A0A087WS96_MOUSE Loading...

SH3 domain-binding glutamic acid-rich-like protein

AlphaFold DB , UniProt , Accession A0A087WS96, Species MOUSE (Mus musculus, Mouse), Gene Sh3bgrl2, Length 120 aa.

						>A0A087WS96_MOUSE|A0A087WS96|Sh3bgrl2
MVVRVFVASCSGFVAIKKKQQDVVRFLEANKIEFEEVDITMSEEQRQWMYKNIPPEKKPAQGNPLPPQIFNGDRYCGDYDSFFESKESNTVFSFLGLKPRPASTGLHLKGQLTQSKAAGP
					

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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	71.8	Confident	93.1	Very high	200 Å²	200	42.9 Å²	42.9	99%	0.985	25%	0.246	S	C	*	.				0	147.9	0	-60	-169	-169.2	0	0	107.9	N71	M1-N71 WeakPolarHBondContact CB-OD1 3.38Å
2	V	92.2	Very high	92.9	Very high	61 Å²	61	45.7 Å²	45.7	37%	0.37	29%	0.291	S	S	.	.			trans	-121.6	141	-174.7	63.6	0	0	0	0	110.1	R4 N71 G72	V2-R4 HydrophobicContact CG1-CG 4.34Å; V2-N71 PolarHBondContact O-OD1 2.85Å; V2-G72 PolarHBondContact O-N 3.23Å
3	V	97.9	Very high	93	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.012	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	131.8	174	175.5	0	0	0	0	108.7	V5 L27 I32 F34 E35 I69 F70 L95 L97	V3-V5 HydrophobicContact CG1-CG2 4.31Å; V3-L27 HydrophobicContact CG1-CD1 4.13Å; V3-I32 HydrophobicContact CG2-CG2 4.26Å; V3-F34 HydrophobicContact CB-CB 3.86Å; V3-F34 HydrophobicContact CG1-CB 4.02Å; V3-F34 CarbonylContact O-C 3.44Å; V3-F34 WeakPolarHBondContact O-CA 3.37Å; V3-F34 WeakPolarHBondContact O-CB 3.35Å; V3-E35 PolarHBondContact O-N 2.81Å; V3-I69 HydrophobicContact CG1-CG2 4.03Å; V3-F70 CarbonylContact C-O 3.59Å; V3-F70 WeakPolarHBondContact CA-O 3.41Å; V3-L95 HydrophobicContact CG1-CD2 4.03Å; V3-L95 HydrophobicContact CG2-CB 4.35Å; V3-L95 HydrophobicContact CG2-CD1 4.43Å; V3-L95 HydrophobicContact CG2-CD2 4.31Å; V3-L97 HydrophobicContact CG2-CD1 4.19Å; V3-L97 HydrophobicContact CG2-CD2 4.45Å
4	R	98.4	Very high	93.2	Very high	32 Å²	32	56.4 Å²	56.4	12%	0.121	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	124.1	176.9	-60.4	175.2	72	-151.7	-3.1	108.4	V2 F6 E35 V37 I69 F70	V2-R4 HydrophobicContact CG1-CG 4.34Å; R4-F6 HydrophobicContact CB-CD2 4.49Å; R4-F6 HydrophobicContact CB-CE2 4.01Å; R4-E35 WeakPolarHBondContact CA-O 3.4Å; R4-E35 IonicContact NE-OE2 3.95Å; R4-V37 HydrophobicContact CB-CG2 4.33Å; R4-I69 WeakPolarHBondContact O-CA 3.47Å; R4-F70 HydrophobicContact CB-CB 4.38Å; R4-F70 PolarHBondContact N-O 2.85Å; R4-F70 PolarHBondContact O-N 3.33Å
5	V	98.5	Very high	93.4	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	107.5	176.8	-172.4	0	0	0	0	107.9	V3 V7 V23 L27 F34 E35 E36 V37 P67 I69	V3-V5 HydrophobicContact CG1-CG2 4.31Å; V5-V7 HydrophobicContact CG1-CG1 3.91Å; V5-V7 PolarHBondContact O-N 3.34Å; V5-V23 HydrophobicContact CG1-CG1 3.89Å; V5-V23 HydrophobicContact CG2-CG1 4.07Å; V5-L27 HydrophobicContact CG2-CD1 3.47Å; V5-L27 VanDerWaalsContact CG2-CD1 3.47Å; V5-F34 HydrophobicContact CG2-CD2 3.96Å; V5-E35 PolarHBondContact N-O 3.3Å; V5-E36 WeakPolarHBondContact O-CA 3.41Å; V5-V37 PolarHBondContact O-N 3.22Å; V5-P67 HydrophobicContact CG1-CB 4.22Å; V5-I69 HydrophobicContact CG1-CG1 4.48Å
6	F	98.4	Very high	93.6	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	122.3	176.1	-71.8	-105.8	0	0	0	109.1	R4 V37 I39 Q45 W48 M49 P66 P67 Q68 F70	R4-F6 HydrophobicContact CB-CD2 4.49Å; R4-F6 HydrophobicContact CB-CE2 4.01Å; F6-V37 WeakPolarHBondContact CA-O 3.35Å; F6-V37 HydrophobicContact CD1-CB 3.94Å; F6-V37 HydrophobicContact CD1-CG1 3.81Å; F6-V37 HydrophobicContact CE1-CB 4.04Å; F6-V37 HydrophobicContact CE1-CG1 3.61Å; F6-V37 HydrophobicContact CE2-CG2 4.5Å; F6-V37 HydrophobicContact CG-CB 4.19Å; F6-V37 HydrophobicContact CZ-CB 4.35Å; F6-V37 HydrophobicContact CZ-CG1 4.18Å; F6-V37 HydrophobicContact CZ-CG2 4.4Å; F6-I39 HydrophobicContact CB-CG2 4.15Å; F6-I39 HydrophobicContact CD1-CG2 3.6Å; F6-I39 HydrophobicContact CG-CG2 4.38Å; F6-Q45 HydrophobicContact CE1-CB 4.31Å; F6-W48 AromaticContact CE1-CE3 3.87Å; F6-W48 HydrophobicContact CE1-CE3 3.87Å; F6-W48 HydrophobicContact CE1-CZ3 4.27Å; F6-W48 HydrophobicContact CE2-CE3 4.12Å; F6-W48 AromaticContact CE2-CZ3 3.66Å; F6-W48 HydrophobicContact CE2-CZ3 3.66Å; F6-W48 HydrophobicContact CZ-CD2 4.45Å; F6-W48 AromaticContact CZ-CE3 3.32Å; F6-W48 HydrophobicContact CZ-CE3 3.32Å; F6-W48 HydrophobicContact CZ-CH2 4.41Å; F6-W48 AromaticContact CZ-CZ3 3.31Å; F6-W48 HydrophobicContact CZ-CZ3 3.31Å; F6-M49 HydrophobicContact CB-CG 4.15Å; F6-M49 HydrophobicContact CB-SD 3.43Å; F6-M49 WeakPolarHBondContact CB-SD 3.46Å; F6-M49 HydrophobicContact CD1-CB 3.72Å; F6-M49 HydrophobicContact CD1-CG 3.92Å; F6-M49 HydrophobicContact CD1-SD 4Å; F6-M49 HydrophobicContact CE1-CB 3.93Å; F6-M49 HydrophobicContact CE1-CG 4.48Å; F6-M49 HydrophobicContact CG-CB 4.25Å; F6-M49 HydrophobicContact CG-CG 3.94Å; F6-M49 HydrophobicContact CG-SD 3.88Å; F6-P66 WeakPolarHBondContact O-CB 3.5Å; F6-P67 VanDerWaalsContact O-CA 3.28Å; F6-P67 WeakPolarHBondContact O-CA 3.39Å; F6-Q68 HydrophobicContact CB-CB 4.21Å; F6-Q68 PolarHBondContact N-O 3.46Å; F6-Q68 PolarHBondContact O-N 2.84Å; F6-Q68 VanDerWaalsContact O-N 3.15Å; F6-F70 AromaticContact CD2-CD2 3.66Å; F6-F70 HydrophobicContact CD2-CD2 3.66Å; F6-F70 HydrophobicContact CD2-CE2 4.02Å; F6-F70 AromaticContact CE2-CD2 3.62Å; F6-F70 HydrophobicContact CE2-CD2 3.62Å; F6-F70 HydrophobicContact CE2-CE2 4.09Å; F6-F70 HydrophobicContact CE2-CG 4.26Å
7	V	98.3	Very high	93.8	Very high	7 Å²	7	57.2 Å²	57.2	4%	0.042	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	159.3	-175.4	-61.4	0	0	0	0	110.4	V5 Q20 E36 V37 D38 I39	V5-V7 HydrophobicContact CG1-CG1 3.91Å; V5-V7 PolarHBondContact O-N 3.34Å; V7-Q20 HydrophobicContact CB-CG 4.2Å; V7-Q20 HydrophobicContact CG1-CB 4.15Å; V7-Q20 HydrophobicContact CG1-CG 4.04Å; V7-E36 HydrophobicContact CG2-CB 4.48Å; V7-V37 PolarHBondContact N-O 3.06Å; V7-D38 HydrophobicContact CG2-CB 4.26Å; V7-D38 WeakPolarHBondContact O-CA 3.11Å; V7-I39 WeakPolarHBondContact O-CG1 3.41Å; V7-I39 PolarHBondContact O-N 2.91Å
8	A	96.9	Very high	94	Very high	9 Å²	9	62.2 Å²	62.2	7%	0.074	36%	0.357	C	S	.	.			trans	-117	101.1	165.4	0	0	0	0	0	109.4	C10 S11 Q20 I39 T40 P66	A8-C10 VanDerWaalsContact C-N 3.34Å; A8-C10 PolarHBondContact O-N 3.15Å; A8-S11 PolarHBondContact O-N 2.91Å; A8-Q20 PolarHBondContact O-NE2 3.42Å; A8-Q20 VanDerWaalsContact O-NE2 3.14Å; A8-Q20 PolarHBondContact O-OE1 2.89Å; A8-I39 HydrophobicContact CB-CG1 4.25Å; A8-T40 HydrophobicContact CB-CG2 3.55Å; A8-P66 HydrophobicContact CB-CG 3.54Å
9	S	92.7	Very high	94.3	Very high	60 Å²	60	62.5 Å²	62.5	42%	0.42	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-38.6	-177.6	70.2	0	0	0	0	111.9	S11 D38 T40	S9-S11 VanDerWaalsContact C-N 3.3Å; S9-S11 PolarHBondContact O-N 3.41Å; S9-D38 WeakPolarHBondContact CB-OD2 3.44Å; S9-D38 PolarHBondContact N-OD1 2.94Å; S9-D38 PolarHBondContact OG-OD2 3.06Å; S9-T40 PolarHBondContact OG-OG1 3.27Å
10	C	90.1	Very high	94.5	Very high	86 Å²	86	60.1 Å²	60.1	58%	0.581	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	20.1	179	-63.2	0	0	0	0	114.7	A8 G12 T40 M41	A8-C10 VanDerWaalsContact C-N 3.34Å; A8-C10 PolarHBondContact O-N 3.15Å; C10-G12 PolarHBondContact O-N 2.89Å; C10-T40 HydrophobicContact CB-CG2 4.18Å; C10-M41 VanDerWaalsContact SG-CE 3.53Å
11	S	88.6	Confident	94.7	Very high	15 Å²	15	61.8 Å²	61.8	11%	0.105	35%	0.345	C	S	.	.			trans	-60.5	136.6	178.2	-177.2	0	0	0	0	112.2	A8 S9 F13 K17	A8-S11 PolarHBondContact O-N 2.91Å; S9-S11 VanDerWaalsContact C-N 3.3Å; S9-S11 PolarHBondContact O-N 3.41Å; S11-F13 VanDerWaalsContact C-N 3.29Å; S11-F13 PolarHBondContact OG-N 3.24Å; S11-K17 WeakPolarHBondContact O-CE 3.32Å; S11-K17 PolarHBondContact O-NZ 2.97Å
12	G	91.3	Very high	95.9	Very high	76 Å²	76	54.3 Å²	54.3	78%	0.784	31%	0.309	S	S	*	.	S	Bend	trans	-77.5	-14.5	172.8	0	0	0	0	0	113.7	C10	C10-G12 PolarHBondContact O-N 2.89Å
