84.1	163.3	-71.8	175.6	68.5	148.1	-7.9	105.4	W6 L8 A27 E28 E29 L33	W6-R31 VanDerWaalsContact CD2-CA 3.49Å; W6-R31 HydrophobicContact CD2-CB 3.84Å; W6-R31 HydrophobicContact CD2-CG 3.75Å; W6-R31 VanDerWaalsContact CE2-C 3.44Å; W6-R31 VanDerWaalsContact CE3-CA 3.47Å; W6-R31 HydrophobicContact CE3-CB 3.29Å; W6-R31 HydrophobicContact CE3-CG 3.28Å; W6-R31 HydrophobicContact CH2-CB 3.63Å; W6-R31 WeakPolarHBondContact CH2-O 3.37Å; W6-R31 VanDerWaalsContact CZ2-CA 3.45Å; W6-R31 HydrophobicContact CZ2-CB 4.24Å; W6-R31 WeakPolarHBondContact CZ2-O 3.49Å; W6-R31 VanDerWaalsContact CZ3-C 3.5Å; W6-R31 HydrophobicContact CZ3-CB 3.1Å; W6-R31 HydrophobicContact CZ3-CG 3.68Å; W6-R31 PolarHBondContact NE1-O 2.57Å; W6-R31 WeakPolarHBondContact O-CD 3.14Å; W6-R31 VanDerWaalsContact O-CG 3.3Å; W6-R31 WeakPolarHBondContact O-CG 3.46Å; L8-R31 PolarHBondContact O-NH1 3.45Å; A27-R31 VanDerWaalsContact O-CD 3.3Å; A27-R31 WeakPolarHBondContact O-CD 3.37Å; A27-R31 VanDerWaalsContact O-CG 3.29Å; A27-R31 WeakPolarHBondContact O-CG 3.27Å; E28-R31 VanDerWaalsContact O-CB 3.27Å; E28-R31 WeakPolarHBondContact O-CB 3.45Å; E28-R31 IonicContact OE2-NE 3.73Å; E29-R31 CarbonylContact O-C 3.38Å; E29-R31 PolarHBondContact O-N 2.7Å; E29-R31 VanDerWaalsContact O-N 3.13Å; R31-L33 PolarHBondContact O-N 2.69Å
32	H	88.6	Confident	90.3	Very high	95 Å²	95	60.6 Å²	60.6	44%	0.44	29%	0.291	S	S	.	.	S	Bend	trans	-55.4	10.8	-168.6	-50	-68.3	0	0	0	121.5	E28 E29 K34 I104	E28-H32 PolarHBondContact O-CD2 3.29Å; E28-H32 PolarHBondContact O-NE2 2.89Å; E28-H32 IonicContact OE1-CD2 2.86Å; E28-H32 IonicContact OE1-CE1 3.82Å; E28-H32 IonicContact OE1-NE2 3.8Å; E28-H32 PolarHBondContact OE1-NE2 3.02Å; E29-H32 PolarHBondContact O-N 3.25Å; H32-K34 PolarHBondContact O-N 3.42Å; H32-I104 HydrophobicContact CB-CD1 3.94Å; H32-I104 HydrophobicContact CB-CG1 3.62Å
33	L	89	Confident	90.5	Very high	14 Å²	14	57.1 Å²	57.1	7%	0.073	28%	0.276	C	S	.	.			trans	-49.3	131.2	167.8	-61.3	179.1	0	0	0	113.2	V30 R31 T35 P37 L98 K99 G103	V30-L33 HydrophobicContact CG2-CD1 4.01Å; V30-L33 WeakPolarHBondContact O-CG 3.44Å; R31-L33 PolarHBondContact O-N 2.69Å; L33-T35 VanDerWaalsContact C-N 3.27Å; L33-T35 PolarHBondContact O-N 3.35Å; L33-P37 HydrophobicContact CD1-CG 3.78Å; L33-L98 HydrophobicContact CD1-CB 3.9Å; L33-L98 HydrophobicContact CD2-CB 4.5Å; L33-K99 HydrophobicContact CD2-CB 4.46Å; L33-K99 HydrophobicContact CD2-CG 4Å; L33-G103 CarbonylContact C-O 3.57Å; L33-G103 VanDerWaalsContact CA-O 3.27Å; L33-G103 WeakPolarHBondContact CA-O 3.31Å
34	K	90.7	Very high	90.7	Very high	151 Å²	151	60.8 Å²	60.8	66%	0.657	29%	0.292	S	S	*	.	S	Bend	trans	-68.6	-24.2	-178.3	-69.3	174.6	170.1	132.9	0	114	H32 G103 I104	H32-K34 PolarHBondContact O-N 3.42Å; K34-G103 PolarHBondContact N-O 2.67Å; K34-I104 WeakPolarHBondContact CE-OXT 3.32Å; K34-I104 PolarHBondContact NZ-O 3.48Å
35	T	89.7	Confident	91	Very high	76 Å²	76	58.5 Å²	58.5	47%	0.466	28%	0.281	S	S	.	.	S	Bend	trans	-129.5	139.4	-179.3	-54.7	0	0	0	0	109.4	L33 P37 Y102	L33-T35 VanDerWaalsContact C-N 3.27Å; L33-T35 PolarHBondContact O-N 3.35Å; T35-P37 WeakPolarHBondContact O-CD 3.47Å; T35-Y102 HydrophobicContact CG2-CD1 4.01Å; T35-Y102 HydrophobicContact CG2-CE1 4.37Å
36	K	87.3	Confident	91.1	Very high	116 Å²	116	54.6 Å²	54.6	50%	0.504	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-62.5	127	174	-170.3	-157.4	166.3	-148.9	0	109.8	D39	K36-D39 IonicContact NZ-OD1 2.9Å; K36-D39 PolarHBondContact NZ-OD1 3.22Å
37	P	91.1	Very high	91.3	Very high	5 Å²	5	54.5 Å²	54.5	3%	0.032	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-60.4	165.1	171.5	-24.3	35	0	0	0	113.7	L33 T35 E41 M42 L98 Y102	L33-P37 HydrophobicContact CD1-CG 3.78Å; T35-P37 WeakPolarHBondContact O-CD 3.47Å; P37-E41 HydrophobicContact CB-CB 3.77Å; P37-E41 WeakPolarHBondContact CB-OE2 3.35Å; P37-M42 HydrophobicContact CB-CG 4.14Å; P37-M42 HydrophobicContact CB-SD 4.09Å; P37-M42 HydrophobicContact CG-SD 4.03Å; P37-L98 HydrophobicContact CB-CD2 4.2Å; P37-L98 HydrophobicContact CG-CD1 4.4Å; P37-L98 HydrophobicContact CG-CD2 4.39Å; P37-Y102 HydrophobicContact CB-CD2 4.48Å; P37-Y102 HydrophobicContact CB-CE2 3.91Å; P37-Y102 HydrophobicContact CG-CD2 4.26Å; P37-Y102 HydrophobicContact CG-CE2 4.18Å
38	S	93.1	Very high	91.6	Very high	48 Å²	48	55.3 Å²	55.3	34%	0.336	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-63.7	159.1	173.4	79.5	0	0	0	0	110.9	E40 E41 M42	S38-E40 PolarHBondContact O-N 3.22Å; S38-E41 PolarHBondContact N-OE2 2.9Å; S38-E41 PolarHBondContact O-N 3.15Å; S38-E41 VanDerWaalsContact O-N 3.15Å; S38-E41 WeakPolarHBondContact OG-CG 2.96Å; S38-E41 PolarHBondContact OG-N 2.98Å; S38-E41 PolarHBondContact OG-OE2 3.14Å; S38-M42 VanDerWaalsContact O-CG 3.27Å; S38-M42 WeakPolarHBondContact O-CG 3.44Å; S38-M42 PolarHBondContact O-N 3.47Å
39	D	91.4	Very high	91.8	Very high	89 Å²	89	51.6 Å²	51.6	48%	0.476	25%	0.248	S	C	.	.	H	α-helix	trans	-62.3	-33	179.8	-72.4	-13.9	0	0	0	112	W2 K36 M42 L43	W2-D39 HydrophobicContact CZ2-CB 4.16Å; W2-D39 PolarHBondContact NE1-OD1 3.32Å; K36-D39 IonicContact NZ-OD1 2.9Å; K36-D39 PolarHBondContact NZ-OD1 3.22Å; D39-M42 PolarHBondContact O-N 2.92Å; D39-L43 WeakPolarHBondContact O-CB 3.28Å; D39-L43 VanDerWaalsContact O-CG 3.28Å; D39-L43 WeakPolarHBondContact O-CG 3.48Å; D39-L43 PolarHBondContact O-N 3.15Å
40	E	94.3	Very high	92	Very high	160 Å²	160	52.2 Å²	52.2	75%	0.748	25%	0.251	S	S	*	.	H	α-helix	trans	-64.7	-44	172.8	-69.3	178.5	172.1	0	0	112.4	S38 M42 L43 F44	S38-E40 PolarHBondContact O-N 3.22Å; E40-M42 VanDerWaalsContact C-N 3.31Å; E40-M42 PolarHBondContact O-N 3.43Å; E40-L43 PolarHBondContact O-N 3.44Å; E40-F44 PolarHBondContact O-N 3.12Å
41	E	94.8	Very high	92.4	Very high	17 Å²	17	51.8 Å²	51.8	8%	0.079	25%	0.248	C	C	.	.	H	α-helix	trans	-64.2	-39.5	176.4	-70.4	166.6	154.3	0	0	111	P37 S38 F44 I45 L98 K101 Y102	P37-E41 HydrophobicContact CB-CB 3.77Å; P37-E41 WeakPolarHBondContact CB-OE2 3.35Å; S38-E41 PolarHBondContact N-OE2 2.9Å; S38-E41 PolarHBondContact O-N 3.15Å; S38-E41 VanDerWaalsContact O-N 3.15Å; S38-E41 WeakPolarHBondContact OG-CG 2.96Å; S38-E41 PolarHBondContact OG-N 2.98Å; S38-E41 PolarHBondContact OG-OE2 3.14Å; E41-F44 PolarHBondContact O-N 3.37Å; E41-I45 WeakPolarHBondContact O-CD1 3.41Å; E41-I45 VanDerWaalsContact O-CG1 3.28Å; E41-I45 WeakPolarHBondContact O-CG1 3.42Å; E41-I45 PolarHBondContact O-N 3Å; E41-L98 HydrophobicContact CB-CD2 4.01Å; E41-L98 VanDerWaalsContact CD-CD2 3.47Å; E41-L98 HydrophobicContact CG-CD2 3.91Å; E41-K101 IonicContact OE1-NZ 2.69Å; E41-K101 PolarHBondContact OE1-NZ 3.27Å; E41-K101 IonicContact OE2-NZ 3.82Å; E41-Y102 PolarHBondContact OE1-OH 3.19Å; E41-Y102 VanDerWaalsContact OE2-CE2 3.24Å; E41-Y102 WeakPolarHBondContact OE2-CE2 3.27Å; E41-Y102 VanDerWaalsContact OE2-CZ 3.31Å; E41-Y102 PolarHBondContact OE2-OH 3.3Å