13	F	93.8	Very high	96.2	Very high	143 Å²	143	51.5 Å²	51.5	63%	0.627	29%	0.292	S	S	*	.			trans	-95.2	114.1	-174.6	-59.8	-80	0	0	0	111.1	S11 A15 I16 K17	S11-F13 VanDerWaalsContact C-N 3.29Å; S11-F13 PolarHBondContact OG-N 3.24Å; F13-A15 PolarHBondContact O-N 3.02Å; F13-I16 HydrophobicContact CB-CB 4.19Å; F13-I16 HydrophobicContact CB-CD1 3.92Å; F13-I16 HydrophobicContact CB-CG1 3.96Å; F13-I16 HydrophobicContact CD2-CD1 3.93Å; F13-I16 HydrophobicContact CG-CD1 4.23Å; F13-I16 PolarHBondContact O-N 2.93Å; F13-I16 VanDerWaalsContact O-N 3.11Å; F13-K17 PolarHBondContact O-N 2.81Å
14	V	95.6	Very high	96.3	Very high	98 Å²	98	52 Å²	52	59%	0.594	30%	0.295	S	S	*	.	H	α-helix	trans	-57.7	-36.9	178.1	176.8	0	0	0	0	111.8	I16 K17 K18	V14-I16 VanDerWaalsContact C-N 3.34Å; V14-I16 PolarHBondContact O-N 3.23Å; V14-K17 PolarHBondContact O-N 3.14Å; V14-K18 HydrophobicContact CG1-CD 4.35Å; V14-K18 HydrophobicContact CG1-CG 4.46Å; V14-K18 WeakPolarHBondContact O-CG 3.44Å; V14-K18 PolarHBondContact O-N 3.44Å
15	A	96.1	Very high	96.3	Very high	68 Å²	68	57.3 Å²	57.3	56%	0.562	32%	0.315	S	S	*	.	H	α-helix	trans	-59.7	-42.8	177.6	0	0	0	0	0	112.3	F13 K18 K19	F13-A15 PolarHBondContact O-N 3.02Å; A15-K18 PolarHBondContact O-N 2.92Å; A15-K19 WeakPolarHBondContact O-CG 3.09Å; A15-K19 PolarHBondContact O-N 3.42Å
16	I	96.8	Very high	96.2	Very high	18 Å²	18	59 Å²	59	9%	0.092	32%	0.323	C	S	.	.	H	α-helix	trans	-63.7	-45.9	177.3	-69.1	179.5	0	0	0	110.5	F13 V14 K18 K19 Q20 L65 P66	F13-I16 HydrophobicContact CB-CB 4.19Å; F13-I16 HydrophobicContact CB-CD1 3.92Å; F13-I16 HydrophobicContact CB-CG1 3.96Å; F13-I16 HydrophobicContact CD2-CD1 3.93Å; F13-I16 HydrophobicContact CG-CD1 4.23Å; F13-I16 PolarHBondContact O-N 2.93Å; F13-I16 VanDerWaalsContact O-N 3.11Å; V14-I16 VanDerWaalsContact C-N 3.34Å; V14-I16 PolarHBondContact O-N 3.23Å; I16-K18 VanDerWaalsContact C-N 3.3Å; I16-K18 PolarHBondContact O-N 3.07Å; I16-K19 PolarHBondContact O-N 2.82Å; I16-Q20 HydrophobicContact CG2-CG 4.39Å; I16-Q20 VanDerWaalsContact CG2-OE1 3.25Å; I16-Q20 WeakPolarHBondContact O-CG 3.38Å; I16-Q20 PolarHBondContact O-N 3.5Å; I16-L65 HydrophobicContact CD1-CB 4.42Å; I16-L65 HydrophobicContact CD1-CD1 4.2Å; I16-L65 HydrophobicContact CD1-CD2 4.37Å; I16-P66 HydrophobicContact CG2-CG 4.05Å
17	K	97.1	Very high	96.2	Very high	98 Å²	98	59.1 Å²	59.1	43%	0.426	32%	0.323	S	S	.	.	H	α-helix	trans	-58.5	-42.3	177.5	-65.2	-168.2	-174	-176.4	0	112.3	S11 F13 V14 Q20 Q21	S11-K17 WeakPolarHBondContact O-CE 3.32Å; S11-K17 PolarHBondContact O-NZ 2.97Å; F13-K17 PolarHBondContact O-N 2.81Å; V14-K17 PolarHBondContact O-N 3.14Å; K17-Q20 PolarHBondContact O-N 3.38Å; K17-Q21 VanDerWaalsContact O-CB 3.3Å; K17-Q21 WeakPolarHBondContact O-CB 3.26Å; K17-Q21 PolarHBondContact O-N 2.91Å
18	K	98.1	Very high	96.1	Very high	147 Å²	147	64.1 Å²	64.1	64%	0.639	35%	0.346	S	S	*	.	H	α-helix	trans	-63.8	-45	177.1	-74.4	-176.9	174.3	-176	0	112	V14 A15 I16 Q21 D22	V14-K18 HydrophobicContact CG1-CD 4.35Å; V14-K18 HydrophobicContact CG1-CG 4.46Å; V14-K18 WeakPolarHBondContact O-CG 3.44Å; V14-K18 PolarHBondContact O-N 3.44Å; A15-K18 PolarHBondContact O-N 2.92Å; I16-K18 VanDerWaalsContact C-N 3.3Å; I16-K18 PolarHBondContact O-N 3.07Å; K18-Q21 PolarHBondContact O-N 3.4Å; K18-D22 PolarHBondContact O-N 3.41Å
19	K	98.6	Very high	96.1	Very high	68 Å²	68	67.7 Å²	67.7	30%	0.296	38%	0.375	S	S	.	.	H	α-helix	trans	-59.2	-48.2	176.3	-74.3	-171.3	169.5	-156.7	0	111.6	A15 I16 Q21 D22 V23 P67 Y79 D80	A15-K19 WeakPolarHBondContact O-CG 3.09Å; A15-K19 PolarHBondContact O-N 3.42Å; I16-K19 PolarHBondContact O-N 2.82Å; K19-Q21 PolarHBondContact O-N 2.85Å; K19-D22 PolarHBondContact O-N 3.27Å; K19-V23 WeakPolarHBondContact O-CG2 3.43Å; K19-V23 PolarHBondContact O-N 3.16Å; K19-P67 HydrophobicContact CB-CG 4.28Å; K19-Y79 HydrophobicContact CB-CD1 4.31Å; K19-Y79 HydrophobicContact CB-CD2 3.52Å; K19-Y79 HydrophobicContact CB-CE2 3.88Å; K19-Y79 HydrophobicContact CB-CG 3.75Å; K19-Y79 HydrophobicContact CD-CD1 3.46Å; K19-Y79 VanDerWaalsContact CD-CD1 3.46Å; K19-Y79 HydrophobicContact CD-CD2 4.23Å; K19-Y79 HydrophobicContact CD-CE1 4.03Å; K19-Y79 HydrophobicContact CD-CG 3.56Å; K19-Y79 VanDerWaalsContact CE-CD1 3.42Å; K19-Y79 HydrophobicContact CG-CD1 3.67Å; K19-Y79 HydrophobicContact CG-CD2 3.79Å; K19-Y79 HydrophobicContact CG-CE1 3.82Å; K19-Y79 HydrophobicContact CG-CE2 3.93Å; K19-Y79 HydrophobicContact CG-CG 3.64Å; K19-Y79 WeakPolarHBondContact O-CD2 3.39Å; K19-D80 IonicContact NZ-OD1 2.89Å; K19-D80 PolarHBondContact NZ-OD1 2.82Å
20	Q	98.6	Very high	96.2	Very high	14 Å²	14	67 Å²	67	7%	0.065	37%	0.367	C	S	.	.	H	α-helix	trans	-58.2	-48.2	176.1	-69.3	169.3	-176.6	0	0	111.7	V7 A8 I16 K17 D22 V23 V24 P66 P67	V7-Q20 HydrophobicContact CB-CG 4.2Å; V7-Q20 HydrophobicContact CG1-CB 4.15Å; V7-Q20 HydrophobicContact CG1-CG 4.04Å; A8-Q20 PolarHBondContact O-NE2 3.42Å; A8-Q20 VanDerWaalsContact O-NE2 3.14Å; A8-Q20 PolarHBondContact O-OE1 2.89Å; I16-Q20 HydrophobicContact CG2-CG 4.39Å; I16-Q20 VanDerWaalsContact CG2-OE1 3.25Å; I16-Q20 WeakPolarHBondContact O-CG 3.38Å; I16-Q20 PolarHBondContact O-N 3.5Å; K17-Q20 PolarHBondContact O-N 3.38Å; Q20-D22 VanDerWaalsContact C-N 3.33Å; Q20-D22 PolarHBondContact O-N 2.81Å; Q20-V23 PolarHBondContact O-N 3.4Å; Q20-V24 WeakPolarHBondContact O-CG2 3.32Å; Q20-V24 PolarHBondContact O-N 3.26Å; Q20-P66 HydrophobicContact CG-CB 4.45Å; Q20-P66 VanDerWaalsContact OE1-CG 3.28Å; Q20-P67 HydrophobicContact CG-CB 4.02Å; Q20-P67 HydrophobicContact CG-CG 4.33Å
21	Q	98.3	Very high	96.4	Very high	96 Å²	96	70.9 Å²	70.9	45%	0.449	37%	0.374	S	S	.	.	H	α-helix	trans	-66.9	-33	-177.4	-174.5	161.3	64.6	0	0	112.7	K17 K18 K19 R25	K17-Q21 VanDerWaalsContact O-CB 3.3Å; K17-Q21 WeakPolarHBondContact O-CB 3.26Å; K17-Q21 PolarHBondContact O-N 2.91Å; K18-Q21 PolarHBondContact O-N 3.4Å; K19-Q21 PolarHBondContact O-N 2.85Å; Q21-R25 VanDerWaalsContact CD-CZ 3.46Å; Q21-R25 HydrophobicContact CG-CG 4.1Å; Q21-R25 VanDerWaalsContact CG-NE 3.33Å; Q21-R25 VanDerWaalsContact O-CB 3.24Å; Q21-R25 WeakPolarHBondContact O-CB 3.47Å; Q21-R25 WeakPolarHBondContact O-CG 3.26Å; Q21-R25 PolarHBondContact O-N 3.29Å; Q21-R25 VanDerWaalsContact OE1-NH2 3.13Å
22	D	98.5	Very high	96.7	Very high	43 Å²	43	70.8 Å²	70.8	23%	0.23	37%	0.372	C	S	.	.	H	α-helix	trans	-65.9	-41.5	174.1	-173.2	44.7	0	0	0	111.9	K18 K19 Q20 F26 Y79 K86	K18-D22 PolarHBondContact O-N 3.41Å; K19-D22 PolarHBondContact O-N 3.27Å; Q20-D22 VanDerWaalsContact C-N 3.33Å; Q20-D22 PolarHBondContact O-N 2.81Å; D22-F26 VanDerWaalsContact O-CB 3.26Å; D22-F26 WeakPolarHBondContact O-CB 3.05Å; D22-F26 PolarHBondContact O-N 2.77Å; D22-Y79 HydrophobicContact CB-CE2 4.15Å; D22-Y79 PolarHBondContact OD2-OH 2.87Å; D22-K86 VanDerWaalsContact CG-NZ 3.28Å; D22-K86 IonicContact OD1-NZ 2.95Å; D22-K86 PolarHBondContact OD1-NZ 3.48Å; D22-K86 IonicContact OD2-NZ 2.87Å; D22-K86 PolarHBondContact OD2-NZ 3.38Å
23	V	98.6	Very high	96.9	Very high	1 Å²	1	75.2 Å²	75.2	1%	0.006	37%	0.373	C	S	.	.	H	α-helix	trans	-61	-53.6	174.7	177.1	0	0	0	0	110.4	V5 K19 Q20 R25 F26 L27 P67 I69 Y79 F82	V5-V23 HydrophobicContact CG1-CG1 3.89Å; V5-V23 HydrophobicContact CG2-CG1 4.07Å; K19-V23 WeakPolarHBondContact O-CG2 3.43Å; K19-V23 PolarHBondContact O-N 3.16Å; Q20-V23 PolarHBondContact O-N 3.4Å; V23-R25 PolarHBondContact O-N 2.88Å; V23-F26 PolarHBondContact O-N 3.28Å; V23-L27 HydrophobicContact CG1-CD1 4.17Å; V23-L27 WeakPolarHBondContact O-CG 3.29Å; V23-L27 PolarHBondContact O-N 2.9Å; V23-P67 HydrophobicContact CG2-CB 4.3Å; V23-P67 HydrophobicContact CG2-CG 3.86Å; V23-I69 HydrophobicContact CG1-CD1 4.21Å; V23-I69 HydrophobicContact CG1-CG1 4.05Å; V23-I69 HydrophobicContact CG2-CD1 4.32Å; V23-Y79 HydrophobicContact CG2-CD2 3.95Å; V23-Y79 HydrophobicContact CG2-CE2 4.48Å; V23-F82 HydrophobicContact CB-CE1 4.42Å; V23-F82 HydrophobicContact CG2-CD1 3.69Å; V23-F82 HydrophobicContact CG2-CE1 3.87Å; V23-F82 HydrophobicContact CG2-CG 4.12Å; V23-F82 HydrophobicContact CG2-CZ 4.44Å
24	V	98.4	Very high	97.1	Very high	13 Å²	13	70.6 Å²	70.6	8%	0.079	35%	0.352	C	S	.	.	H	α-helix	trans	-57.1	-53.4	-179	169.5	0	0	0	0	111.1	Q20 F26 L27 E28 F34 E36	Q20-V24 WeakPolarHBondContact O-CG2 3.32Å; Q20-V24 PolarHBondContact O-N 3.26Å; V24-F26 VanDerWaalsContact C-N 3.25Å; V24-F26 PolarHBondContact O-N 3.08Å; V24-L27 PolarHBondContact O-N 3.4Å; V24-L27 VanDerWaalsContact O-N 3.09Å; V24-E28 HydrophobicContact CG1-CG 4.4Å; V24-E28 WeakPolarHBondContact O-CG 3.42Å; V24-E28 PolarHBondContact O-N 3.18Å; V24-F34 HydrophobicContact CB-CE2 4.48Å; V24-F34 HydrophobicContact CG1-CE2 4.12Å; V24-F34 HydrophobicContact CG1-CZ 3.89Å; V24-F34 HydrophobicContact CG2-CE2 4.21Å; V24-E36 VanDerWaalsContact CG1-OE1 3.29Å; V24-E36 WeakPolarHBondContact CG1-OE1 3.43Å; V24-E36 HydrophobicContact CG2-CG 4.11Å
25	R	98.3	Very high	97.2	Very high	143 Å²	143	70.9 Å²	70.9	54%	0.54	35%	0.347	S	S	.	.	H	α-helix	trans	-60	-36.5	-179.6	-74.8	177.9	179.7	177.2	4.5	112.6	Q21 V23 A29	Q21-R25 VanDerWaalsContact CD-CZ 3.46Å; Q21-R25 HydrophobicContact CG-CG 4.1Å; Q21-R25 VanDerWaalsContact CG-NE 3.33Å; Q21-R25 VanDerWaalsContact O-CB 3.24Å; Q21-R25 WeakPolarHBondContact O-CB 3.47Å; Q21-R25 WeakPolarHBondContact O-CG 3.26Å; Q21-R25 PolarHBondContact O-N 3.29Å; Q21-R25 VanDerWaalsContact OE1-NH2 3.13Å; V23-R25 PolarHBondContact O-N 2.88Å; R25-A29 WeakPolarHBondContact O-CB 3.43Å; R25-A29 PolarHBondContact O-N 2.9Å
26	F	98	Very high	97.2	Very high	37 Å²	37	72.5 Å²	72.5	16%	0.162	34%	0.343	C	S	.	.	H	α-helix	trans	-64.9	-46.4	176.3	-178.9	-83.8	0	0	0	111.4	D22 V23 V24 A29 N30 I32 F82 K86 V91	D22-F26 VanDerWaalsContact O-CB 3.26Å; D22-F26 WeakPolarHBondContact O-CB 3.05Å; D22-F26 PolarHBondContact O-N 2.77Å; V23-F26 PolarHBondContact O-N 3.28Å; V24-F26 VanDerWaalsContact C-N 3.25Å; V24-F26 PolarHBondContact O-N 3.08Å; F26-A29 PolarHBondContact O-N 3.47Å; F26-N30 HydrophobicContact CE1-CB 4.47Å; F26-N30 VanDerWaalsContact CE1-ND2 3.35Å; F26-N30 WeakPolarHBondContact CE1-ND2 3.34Å; F26-N30 WeakPolarHBondContact CE2-ND2 3.45Å; F26-N30 VanDerWaalsContact CZ-ND2 3.28Å; F26-N30 WeakPolarHBondContact CZ-ND2 3.49Å; F26-N30 WeakPolarHBondContact O-CB 3.34Å; F26-N30 PolarHBondContact O-N 3.02Å; F26-N30 PolarHBondContact O-ND2 2.91Å; F26-I32 HydrophobicContact CE1-CD1 4.48Å; F26-F82 HydrophobicContact CB-CZ 3.76Å; F26-F82 AromaticContact CD1-CE2 3.95Å; F26-F82 HydrophobicContact CD1-CE2 3.95Å; F26-F82 AromaticContact CD1-CZ 3.73Å; F26-F82 HydrophobicContact CD1-CZ 3.73Å; F26-F82 HydrophobicContact CD2-CZ 4.36Å; F26-F82 HydrophobicContact CE1-CE2 4.45Å; F26-F82 HydrophobicContact CE1-CZ 4.48Å; F26-F82 HydrophobicContact CG-CE2 4.36Å; F26-F82 AromaticContact CG-CZ 3.68Å; F26-F82 HydrophobicContact CG-CZ 3.68Å; F26-K86 HydrophobicContact CD2-CD 4.04Å; F26-K86 HydrophobicContact CD2-CG 4.35Å; F26-K86 HydrophobicContact CE2-CD 4.26Å; F26-K86 HydrophobicContact CE2-CG 4.06Å; F26-V91 HydrophobicContact CD1-CG1 4.24Å; F26-V91 HydrophobicContact CE1-CB 3.94Å; F26-V91 HydrophobicContact CE1-CG1 3.52Å; F26-V91 HydrophobicContact CE1-CG2 3.98Å; F26-V91 HydrophobicContact CE2-CG2 4.49Å; F26-V91 HydrophobicContact CZ-CB 4.04Å; F26-V91 HydrophobicContact CZ-CG1 4.13Å; F26-V91 HydrophobicContact CZ-CG2 3.72Å
27	L	97.3	Very high	97.3	Very high	1 Å²	1	72.1 Å²	72.1	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-62.5	-44.1	179.3	-63	177.1	0	0	0	111.1	V3 V5 V23 V24 N30 K31 I32 F34 L95	V3-L27 HydrophobicContact CG1-CD1 4.13Å; V5-L27 HydrophobicContact CG2-CD1 3.47Å; V5-L27 VanDerWaalsContact CG2-CD1 3.47Å; V23-L27 HydrophobicContact CG1-CD1 4.17Å; V23-L27 WeakPolarHBondContact O-CG 3.29Å; V23-L27 PolarHBondContact O-N 2.9Å; V24-L27 PolarHBondContact O-N 3.4Å; V24-L27 VanDerWaalsContact O-N 3.09Å; L27-N30 CarbonylContact O-C 3.6Å; L27-N30 PolarHBondContact O-N 2.69Å; L27-K31 PolarHBondContact O-N 3.31Å; L27-K31 VanDerWaalsContact O-N 3.09Å; L27-I32 HydrophobicContact CB-CB 4.34Å; L27-I32 HydrophobicContact CD2-CB 4.09Å; L27-I32 HydrophobicContact CD2-CD1 3.83Å; L27-I32 HydrophobicContact CD2-CG2 3.98Å; L27-I32 PolarHBondContact O-N 2.97Å; L27-F34 HydrophobicContact CB-CD1 3.58Å; L27-F34 HydrophobicContact CB-CE1 3.69Å; L27-F34 HydrophobicContact CB-CG 4.16Å; L27-F34 HydrophobicContact CB-CZ 4.34Å; L27-F34 HydrophobicContact CD1-CB 3.88Å; L27-F34 HydrophobicContact CD1-CD1 3.97Å; L27-F34 HydrophobicContact CD1-CD2 3.9Å; L27-F34 HydrophobicContact CD1-CE2 4.44Å; L27-F34 HydrophobicContact CD1-CG 3.64Å; L27-F34 HydrophobicContact CG-CD1 4.42Å; L27-L95 HydrophobicContact CD2-CD1 3.65Å
28	E	97.1	Very high	97.3	Very high	113 Å²	113	69.4 Å²	69.4	53%	0.528	33%	0.332	S	S	.	.	H	α-helix	trans	-58.9	-52	174.5	-69	176.4	148.2	0	0	112	V24 N30 K31 F34	V24-E28 HydrophobicContact CG1-CG 4.4Å; V24-E28 WeakPolarHBondContact O-CG 3.42Å; V24-E28 PolarHBondContact O-N 3.18Å; E28-N30 PolarHBondContact O-N 3.43Å; E28-K31 PolarHBondContact O-N 3.2Å; E28-F34 HydrophobicContact CG-CE1 3.83Å; E28-F34 HydrophobicContact CG-CZ 3.86Å
29	A	96.5	Very high	97.2	Very high	84 Å²	84	62.9 Å²	62.9	69%	0.694	30%	0.304	S	S	*	.	H	α-helix	trans	-60.7	-33.5	-178.9	0	0	0	0	0	112.4	R25 F26 K31	R25-A29 WeakPolarHBondContact O-CB 3.43Å; R25-A29 PolarHBondContact O-N 2.9Å; F26-A29 PolarHBondContact O-N 3.47Å; A29-K31 VanDerWaalsContact C-N 3.32Å
30	N	94	Very high	97	Very high	46 Å²	46	62.3 Å²	62.3	25%	0.246	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	0.2	177.4	-74.2	-85.2	0	0	0	113.5	F26 L27 E28 I32 R100	F26-N30 HydrophobicContact CE1-CB 4.47Å; F26-N30 VanDerWaalsContact CE1-ND2 3.35Å; F26-N30 WeakPolarHBondContact CE1-ND2 3.34Å; F26-N30 WeakPolarHBondContact CE2-ND2 3.45Å; F26-N30 VanDerWaalsContact CZ-ND2 3.28Å; F26-N30 WeakPolarHBondContact CZ-ND2 3.49Å; F26-N30 WeakPolarHBondContact O-CB 3.34Å; F26-N30 PolarHBondContact O-N 3.02Å; F26-N30 PolarHBondContact O-ND2 2.91Å; L27-N30 CarbonylContact O-C 3.6Å; L27-N30 PolarHBondContact O-N 2.69Å; E28-N30 PolarHBondContact O-N 3.43Å; N30-I32 VanDerWaalsContact C-N 3.25Å; N30-I32 HydrophobicContact CB-CD1 3.86Å; N30-I32 HydrophobicContact CB-CG1 3.97Å; N30-I32 PolarHBondContact O-N 3.43Å; N30-R100 PolarHBondContact O-NH1 3.37Å; N30-R100 PolarHBondContact O-NH2 3.14Å
31	K	94.4	Very high	96.7	Very high	167 Å²	167	68 Å²	68	73%	0.726	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	46.5	-175.7	-52.3	-178.1	-179.6	-175.4	0	111.4	L27 E28 A29 R100	L27-K31 PolarHBondContact O-N 3.31Å; L27-K31 VanDerWaalsContact O-N 3.09Å; E28-K31 PolarHBondContact O-N 3.2Å; A29-K31 VanDerWaalsContact C-N 3.32Å; K31-R100 PolarHBondContact O-NH1 3.48Å
32	I	94.9	Very high	96.5	Very high	13 Å²	13	65.1 Å²	65.1	7%	0.067	33%	0.325	C	S	.	.			trans	-91.5	129.7	171.3	-63.9	169.6	0	0	0	106.2	V3 F26 L27 N30 F34 F92 L95 L97	V3-I32 HydrophobicContact CG2-CG2 4.26Å; F26-I32 HydrophobicContact CE1-CD1 4.48Å; L27-I32 HydrophobicContact CB-CB 4.34Å; L27-I32 HydrophobicContact CD2-CB 4.09Å; L27-I32 HydrophobicContact CD2-CD1 3.83Å; L27-I32 HydrophobicContact CD2-CG2 3.98Å; L27-I32 PolarHBondContact O-N 2.97Å; N30-I32 VanDerWaalsContact C-N 3.25Å; N30-I32 HydrophobicContact CB-CD1 3.86Å; N30-I32 HydrophobicContact CB-CG1 3.97Å; N30-I32 PolarHBondContact O-N 3.43Å; I32-F34 WeakPolarHBondContact O-CD1 3.45Å; I32-F92 HydrophobicContact CD1-CE1 4.15Å; I32-F92 HydrophobicContact CD1-CZ 4.04Å; I32-F92 HydrophobicContact CG1-CE1 4.17Å; I32-F92 HydrophobicContact CG1-CZ 4.24Å; I32-L95 HydrophobicContact CD1-CD1 3.89Å; I32-L95 HydrophobicContact CG2-CD1 4.32Å; I32-L97 HydrophobicContact CG2-CD1 3.66Å
33	E	95.5	Very high	96.3	Very high	169 Å²	169	68.4 Å²	68.4	79%	0.79	34%	0.339	S	S	*	.			trans	-74.4	128.6	174.5	-68.1	-176.1	147.6	0	0	110
34	F	98.1	Very high	96.3	Very high	45 Å²	45	75.3 Å²	75.3	20%	0.197	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	166.1	178.9	71.3	-75.8	0	0	0	111.6	V3 V5 V24 L27 E28 I32 E36	V3-F34 HydrophobicContact CB-CB 3.86Å; V3-F34 HydrophobicContact CG1-CB 4.02Å; V3-F34 CarbonylContact O-C 3.44Å; V3-F34 WeakPolarHBondContact O-CA 3.37Å; V3-F34 WeakPolarHBondContact O-CB 3.35Å; V5-F34 HydrophobicContact CG2-CD2 3.96Å; V24-F34 HydrophobicContact CB-CE2 4.48Å; V24-F34 HydrophobicContact CG1-CE2 4.12Å; V24-F34 HydrophobicContact CG1-CZ 3.89Å; V24-F34 HydrophobicContact CG2-CE2 4.21Å; L27-F34 HydrophobicContact CB-CD1 3.58Å; L27-F34 HydrophobicContact CB-CE1 3.69Å; L27-F34 HydrophobicContact CB-CG 4.16Å; L27-F34 HydrophobicContact CB-CZ 4.34Å; L27-F34 HydrophobicContact CD1-CB 3.88Å; L27-F34 HydrophobicContact CD1-CD1 3.97Å; L27-F34 HydrophobicContact CD1-CD2 3.9Å; L27-F34 HydrophobicContact CD1-CE2 4.44Å; L27-F34 HydrophobicContact CD1-CG 3.64Å; L27-F34 HydrophobicContact CG-CD1 4.42Å; E28-F34 HydrophobicContact CG-CE1 3.83Å; E28-F34 HydrophobicContact CG-CZ 3.86Å; I32-F34 WeakPolarHBondContact O-CD1 3.45Å; F34-E36 HydrophobicContact CD2-CG 4.11Å; F34-E36 HydrophobicContact CE2-CG 3.55Å