42	M	92	Very high	92.8	Very high	20 Å²	20	49.6 Å²	49.6	10%	0.099	24%	0.24	C	C	.	.	H	α-helix	trans	-65.5	-39.3	175.3	-68.9	-66	-61.4	0	0	112.2	W2 P37 S38 D39 E40 Y46	W2-M42 HydrophobicContact CD2-CB 4.23Å; W2-M42 HydrophobicContact CD2-CE 4.47Å; W2-M42 HydrophobicContact CE3-CB 3.94Å; W2-M42 HydrophobicContact CE3-CE 3.91Å; W2-M42 HydrophobicContact CH2-CB 3.43Å; W2-M42 VanDerWaalsContact CH2-CB 3.43Å; W2-M42 HydrophobicContact CZ2-CB 3.75Å; W2-M42 HydrophobicContact CZ3-CB 3.55Å; W2-M42 HydrophobicContact CZ3-CE 4.34Å; P37-M42 HydrophobicContact CB-CG 4.14Å; P37-M42 HydrophobicContact CB-SD 4.09Å; P37-M42 HydrophobicContact CG-SD 4.03Å; S38-M42 VanDerWaalsContact O-CG 3.27Å; S38-M42 WeakPolarHBondContact O-CG 3.44Å; S38-M42 PolarHBondContact O-N 3.47Å; D39-M42 PolarHBondContact O-N 2.92Å; E40-M42 VanDerWaalsContact C-N 3.31Å; E40-M42 PolarHBondContact O-N 3.43Å; M42-Y46 WeakPolarHBondContact O-CB 3.47Å; M42-Y46 PolarHBondContact O-N 2.52Å
43	L	94.2	Very high	92.9	Very high	40 Å²	40	47 Å²	47	21%	0.209	23%	0.231	C	C	.	.	H	α-helix	trans	-65.1	-42	175.1	-75.9	171.9	0	0	0	111.4	W2 D39 E40 Y46 G47 A71 K72 A75	W2-L43 HydrophobicContact CH2-CB 4.34Å; W2-L43 HydrophobicContact CH2-CD2 3.59Å; W2-L43 HydrophobicContact CH2-CG 3.64Å; W2-L43 HydrophobicContact CZ2-CD2 4.11Å; W2-L43 HydrophobicContact CZ2-CG 3.95Å; D39-L43 WeakPolarHBondContact O-CB 3.28Å; D39-L43 VanDerWaalsContact O-CG 3.28Å; D39-L43 WeakPolarHBondContact O-CG 3.48Å; D39-L43 PolarHBondContact O-N 3.15Å; E40-L43 PolarHBondContact O-N 3.44Å; L43-Y46 PolarHBondContact O-N 3.29Å; L43-G47 PolarHBondContact O-N 2.83Å; L43-A71 HydrophobicContact CD1-CB 4.16Å; L43-A71 HydrophobicContact CD2-CB 3.84Å; L43-A71 WeakPolarHBondContact CD2-O 3.2Å; L43-K72 HydrophobicContact CD2-CG 4.11Å; L43-A75 HydrophobicContact CB-CB 4.17Å; L43-A75 HydrophobicContact CD2-CB 4.24Å
44	F	96	Very high	93.1	Very high	77 Å²	77	49.2 Å²	49.2	34%	0.338	24%	0.244	S	C	.	.	H	α-helix	trans	-58.5	-51.4	175.6	-175.5	-75.8	0	0	0	111.4	E40 E41 Y46 G47 H48 A90 K94	E40-F44 PolarHBondContact O-N 3.12Å; E41-F44 PolarHBondContact O-N 3.37Å; F44-Y46 VanDerWaalsContact C-N 3.32Å; F44-Y46 PolarHBondContact O-N 2.84Å; F44-G47 PolarHBondContact O-N 3.49Å; F44-H48 AromaticContact CD1-CE1 3.95Å; F44-H48 AromaticContact CD1-ND1 3.52Å; F44-H48 AromaticContact CD2-CE1 3.69Å; F44-H48 AromaticContact CD2-ND1 3.99Å; F44-H48 AromaticContact CE1-CE1 3.56Å; F44-H48 AromaticContact CE1-CG 3.92Å; F44-H48 AromaticContact CE1-ND1 3.4Å; F44-H48 WeakPolarHBondContact CE1-ND1 3.41Å; F44-H48 AromaticContact CE2-CE1 3.3Å; F44-H48 WeakPolarHBondContact CE2-CE1 3.33Å; F44-H48 AromaticContact CE2-ND1 3.9Å; F44-H48 AromaticContact CG-ND1 3.82Å; F44-H48 AromaticContact CZ-CE1 3.23Å; F44-H48 WeakPolarHBondContact CZ-CE1 3.28Å; F44-H48 AromaticContact CZ-ND1 3.62Å; F44-H48 AromaticContact CZ-NE2 3.68Å; F44-H48 PolarHBondContact O-N 3.5Å; F44-H48 VanDerWaalsContact O-N 3.12Å; F44-H48 PolarHBondContact O-ND1 3.49Å; F44-A90 HydrophobicContact CZ-CB 4.33Å; F44-K94 HydrophobicContact CD1-CB 3.73Å; F44-K94 HydrophobicContact CD1-CD 4.04Å; F44-K94 HydrophobicContact CD1-CG 3.5Å; F44-K94 VanDerWaalsContact CD1-CG 3.5Å; F44-K94 HydrophobicContact CE1-CB 3.44Å; F44-K94 VanDerWaalsContact CE1-CB 3.44Å; F44-K94 HydrophobicContact CE1-CD 4.16Å; F44-K94 HydrophobicContact CE1-CG 3.73Å; F44-K94 HydrophobicContact CG-CD 4.44Å; F44-K94 HydrophobicContact CG-CG 4.28Å; F44-K94 HydrophobicContact CZ-CB 4.34Å
45	I	93.9	Very high	93.2	Very high	7 Å²	7	42.5 Å²	42.5	4%	0.036	22%	0.218	C	C	.	.	H	α-helix	trans	-57.1	-48.3	177.8	-71	164.9	0	0	0	109.9	L8 V30 E41 Y49 Y91 K94 L98	L8-I45 HydrophobicContact CD1-CG2 4.12Å; V30-I45 HydrophobicContact CG2-CD1 3.6Å; V30-I45 HydrophobicContact CG2-CG1 4.46Å; E41-I45 WeakPolarHBondContact O-CD1 3.41Å; E41-I45 VanDerWaalsContact O-CG1 3.28Å; E41-I45 WeakPolarHBondContact O-CG1 3.42Å; E41-I45 PolarHBondContact O-N 3Å; I45-Y49 WeakPolarHBondContact O-CB 3.36Å; I45-Y49 PolarHBondContact O-N 2.86Å; I45-Y91 HydrophobicContact CB-CE2 4.21Å; I45-Y91 HydrophobicContact CG2-CD2 4.27Å; I45-Y91 HydrophobicContact CG2-CE2 3.39Å; I45-Y91 WeakPolarHBondContact O-CD2 3.36Å; I45-Y91 WeakPolarHBondContact O-CE2 3.38Å; I45-K94 HydrophobicContact CG1-CG 4.42Å; I45-L98 HydrophobicContact CD1-CD1 3.2Å; I45-L98 HydrophobicContact CG1-CD1 3.99Å
46	Y	93.8	Very high	93.6	Very high	44 Å²	44	42 Å²	42	17%	0.173	21%	0.212	C	C	.	.	H	α-helix	trans	-60.3	-52	-179.1	175.2	-90.1	0	0	0	112	L5 M42 L43 F44 H48 Y49 K50 K72 W76	L5-Y46 HydrophobicContact CD2-CD2 4.16Å; L5-Y46 HydrophobicContact CD2-CE2 4.47Å; M42-Y46 WeakPolarHBondContact O-CB 3.47Å; M42-Y46 PolarHBondContact O-N 2.52Å; L43-Y46 PolarHBondContact O-N 3.29Å; F44-Y46 VanDerWaalsContact C-N 3.32Å; F44-Y46 PolarHBondContact O-N 2.84Å; Y46-H48 PolarHBondContact O-N 3.46Å; Y46-Y49 PolarHBondContact O-N 3.24Å; Y46-K50 HydrophobicContact CD1-CG 4.2Å; Y46-K50 HydrophobicContact CD2-CG 4.33Å; Y46-K50 HydrophobicContact CE1-CG 3.71Å; Y46-K50 HydrophobicContact CE2-CD 4.11Å; Y46-K50 HydrophobicContact CE2-CG 3.9Å; Y46-K50 HydrophobicContact CG-CG 4.48Å; Y46-K50 VanDerWaalsContact O-CG 3.31Å; Y46-K50 WeakPolarHBondContact O-CG 3.42Å; Y46-K50 PolarHBondContact O-N 3.37Å; Y46-K72 HydrophobicContact CD1-CB 3.77Å; Y46-K72 HydrophobicContact CD1-CG 3.92Å; Y46-K72 HydrophobicContact CD2-CD 4.24Å; Y46-K72 HydrophobicContact CD2-CG 4.37Å; Y46-K72 HydrophobicContact CE1-CB 3.46Å; Y46-K72 VanDerWaalsContact CE1-CB 3.46Å; Y46-K72 HydrophobicContact CE1-CD 4.46Å; Y46-K72 HydrophobicContact CE1-CG 4.02Å; Y46-K72 WeakPolarHBondContact CE1-O 3.45Å; Y46-K72 HydrophobicContact CE2-CB 4.48Å; Y46-K72 HydrophobicContact CE2-CD 4.06Å; Y46-K72 HydrophobicContact CE2-CG 4.41Å; Y46-K72 HydrophobicContact CG-CB 4.43Å; Y46-K72 HydrophobicContact CG-CD 4.48Å; Y46-K72 HydrophobicContact CG-CG 4.11Å; Y46-W76 HydrophobicContact CE1-CB 4.3Å
47	G	95.1	Very high	93.9	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-57.7	-50.8	-178.2	0	0	0	0	0	111.6	L43 F44 Y49 K50 Q51 L79	L43-G47 PolarHBondContact O-N 2.83Å; F44-G47 PolarHBondContact O-N 3.49Å; G47-Y49 PolarHBondContact O-N 3.27Å; G47-K50 PolarHBondContact O-N 3.09Å; G47-Q51 PolarHBondContact O-N 2.86Å; G47-L79 WeakPolarHBondContact O-CD1 3.41Å