35	E	97.8	Very high	96.2	Very high	105 Å²	105	77 Å²	77	49%	0.491	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	132.2	172.7	-168.8	-177.7	-155.1	0	0	109.6	V3 R4 V5 V37	V3-E35 PolarHBondContact O-N 2.81Å; R4-E35 WeakPolarHBondContact CA-O 3.4Å; R4-E35 IonicContact NE-OE2 3.95Å; V5-E35 PolarHBondContact N-O 3.3Å; E35-V37 HydrophobicContact CG-CG2 4.43Å
36	E	97.6	Very high	96.2	Very high	101 Å²	101	74.7 Å²	74.7	47%	0.472	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	119.5	169	-66.2	-171.1	-131.8	0	0	109.8	V5 V7 V24 F34	V5-E36 WeakPolarHBondContact O-CA 3.41Å; V7-E36 HydrophobicContact CG2-CB 4.48Å; V24-E36 VanDerWaalsContact CG1-OE1 3.29Å; V24-E36 WeakPolarHBondContact CG1-OE1 3.43Å; V24-E36 HydrophobicContact CG2-CG 4.11Å; F34-E36 HydrophobicContact CD2-CG 4.11Å; F34-E36 HydrophobicContact CE2-CG 3.55Å
37	V	97.7	Very high	96.2	Very high	11 Å²	11	76.9 Å²	76.9	7%	0.067	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	102.5	180	-173.9	0	0	0	0	108.6	R4 V5 F6 V7 E35 I39 Q45	R4-V37 HydrophobicContact CB-CG2 4.33Å; V5-V37 PolarHBondContact O-N 3.22Å; F6-V37 WeakPolarHBondContact CA-O 3.35Å; F6-V37 HydrophobicContact CD1-CB 3.94Å; F6-V37 HydrophobicContact CD1-CG1 3.81Å; F6-V37 HydrophobicContact CE1-CB 4.04Å; F6-V37 HydrophobicContact CE1-CG1 3.61Å; F6-V37 HydrophobicContact CE2-CG2 4.5Å; F6-V37 HydrophobicContact CG-CB 4.19Å; F6-V37 HydrophobicContact CZ-CB 4.35Å; F6-V37 HydrophobicContact CZ-CG1 4.18Å; F6-V37 HydrophobicContact CZ-CG2 4.4Å; V7-V37 PolarHBondContact N-O 3.06Å; E35-V37 HydrophobicContact CG-CG2 4.43Å; V37-I39 PolarHBondContact O-N 3.4Å; V37-Q45 HydrophobicContact CG1-CB 3.77Å; V37-Q45 HydrophobicContact CG1-CG 3.71Å
38	D	97.2	Very high	96.2	Very high	40 Å²	40	79.8 Å²	79.8	21%	0.214	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	108	-179.2	-172.8	1.2	0	0	0	112.3	V7 S9 T40 M41	V7-D38 HydrophobicContact CG2-CB 4.26Å; V7-D38 WeakPolarHBondContact O-CA 3.11Å; S9-D38 WeakPolarHBondContact CB-OD2 3.44Å; S9-D38 PolarHBondContact N-OD1 2.94Å; S9-D38 PolarHBondContact OG-OD2 3.06Å; D38-T40 VanDerWaalsContact C-N 3.27Å; D38-T40 VanDerWaalsContact CG-OG1 3.29Å; D38-T40 PolarHBondContact O-N 3.48Å; D38-T40 WeakPolarHBondContact OD1-CB 3.28Å; D38-T40 PolarHBondContact OD1-N 3.17Å; D38-T40 PolarHBondContact OD1-OG1 2.79Å; D38-T40 PolarHBondContact OD2-OG1 3.37Å; D38-M41 PolarHBondContact O-N 2.79Å; D38-M41 WeakPolarHBondContact OD2-CG 3.35Å
39	I	96.9	Very high	96.2	Very high	11 Å²	11	74.4 Å²	74.4	6%	0.056	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-12.2	-178.8	73.1	-176	0	0	0	113.3	F6 V7 A8 V37 M41 R46 M49 P66	F6-I39 HydrophobicContact CB-CG2 4.15Å; F6-I39 HydrophobicContact CD1-CG2 3.6Å; F6-I39 HydrophobicContact CG-CG2 4.38Å; V7-I39 WeakPolarHBondContact O-CG1 3.41Å; V7-I39 PolarHBondContact O-N 2.91Å; A8-I39 HydrophobicContact CB-CG1 4.25Å; V37-I39 PolarHBondContact O-N 3.4Å; I39-M41 VanDerWaalsContact C-N 3.29Å; I39-R46 HydrophobicContact CB-CB 3.96Å; I39-R46 HydrophobicContact CB-CG 4.41Å; I39-M49 HydrophobicContact CD1-CE 3.71Å; I39-M49 HydrophobicContact CD1-SD 4.15Å; I39-M49 HydrophobicContact CG2-SD 4.23Å; I39-P66 HydrophobicContact CD1-CG 4.18Å
40	T	94.1	Very high	96.3	Very high	56 Å²	56	73 Å²	73	34%	0.344	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-21.3	175.8	58.5	0	0	0	0	112.5	A8 S9 C10 D38	A8-T40 HydrophobicContact CB-CG2 3.55Å; S9-T40 PolarHBondContact OG-OG1 3.27Å; C10-T40 HydrophobicContact CB-CG2 4.18Å; D38-T40 VanDerWaalsContact C-N 3.27Å; D38-T40 VanDerWaalsContact CG-OG1 3.29Å; D38-T40 PolarHBondContact O-N 3.48Å; D38-T40 WeakPolarHBondContact OD1-CB 3.28Å; D38-T40 PolarHBondContact OD1-N 3.17Å; D38-T40 PolarHBondContact OD1-OG1 2.79Å; D38-T40 PolarHBondContact OD2-OG1 3.37Å
41	M	90.8	Very high	96.4	Very high	132 Å²	132	78.1 Å²	78.1	65%	0.65	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-11.4	-178.9	-61.2	-62	124.1	0	0	113.1	C10 D38 I39	C10-M41 VanDerWaalsContact SG-CE 3.53Å; D38-M41 PolarHBondContact O-N 2.79Å; D38-M41 WeakPolarHBondContact OD2-CG 3.35Å; I39-M41 VanDerWaalsContact C-N 3.29Å
42	S	94	Very high	96.6	Very high	36 Å²	36	73 Å²	73	25%	0.252	34%	0.343	S	S	.	.			trans	-139.7	110.3	179.3	178.5	0	0	0	0	111.7	E44 Q45 R46	S42-E44 VanDerWaalsContact C-N 3.27Å; S42-E44 PolarHBondContact O-N 3.29Å; S42-Q45 PolarHBondContact O-N 3.32Å; S42-Q45 WeakPolarHBondContact OG-CG 3.48Å; S42-Q45 PolarHBondContact OG-N 2.89Å; S42-R46 PolarHBondContact O-N 2.91Å; S42-R46 VanDerWaalsContact O-N 3.09Å
43	E	95.5	Very high	96.7	Very high	112 Å²	112	72.4 Å²	72.4	52%	0.523	34%	0.341	S	S	.	.	H	α-helix	trans	-62.7	-36.5	173.1	172.7	158.9	-145.7	0	0	112.1	Q45 R46 Q47	E43-Q45 PolarHBondContact O-N 3.19Å; E43-R46 WeakPolarHBondContact O-CB 3.33Å; E43-R46 PolarHBondContact O-N 2.63Å; E43-R46 IonicContact OE1-NH2 2.82Å; E43-R46 PolarHBondContact OE1-NH2 3.31Å; E43-Q47 HydrophobicContact CG-CG 4.17Å; E43-Q47 WeakPolarHBondContact O-CG 3.5Å; E43-Q47 PolarHBondContact O-N 2.93Å; E43-Q47 PolarHBondContact OE1-NE2 2.95Å; E43-Q47 VanDerWaalsContact OE1-NE2 3.1Å
44	E	97.6	Very high	96.8	Very high	147 Å²	147	66.1 Å²	66.1	69%	0.687	31%	0.314	S	S	*	.	H	α-helix	trans	-58.3	-48.7	177	-176.7	-176.4	179.4	0	0	111	S42 R46 Q47 W48	S42-E44 VanDerWaalsContact C-N 3.27Å; S42-E44 PolarHBondContact O-N 3.29Å; E44-R46 VanDerWaalsContact C-N 3.33Å; E44-R46 PolarHBondContact O-N 3.24Å; E44-Q47 PolarHBondContact O-N 3.39Å; E44-W48 WeakPolarHBondContact O-CB 3.48Å; E44-W48 PolarHBondContact O-N 3.09Å
45	Q	97.4	Very high	96.6	Very high	48 Å²	48	69 Å²	69	22%	0.224	34%	0.337	C	S	.	.	H	α-helix	trans	-65.4	-37.3	178	-66	-59.8	-36.5	0	0	112	F6 V37 S42 E43 W48 M49	F6-Q45 HydrophobicContact CE1-CB 4.31Å; V37-Q45 HydrophobicContact CG1-CB 3.77Å; V37-Q45 HydrophobicContact CG1-CG 3.71Å; S42-Q45 PolarHBondContact O-N 3.32Å; S42-Q45 WeakPolarHBondContact OG-CG 3.48Å; S42-Q45 PolarHBondContact OG-N 2.89Å; E43-Q45 PolarHBondContact O-N 3.19Å; Q45-W48 PolarHBondContact O-N 2.76Å; Q45-M49 WeakPolarHBondContact O-CB 3.25Å; Q45-M49 PolarHBondContact O-N 3.23Å
46	R	97.3	Very high	96.5	Very high	94 Å²	94	71.2 Å²	71.2	36%	0.355	35%	0.348	S	S	.	.	H	α-helix	trans	-59.3	-49.5	173.6	-175.7	178.9	65.2	179.1	-1.1	111.7	I39 S42 E43 E44 M49 Y50	I39-R46 HydrophobicContact CB-CB 3.96Å; I39-R46 HydrophobicContact CB-CG 4.41Å; S42-R46 PolarHBondContact O-N 2.91Å; S42-R46 VanDerWaalsContact O-N 3.09Å; E43-R46 WeakPolarHBondContact O-CB 3.33Å; E43-R46 PolarHBondContact O-N 2.63Å; E43-R46 IonicContact OE1-NH2 2.82Å; E43-R46 PolarHBondContact OE1-NH2 3.31Å; E44-R46 VanDerWaalsContact C-N 3.33Å; E44-R46 PolarHBondContact O-N 3.24Å; R46-M49 WeakPolarHBondContact O-CB 3.33Å; R46-M49 PolarHBondContact O-N 3.32Å; R46-Y50 HydrophobicContact CG-CD2 4.48Å; R46-Y50 HydrophobicContact CG-CE1 4.4Å; R46-Y50 HydrophobicContact CG-CE2 3.86Å; R46-Y50 PolarHBondContact O-N 2.85Å; R46-Y50 VanDerWaalsContact O-N 3.11Å
47	Q	97.7	Very high	96.3	Very high	83 Å²	83	71.7 Å²	71.7	39%	0.388	35%	0.348	S	S	.	.	H	α-helix	trans	-67.4	-38.7	179.7	-69.8	-173.6	16.4	0	0	111.5	E43 E44 M49 Y50 K51	E43-Q47 HydrophobicContact CG-CG 4.17Å; E43-Q47 WeakPolarHBondContact O-CG 3.5Å; E43-Q47 PolarHBondContact O-N 2.93Å; E43-Q47 PolarHBondContact OE1-NE2 2.95Å; E43-Q47 VanDerWaalsContact OE1-NE2 3.1Å; E44-Q47 PolarHBondContact O-N 3.39Å; Q47-M49 VanDerWaalsContact C-N 3.34Å; Q47-Y50 PolarHBondContact O-N 2.77Å; Q47-K51 WeakPolarHBondContact O-CG 3.34Å; Q47-K51 PolarHBondContact O-N 3.48Å