48	H	95.9	Very high	94.1	Very high	20 Å²	20	42.8 Å²	42.8	9%	0.093	22%	0.222	C	C	.	.	H	α-helix	trans	-67	-37.9	-178.6	-71.7	82.4	0	0	0	112.4	F44 Y46 Q51 A52 L79 A90 Y91	F44-H48 AromaticContact CD1-CE1 3.95Å; F44-H48 AromaticContact CD1-ND1 3.52Å; F44-H48 AromaticContact CD2-CE1 3.69Å; F44-H48 AromaticContact CD2-ND1 3.99Å; F44-H48 AromaticContact CE1-CE1 3.56Å; F44-H48 AromaticContact CE1-CG 3.92Å; F44-H48 AromaticContact CE1-ND1 3.4Å; F44-H48 WeakPolarHBondContact CE1-ND1 3.41Å; F44-H48 AromaticContact CE2-CE1 3.3Å; F44-H48 WeakPolarHBondContact CE2-CE1 3.33Å; F44-H48 AromaticContact CE2-ND1 3.9Å; F44-H48 AromaticContact CG-ND1 3.82Å; F44-H48 AromaticContact CZ-CE1 3.23Å; F44-H48 WeakPolarHBondContact CZ-CE1 3.28Å; F44-H48 AromaticContact CZ-ND1 3.62Å; F44-H48 AromaticContact CZ-NE2 3.68Å; F44-H48 PolarHBondContact O-N 3.5Å; F44-H48 VanDerWaalsContact O-N 3.12Å; F44-H48 PolarHBondContact O-ND1 3.49Å; Y46-H48 PolarHBondContact O-N 3.46Å; H48-Q51 PolarHBondContact O-N 3.03Å; H48-A52 WeakPolarHBondContact O-CB 3.42Å; H48-A52 PolarHBondContact O-N 2.88Å; H48-L79 HydrophobicContact CB-CD1 4.32Å; H48-A90 WeakPolarHBondContact CD2-CB 3.3Å; H48-Y91 HydrophobicContact CB-CD2 4.22Å
49	Y	94	Very high	94.1	Very high	11 Å²	11	44 Å²	44	4%	0.043	23%	0.228	C	C	.	.	H	α-helix	trans	-62.1	-44.5	174.2	177.5	-86.5	0	0	0	111.7	L8 P9 F23 I45 Y46 G47 A52 T53 Y91	L8-Y49 HydrophobicContact CB-CD1 4.43Å; L8-Y49 HydrophobicContact CB-CD2 4.11Å; L8-Y49 HydrophobicContact CB-CE1 4.11Å; L8-Y49 HydrophobicContact CB-CE2 3.74Å; L8-Y49 HydrophobicContact CB-CG 4.44Å; L8-Y49 HydrophobicContact CD1-CD1 4.12Å; L8-Y49 HydrophobicContact CD1-CD2 3.73Å; L8-Y49 HydrophobicContact CD1-CE2 4.25Å; L8-Y49 HydrophobicContact CD1-CG 3.66Å; L8-Y49 HydrophobicContact CD2-CD1 3.65Å; L8-Y49 HydrophobicContact CD2-CE1 3.81Å; L8-Y49 HydrophobicContact CD2-CG 4.1Å; L8-Y49 HydrophobicContact CG-CD1 4.27Å; L8-Y49 HydrophobicContact CG-CD2 4.35Å; L8-Y49 HydrophobicContact CG-CE1 4.37Å; L8-Y49 HydrophobicContact CG-CE2 4.44Å; L8-Y49 HydrophobicContact CG-CG 4.27Å; P9-Y49 WeakPolarHBondContact CD-OH 3.4Å; P9-Y49 WeakPolarHBondContact CG-OH 3.4Å; P9-Y49 PolarHBondContact O-OH 2.9Å; F23-Y49 HydrophobicContact CE1-CD2 4.16Å; F23-Y49 HydrophobicContact CE1-CE2 4.19Å; F23-Y49 HydrophobicContact CE2-CD2 4.3Å; F23-Y49 AromaticContact CZ-CD2 3.46Å; F23-Y49 HydrophobicContact CZ-CD2 3.46Å; F23-Y49 VanDerWaalsContact CZ-CD2 3.46Å; F23-Y49 AromaticContact CZ-CE2 3.95Å; F23-Y49 HydrophobicContact CZ-CE2 3.95Å; F23-Y49 HydrophobicContact CZ-CG 4.25Å; I45-Y49 WeakPolarHBondContact O-CB 3.36Å; I45-Y49 PolarHBondContact O-N 2.86Å; Y46-Y49 PolarHBondContact O-N 3.24Å; G47-Y49 PolarHBondContact O-N 3.27Å; Y49-A52 PolarHBondContact O-N 3.3Å; Y49-T53 HydrophobicContact CD1-CG2 4.4Å; Y49-T53 HydrophobicContact CD2-CG2 4.39Å; Y49-T53 HydrophobicContact CE1-CG2 3.94Å; Y49-T53 HydrophobicContact CE2-CG2 3.96Å; Y49-T53 WeakPolarHBondContact O-CB 3.19Å; Y49-T53 WeakPolarHBondContact O-CG2 3.46Å; Y49-T53 PolarHBondContact O-N 3.35Å; Y49-T53 PolarHBondContact O-OG1 3.4Å; Y49-Y91 HydrophobicContact CD2-CE2 4.26Å; Y49-Y91 HydrophobicContact CG-CE2 4.46Å
50	K	94.3	Very high	94.3	Very high	48 Å²	48	48.6 Å²	48.6	21%	0.209	25%	0.246	C	C	.	.	H	α-helix	trans	-63.3	-43.4	177.4	-70.6	-61.2	-60.2	179.1	0	111.4	Y46 G47 T53 V54 G55 W76	Y46-K50 HydrophobicContact CD1-CG 4.2Å; Y46-K50 HydrophobicContact CD2-CG 4.33Å; Y46-K50 HydrophobicContact CE1-CG 3.71Å; Y46-K50 HydrophobicContact CE2-CD 4.11Å; Y46-K50 HydrophobicContact CE2-CG 3.9Å; Y46-K50 HydrophobicContact CG-CG 4.48Å; Y46-K50 VanDerWaalsContact O-CG 3.31Å; Y46-K50 WeakPolarHBondContact O-CG 3.42Å; Y46-K50 PolarHBondContact O-N 3.37Å; G47-K50 PolarHBondContact O-N 3.09Å; K50-T53 PolarHBondContact O-N 3.39Å; K50-T53 PolarHBondContact O-OG1 2.94Å; K50-V54 WeakPolarHBondContact O-CA 3.49Å; K50-V54 WeakPolarHBondContact O-CB 3.41Å; K50-V54 PolarHBondContact O-N 3.02Å; K50-G55 PolarHBondContact O-N 2.96Å; K50-W76 HydrophobicContact CB-CB 4.25Å; K50-W76 HydrophobicContact CB-CD2 3.53Å; K50-W76 HydrophobicContact CB-CE3 4.11Å; K50-W76 HydrophobicContact CB-CG 3.57Å; K50-W76 HydrophobicContact CB-CZ2 4.34Å; K50-W76 HydrophobicContact CG-CD2 4.1Å; K50-W76 HydrophobicContact CG-CE3 4.2Å; K50-W76 HydrophobicContact CG-CG 4.31Å
51	Q	95.9	Very high	94.3	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.009	23%	0.232	C	C	.	.	H	α-helix	trans	-65.1	-41.9	176.7	-168.9	65.3	17.4	0	0	112.1	G47 H48 T53 G55 D56 L79 T82 A87	G47-Q51 PolarHBondContact O-N 2.86Å; H48-Q51 PolarHBondContact O-N 3.03Å; Q51-T53 PolarHBondContact O-N 2.94Å; Q51-G55 WeakPolarHBondContact O-CA 3.48Å; Q51-G55 PolarHBondContact O-N 3.28Å; Q51-G55 VanDerWaalsContact OE1-C 3.27Å; Q51-G55 PolarHBondContact OE1-O 3.03Å; Q51-D56 PolarHBondContact NE2-OD1 3.38Å; Q51-L79 HydrophobicContact CB-CB 4.15Å; Q51-L79 HydrophobicContact CB-CD1 4.15Å; Q51-L79 VanDerWaalsContact CD-O 3.24Å; Q51-L79 HydrophobicContact CG-CB 4.02Å; Q51-L79 PolarHBondContact NE2-O 3.44Å; Q51-T82 PolarHBondContact NE2-O 3.33Å; Q51-A87 HydrophobicContact CB-CB 3.84Å; Q51-A87 HydrophobicContact CG-CB 3.83Å
52	A	93.6	Very high	94.2	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.008	24%	0.241	C	C	.	.	H	α-helix	trans	-63.8	-40.1	177.8	0	0	0	0	0	112.7	F23 H48 Y49 K84 A87 M88	F23-A52 HydrophobicContact CE1-CB 4.31Å; F23-A52 HydrophobicContact CE2-CB 3.84Å; F23-A52 HydrophobicContact CZ-CB 3.68Å; H48-A52 WeakPolarHBondContact O-CB 3.42Å; H48-A52 PolarHBondContact O-N 2.88Å; Y49-A52 PolarHBondContact O-N 3.3Å; A52-K84 WeakPolarHBondContact O-CD 3.31Å; A52-K84 WeakPolarHBondContact O-CG 3.24Å; A52-A87 HydrophobicContact CB-CB 4.06Å; A52-M88 HydrophobicContact CB-CE 4.37Å; A52-M88 HydrophobicContact CB-CG 3.6Å
53	T	91.6	Very high	94.3	Very high	41 Å²	41	49.4 Å²	49.4	25%	0.252	26%	0.262	S	S	.	.	H	α-helix	trans	-89.3	-48.9	-174	53.7	0	0	0	0	112.8	A11 F23 Y49 K50 Q51 K84	A11-T53 HydrophobicContact CB-CG2 4.48Å; F23-T53 HydrophobicContact CE1-CG2 4.05Å; F23-T53 HydrophobicContact CZ-CG2 4.26Å; Y49-T53 HydrophobicContact CD1-CG2 4.4Å; Y49-T53 HydrophobicContact CD2-CG2 4.39Å; Y49-T53 HydrophobicContact CE1-CG2 3.94Å; Y49-T53 HydrophobicContact CE2-CG2 3.96Å; Y49-T53 WeakPolarHBondContact O-CB 3.19Å; Y49-T53 WeakPolarHBondContact O-CG2 3.46Å; Y49-T53 PolarHBondContact O-N 3.35Å; Y49-T53 PolarHBondContact O-OG1 3.4Å; K50-T53 PolarHBondContact O-N 3.39Å; K50-T53 PolarHBondContact O-OG1 2.94Å; Q51-T53 PolarHBondContact O-N 2.94Å; T53-K84 PolarHBondContact O-NZ 2.87Å
54	V	93.4	Very high	93.9	Very high	59 Å²	59	55.2 Å²	55.2	36%	0.358	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-31.8	-174.8	-174	0	0	0	0	111.7	K50 W76	K50-V54 WeakPolarHBondContact O-CA 3.49Å; K50-V54 WeakPolarHBondContact O-CB 3.41Å; K50-V54 PolarHBondContact O-N 3.02Å; V54-W76 HydrophobicContact CB-CH2 4.25Å; V54-W76 HydrophobicContact CB-CZ2 3.75Å; V54-W76 HydrophobicContact CG1-CH2 3.91Å; V54-W76 HydrophobicContact CG1-CZ2 3.67Å; V54-W76 HydrophobicContact CG2-CZ2 4.41Å
55	G	92.7	Very high	93.7	Very high	10 Å²	10	59 Å²	59	10%	0.103	31%	0.313	C	S	.	.			trans	86.1	-154.1	-164.9	0	0	0	0	0	111	K50 Q51 W76	K50-G55 PolarHBondContact O-N 2.96Å; Q51-G55 WeakPolarHBondContact O-CA 3.48Å; Q51-G55 PolarHBondContact O-N 3.28Å; Q51-G55 VanDerWaalsContact OE1-C 3.27Å; Q51-G55 PolarHBondContact OE1-O 3.03Å; G55-W76 WeakPolarHBondContact O-CZ2 3.44Å; G55-W76 PolarHBondContact O-NE1 3.12Å
56	D	97.3	Very high	93.5	Very high	65 Å²	65	62.5 Å²	62.5	35%	0.348	33%	0.332	S	S	.	.	S	Bend	trans	-53	144.9	-178	-75.7	3	0	0	0	113.2	Q51 N58 K80 G81	Q51-D56 PolarHBondContact NE2-OD1 3.38Å; D56-N58 PolarHBondContact O-N 3.4Å; D56-K80 HydrophobicContact CB-CG 4.07Å; D56-K80 VanDerWaalsContact OD2-CG 3.32Å; D56-K80 WeakPolarHBondContact OD2-CG 3.48Å; D56-G81 PolarHBondContact OD1-N 2.96Å; D56-G81 PolarHBondContact OD2-N 3.08Å
57	I	94.2	Very high	93.4	Very high	22 Å²	22	67.3 Å²	67.3	11%	0.113	35%	0.354	C	S	.	.			trans	-57.3	132.4	179.3	-163.4	154.5	0	0	0	112.2	W73 W76 N77	I57-W73 VanDerWaalsContact CD1-CD1 3.46Å; I57-W73 HydrophobicContact CD1-CD2 3.67Å; I57-W73 VanDerWaalsContact CD1-CE2 3.46Å; I57-W73 HydrophobicContact CD1-CE3 4.47Å; I57-W73 HydrophobicContact CD1-CG 3.67Å; I57-W73 HydrophobicContact CD1-CZ2 4.1Å; I57-W73 VanDerWaalsContact CD1-NE1 3.32Å; I57-W73 WeakPolarHBondContact CD1-O 3.41Å; I57-W76 HydrophobicContact CB-CD2 3.87Å; I57-W76 HydrophobicContact CB-CE3 4.24Å; I57-W76 HydrophobicContact CB-CG 4.19Å; I57-W76 HydrophobicContact CB-CZ2 4.29Å; I57-W76 HydrophobicContact CD1-CB 3.99Å; I57-W76 HydrophobicContact CD1-CD2 3.72Å; I57-W76 HydrophobicContact CD1-CE3 3.53Å; I57-W76 HydrophobicContact CD1-CG 3.94Å; I57-W76 HydrophobicContact CD1-CZ3 4.24Å; I57-W76 HydrophobicContact CG1-CD2 3.7Å; I57-W76 HydrophobicContact CG1-CE3 3.55Å; I57-W76 HydrophobicContact CG1-CG 4.28Å; I57-W76 HydrophobicContact CG1-CH2 4.22Å; I57-W76 HydrophobicContact CG1-CZ2 4.36Å; I57-W76 HydrophobicContact CG1-CZ3 3.83Å; I57-N77 HydrophobicContact CD1-CB 3.98Å; I57-N77 HydrophobicContact CG2-CB 3.97Å; I57-N77 VanDerWaalsContact CG2-OD1 3.31Å; I57-N77 WeakPolarHBondContact CG2-OD1 3.4Å
58	N	94	Very high	93.1	Very high	116 Å²	116	68.7 Å²	68.7	62%	0.62	36%	0.362	S	S	*	.			trans	-132.3	20	-172.5	64.7	0	0	0	0	113	D56 W76	D56-N58 PolarHBondContact O-N 3.4Å; N58-W76 WeakPolarHBondContact OD1-CH2 3.19Å
59	T	93.8	Very high	92.9	Very high	75 Å²	75	68.6 Å²	68.6	46%	0.46	37%	0.366	S	S	.	.	S	Bend	trans	-124.5	155.9	-179.3	59	0	0	0	0	110.6	W73	T59-W73 PolarHBondContact O-NE1 3.04Å
60	E	95.4	Very high	92.9	Very high	184 Å²	184	70.8 Å²	70.8	86%	0.86	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-69.6	148.8	173.9	-64.7	-175.7	174.9	0	0	111.5	W73	E60-W73 VanDerWaalsContact C-NE1 3.35Å; E60-W73 PolarHBondContact O-NE1 3.3Å
61	R	94.4	Very high	92.9	Very high	121 Å²	121	70 Å²	70	46%	0.457	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-69.4	129.8	178.3	-171.7	171.7	-173.7	-131.8	17.5	110.5	W73 D74	R61-W73 HydrophobicContact CB-CD2 3.76Å; R61-W73 HydrophobicContact CB-CE3 3.95Å; R61-W73 HydrophobicContact CB-CG 4.35Å; R61-W73 HydrophobicContact CB-CH2 4.11Å; R61-W73 HydrophobicContact CB-CZ2 3.9Å; R61-W73 HydrophobicContact CB-CZ3 4.13Å; R61-W73 HydrophobicContact CG-CD2 3.71Å; R61-W73 HydrophobicContact CG-CE3 3.57Å; R61-W73 HydrophobicContact CG-CG 4.2Å; R61-W73 HydrophobicContact CG-CH2 4.48Å; R61-W73 HydrophobicContact CG-CZ3 3.99Å; R61-D74 IonicContact CZ-OD1 2.7Å; R61-D74 VanDerWaalsContact CZ-OD1 3.28Å; R61-D74 IonicContact CZ-OD2 2.96Å; R61-D74 IonicContact NE-OD1 3.45Å; R61-D74 PolarHBondContact NE-OD1 2.99Å; R61-D74 IonicContact NE-OD2 2.65Å; R61-D74 VanDerWaalsContact NH2-CG 3.3Å; R61-D74 IonicContact NH2-OD1 2.69Å; R61-D74 PolarHBondContact NH2-OD1 3.42Å; R61-D74 IonicContact NH2-OD2 2.75Å; R61-D74 PolarHBondContact NH2-OD2 3.08Å
62	P	93.7	Very high	92.7	Very high	40 Å²	40	71 Å²	71	26%	0.26	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-56.8	152.9	177	-28.7	37.9	0	0	0	113.7	D66 W73	P62-D66 HydrophobicContact CB-CB 4.19Å; P62-W73 HydrophobicContact CG-CB 4.27Å
63	G	92.7	Very high	92.8	Very high	53 Å²	53	72.8 Å²	72.8	55%	0.546	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-65.6	162.3	-178.4	0	0	0	0	0	113.9	L65 D66	G63-L65 PolarHBondContact O-N 3.07Å; G63-D66 PolarHBondContact O-N 3.44Å
64	M	85.6	Confident	93.1	Very high	162 Å²	162	72.9 Å²	72.9	80%	0.798	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-19.6	-170.9	-67.3	-169.2	-75.1	0	0	115.9	F67	M64-F67 WeakPolarHBondContact O-CE1 3.42Å
65	L	93	Very high	93.2	Very high	158 Å²	158	70.8 Å²	70.8	83%	0.827	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-13.6	179.4	-58.2	-179.9	0	0	0	113.3	G63 F67	G63-L65 PolarHBondContact O-N 3.07Å; L65-F67 PolarHBondContact O-N 2.72Å
66	D	90.1	Very high	93.4	Very high	79 Å²	79	70.6 Å²	70.6	42%	0.422	37%	0.374	S	S	.	.			trans	-94.1	76.1	174.9	-178.2	10	0	0	0	110.4	P62 G63 T68 G69 K70	P62-D66 HydrophobicContact CB-CB 4.19Å; G63-D66 PolarHBondContact O-N 3.44Å; D66-T68 VanDerWaalsContact C-N 3.31Å; D66-T68 PolarHBondContact O-N 3.33Å; D66-G69 PolarHBondContact OD1-N 3.4Å; D66-G69 WeakPolarHBondContact OD2-CA 3.41Å; D66-K70 WeakPolarHBondContact O-CB 3.45Å; D66-K70 PolarHBondContact O-N 2.99Å
67	F	90	Very high	93.5	Very high	145 Å²	145	70.3 Å²	70.3	64%	0.636	37%	0.372	S	S	*	.	H	α-helix	trans	-61.2	-38	-177.5	-59.8	-71.3	0	0	0	112.9	M64 L65 A71	M64-F67 WeakPolarHBondContact O-CE1 3.42Å; L65-F67 PolarHBondContact O-N 2.72Å; F67-A71 WeakPolarHBondContact O-CB 3.4Å; F67-A71 PolarHBondContact O-N 3.22Å
68	T	88.9	Confident	93.7	Very high	31 Å²	31	76.7 Å²	76.7	19%	0.19	40%	0.402	C	S	.	.	H	α-helix	trans	-73.4	-45.8	-179.1	-57.7	0	0	0	0	111.8	D66 K70 A71 K72	D66-T68 VanDerWaalsContact C-N 3.31Å; D66-T68 PolarHBondContact O-N 3.33Å; T68-K70 VanDerWaalsContact C-N 3.32Å; T68-A71 PolarHBondContact O-N 3.27Å; T68-K72 WeakPolarHBondContact O-CG 3.31Å; T68-K72 PolarHBondContact O-N 2.99Å; T68-K72 VanDerWaalsContact O-N 3.09Å
69	G	91.6	Very high	93.8	Very high	17 Å²	17	72.4 Å²	72.4	18%	0.175	38%	0.378	C	S	.	.	H	α-helix	trans	-62.3	-42	175.5	0	0	0	0	0	111.5	D66 K72 W73	D66-G69 PolarHBondContact OD1-N 3.4Å; D66-G69 WeakPolarHBondContact OD2-CA 3.41Å; G69-K72 PolarHBondContact O-N 2.92Å; G69-W73 WeakPolarHBondContact O-CB 3.41Å; G69-W73 PolarHBondContact O-N 3.42Å
70	K	94.2	Very high	94	Very high	58 Å²	58	75 Å²	75	25%	0.252	38%	0.384	S	S	.	.	H	α-helix	trans	-59	-47.6	175.1	-177.2	-176.3	176.6	-169.5	0	112.1	D66 T68 K72 W73 D74	D66-K70 WeakPolarHBondContact O-CB 3.45Å; D66-K70 PolarHBondContact O-N 2.99Å; T68-K70 VanDerWaalsContact C-N 3.32Å; K70-K72 PolarHBondContact O-N 2.99Å; K70-W73 PolarHBondContact O-N 3.27Å; K70-D74 WeakPolarHBondContact O-CB 3.46Å; K70-D74 PolarHBondContact O-N 3.44Å