48	W	97.8	Very high	96.2	Very high	62 Å²	62	75.4 Å²	75.4	24%	0.235	36%	0.364	C	S	.	.	H	α-helix	trans	-58.7	-47.7	174.2	-173.5	98.1	0	0	0	110.6	F6 E44 Q45 Y50 K51 N52 F70 D73	F6-W48 AromaticContact CE1-CE3 3.87Å; F6-W48 HydrophobicContact CE1-CE3 3.87Å; F6-W48 HydrophobicContact CE1-CZ3 4.27Å; F6-W48 HydrophobicContact CE2-CE3 4.12Å; F6-W48 AromaticContact CE2-CZ3 3.66Å; F6-W48 HydrophobicContact CE2-CZ3 3.66Å; F6-W48 HydrophobicContact CZ-CD2 4.45Å; F6-W48 AromaticContact CZ-CE3 3.32Å; F6-W48 HydrophobicContact CZ-CE3 3.32Å; F6-W48 HydrophobicContact CZ-CH2 4.41Å; F6-W48 AromaticContact CZ-CZ3 3.31Å; F6-W48 HydrophobicContact CZ-CZ3 3.31Å; E44-W48 WeakPolarHBondContact O-CB 3.48Å; E44-W48 PolarHBondContact O-N 3.09Å; Q45-W48 PolarHBondContact O-N 2.76Å; W48-Y50 PolarHBondContact O-N 2.96Å; W48-K51 PolarHBondContact O-N 3.05Å; W48-N52 VanDerWaalsContact CD2-ND2 3.29Å; W48-N52 HydrophobicContact CE3-CB 4.44Å; W48-N52 HydrophobicContact CH2-CB 4.22Å; W48-N52 HydrophobicContact CZ2-CB 4.4Å; W48-N52 HydrophobicContact CZ3-CB 4.23Å; W48-N52 PolarHBondContact NE1-ND2 2.79Å; W48-N52 PolarHBondContact O-N 3.12Å; W48-N52 PolarHBondContact O-ND2 3.02Å; W48-F70 AromaticContact CH2-CD1 3.97Å; W48-F70 HydrophobicContact CH2-CD1 3.97Å; W48-F70 HydrophobicContact CH2-CE1 4.18Å; W48-F70 HydrophobicContact CH2-CG 4.37Å; W48-F70 HydrophobicContact CZ3-CD1 4.04Å; W48-F70 HydrophobicContact CZ3-CD2 4.33Å; W48-F70 HydrophobicContact CZ3-CE1 4.01Å; W48-F70 HydrophobicContact CZ3-CE2 4.29Å; W48-F70 HydrophobicContact CZ3-CG 4.21Å; W48-F70 HydrophobicContact CZ3-CZ 4.12Å; W48-D73 HydrophobicContact CZ2-CB 4.46Å; W48-D73 WeakPolarHBondContact CZ2-OD1 3.43Å
49	M	97.8	Very high	96	Very high	0 Å²	0	76.1 Å²	76.1	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-56.6	-48.6	176.7	-173.2	-169.9	72.8	0	0	111.3	F6 I39 Q45 R46 Q47 K51 N52 I53 Q68 F70	F6-M49 HydrophobicContact CB-CG 4.15Å; F6-M49 HydrophobicContact CB-SD 3.43Å; F6-M49 WeakPolarHBondContact CB-SD 3.46Å; F6-M49 HydrophobicContact CD1-CB 3.72Å; F6-M49 HydrophobicContact CD1-CG 3.92Å; F6-M49 HydrophobicContact CD1-SD 4Å; F6-M49 HydrophobicContact CE1-CB 3.93Å; F6-M49 HydrophobicContact CE1-CG 4.48Å; F6-M49 HydrophobicContact CG-CB 4.25Å; F6-M49 HydrophobicContact CG-CG 3.94Å; F6-M49 HydrophobicContact CG-SD 3.88Å; I39-M49 HydrophobicContact CD1-CE 3.71Å; I39-M49 HydrophobicContact CD1-SD 4.15Å; I39-M49 HydrophobicContact CG2-SD 4.23Å; Q45-M49 WeakPolarHBondContact O-CB 3.25Å; Q45-M49 PolarHBondContact O-N 3.23Å; R46-M49 WeakPolarHBondContact O-CB 3.33Å; R46-M49 PolarHBondContact O-N 3.32Å; Q47-M49 VanDerWaalsContact C-N 3.34Å; M49-K51 VanDerWaalsContact C-N 3.33Å; M49-K51 PolarHBondContact O-N 3.41Å; M49-N52 PolarHBondContact O-N 2.83Å; M49-I53 HydrophobicContact CG-CD1 4.17Å; M49-I53 WeakPolarHBondContact O-CD1 3.39Å; M49-I53 VanDerWaalsContact O-CG1 3.29Å; M49-I53 WeakPolarHBondContact O-CG1 3.36Å; M49-I53 PolarHBondContact O-N 2.95Å; M49-Q68 HydrophobicContact CE-CG 4.3Å; M49-Q68 HydrophobicContact CG-CB 4.04Å; M49-Q68 HydrophobicContact CG-CG 4.24Å; M49-Q68 HydrophobicContact SD-CB 3.7Å; M49-Q68 HydrophobicContact SD-CG 3.63Å; M49-F70 HydrophobicContact CG-CE2 4.18Å
50	Y	97.5	Very high	95.7	Very high	54 Å²	54	81.3 Å²	81.3	21%	0.212	42%	0.415	C	S	.	.	H	α-helix	trans	-63.5	-35.5	-179.7	-66.2	-12.5	0	0	0	113.9	R46 Q47 W48 K58 N63 P64	R46-Y50 HydrophobicContact CG-CD2 4.48Å; R46-Y50 HydrophobicContact CG-CE1 4.4Å; R46-Y50 HydrophobicContact CG-CE2 3.86Å; R46-Y50 PolarHBondContact O-N 2.85Å; R46-Y50 VanDerWaalsContact O-N 3.11Å; Q47-Y50 PolarHBondContact O-N 2.77Å; W48-Y50 PolarHBondContact O-N 2.96Å; Y50-K58 WeakPolarHBondContact O-CE 3.2Å; Y50-K58 PolarHBondContact O-NZ 3.37Å; Y50-K58 VanDerWaalsContact O-NZ 3.17Å; Y50-N63 HydrophobicContact CE1-CB 4.08Å; Y50-N63 HydrophobicContact CE2-CB 3.99Å; Y50-N63 WeakPolarHBondContact OH-CB 3.09Å; Y50-P64 HydrophobicContact CD1-CB 4.23Å; Y50-P64 HydrophobicContact CD1-CG 3.99Å; Y50-P64 HydrophobicContact CE1-CB 4.28Å; Y50-P64 HydrophobicContact CE1-CG 4.37Å; Y50-P64 WeakPolarHBondContact CE1-O 3.35Å
51	K	97.1	Very high	95.6	Very high	154 Å²	154	87.3 Å²	87.3	67%	0.67	44%	0.439	S	S	*	.	H	α-helix	trans	-73.4	-35.5	-180	-73.8	173.6	-178.1	173.3	0	112.3	Q47 W48 M49	Q47-K51 WeakPolarHBondContact O-CG 3.34Å; Q47-K51 PolarHBondContact O-N 3.48Å; W48-K51 PolarHBondContact O-N 3.05Å; M49-K51 VanDerWaalsContact C-N 3.33Å; M49-K51 PolarHBondContact O-N 3.41Å
52	N	97.8	Very high	95.6	Very high	59 Å²	59	83.8 Å²	83.8	32%	0.316	44%	0.437	S	S	.	.	H	α-helix	trans	-91.7	-2.8	-174.1	-69.1	-80.1	0	0	0	114.3	W48 M49 F70	W48-N52 VanDerWaalsContact CD2-ND2 3.29Å; W48-N52 HydrophobicContact CE3-CB 4.44Å; W48-N52 HydrophobicContact CH2-CB 4.22Å; W48-N52 HydrophobicContact CZ2-CB 4.4Å; W48-N52 HydrophobicContact CZ3-CB 4.23Å; W48-N52 PolarHBondContact NE1-ND2 2.79Å; W48-N52 PolarHBondContact O-N 3.12Å; W48-N52 PolarHBondContact O-ND2 3.02Å; M49-N52 PolarHBondContact O-N 2.83Å; N52-F70 HydrophobicContact CB-CE1 3.78Å; N52-F70 HydrophobicContact CB-CZ 4.18Å
53	I	97.8	Very high	95.6	Very high	2 Å²	2	86.8 Å²	86.8	1%	0.01	45%	0.45	C	S	.	.	S	Bend	trans	-76.7	126.6	167.8	-67.8	164.4	0	0	0	109	M49 K57 K58 P64 Q68 F70 Y75	M49-I53 HydrophobicContact CG-CD1 4.17Å; M49-I53 WeakPolarHBondContact O-CD1 3.39Å; M49-I53 VanDerWaalsContact O-CG1 3.29Å; M49-I53 WeakPolarHBondContact O-CG1 3.36Å; M49-I53 PolarHBondContact O-N 2.95Å; I53-K57 HydrophobicContact CG2-CB 4.03Å; I53-K58 HydrophobicContact CB-CG 4.47Å; I53-K58 HydrophobicContact CG2-CG 3.85Å; I53-K58 WeakPolarHBondContact O-CE 3.4Å; I53-P64 HydrophobicContact CD1-CB 3.44Å; I53-P64 VanDerWaalsContact CD1-CB 3.44Å; I53-P64 HydrophobicContact CD1-CG 3.62Å; I53-Q68 HydrophobicContact CD1-CG 4.03Å; I53-F70 HydrophobicContact CG1-CZ 3.98Å; I53-Y75 HydrophobicContact CD1-CE2 4.48Å; I53-Y75 HydrophobicContact CG1-CD2 4.1Å; I53-Y75 HydrophobicContact CG1-CE2 3.77Å; I53-Y75 HydrophobicContact CG2-CE1 4.33Å
54	P	96.7	Very high	95.6	Very high	37 Å²	37	82 Å²	82	24%	0.24	43%	0.428	C	S	.	.			trans	-55.9	139.7	176.1	-25.1	34.2	0	0	0	112	E56 K57 K58 Y75	P54-E56 VanDerWaalsContact CB-CD 3.49Å; P54-E56 HydrophobicContact CB-CG 4.39Å; P54-E56 VanDerWaalsContact CB-OE2 3.32Å; P54-E56 WeakPolarHBondContact CB-OE2 3.49Å; P54-E56 PolarHBondContact O-N 3.2Å; P54-E56 VanDerWaalsContact O-N 3.16Å; P54-K57 HydrophobicContact CB-CB 4.44Å; P54-K57 HydrophobicContact CB-CG 4.35Å; P54-K57 WeakPolarHBondContact O-CA 3.49Å; P54-K57 PolarHBondContact O-N 3.4Å; P54-K58 PolarHBondContact O-N 3.03Å; P54-Y75 HydrophobicContact CG-CD1 3.87Å; P54-Y75 HydrophobicContact CG-CG 4.38Å
55	P	94.5	Very high	95.6	Very high	105 Å²	105	80.2 Å²	80.2	68%	0.682	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-51.8	-39	-178.1	-27.4	35	0	0	0	114.4	K57 K58	P55-K57 PolarHBondContact O-N 3.25Å; P55-K58 WeakPolarHBondContact O-CB 3.26Å; P55-K58 PolarHBondContact O-N 3.37Å
56	E	95.1	Very high	95.6	Very high	151 Å²	151	78.5 Å²	78.5	71%	0.706	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-70.1	-15.9	178.9	68.3	-85.5	-156.8	0	0	114	P54	P54-E56 VanDerWaalsContact CB-CD 3.49Å; P54-E56 HydrophobicContact CB-CG 4.39Å; P54-E56 VanDerWaalsContact CB-OE2 3.32Å; P54-E56 WeakPolarHBondContact CB-OE2 3.49Å; P54-E56 PolarHBondContact O-N 3.2Å; P54-E56 VanDerWaalsContact O-N 3.16Å
57	K	94.9	Very high	95.6	Very high	112 Å²	112	74.1 Å²	74.1	49%	0.487	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-101.2	-2.5	175.2	-65.9	-65.5	-171.9	172.2	0	112.6	I53 P54 P55 Y75	I53-K57 HydrophobicContact CG2-CB 4.03Å; P54-K57 HydrophobicContact CB-CB 4.44Å; P54-K57 HydrophobicContact CB-CG 4.35Å; P54-K57 WeakPolarHBondContact O-CA 3.49Å; P54-K57 PolarHBondContact O-N 3.4Å; P55-K57 PolarHBondContact O-N 3.25Å; K57-Y75 HydrophobicContact CB-CD1 4.48Å; K57-Y75 HydrophobicContact CB-CE1 3.74Å; K57-Y75 HydrophobicContact CG-CD1 4.35Å; K57-Y75 HydrophobicContact CG-CE1 3.85Å