71	A	94.1	Very high	94.1	Very high	32 Å²	32	69.3 Å²	69.3	26%	0.264	37%	0.374	S	S	.	.	H	α-helix	trans	-61.9	-42.2	178.9	0	0	0	0	0	112.4	L43 F67 T68 D74 A75	L43-A71 HydrophobicContact CD1-CB 4.16Å; L43-A71 HydrophobicContact CD2-CB 3.84Å; L43-A71 WeakPolarHBondContact CD2-O 3.2Å; F67-A71 WeakPolarHBondContact O-CB 3.4Å; F67-A71 PolarHBondContact O-N 3.22Å; T68-A71 PolarHBondContact O-N 3.27Å; A71-D74 PolarHBondContact O-N 3.35Å; A71-A75 WeakPolarHBondContact O-CB 3.35Å; A71-A75 PolarHBondContact O-N 3.25Å
72	K	93.5	Very high	94.2	Very high	21 Å²	21	65.9 Å²	65.9	9%	0.091	37%	0.366	C	S	.	.	H	α-helix	trans	-62.4	-46	174.5	-78.2	178	-171.1	169	0	112.2	W2 L5 L43 Y46 T68 G69 K70 D74 A75 W76	W2-K72 HydrophobicContact CZ3-CG 4.39Å; L5-K72 HydrophobicContact CD2-CD 4.22Å; L5-K72 VanDerWaalsContact CD2-CE 3.47Å; L43-K72 HydrophobicContact CD2-CG 4.11Å; Y46-K72 HydrophobicContact CD1-CB 3.77Å; Y46-K72 HydrophobicContact CD1-CG 3.92Å; Y46-K72 HydrophobicContact CD2-CD 4.24Å; Y46-K72 HydrophobicContact CD2-CG 4.37Å; Y46-K72 HydrophobicContact CE1-CB 3.46Å; Y46-K72 VanDerWaalsContact CE1-CB 3.46Å; Y46-K72 HydrophobicContact CE1-CD 4.46Å; Y46-K72 HydrophobicContact CE1-CG 4.02Å; Y46-K72 WeakPolarHBondContact CE1-O 3.45Å; Y46-K72 HydrophobicContact CE2-CB 4.48Å; Y46-K72 HydrophobicContact CE2-CD 4.06Å; Y46-K72 HydrophobicContact CE2-CG 4.41Å; Y46-K72 HydrophobicContact CG-CB 4.43Å; Y46-K72 HydrophobicContact CG-CD 4.48Å; Y46-K72 HydrophobicContact CG-CG 4.11Å; T68-K72 WeakPolarHBondContact O-CG 3.31Å; T68-K72 PolarHBondContact O-N 2.99Å; T68-K72 VanDerWaalsContact O-N 3.09Å; G69-K72 PolarHBondContact O-N 2.92Å; K70-K72 PolarHBondContact O-N 2.99Å; K72-D74 VanDerWaalsContact C-N 3.34Å; K72-A75 PolarHBondContact O-N 2.83Å; K72-W76 PolarHBondContact O-N 3.3Å; K72-W76 VanDerWaalsContact O-N 3.08Å
73	W	95.5	Very high	94.3	Very high	39 Å²	39	66.3 Å²	66.3	15%	0.148	37%	0.37	C	S	.	.	H	α-helix	trans	-60.9	-45.9	177.2	-172.5	100.6	0	0	0	110.7	I57 T59 E60 R61 P62 G69 K70 A75 W76 N77	I57-W73 VanDerWaalsContact CD1-CD1 3.46Å; I57-W73 HydrophobicContact CD1-CD2 3.67Å; I57-W73 VanDerWaalsContact CD1-CE2 3.46Å; I57-W73 HydrophobicContact CD1-CE3 4.47Å; I57-W73 HydrophobicContact CD1-CG 3.67Å; I57-W73 HydrophobicContact CD1-CZ2 4.1Å; I57-W73 VanDerWaalsContact CD1-NE1 3.32Å; I57-W73 WeakPolarHBondContact CD1-O 3.41Å; T59-W73 PolarHBondContact O-NE1 3.04Å; E60-W73 VanDerWaalsContact C-NE1 3.35Å; E60-W73 PolarHBondContact O-NE1 3.3Å; R61-W73 HydrophobicContact CB-CD2 3.76Å; R61-W73 HydrophobicContact CB-CE3 3.95Å; R61-W73 HydrophobicContact CB-CG 4.35Å; R61-W73 HydrophobicContact CB-CH2 4.11Å; R61-W73 HydrophobicContact CB-CZ2 3.9Å; R61-W73 HydrophobicContact CB-CZ3 4.13Å; R61-W73 HydrophobicContact CG-CD2 3.71Å; R61-W73 HydrophobicContact CG-CE3 3.57Å; R61-W73 HydrophobicContact CG-CG 4.2Å; R61-W73 HydrophobicContact CG-CH2 4.48Å; R61-W73 HydrophobicContact CG-CZ3 3.99Å; P62-W73 HydrophobicContact CG-CB 4.27Å; G69-W73 WeakPolarHBondContact O-CB 3.41Å; G69-W73 PolarHBondContact O-N 3.42Å; K70-W73 PolarHBondContact O-N 3.27Å; W73-A75 PolarHBondContact O-N 2.87Å; W73-W76 PolarHBondContact O-N 3.44Å; W73-N77 HydrophobicContact CD2-CB 4.36Å; W73-N77 HydrophobicContact CE3-CB 3.8Å; W73-N77 HydrophobicContact CH2-CB 3.79Å; W73-N77 VanDerWaalsContact CH2-CG 3.45Å; W73-N77 WeakPolarHBondContact CH2-OD1 3.38Å; W73-N77 HydrophobicContact CZ2-CB 4.36Å; W73-N77 HydrophobicContact CZ3-CB 3.48Å; W73-N77 VanDerWaalsContact CZ3-CB 3.48Å; W73-N77 VanDerWaalsContact CZ3-CG 3.48Å; W73-N77 VanDerWaalsContact O-CB 3.28Å; W73-N77 WeakPolarHBondContact O-CB 3.11Å; W73-N77 PolarHBondContact O-N 2.93Å
74	D	96.6	Very high	94.3	Very high	43 Å²	43	68.8 Å²	68.8	23%	0.23	37%	0.366	C	S	.	.	H	α-helix	trans	-60.1	-48.1	178.6	-70	-18.9	0	0	0	110.4	R61 K70 A71 K72 W76 N77 E78	R61-D74 IonicContact CZ-OD1 2.7Å; R61-D74 VanDerWaalsContact CZ-OD1 3.28Å; R61-D74 IonicContact CZ-OD2 2.96Å; R61-D74 IonicContact NE-OD1 3.45Å; R61-D74 PolarHBondContact NE-OD1 2.99Å; R61-D74 IonicContact NE-OD2 2.65Å; R61-D74 VanDerWaalsContact NH2-CG 3.3Å; R61-D74 IonicContact NH2-OD1 2.69Å; R61-D74 PolarHBondContact NH2-OD1 3.42Å; R61-D74 IonicContact NH2-OD2 2.75Å; R61-D74 PolarHBondContact NH2-OD2 3.08Å; K70-D74 WeakPolarHBondContact O-CB 3.46Å; K70-D74 PolarHBondContact O-N 3.44Å; A71-D74 PolarHBondContact O-N 3.35Å; K72-D74 VanDerWaalsContact C-N 3.34Å; D74-W76 VanDerWaalsContact C-N 3.31Å; D74-W76 PolarHBondContact O-N 3.25Å; D74-N77 PolarHBondContact O-N 3.47Å; D74-E78 WeakPolarHBondContact O-CG 3.39Å; D74-E78 PolarHBondContact O-N 2.89Å
75	A	96.5	Very high	94.7	Very high	15 Å²	15	65.8 Å²	65.8	12%	0.124	35%	0.35	C	S	.	.	H	α-helix	trans	-61.2	-33.5	177.9	0	0	0	0	0	114	L43 A71 K72 W73	L43-A75 HydrophobicContact CB-CB 4.17Å; L43-A75 HydrophobicContact CD2-CB 4.24Å; A71-A75 WeakPolarHBondContact O-CB 3.35Å; A71-A75 PolarHBondContact O-N 3.25Å; K72-A75 PolarHBondContact O-N 2.83Å; W73-A75 PolarHBondContact O-N 2.87Å
76	W	97.4	Very high	94.8	Very high	6 Å²	6	62.4 Å²	62.4	2%	0.023	33%	0.333	C	S	.	.	H	α-helix	trans	-77.7	-41.6	173.8	178.7	20.5	0	0	0	111.5	Y46 K50 V54 G55 I57 N58 K72 W73 D74 E78 L79	Y46-W76 HydrophobicContact CE1-CB 4.3Å; K50-W76 HydrophobicContact CB-CB 4.25Å; K50-W76 HydrophobicContact CB-CD2 3.53Å; K50-W76 HydrophobicContact CB-CE3 4.11Å; K50-W76 HydrophobicContact CB-CG 3.57Å; K50-W76 HydrophobicContact CB-CZ2 4.34Å; K50-W76 HydrophobicContact CG-CD2 4.1Å; K50-W76 HydrophobicContact CG-CE3 4.2Å; K50-W76 HydrophobicContact CG-CG 4.31Å; V54-W76 HydrophobicContact CB-CH2 4.25Å; V54-W76 HydrophobicContact CB-CZ2 3.75Å; V54-W76 HydrophobicContact CG1-CH2 3.91Å; V54-W76 HydrophobicContact CG1-CZ2 3.67Å; V54-W76 HydrophobicContact CG2-CZ2 4.41Å; G55-W76 WeakPolarHBondContact O-CZ2 3.44Å; G55-W76 PolarHBondContact O-NE1 3.12Å; I57-W76 HydrophobicContact CB-CD2 3.87Å; I57-W76 HydrophobicContact CB-CE3 4.24Å; I57-W76 HydrophobicContact CB-CG 4.19Å; I57-W76 HydrophobicContact CB-CZ2 4.29Å; I57-W76 HydrophobicContact CD1-CB 3.99Å; I57-W76 HydrophobicContact CD1-CD2 3.72Å; I57-W76 HydrophobicContact CD1-CE3 3.53Å; I57-W76 HydrophobicContact CD1-CG 3.94Å; I57-W76 HydrophobicContact CD1-CZ3 4.24Å; I57-W76 HydrophobicContact CG1-CD2 3.7Å; I57-W76 HydrophobicContact CG1-CE3 3.55Å; I57-W76 HydrophobicContact CG1-CG 4.28Å; I57-W76 HydrophobicContact CG1-CH2 4.22Å; I57-W76 HydrophobicContact CG1-CZ2 4.36Å; I57-W76 HydrophobicContact CG1-CZ3 3.83Å; N58-W76 WeakPolarHBondContact OD1-CH2 3.19Å; K72-W76 PolarHBondContact O-N 3.3Å; K72-W76 VanDerWaalsContact O-N 3.08Å; W73-W76 PolarHBondContact O-N 3.44Å; D74-W76 VanDerWaalsContact C-N 3.31Å; D74-W76 PolarHBondContact O-N 3.25Å; W76-E78 VanDerWaalsContact C-N 3.28Å; W76-E78 PolarHBondContact O-N 2.95Å; W76-L79 PolarHBondContact O-N 3.46Å; W76-L79 VanDerWaalsContact O-N 3.11Å
77	N	97.9	Very high	95	Very high	59 Å²	59	58.6 Å²	58.6	32%	0.316	31%	0.313	S	S	.	.	H	α-helix	trans	-62.1	-34.1	178.9	-179.2	73.8	0	0	0	112.7	I57 W73 D74 L79 K80	I57-N77 HydrophobicContact CD1-CB 3.98Å; I57-N77 HydrophobicContact CG2-CB 3.97Å; I57-N77 VanDerWaalsContact CG2-OD1 3.31Å; I57-N77 WeakPolarHBondContact CG2-OD1 3.4Å; W73-N77 HydrophobicContact CD2-CB 4.36Å; W73-N77 HydrophobicContact CE3-CB 3.8Å; W73-N77 HydrophobicContact CH2-CB 3.79Å; W73-N77 VanDerWaalsContact CH2-CG 3.45Å; W73-N77 WeakPolarHBondContact CH2-OD1 3.38Å; W73-N77 HydrophobicContact CZ2-CB 4.36Å; W73-N77 HydrophobicContact CZ3-CB 3.48Å; W73-N77 VanDerWaalsContact CZ3-CB 3.48Å; W73-N77 VanDerWaalsContact CZ3-CG 3.48Å; W73-N77 VanDerWaalsContact O-CB 3.28Å; W73-N77 WeakPolarHBondContact O-CB 3.11Å; W73-N77 PolarHBondContact O-N 2.93Å; D74-N77 PolarHBondContact O-N 3.47Å; N77-L79 PolarHBondContact O-N 3.35Å; N77-K80 VanDerWaalsContact O-CB 3.28Å; N77-K80 WeakPolarHBondContact O-CB 3.32Å; N77-K80 PolarHBondContact O-N 3.44Å
78	E	98.1	Very high	95.2	Very high	157 Å²	157	52.5 Å²	52.5	73%	0.734	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-22.9	175.7	-77.3	173.7	-175.1	0	0	113.7	D74 W76	D74-E78 WeakPolarHBondContact O-CG 3.39Å; D74-E78 PolarHBondContact O-N 2.89Å; W76-E78 VanDerWaalsContact C-N 3.28Å; W76-E78 PolarHBondContact O-N 2.95Å
79	L	97.9	Very high	95.5	Very high	25 Å²	25	54.9 Å²	54.9	13%	0.131	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	8.3	179.6	-59.5	175.5	0	0	0	113.5	G47 H48 Q51 W76 N77 G81 T82	G47-L79 WeakPolarHBondContact O-CD1 3.41Å; H48-L79 HydrophobicContact CB-CD1 4.32Å; Q51-L79 HydrophobicContact CB-CB 4.15Å; Q51-L79 HydrophobicContact CB-CD1 4.15Å; Q51-L79 VanDerWaalsContact CD-O 3.24Å; Q51-L79 HydrophobicContact CG-CB 4.02Å; Q51-L79 PolarHBondContact NE2-O 3.44Å; W76-L79 PolarHBondContact O-N 3.46Å; W76-L79 VanDerWaalsContact O-N 3.11Å; N77-L79 PolarHBondContact O-N 3.35Å; L79-G81 PolarHBondContact O-N 2.83Å; L79-T82 WeakPolarHBondContact O-CB 3.21Å; L79-T82 PolarHBondContact O-N 2.96Å; L79-T82 PolarHBondContact O-OG1 3.39Å; L79-T82 VanDerWaalsContact O-OG1 3.1Å
80	K	97.6	Very high	95.7	Very high	131 Å²	131	55.4 Å²	55.4	57%	0.57	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	129.4	178.4	-172.8	179	-178.9	172.2	0	110.8	D56 N77 T82	D56-K80 HydrophobicContact CB-CG 4.07Å; D56-K80 VanDerWaalsContact OD2-CG 3.32Å; D56-K80 WeakPolarHBondContact OD2-CG 3.48Å; N77-K80 VanDerWaalsContact O-CB 3.28Å; N77-K80 WeakPolarHBondContact O-CB 3.32Å; N77-K80 PolarHBondContact O-N 3.44Å; K80-T82 VanDerWaalsContact C-N 3.33Å
81	G	97.4	Very high	95.8	Very high	64 Å²	64	52.6 Å²	52.6	66%	0.66	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.9	-7.8	-175.8	0	0	0	0	0	114.4	D56 L79	D56-G81 PolarHBondContact OD1-N 2.96Å; D56-G81 PolarHBondContact OD2-N 3.08Å; L79-G81 PolarHBondContact O-N 2.83Å
82	T	96.6	Very high	95.8	Very high	48 Å²	48	52 Å²	52	29%	0.294	28%	0.277	S	S	.	.			trans	-71.6	135	170.8	-57.2	0	0	0	0	110	Q51 L79 K80 D86 A87	Q51-T82 PolarHBondContact NE2-O 3.33Å; L79-T82 WeakPolarHBondContact O-CB 3.21Å; L79-T82 PolarHBondContact O-N 2.96Å; L79-T82 PolarHBondContact O-OG1 3.39Å; L79-T82 VanDerWaalsContact O-OG1 3.1Å; K80-T82 VanDerWaalsContact C-N 3.33Å; T82-D86 HydrophobicContact CG2-CB 3.86Å; T82-A87 HydrophobicContact CG2-CB 4.34Å
83	S	95.7	Very high	96	Very high	49 Å²	49	55.9 Å²	55.9	34%	0.343	30%	0.298	S	S	.	.			trans	-66	155	177.9	80.5	0	0	0	0	111.3	E85 D86 A87	S83-E85 VanDerWaalsContact C-N 3.25Å; S83-E85 PolarHBondContact O-N 3.45Å; S83-D86 PolarHBondContact O-N 3.21Å; S83-D86 WeakPolarHBondContact OG-CB 3.25Å; S83-D86 PolarHBondContact OG-N 2.95Å; S83-D86 PolarHBondContact OG-OD2 2.87Å; S83-A87 WeakPolarHBondContact O-CB 3.3Å; S83-A87 PolarHBondContact O-N 3.33Å
84	K	93.1	Very high	96	Very high	106 Å²	106	55.8 Å²	55.8	46%	0.461	30%	0.299	S	S	.	.	H	α-helix	trans	-58.1	-41.5	174.9	-70.9	-171	172.4	-161.7	0	111.7	A52 T53 A87 M88	A52-K84 WeakPolarHBondContact O-CD 3.31Å; A52-K84 WeakPolarHBondContact O-CG 3.24Å; T53-K84 PolarHBondContact O-NZ 2.87Å; K84-A87 PolarHBondContact O-N 2.92Å; K84-M88 HydrophobicContact CB-CE 4.49Å; K84-M88 VanDerWaalsContact O-CG 3.25Å; K84-M88 WeakPolarHBondContact O-CG 3.41Å; K84-M88 PolarHBondContact O-N 3.28Å
85	E	92.1	Very high	95.9	Very high	98 Å²	98	53.8 Å²	53.8	46%	0.458	29%	0.288	S	S	.	.	H	α-helix	trans	-64.1	-44.3	-179.6	-169.3	-174.4	159.2	0	0	111.8	S83 A87 M88 K89	S83-E85 VanDerWaalsContact C-N 3.25Å; S83-E85 PolarHBondContact O-N 3.45Å; E85-A87 VanDerWaalsContact C-N 3.35Å; E85-M88 PolarHBondContact O-N 2.96Å; E85-K89 WeakPolarHBondContact O-CG 3.42Å; E85-K89 PolarHBondContact O-N 2.79Å; E85-K89 VanDerWaalsContact OE1-CE 3.27Å; E85-K89 WeakPolarHBondContact OE1-CE 3.23Å; E85-K89 IonicContact OE1-NZ 3.25Å; E85-K89 PolarHBondContact OE1-NZ 3.28Å
86	D	95.3	Very high	95.9	Very high	87 Å²	87	56.2 Å²	56.2	47%	0.465	30%	0.297	S	S	.	.	H	α-helix	trans	-67	-38.8	177.7	-63.5	-40	0	0	0	111.5	T82 S83 K89 A90	T82-D86 HydrophobicContact CG2-CB 3.86Å; S83-D86 PolarHBondContact O-N 3.21Å; S83-D86 WeakPolarHBondContact OG-CB 3.25Å; S83-D86 PolarHBondContact OG-N 2.95Å; S83-D86 PolarHBondContact OG-OD2 2.87Å; D86-K89 PolarHBondContact O-N 2.81Å; D86-A90 WeakPolarHBondContact O-CB 3.39Å; D86-A90 PolarHBondContact O-N 3.4Å
87	A	95.4	Very high	95.9	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-62.9	-42.1	175	0	0	0	0	0	111.9	Q51 A52 T82 S83 K84 E85 Y91	Q51-A87 HydrophobicContact CB-CB 3.84Å; Q51-A87 HydrophobicContact CG-CB 3.83Å; A52-A87 HydrophobicContact CB-CB 4.06Å; T82-A87 HydrophobicContact CG2-CB 4.34Å; S83-A87 WeakPolarHBondContact O-CB 3.3Å; S83-A87 PolarHBondContact O-N 3.33Å; K84-A87 PolarHBondContact O-N 2.92Å; E85-A87 VanDerWaalsContact C-N 3.35Å; A87-Y91 VanDerWaalsContact O-CB 3.32Å; A87-Y91 WeakPolarHBondContact O-CB 3.4Å; A87-Y91 PolarHBondContact O-N 3.47Å
88	M	93.6	Very high	95.7	Very high	16 Å²	16	58 Å²	58	8%	0.079	30%	0.303	C	S	.	.	H	α-helix	trans	-61.9	-47.8	174.2	-71.9	174.1	-171.1	0	0	111.6	T19 E20 F23 A52 K84 E85 A90 Y91 I92	T19-M88 HydrophobicContact CG2-CB 3.87Å; T19-M88 HydrophobicContact CG2-SD 4.4Å; E20-M88 HydrophobicContact CG-CE 3.94Å; E20-M88 HydrophobicContact CG-SD 3.87Å; F23-M88 HydrophobicContact CB-CB 4.15Å; F23-M88 HydrophobicContact CB-CG 4.03Å; F23-M88 HydrophobicContact CB-SD 4.36Å; F23-M88 HydrophobicContact CD1-CG 4.25Å; F23-M88 HydrophobicContact CD2-CB 3.97Å; F23-M88 HydrophobicContact CD2-CG 3.8Å; F23-M88 HydrophobicContact CE2-CG 4.28Å; F23-M88 HydrophobicContact CG-CB 4.19Å; F23-M88 HydrophobicContact CG-CG 3.76Å; F23-M88 HydrophobicContact CG-SD 4.48Å; A52-M88 HydrophobicContact CB-CE 4.37Å; A52-M88 HydrophobicContact CB-CG 3.6Å; K84-M88 HydrophobicContact CB-CE 4.49Å; K84-M88 VanDerWaalsContact O-CG 3.25Å; K84-M88 WeakPolarHBondContact O-CG 3.41Å; K84-M88 PolarHBondContact O-N 3.28Å; E85-M88 PolarHBondContact O-N 2.96Å; M88-A90 PolarHBondContact O-N 3.37Å; M88-Y91 WeakPolarHBondContact O-CB 3.42Å; M88-Y91 PolarHBondContact O-N 2.84Å; M88-I92 WeakPolarHBondContact O-CD1 3.32Å; M88-I92 VanDerWaalsContact O-CG1 3.24Å; M88-I92 WeakPolarHBondContact O-CG1 3.48Å; M88-I92 PolarHBondContact O-N 3.48Å