58	K	94.4	Very high	95.7	Very high	89 Å²	89	70.6 Å²	70.6	39%	0.387	38%	0.383	S	S	.	.	S	Bend	trans	-74.2	146.2	175.2	-68	-176.1	-177.5	-178.2	0	110.2	Y50 I53 P54 P55	Y50-K58 WeakPolarHBondContact O-CE 3.2Å; Y50-K58 PolarHBondContact O-NZ 3.37Å; Y50-K58 VanDerWaalsContact O-NZ 3.17Å; I53-K58 HydrophobicContact CB-CG 4.47Å; I53-K58 HydrophobicContact CG2-CG 3.85Å; I53-K58 WeakPolarHBondContact O-CE 3.4Å; P54-K58 PolarHBondContact O-N 3.03Å; P55-K58 WeakPolarHBondContact O-CB 3.26Å; P55-K58 PolarHBondContact O-N 3.37Å
59	P	92.6	Very high	95.7	Very high	55 Å²	55	67.7 Å²	67.7	36%	0.357	37%	0.372	S	S	.	.			trans	-63.6	147	174.5	28.6	-34.7	0	0	0	110.4	Q61	P59-Q61 PolarHBondContact O-N 2.9Å
60	A	90.6	Very high	95.7	Very high	119 Å²	119	67.7 Å²	67.7	98%	0.983	37%	0.372	S	S	*	.	S	Bend	trans	-62.2	-26.2	177.1	0	0	0	0	0	112.9
61	Q	92.2	Very high	95.8	Very high	182 Å²	182	65.3 Å²	65.3	85%	0.85	36%	0.363	S	S	*	.	S	Bend	trans	-137.9	137.4	177.2	-169.3	-180	10.4	0	0	110.9	P59	P59-Q61 PolarHBondContact O-N 2.9Å
62	G	92	Very high	95.6	Very high	59 Å²	59	58.8 Å²	58.8	61%	0.608	34%	0.34	S	S	*	.	S	Bend	trans	79.3	-164.1	176.4	0	0	0	0	0	113.6
63	N	93.7	Very high	95.5	Very high	99 Å²	99	61.8 Å²	61.8	53%	0.529	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-96.7	152.2	-178.8	-66.3	-34.4	0	0	0	111.1	Y50 L65	Y50-N63 HydrophobicContact CE1-CB 4.08Å; Y50-N63 HydrophobicContact CE2-CB 3.99Å; Y50-N63 WeakPolarHBondContact OH-CB 3.09Å; N63-L65 PolarHBondContact O-N 3.4Å
64	P	95.4	Very high	95.5	Very high	11 Å²	11	66.7 Å²	66.7	7%	0.071	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-53.4	133.9	169.7	-23.4	32.3	0	0	0	111.6	Y50 I53	Y50-P64 HydrophobicContact CD1-CB 4.23Å; Y50-P64 HydrophobicContact CD1-CG 3.99Å; Y50-P64 HydrophobicContact CE1-CB 4.28Å; Y50-P64 HydrophobicContact CE1-CG 4.37Å; Y50-P64 WeakPolarHBondContact CE1-O 3.35Å; I53-P64 HydrophobicContact CD1-CB 3.44Å; I53-P64 VanDerWaalsContact CD1-CB 3.44Å; I53-P64 HydrophobicContact CD1-CG 3.62Å
65	L	96.6	Very high	95.5	Very high	110 Å²	110	66.4 Å²	66.4	58%	0.576	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-101.7	143.7	179.2	-64.3	177	0	0	0	110.3	I16 N63 Q68	I16-L65 HydrophobicContact CD1-CB 4.42Å; I16-L65 HydrophobicContact CD1-CD1 4.2Å; I16-L65 HydrophobicContact CD1-CD2 4.37Å; N63-L65 PolarHBondContact O-N 3.4Å; L65-Q68 PolarHBondContact O-NE2 3.41Å
66	P	97.5	Very high	95.7	Very high	11 Å²	11	62.4 Å²	62.4	7%	0.071	34%	0.343	C	S	.	.	S	Bend	trans	-70.2	157.8	174.5	27.5	-31.7	0	0	0	112.2	F6 A8 I16 Q20 I39	F6-P66 WeakPolarHBondContact O-CB 3.5Å; A8-P66 HydrophobicContact CB-CG 3.54Å; I16-P66 HydrophobicContact CG2-CG 4.05Å; Q20-P66 HydrophobicContact CG-CB 4.45Å; Q20-P66 VanDerWaalsContact OE1-CG 3.28Å; I39-P66 HydrophobicContact CD1-CG 4.18Å
67	P	98.4	Very high	95.9	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.013	31%	0.31	C	S	.	.	P	Polyproline II helix	cis	-75.8	147.1	1	31.8	-34.4	0	0	0	113.3	V5 F6 K19 Q20 V23 Y79	V5-P67 HydrophobicContact CG1-CB 4.22Å; F6-P67 VanDerWaalsContact O-CA 3.28Å; F6-P67 WeakPolarHBondContact O-CA 3.39Å; K19-P67 HydrophobicContact CB-CG 4.28Å; Q20-P67 HydrophobicContact CG-CB 4.02Å; Q20-P67 HydrophobicContact CG-CG 4.33Å; V23-P67 HydrophobicContact CG2-CB 4.3Å; V23-P67 HydrophobicContact CG2-CG 3.86Å; P67-Y79 HydrophobicContact CG-CD2 4.18Å; P67-Y79 HydrophobicContact CG-CG 4.48Å
68	Q	98.7	Very high	96	Very high	10 Å²	10	52.1 Å²	52.1	5%	0.047	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	126.6	170.6	-63.4	-67.3	-28.8	0	0	109	F6 M49 I53 L65 F70 Y75	F6-Q68 HydrophobicContact CB-CB 4.21Å; F6-Q68 PolarHBondContact N-O 3.46Å; F6-Q68 PolarHBondContact O-N 2.84Å; F6-Q68 VanDerWaalsContact O-N 3.15Å; M49-Q68 HydrophobicContact CE-CG 4.3Å; M49-Q68 HydrophobicContact CG-CB 4.04Å; M49-Q68 HydrophobicContact CG-CG 4.24Å; M49-Q68 HydrophobicContact SD-CB 3.7Å; M49-Q68 HydrophobicContact SD-CG 3.63Å; I53-Q68 HydrophobicContact CD1-CG 4.03Å; L65-Q68 PolarHBondContact O-NE2 3.41Å; Q68-F70 HydrophobicContact CB-CE2 4.18Å; Q68-Y75 VanDerWaalsContact OE1-CZ 3.32Å; Q68-Y75 PolarHBondContact OE1-OH 3.09Å
69	I	98.8	Very high	96.2	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	130.8	-170.7	-57	117.5	0	0	0	110.6	V3 R4 V5 V23 C76 G77 F82 F94 L95	V3-I69 HydrophobicContact CG1-CG2 4.03Å; R4-I69 WeakPolarHBondContact O-CA 3.47Å; V5-I69 HydrophobicContact CG1-CG1 4.48Å; V23-I69 HydrophobicContact CG1-CD1 4.21Å; V23-I69 HydrophobicContact CG1-CG1 4.05Å; V23-I69 HydrophobicContact CG2-CD1 4.32Å; I69-C76 HydrophobicContact CB-CB 4.33Å; I69-C76 HydrophobicContact CG2-CB 4.05Å; I69-C76 WeakPolarHBondContact O-CB 3.48Å; I69-C76 PolarHBondContact O-N 3.24Å; I69-G77 PolarHBondContact N-O 3.24Å; I69-G77 PolarHBondContact O-N 3.06Å; I69-F82 HydrophobicContact CD1-CB 3.92Å; I69-F82 HydrophobicContact CD1-CG 4.4Å; I69-F94 HydrophobicContact CB-CE1 4.4Å; I69-F94 HydrophobicContact CB-CZ 4.48Å; I69-F94 HydrophobicContact CD1-CE1 4.27Å; I69-F94 HydrophobicContact CD1-CZ 4.22Å; I69-F94 HydrophobicContact CG2-CE1 4.27Å; I69-L95 HydrophobicContact CG2-CD2 3.59Å
70	F	98.6	Very high	96.5	Very high	0 Å²	0	51 Å²	51	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	158.2	175.3	-68.5	-103.5	0	0	0	110.3	V3 R4 F6 W48 M49 N52 I53 Q68 R74 Y75	V3-F70 CarbonylContact C-O 3.59Å; V3-F70 WeakPolarHBondContact CA-O 3.41Å; R4-F70 HydrophobicContact CB-CB 4.38Å; R4-F70 PolarHBondContact N-O 2.85Å; R4-F70 PolarHBondContact O-N 3.33Å; F6-F70 AromaticContact CD2-CD2 3.66Å; F6-F70 HydrophobicContact CD2-CD2 3.66Å; F6-F70 HydrophobicContact CD2-CE2 4.02Å; F6-F70 AromaticContact CE2-CD2 3.62Å; F6-F70 HydrophobicContact CE2-CD2 3.62Å; F6-F70 HydrophobicContact CE2-CE2 4.09Å; F6-F70 HydrophobicContact CE2-CG 4.26Å; W48-F70 AromaticContact CH2-CD1 3.97Å; W48-F70 HydrophobicContact CH2-CD1 3.97Å; W48-F70 HydrophobicContact CH2-CE1 4.18Å; W48-F70 HydrophobicContact CH2-CG 4.37Å; W48-F70 HydrophobicContact CZ3-CD1 4.04Å; W48-F70 HydrophobicContact CZ3-CD2 4.33Å; W48-F70 HydrophobicContact CZ3-CE1 4.01Å; W48-F70 HydrophobicContact CZ3-CE2 4.29Å; W48-F70 HydrophobicContact CZ3-CG 4.21Å; W48-F70 HydrophobicContact CZ3-CZ 4.12Å; M49-F70 HydrophobicContact CG-CE2 4.18Å; N52-F70 HydrophobicContact CB-CE1 3.78Å; N52-F70 HydrophobicContact CB-CZ 4.18Å; I53-F70 HydrophobicContact CG1-CZ 3.98Å; Q68-F70 HydrophobicContact CB-CE2 4.18Å; F70-R74 CarbonylContact C-O 3.55Å; F70-R74 VanDerWaalsContact CA-O 3.26Å; F70-R74 WeakPolarHBondContact CA-O 3.34Å; F70-Y75 HydrophobicContact CD1-CD2 4.15Å; F70-Y75 HydrophobicContact CD2-CD2 4.22Å; F70-Y75 AromaticContact CE1-CD2 3.64Å; F70-Y75 HydrophobicContact CE1-CD2 3.64Å; F70-Y75 HydrophobicContact CE1-CG 4.17Å; F70-Y75 AromaticContact CE2-CD2 3.74Å; F70-Y75 HydrophobicContact CE2-CD2 3.74Å; F70-Y75 HydrophobicContact CE2-CE2 4.14Å; F70-Y75 HydrophobicContact CG-CD2 4.42Å; F70-Y75 AromaticContact CZ-CD2 3.43Å; F70-Y75 HydrophobicContact CZ-CD2 3.43Å; F70-Y75 VanDerWaalsContact CZ-CD2 3.43Å; F70-Y75 HydrophobicContact CZ-CE2 4.12Å; F70-Y75 HydrophobicContact CZ-CG 4.33Å
71	N	97.6	Very high	96.8	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.021	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	105.5	163.1	-178.4	-4.8	0	0	0	108	M1 V2 D73 R74 L95	M1-N71 WeakPolarHBondContact CB-OD1 3.38Å; V2-N71 PolarHBondContact O-OD1 2.85Å; N71-D73 PolarHBondContact O-N 2.84Å; N71-R74 PolarHBondContact N-O 2.97Å; N71-R74 PolarHBondContact O-N 3.15Å; N71-R74 VanDerWaalsContact O-N 3.14Å; N71-L95 WeakPolarHBondContact CB-O 3.47Å; N71-L95 PolarHBondContact ND2-O 2.52Å
72	G	94.9	Very high	97.1	Very high	17 Å²	17	37.8 Å²	37.8	18%	0.175	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	-120.1	-160.3	0	0	0	0	0	110.3	V2	V2-G72 PolarHBondContact O-N 3.23Å
73	D	94.9	Very high	97.4	Very high	121 Å²	121	38.8 Å²	38.8	65%	0.647	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-6.6	178.9	-57.6	-26.2	0	0	0	113.1	W48 N71 Y75	W48-D73 HydrophobicContact CZ2-CB 4.46Å; W48-D73 WeakPolarHBondContact CZ2-OD1 3.43Å; N71-D73 PolarHBondContact O-N 2.84Å; D73-Y75 PolarHBondContact O-N 2.82Å