89	K	95.4	Very high	95.6	Very high	82 Å²	82	52.2 Å²	52.2	36%	0.357	28%	0.276	S	S	.	.	H	α-helix	trans	-59.4	-46.6	178.8	-73.8	171.4	-175.6	164.1	0	111.9	T19 E85 D86 Y91 I92 N93	T19-K89 HydrophobicContact CG2-CG 4.09Å; E85-K89 WeakPolarHBondContact O-CG 3.42Å; E85-K89 PolarHBondContact O-N 2.79Å; E85-K89 VanDerWaalsContact OE1-CE 3.27Å; E85-K89 WeakPolarHBondContact OE1-CE 3.23Å; E85-K89 IonicContact OE1-NZ 3.25Å; E85-K89 PolarHBondContact OE1-NZ 3.28Å; D86-K89 PolarHBondContact O-N 2.81Å; K89-Y91 VanDerWaalsContact C-N 3.32Å; K89-Y91 PolarHBondContact O-N 3.46Å; K89-I92 PolarHBondContact O-N 2.74Å; K89-N93 WeakPolarHBondContact O-CB 3.46Å; K89-N93 PolarHBondContact O-N 2.83Å; K89-N93 PolarHBondContact O-ND2 3.18Å
90	A	96.7	Very high	95.4	Very high	27 Å²	27	59.4 Å²	59.4	22%	0.223	31%	0.306	C	S	.	.	H	α-helix	trans	-63.4	-39.5	177.6	0	0	0	0	0	111.9	F44 H48 D86 M88 K94	F44-A90 HydrophobicContact CZ-CB 4.33Å; H48-A90 WeakPolarHBondContact CD2-CB 3.3Å; D86-A90 WeakPolarHBondContact O-CB 3.39Å; D86-A90 PolarHBondContact O-N 3.4Å; M88-A90 PolarHBondContact O-N 3.37Å; A90-K94 WeakPolarHBondContact O-CB 3.38Å; A90-K94 PolarHBondContact O-N 2.83Å
91	Y	95.3	Very high	95.4	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-60.8	-52.9	173.5	-176.4	-86.7	0	0	0	112.2	F23 A26 A27 V30 I45 H48 Y49 A87 M88 K89 N93 K94 V95	F23-Y91 AromaticContact CD2-CD1 3.51Å; F23-Y91 HydrophobicContact CD2-CD1 3.51Å; F23-Y91 HydrophobicContact CD2-CE1 4.14Å; F23-Y91 AromaticContact CD2-CG 3.9Å; F23-Y91 HydrophobicContact CD2-CG 3.9Å; F23-Y91 AromaticContact CE2-CD1 3.45Å; F23-Y91 HydrophobicContact CE2-CD1 3.45Å; F23-Y91 VanDerWaalsContact CE2-CD1 3.45Å; F23-Y91 HydrophobicContact CE2-CD2 4.01Å; F23-Y91 AromaticContact CE2-CE1 3.92Å; F23-Y91 HydrophobicContact CE2-CE1 3.92Å; F23-Y91 HydrophobicContact CE2-CE2 4.41Å; F23-Y91 AromaticContact CE2-CG 3.49Å; F23-Y91 HydrophobicContact CE2-CG 3.49Å; F23-Y91 VanDerWaalsContact CE2-CG 3.49Å; A26-Y91 HydrophobicContact CB-CD1 4.23Å; A26-Y91 HydrophobicContact CB-CE1 4.08Å; A27-Y91 WeakPolarHBondContact CA-OH 3.44Å; A27-Y91 HydrophobicContact CB-CE1 4.16Å; V30-Y91 WeakPolarHBondContact CG1-OH 3.27Å; I45-Y91 HydrophobicContact CB-CE2 4.21Å; I45-Y91 HydrophobicContact CG2-CD2 4.27Å; I45-Y91 HydrophobicContact CG2-CE2 3.39Å; I45-Y91 WeakPolarHBondContact O-CD2 3.36Å; I45-Y91 WeakPolarHBondContact O-CE2 3.38Å; H48-Y91 HydrophobicContact CB-CD2 4.22Å; Y49-Y91 HydrophobicContact CD2-CE2 4.26Å; Y49-Y91 HydrophobicContact CG-CE2 4.46Å; A87-Y91 VanDerWaalsContact O-CB 3.32Å; A87-Y91 WeakPolarHBondContact O-CB 3.4Å; A87-Y91 PolarHBondContact O-N 3.47Å; M88-Y91 WeakPolarHBondContact O-CB 3.42Å; M88-Y91 PolarHBondContact O-N 2.84Å; K89-Y91 VanDerWaalsContact C-N 3.32Å; K89-Y91 PolarHBondContact O-N 3.46Å; Y91-N93 VanDerWaalsContact C-N 3.33Å; Y91-N93 PolarHBondContact O-N 2.95Å; Y91-K94 PolarHBondContact O-N 3.18Å; Y91-K94 VanDerWaalsContact O-N 3.08Å; Y91-V95 HydrophobicContact CD1-CG2 3.91Å; Y91-V95 HydrophobicContact CE1-CG2 3.58Å; Y91-V95 WeakPolarHBondContact O-CG2 3.28Å; Y91-V95 PolarHBondContact O-N 3.34Å
92	I	94.9	Very high	95.2	Very high	20 Å²	20	58.1 Å²	58.1	10%	0.103	28%	0.282	C	S	.	.	H	α-helix	trans	-56	-49.6	180	-67.7	158.1	0	0	0	110.2	T19 E22 F23 A26 M88 K89 K94 V95 E96	T19-I92 HydrophobicContact CG2-CD1 4.17Å; E22-I92 HydrophobicContact CB-CD1 3.72Å; E22-I92 HydrophobicContact CB-CG1 4.44Å; F23-I92 HydrophobicContact CB-CD1 4.07Å; F23-I92 HydrophobicContact CB-CG1 4.24Å; A26-I92 HydrophobicContact CB-CG1 4.07Å; M88-I92 WeakPolarHBondContact O-CD1 3.32Å; M88-I92 VanDerWaalsContact O-CG1 3.24Å; M88-I92 WeakPolarHBondContact O-CG1 3.48Å; M88-I92 PolarHBondContact O-N 3.48Å; K89-I92 PolarHBondContact O-N 2.74Å; I92-K94 VanDerWaalsContact C-N 3.26Å; I92-K94 PolarHBondContact O-N 3.5Å; I92-V95 PolarHBondContact O-N 2.99Å; I92-V95 VanDerWaalsContact O-N 3.15Å; I92-E96 PolarHBondContact O-N 3Å
93	N	96.7	Very high	94.8	Very high	102 Å²	102	57 Å²	57	55%	0.545	28%	0.279	S	S	.	.	H	α-helix	trans	-56.7	-43	178	-72.6	-21.7	0	0	0	111.4	K89 Y91 E96 E97	K89-N93 WeakPolarHBondContact O-CB 3.46Å; K89-N93 PolarHBondContact O-N 2.83Å; K89-N93 PolarHBondContact O-ND2 3.18Å; Y91-N93 VanDerWaalsContact C-N 3.33Å; Y91-N93 PolarHBondContact O-N 2.95Å; N93-E96 PolarHBondContact O-N 3.35Å; N93-E97 PolarHBondContact O-N 3.36Å; N93-E97 VanDerWaalsContact O-N 3.12Å
94	K	96.5	Very high	94.1	Very high	37 Å²	37	59.1 Å²	59.1	16%	0.161	29%	0.285	C	S	.	.	H	α-helix	trans	-65.8	-42.3	178.3	-169.8	67	-176.5	167.9	0	112.3	F44 I45 A90 Y91 I92 E96 E97 L98	F44-K94 HydrophobicContact CD1-CB 3.73Å; F44-K94 HydrophobicContact CD1-CD 4.04Å; F44-K94 HydrophobicContact CD1-CG 3.5Å; F44-K94 VanDerWaalsContact CD1-CG 3.5Å; F44-K94 HydrophobicContact CE1-CB 3.44Å; F44-K94 VanDerWaalsContact CE1-CB 3.44Å; F44-K94 HydrophobicContact CE1-CD 4.16Å; F44-K94 HydrophobicContact CE1-CG 3.73Å; F44-K94 HydrophobicContact CG-CD 4.44Å; F44-K94 HydrophobicContact CG-CG 4.28Å; F44-K94 HydrophobicContact CZ-CB 4.34Å; I45-K94 HydrophobicContact CG1-CG 4.42Å; A90-K94 WeakPolarHBondContact O-CB 3.38Å; A90-K94 PolarHBondContact O-N 2.83Å; Y91-K94 PolarHBondContact O-N 3.18Å; Y91-K94 VanDerWaalsContact O-N 3.08Å; I92-K94 VanDerWaalsContact C-N 3.26Å; I92-K94 PolarHBondContact O-N 3.5Å; K94-E96 VanDerWaalsContact C-N 3.31Å; K94-E96 PolarHBondContact O-N 2.84Å; K94-E97 WeakPolarHBondContact CD-OE2 3.42Å; K94-E97 IonicContact NZ-OE2 3.28Å; K94-E97 PolarHBondContact NZ-OE2 2.96Å; K94-E97 WeakPolarHBondContact O-CB 3.48Å; K94-E97 PolarHBondContact O-N 3.11Å; K94-L98 HydrophobicContact CG-CD1 4.06Å; K94-L98 HydrophobicContact CG-CG 4.39Å; K94-L98 WeakPolarHBondContact O-CG 3.43Å; K94-L98 PolarHBondContact O-N 2.75Å
95	V	94.2	Very high	94.1	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-60.9	-41.7	177	174.1	0	0	0	0	111.1	A26 E29 V30 Y91 I92 E97 L98 K99	A26-V95 HydrophobicContact CB-CB 4.04Å; A26-V95 HydrophobicContact CB-CG1 4.08Å; A26-V95 HydrophobicContact CB-CG2 4.14Å; A26-V95 WeakPolarHBondContact O-CG1 3.37Å; E29-V95 HydrophobicContact CB-CG1 4.43Å; V30-V95 HydrophobicContact CB-CB 4.43Å; V30-V95 HydrophobicContact CB-CG1 3.9Å; V30-V95 HydrophobicContact CB-CG2 3.7Å; V30-V95 HydrophobicContact CG1-CG2 4.48Å; V30-V95 HydrophobicContact CG2-CG1 4.44Å; V30-V95 HydrophobicContact CG2-CG2 3.85Å; Y91-V95 HydrophobicContact CD1-CG2 3.91Å; Y91-V95 HydrophobicContact CE1-CG2 3.58Å; Y91-V95 WeakPolarHBondContact O-CG2 3.28Å; Y91-V95 PolarHBondContact O-N 3.34Å; I92-V95 PolarHBondContact O-N 2.99Å; I92-V95 VanDerWaalsContact O-N 3.15Å; V95-E97 VanDerWaalsContact C-N 3.35Å; V95-E97 PolarHBondContact O-N 2.96Å; V95-L98 PolarHBondContact O-N 2.93Å; V95-L98 VanDerWaalsContact O-N 3.14Å; V95-K99 HydrophobicContact CG1-CD 3.89Å; V95-K99 HydrophobicContact CG1-CG 4.25Å; V95-K99 VanDerWaalsContact O-CG 3.3Å; V95-K99 WeakPolarHBondContact O-CG 3.15Å; V95-K99 PolarHBondContact O-N 3.1Å
96	E	95.8	Very high	94.2	Very high	66 Å²	66	54.6 Å²	54.6	31%	0.308	27%	0.267	S	S	.	.	H	α-helix	trans	-62.3	-38.6	175.6	-71.7	-57.6	145.4	0	0	113.1	I92 N93 K94 K99 K100	I92-E96 PolarHBondContact O-N 3Å; N93-E96 PolarHBondContact O-N 3.35Å; K94-E96 VanDerWaalsContact C-N 3.31Å; K94-E96 PolarHBondContact O-N 2.84Å; E96-K99 VanDerWaalsContact CD-NZ 3.33Å; E96-K99 IonicContact OE1-NZ 2.87Å; E96-K99 PolarHBondContact OE1-NZ 2.65Å; E96-K99 IonicContact OE2-NZ 3.96Å; E96-K99 PolarHBondContact OE2-NZ 2.85Å; E96-K100 WeakPolarHBondContact O-CG 3.33Å; E96-K100 PolarHBondContact O-N 3.37Å
97	E	96.9	Very high	94.2	Very high	103 Å²	103	52.8 Å²	52.8	48%	0.481	26%	0.256	S	S	.	.	H	α-helix	trans	-60.9	-45.5	171.1	-69.5	175.2	-174.7	0	0	111.7	N93 K94 V95 K100 K101	N93-E97 PolarHBondContact O-N 3.36Å; N93-E97 VanDerWaalsContact O-N 3.12Å; K94-E97 WeakPolarHBondContact CD-OE2 3.42Å; K94-E97 IonicContact NZ-OE2 3.28Å; K94-E97 PolarHBondContact NZ-OE2 2.96Å; K94-E97 WeakPolarHBondContact O-CB 3.48Å; K94-E97 PolarHBondContact O-N 3.11Å; V95-E97 VanDerWaalsContact C-N 3.35Å; V95-E97 PolarHBondContact O-N 2.96Å; E97-K100 PolarHBondContact O-N 3.37Å; E97-K101 WeakPolarHBondContact O-CB 3.19Å; E97-K101 PolarHBondContact O-N 2.84Å
98	L	95.1	Very high	94.1	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-68.2	-37.4	-177.3	-65.2	171.6	0	0	0	112	V30 L33 P37 E41 I45 K94 V95 K100 K101 Y102	V30-L98 HydrophobicContact CG2-CD1 4.35Å; L33-L98 HydrophobicContact CD1-CB 3.9Å; L33-L98 HydrophobicContact CD2-CB 4.5Å; P37-L98 HydrophobicContact CB-CD2 4.2Å; P37-L98 HydrophobicContact CG-CD1 4.4Å; P37-L98 HydrophobicContact CG-CD2 4.39Å; E41-L98 HydrophobicContact CB-CD2 4.01Å; E41-L98 VanDerWaalsContact CD-CD2 3.47Å; E41-L98 HydrophobicContact CG-CD2 3.91Å; I45-L98 HydrophobicContact CD1-CD1 3.2Å; I45-L98 HydrophobicContact CG1-CD1 3.99Å; K94-L98 HydrophobicContact CG-CD1 4.06Å; K94-L98 HydrophobicContact CG-CG 4.39Å; K94-L98 WeakPolarHBondContact O-CG 3.43Å; K94-L98 PolarHBondContact O-N 2.75Å; V95-L98 PolarHBondContact O-N 2.93Å; V95-L98 VanDerWaalsContact O-N 3.14Å; L98-K100 VanDerWaalsContact C-N 3.33Å; L98-K100 PolarHBondContact O-N 3.25Å; L98-K101 PolarHBondContact O-N 2.79Å; L98-Y102 HydrophobicContact CB-CD2 4.24Å; L98-Y102 HydrophobicContact CD2-CD2 3.88Å; L98-Y102 HydrophobicContact CD2-CE2 3.51Å; L98-Y102 WeakPolarHBondContact O-CB 3.4Å; L98-Y102 PolarHBondContact O-N 2.81Å
99	K	94.5	Very high	94.1	Very high	36 Å²	36	58.4 Å²	58.4	16%	0.157	28%	0.283	C	S	.	.	H	α-helix	trans	-58.5	-44.5	172.1	-74.4	165.6	60.4	-177.2	0	111.3	E29 L33 V95 E96 G103	E29-K99 HydrophobicContact CB-CD 4.19Å; E29-K99 VanDerWaalsContact CD-NZ 3.33Å; E29-K99 IonicContact OE1-NZ 3.65Å; E29-K99 PolarHBondContact OE1-NZ 3.04Å; E29-K99 WeakPolarHBondContact OE2-CE 3.37Å; E29-K99 IonicContact OE2-NZ 3.73Å; E29-K99 PolarHBondContact OE2-NZ 2.88Å; L33-K99 HydrophobicContact CD2-CB 4.46Å; L33-K99 HydrophobicContact CD2-CG 4Å; V95-K99 HydrophobicContact CG1-CD 3.89Å; V95-K99 HydrophobicContact CG1-CG 4.25Å; V95-K99 VanDerWaalsContact O-CG 3.3Å; V95-K99 WeakPolarHBondContact O-CG 3.15Å; V95-K99 PolarHBondContact O-N 3.1Å; E96-K99 VanDerWaalsContact CD-NZ 3.33Å; E96-K99 IonicContact OE1-NZ 2.87Å; E96-K99 PolarHBondContact OE1-NZ 2.65Å; E96-K99 IonicContact OE2-NZ 3.96Å; E96-K99 PolarHBondContact OE2-NZ 2.85Å; K99-G103 WeakPolarHBondContact O-CA 3.42Å; K99-G103 PolarHBondContact O-N 2.97Å
100	K	95.7	Very high	94	Very high	175 Å²	175	56.8 Å²	56.8	76%	0.761	28%	0.278	S	S	*	.	H	α-helix	trans	-66.5	-37.7	176.4	-68.8	169.3	-174.2	171.7	0	112.1	E96 E97 L98	E96-K100 WeakPolarHBondContact O-CG 3.33Å; E96-K100 PolarHBondContact O-N 3.37Å; E97-K100 PolarHBondContact O-N 3.37Å; L98-K100 VanDerWaalsContact C-N 3.33Å; L98-K100 PolarHBondContact O-N 3.25Å
101	K	96.1	Very high	93.9	Very high	125 Å²	125	58.9 Å²	58.9	54%	0.543	28%	0.282	S	S	.	.	H	α-helix	trans	-77.2	-43.8	-175.7	-176.2	175.1	176	-175.5	0	113.4	E41 E97 L98	E41-K101 IonicContact OE1-NZ 2.69Å; E41-K101 PolarHBondContact OE1-NZ 3.27Å; E41-K101 IonicContact OE2-NZ 3.82Å; E97-K101 WeakPolarHBondContact O-CB 3.19Å; E97-K101 PolarHBondContact O-N 2.84Å; L98-K101 PolarHBondContact O-N 2.79Å
102	Y	93.2	Very high	93.7	Very high	44 Å²	44	63.5 Å²	63.5	17%	0.173	30%	0.304	C	S	.	.	H	α-helix	trans	-108.9	-14.5	-171.3	-62.6	-61	0	0	0	113.6	T35 P37 E41 L98	T35-Y102 HydrophobicContact CG2-CD1 4.01Å; T35-Y102 HydrophobicContact CG2-CE1 4.37Å; P37-Y102 HydrophobicContact CB-CD2 4.48Å; P37-Y102 HydrophobicContact CB-CE2 3.91Å; P37-Y102 HydrophobicContact CG-CD2 4.26Å; P37-Y102 HydrophobicContact CG-CE2 4.18Å; E41-Y102 PolarHBondContact OE1-OH 3.19Å; E41-Y102 VanDerWaalsContact OE2-CE2 3.24Å; E41-Y102 WeakPolarHBondContact OE2-CE2 3.27Å; E41-Y102 VanDerWaalsContact OE2-CZ 3.31Å; E41-Y102 PolarHBondContact OE2-OH 3.3Å; L98-Y102 HydrophobicContact CB-CD2 4.24Å; L98-Y102 HydrophobicContact CD2-CD2 3.88Å; L98-Y102 HydrophobicContact CD2-CE2 3.51Å; L98-Y102 WeakPolarHBondContact O-CB 3.4Å; L98-Y102 PolarHBondContact O-N 2.81Å
103	G	89.3	Confident	93.7	Very high	23 Å²	23	67.1 Å²	67.1	24%	0.237	32%	0.321	C	S	.	.			trans	74.2	147.6	-174.4	0	0	0	0	0	112.3	L33 K34 K99	L33-G103 CarbonylContact C-O 3.57Å; L33-G103 VanDerWaalsContact CA-O 3.27Å; L33-G103 WeakPolarHBondContact CA-O 3.31Å; K34-G103 PolarHBondContact N-O 2.67Å; K99-G103 WeakPolarHBondContact O-CA 3.42Å; K99-G103 PolarHBondContact O-N 2.97Å
104	I	80	Confident	93.4	Very high	94 Å²	94	63.9 Å²	63.9	48%	0.482	30%	0.3	S	S	.	.			trans	-109.3	0	164.1	-160.9	170	0	0	0	108.2	E29 H32 K34	E29-I104 HydrophobicContact CB-CD1 3.72Å; E29-I104 HydrophobicContact CG-CD1 3.91Å; E29-I104 WeakPolarHBondContact O-CD1 3.28Å; H32-I104 HydrophobicContact CB-CD1 3.94Å; H32-I104 HydrophobicContact CB-CG1 3.62Å; K34-I104 WeakPolarHBondContact CE-OXT 3.32Å; K34-I104 PolarHBondContact NZ-O 3.48Å

Retrieved 104 of 104 residues in 316.3 ms (Link to these results)

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