74	R	96.6	Very high	97.6	Very high	106 Å²	106	40 Å²	40	40%	0.4	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	121.6	179.4	-167.6	-170.5	77.3	-114.1	-4.1	109.8	F70 N71 C76 L95 G96	F70-R74 CarbonylContact C-O 3.55Å; F70-R74 VanDerWaalsContact CA-O 3.26Å; F70-R74 WeakPolarHBondContact CA-O 3.34Å; N71-R74 PolarHBondContact N-O 2.97Å; N71-R74 PolarHBondContact O-N 3.15Å; N71-R74 VanDerWaalsContact O-N 3.14Å; R74-C76 PolarHBondContact NH2-SG 3.48Å; R74-C76 VanDerWaalsContact NH2-SG 3.4Å; R74-C76 PolarHBondContact O-N 3.02Å; R74-L95 PolarHBondContact NH2-O 3.36Å; R74-G96 VanDerWaalsContact NH2-CA 3.28Å
75	Y	98.3	Very high	97.8	Very high	30 Å²	30	39.8 Å²	39.8	12%	0.118	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	124.5	170.8	-173.8	-118.5	0	0	0	110.8	I53 P54 K57 Q68 F70 D73 G77 D78	I53-Y75 HydrophobicContact CD1-CE2 4.48Å; I53-Y75 HydrophobicContact CG1-CD2 4.1Å; I53-Y75 HydrophobicContact CG1-CE2 3.77Å; I53-Y75 HydrophobicContact CG2-CE1 4.33Å; P54-Y75 HydrophobicContact CG-CD1 3.87Å; P54-Y75 HydrophobicContact CG-CG 4.38Å; K57-Y75 HydrophobicContact CB-CD1 4.48Å; K57-Y75 HydrophobicContact CB-CE1 3.74Å; K57-Y75 HydrophobicContact CG-CD1 4.35Å; K57-Y75 HydrophobicContact CG-CE1 3.85Å; Q68-Y75 VanDerWaalsContact OE1-CZ 3.32Å; Q68-Y75 PolarHBondContact OE1-OH 3.09Å; F70-Y75 HydrophobicContact CD1-CD2 4.15Å; F70-Y75 HydrophobicContact CD2-CD2 4.22Å; F70-Y75 AromaticContact CE1-CD2 3.64Å; F70-Y75 HydrophobicContact CE1-CD2 3.64Å; F70-Y75 HydrophobicContact CE1-CG 4.17Å; F70-Y75 AromaticContact CE2-CD2 3.74Å; F70-Y75 HydrophobicContact CE2-CD2 3.74Å; F70-Y75 HydrophobicContact CE2-CE2 4.14Å; F70-Y75 HydrophobicContact CG-CD2 4.42Å; F70-Y75 AromaticContact CZ-CD2 3.43Å; F70-Y75 HydrophobicContact CZ-CD2 3.43Å; F70-Y75 VanDerWaalsContact CZ-CD2 3.43Å; F70-Y75 HydrophobicContact CZ-CE2 4.12Å; F70-Y75 HydrophobicContact CZ-CG 4.33Å; D73-Y75 PolarHBondContact O-N 2.82Å; Y75-G77 VanDerWaalsContact CZ-CA 3.49Å; Y75-D78 PolarHBondContact OH-N 3.25Å
76	C	98.2	Very high	97.7	Very high	21 Å²	21	37.5 Å²	37.5	14%	0.142	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	-48.4	174.8	-60.7	0	0	0	0	110.2	I69 R74 F94	I69-C76 HydrophobicContact CB-CB 4.33Å; I69-C76 HydrophobicContact CG2-CB 4.05Å; I69-C76 WeakPolarHBondContact O-CB 3.48Å; I69-C76 PolarHBondContact O-N 3.24Å; R74-C76 PolarHBondContact NH2-SG 3.48Å; R74-C76 VanDerWaalsContact NH2-SG 3.4Å; R74-C76 PolarHBondContact O-N 3.02Å; C76-F94 VanDerWaalsContact C-CE2 3.43Å; C76-F94 HydrophobicContact CB-CD1 4.46Å; C76-F94 HydrophobicContact CB-CE1 3.98Å; C76-F94 HydrophobicContact CB-CE2 4.12Å; C76-F94 HydrophobicContact CB-CZ 3.8Å; C76-F94 WeakPolarHBondContact O-CE2 3.28Å
77	G	98.4	Very high	97.7	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159	-179	180	0	0	0	0	0	113.2	I69 Y75	I69-G77 PolarHBondContact N-O 3.24Å; I69-G77 PolarHBondContact O-N 3.06Å; Y75-G77 VanDerWaalsContact CZ-CA 3.49Å
78	D	98.4	Very high	97.6	Very high	46 Å²	46	46.9 Å²	46.9	25%	0.246	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-169.7	171.9	61.3	2.2	0	0	0	111.3	Y75 D80 S81 F82	Y75-D78 PolarHBondContact OH-N 3.25Å; D78-D80 VanDerWaalsContact C-N 3.35Å; D78-D80 PolarHBondContact O-N 3.26Å; D78-D80 PolarHBondContact OD1-N 3.02Å; D78-S81 WeakPolarHBondContact OD1-CB 3.19Å; D78-S81 PolarHBondContact OD1-N 3.1Å; D78-S81 PolarHBondContact OD1-OG 2.87Å; D78-F82 WeakPolarHBondContact O-CB 3.41Å; D78-F82 PolarHBondContact O-N 3.25Å
79	Y	98.4	Very high	97.3	Very high	41 Å²	41	53.7 Å²	53.7	16%	0.161	27%	0.274	C	S	.	.	H	α-helix	trans	-60.5	-41.5	176.7	180	-95.6	0	0	0	113.2	K19 D22 V23 P67 F82 F83	K19-Y79 HydrophobicContact CB-CD1 4.31Å; K19-Y79 HydrophobicContact CB-CD2 3.52Å; K19-Y79 HydrophobicContact CB-CE2 3.88Å; K19-Y79 HydrophobicContact CB-CG 3.75Å; K19-Y79 HydrophobicContact CD-CD1 3.46Å; K19-Y79 VanDerWaalsContact CD-CD1 3.46Å; K19-Y79 HydrophobicContact CD-CD2 4.23Å; K19-Y79 HydrophobicContact CD-CE1 4.03Å; K19-Y79 HydrophobicContact CD-CG 3.56Å; K19-Y79 VanDerWaalsContact CE-CD1 3.42Å; K19-Y79 HydrophobicContact CG-CD1 3.67Å; K19-Y79 HydrophobicContact CG-CD2 3.79Å; K19-Y79 HydrophobicContact CG-CE1 3.82Å; K19-Y79 HydrophobicContact CG-CE2 3.93Å; K19-Y79 HydrophobicContact CG-CG 3.64Å; K19-Y79 WeakPolarHBondContact O-CD2 3.39Å; D22-Y79 HydrophobicContact CB-CE2 4.15Å; D22-Y79 PolarHBondContact OD2-OH 2.87Å; V23-Y79 HydrophobicContact CG2-CD2 3.95Å; V23-Y79 HydrophobicContact CG2-CE2 4.48Å; P67-Y79 HydrophobicContact CG-CD2 4.18Å; P67-Y79 HydrophobicContact CG-CG 4.48Å; Y79-F82 WeakPolarHBondContact O-CB 3.35Å; Y79-F82 PolarHBondContact O-N 3.42Å; Y79-F83 HydrophobicContact CD1-CB 4.47Å; Y79-F83 HydrophobicContact CE1-CB 4.1Å; Y79-F83 HydrophobicContact CE1-CD2 4.43Å; Y79-F83 HydrophobicContact CE1-CG 4.44Å; Y79-F83 WeakPolarHBondContact O-CB 3.29Å; Y79-F83 PolarHBondContact O-N 2.92Å
80	D	97.8	Very high	97.2	Very high	81 Å²	81	56.7 Å²	56.7	43%	0.433	29%	0.292	S	S	.	.	H	α-helix	trans	-69.2	-42	-172.9	-61.8	-15.8	0	0	0	109.3	K19 D78 F82 F83 E84	K19-D80 IonicContact NZ-OD1 2.89Å; K19-D80 PolarHBondContact NZ-OD1 2.82Å; D78-D80 VanDerWaalsContact C-N 3.35Å; D78-D80 PolarHBondContact O-N 3.26Å; D78-D80 PolarHBondContact OD1-N 3.02Å; D80-F82 VanDerWaalsContact C-N 3.33Å; D80-F82 PolarHBondContact O-N 3.11Å; D80-F83 PolarHBondContact O-N 3.48Å; D80-E84 WeakPolarHBondContact O-CG 3.48Å; D80-E84 PolarHBondContact O-N 2.95Å
81	S	98.1	Very high	97.1	Very high	23 Å²	23	56.9 Å²	56.9	16%	0.161	29%	0.293	C	S	.	.	H	α-helix	trans	-60.4	-41	171.5	-51	0	0	0	0	112.5	D78 S85	D78-S81 WeakPolarHBondContact OD1-CB 3.19Å; D78-S81 PolarHBondContact OD1-N 3.1Å; D78-S81 PolarHBondContact OD1-OG 2.87Å; S81-S85 PolarHBondContact O-N 3.3Å; S81-S85 VanDerWaalsContact O-N 3.12Å
82	F	98.6	Very high	97	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64	-44.1	175	169.7	-97.3	0	0	0	111.7	V23 F26 I69 D78 Y79 D80 S85 K86 V91 F94	V23-F82 HydrophobicContact CB-CE1 4.42Å; V23-F82 HydrophobicContact CG2-CD1 3.69Å; V23-F82 HydrophobicContact CG2-CE1 3.87Å; V23-F82 HydrophobicContact CG2-CG 4.12Å; V23-F82 HydrophobicContact CG2-CZ 4.44Å; F26-F82 HydrophobicContact CB-CZ 3.76Å; F26-F82 AromaticContact CD1-CE2 3.95Å; F26-F82 HydrophobicContact CD1-CE2 3.95Å; F26-F82 AromaticContact CD1-CZ 3.73Å; F26-F82 HydrophobicContact CD1-CZ 3.73Å; F26-F82 HydrophobicContact CD2-CZ 4.36Å; F26-F82 HydrophobicContact CE1-CE2 4.45Å; F26-F82 HydrophobicContact CE1-CZ 4.48Å; F26-F82 HydrophobicContact CG-CE2 4.36Å; F26-F82 AromaticContact CG-CZ 3.68Å; F26-F82 HydrophobicContact CG-CZ 3.68Å; I69-F82 HydrophobicContact CD1-CB 3.92Å; I69-F82 HydrophobicContact CD1-CG 4.4Å; D78-F82 WeakPolarHBondContact O-CB 3.41Å; D78-F82 PolarHBondContact O-N 3.25Å; Y79-F82 WeakPolarHBondContact O-CB 3.35Å; Y79-F82 PolarHBondContact O-N 3.42Å; D80-F82 VanDerWaalsContact C-N 3.33Å; D80-F82 PolarHBondContact O-N 3.11Å; F82-S85 PolarHBondContact O-N 3.09Å; F82-S85 PolarHBondContact O-OG 3.37Å; F82-K86 HydrophobicContact CE1-CD 4.2Å; F82-K86 HydrophobicContact CZ-CD 4.49Å; F82-K86 PolarHBondContact O-N 2.94Å; F82-V91 HydrophobicContact CD2-CG1 4.23Å; F82-V91 HydrophobicContact CE2-CG1 3.77Å; F82-F94 HydrophobicContact CB-CE1 3.99Å; F82-F94 HydrophobicContact CB-CZ 4.03Å; F82-F94 HydrophobicContact CD2-CD1 4.3Å; F82-F94 AromaticContact CD2-CE1 3.95Å; F82-F94 HydrophobicContact CD2-CE1 3.95Å; F82-F94 HydrophobicContact CG-CE1 4.49Å
83	F	98.3	Very high	97	Very high	80 Å²	80	61.9 Å²	61.9	35%	0.351	32%	0.32	S	S	.	.	H	α-helix	trans	-61.6	-47.6	179.3	-178.2	-97.3	0	0	0	111.2	Y79 D80 S85 K86 E87	Y79-F83 HydrophobicContact CD1-CB 4.47Å; Y79-F83 HydrophobicContact CE1-CB 4.1Å; Y79-F83 HydrophobicContact CE1-CD2 4.43Å; Y79-F83 HydrophobicContact CE1-CG 4.44Å; Y79-F83 WeakPolarHBondContact O-CB 3.29Å; Y79-F83 PolarHBondContact O-N 2.92Å; D80-F83 PolarHBondContact O-N 3.48Å; F83-S85 VanDerWaalsContact C-N 3.27Å; F83-S85 PolarHBondContact O-N 3.47Å; F83-K86 WeakPolarHBondContact O-CA 3.24Å; F83-K86 WeakPolarHBondContact O-CB 3.46Å; F83-K86 PolarHBondContact O-N 3.32Å; F83-E87 HydrophobicContact CD1-CG 4.33Å; F83-E87 HydrophobicContact CE1-CG 3.89Å; F83-E87 VanDerWaalsContact CE1-OE2 3.25Å; F83-E87 WeakPolarHBondContact CE1-OE2 3.41Å; F83-E87 HydrophobicContact CZ-CG 4.02Å; F83-E87 PolarHBondContact O-N 3.47Å
84	E	98.3	Very high	97.1	Very high	124 Å²	124	57.6 Å²	57.6	58%	0.579	30%	0.296	S	S	*	.	H	α-helix	trans	-56.4	-41.4	173.9	-71.9	176.2	-174.8	0	0	112	D80 K86 E87 S88	D80-E84 WeakPolarHBondContact O-CG 3.48Å; D80-E84 PolarHBondContact O-N 2.95Å; E84-K86 VanDerWaalsContact C-N 3.32Å; E84-K86 PolarHBondContact O-N 2.88Å; E84-E87 PolarHBondContact O-N 3.44Å; E84-S88 WeakPolarHBondContact O-CB 3.4Å; E84-S88 PolarHBondContact O-N 3.24Å; E84-S88 PolarHBondContact O-OG 3.49Å
85	S	97.8	Very high	97.1	Very high	6 Å²	6	52.6 Å²	52.6	4%	0.042	28%	0.277	C	S	.	.	H	α-helix	trans	-68.3	-31.2	177	80.9	0	0	0	0	113	S81 F82 F83 S88 N89 T90 V91	S81-S85 PolarHBondContact O-N 3.3Å; S81-S85 VanDerWaalsContact O-N 3.12Å; F82-S85 PolarHBondContact O-N 3.09Å; F82-S85 PolarHBondContact O-OG 3.37Å; F83-S85 VanDerWaalsContact C-N 3.27Å; F83-S85 PolarHBondContact O-N 3.47Å; S85-S88 PolarHBondContact O-N 2.96Å; S85-N89 PolarHBondContact O-N 3.37Å; S85-T90 PolarHBondContact O-N 3.22Å; S85-T90 PolarHBondContact O-OG1 2.93Å; S85-V91 PolarHBondContact O-N 3.42Å
86	K	95.7	Very high	97	Very high	63 Å²	63	53 Å²	53	27%	0.274	29%	0.291	S	S	.	.	H	α-helix	trans	-69.6	-44.9	175.1	-174.9	176.5	173.6	179.8	0	110.6	D22 F26 F82 F83 E84 S88 N89 V91	D22-K86 VanDerWaalsContact CG-NZ 3.28Å; D22-K86 IonicContact OD1-NZ 2.95Å; D22-K86 PolarHBondContact OD1-NZ 3.48Å; D22-K86 IonicContact OD2-NZ 2.87Å; D22-K86 PolarHBondContact OD2-NZ 3.38Å; F26-K86 HydrophobicContact CD2-CD 4.04Å; F26-K86 HydrophobicContact CD2-CG 4.35Å; F26-K86 HydrophobicContact CE2-CD 4.26Å; F26-K86 HydrophobicContact CE2-CG 4.06Å; F82-K86 HydrophobicContact CE1-CD 4.2Å; F82-K86 HydrophobicContact CZ-CD 4.49Å; F82-K86 PolarHBondContact O-N 2.94Å; F83-K86 WeakPolarHBondContact O-CA 3.24Å; F83-K86 WeakPolarHBondContact O-CB 3.46Å; F83-K86 PolarHBondContact O-N 3.32Å; E84-K86 VanDerWaalsContact C-N 3.32Å; E84-K86 PolarHBondContact O-N 2.88Å; K86-S88 VanDerWaalsContact C-N 3.26Å; K86-S88 PolarHBondContact O-N 3.33Å; K86-N89 PolarHBondContact O-N 3.35Å; K86-V91 HydrophobicContact CB-CG2 4.01Å
87	E	97	Very high	96.7	Very high	133 Å²	133	54.3 Å²	54.3	62%	0.621	30%	0.296	S	S	*	.	H	α-helix	trans	-62.8	-34.9	174.2	-66.8	-166	122.4	0	0	112.1	F83 E84 N89	F83-E87 HydrophobicContact CD1-CG 4.33Å; F83-E87 HydrophobicContact CE1-CG 3.89Å; F83-E87 VanDerWaalsContact CE1-OE2 3.25Å; F83-E87 WeakPolarHBondContact CE1-OE2 3.41Å; F83-E87 HydrophobicContact CZ-CG 4.02Å; F83-E87 PolarHBondContact O-N 3.47Å; E84-E87 PolarHBondContact O-N 3.44Å; E87-N89 VanDerWaalsContact C-N 3.35Å
88	S	96.1	Very high	96.1	Very high	77 Å²	77	63.3 Å²	63.3	54%	0.538	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-1.6	179	-56.7	0	0	0	0	114.3	E84 S85 K86 T90	E84-S88 WeakPolarHBondContact O-CB 3.4Å; E84-S88 PolarHBondContact O-N 3.24Å; E84-S88 PolarHBondContact O-OG 3.49Å; S85-S88 PolarHBondContact O-N 2.96Å; K86-S88 VanDerWaalsContact C-N 3.26Å; K86-S88 PolarHBondContact O-N 3.33Å; S88-T90 PolarHBondContact O-N 2.96Å
89	N	93.4	Very high	94.9	Very high	153 Å²	153	65.5 Å²	65.5	82%	0.818	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	30.8	-171.4	-66.7	-72.5	0	0	0	114.4	S85 K86 E87	S85-N89 PolarHBondContact O-N 3.37Å; K86-N89 PolarHBondContact O-N 3.35Å; E87-N89 VanDerWaalsContact C-N 3.35Å
90	T	95.8	Very high	93.3	Very high	64 Å²	64	69.6 Å²	69.6	39%	0.393	37%	0.367	S	S	.	.			trans	-109.7	14.7	-178.4	54.5	0	0	0	0	113.5	S85 S88 F92 S93 F94	S85-T90 PolarHBondContact O-N 3.22Å; S85-T90 PolarHBondContact O-OG1 2.93Å; S88-T90 PolarHBondContact O-N 2.96Å; T90-F92 VanDerWaalsContact C-N 3.28Å; T90-F92 PolarHBondContact O-N 2.94Å; T90-S93 WeakPolarHBondContact O-CA 3.3Å; T90-S93 WeakPolarHBondContact O-CB 3.49Å; T90-S93 PolarHBondContact O-N 3.36Å; T90-F94 PolarHBondContact O-N 2.89Å
91	V	96.6	Very high	91.2	Very high	4 Å²	4	71.3 Å²	71.3	2%	0.024	38%	0.382	C	S	.	.	H	α-helix	trans	-54	-40.4	-176.3	-175.2	0	0	0	0	113	F26 F82 S85 K86 S93 F94 L95	F26-V91 HydrophobicContact CD1-CG1 4.24Å; F26-V91 HydrophobicContact CE1-CB 3.94Å; F26-V91 HydrophobicContact CE1-CG1 3.52Å; F26-V91 HydrophobicContact CE1-CG2 3.98Å; F26-V91 HydrophobicContact CE2-CG2 4.49Å; F26-V91 HydrophobicContact CZ-CB 4.04Å; F26-V91 HydrophobicContact CZ-CG1 4.13Å; F26-V91 HydrophobicContact CZ-CG2 3.72Å; F82-V91 HydrophobicContact CD2-CG1 4.23Å; F82-V91 HydrophobicContact CE2-CG1 3.77Å; S85-V91 PolarHBondContact O-N 3.42Å; K86-V91 HydrophobicContact CB-CG2 4.01Å; V91-S93 VanDerWaalsContact C-N 3.33Å; V91-S93 PolarHBondContact O-N 3.03Å; V91-F94 WeakPolarHBondContact O-CB 3.13Å; V91-F94 PolarHBondContact O-N 3.44Å; V91-L95 HydrophobicContact CG1-CD1 3.86Å; V91-L95 HydrophobicContact CG1-CG 4.14Å; V91-L95 WeakPolarHBondContact O-CB 3.49Å; V91-L95 VanDerWaalsContact O-CG 3.26Å; V91-L95 WeakPolarHBondContact O-CG 3.48Å; V91-L95 PolarHBondContact O-N 2.93Å
92	F	94.9	Very high	89	Confident	44 Å²	44	74.5 Å²	74.5	19%	0.193	41%	0.41	C	S	.	.	H	α-helix	trans	-61.1	-42.7	177.5	-76.2	-95.4	0	0	0	111.7	I32 T90 L95 G96 L97 R100	I32-F92 HydrophobicContact CD1-CE1 4.15Å; I32-F92 HydrophobicContact CD1-CZ 4.04Å; I32-F92 HydrophobicContact CG1-CE1 4.17Å; I32-F92 HydrophobicContact CG1-CZ 4.24Å; T90-F92 VanDerWaalsContact C-N 3.28Å; T90-F92 PolarHBondContact O-N 2.94Å; F92-L95 CarbonylContact O-C 3.52Å; F92-L95 PolarHBondContact O-N 2.9Å; F92-G96 PolarHBondContact O-N 3.23Å; F92-G96 VanDerWaalsContact O-N 3.08Å; F92-L97 HydrophobicContact CD1-CB 4.18Å; F92-L97 PolarHBondContact O-N 3.23Å; F92-R100 HydrophobicContact CE1-CG 4.33Å
93	S	95.7	Very high	86.6	Confident	81 Å²	81	79.5 Å²	79.5	57%	0.566	45%	0.445	S	S	*	.	H	α-helix	trans	-67.4	-40.8	175.2	-56.6	0	0	0	0	112.1	T90 V91 L95 G96	T90-S93 WeakPolarHBondContact O-CA 3.3Å; T90-S93 WeakPolarHBondContact O-CB 3.49Å; T90-S93 PolarHBondContact O-N 3.36Å; V91-S93 VanDerWaalsContact C-N 3.33Å; V91-S93 PolarHBondContact O-N 3.03Å; S93-L95 VanDerWaalsContact C-N 3.31Å; S93-L95 PolarHBondContact O-N 3.44Å; S93-G96 WeakPolarHBondContact O-CA 2.77Å; S93-G96 PolarHBondContact O-N 3.26Å
94	F	97.1	Very high	84.2	Confident	31 Å²	31	82.7 Å²	82.7	14%	0.136	47%	0.471	C	S	.	.	H	α-helix	trans	-56.5	-44.8	173.3	165	-98.9	0	0	0	111.6	I69 C76 F82 T90 V91 G96	I69-F94 HydrophobicContact CB-CE1 4.4Å; I69-F94 HydrophobicContact CB-CZ 4.48Å; I69-F94 HydrophobicContact CD1-CE1 4.27Å; I69-F94 HydrophobicContact CD1-CZ 4.22Å; I69-F94 HydrophobicContact CG2-CE1 4.27Å; C76-F94 VanDerWaalsContact C-CE2 3.43Å; C76-F94 HydrophobicContact CB-CD1 4.46Å; C76-F94 HydrophobicContact CB-CE1 3.98Å; C76-F94 HydrophobicContact CB-CE2 4.12Å; C76-F94 HydrophobicContact CB-CZ 3.8Å; C76-F94 WeakPolarHBondContact O-CE2 3.28Å; F82-F94 HydrophobicContact CB-CE1 3.99Å; F82-F94 HydrophobicContact CB-CZ 4.03Å; F82-F94 HydrophobicContact CD2-CD1 4.3Å; F82-F94 AromaticContact CD2-CE1 3.95Å; F82-F94 HydrophobicContact CD2-CE1 3.95Å; F82-F94 HydrophobicContact CG-CE1 4.49Å; T90-F94 PolarHBondContact O-N 2.89Å; V91-F94 WeakPolarHBondContact O-CB 3.13Å; V91-F94 PolarHBondContact O-N 3.44Å; F94-G96 PolarHBondContact O-N 3.4Å
95	L	97	Very high	81.8	Confident	1 Å²	1	79.8 Å²	79.8	1%	0.005	48%	0.475	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-7.4	174.7	-61.8	174.5	0	0	0	112.7	V3 L27 I32 I69 N71 R74 V91 F92 S93 L97	V3-L95 HydrophobicContact CG1-CD2 4.03Å; V3-L95 HydrophobicContact CG2-CB 4.35Å; V3-L95 HydrophobicContact CG2-CD1 4.43Å; V3-L95 HydrophobicContact CG2-CD2 4.31Å; L27-L95 HydrophobicContact CD2-CD1 3.65Å; I32-L95 HydrophobicContact CD1-CD1 3.89Å; I32-L95 HydrophobicContact CG2-CD1 4.32Å; I69-L95 HydrophobicContact CG2-CD2 3.59Å; N71-L95 WeakPolarHBondContact CB-O 3.47Å; N71-L95 PolarHBondContact ND2-O 2.52Å; R74-L95 PolarHBondContact NH2-O 3.36Å; V91-L95 HydrophobicContact CG1-CD1 3.86Å; V91-L95 HydrophobicContact CG1-CG 4.14Å; V91-L95 WeakPolarHBondContact O-CB 3.49Å; V91-L95 VanDerWaalsContact O-CG 3.26Å; V91-L95 WeakPolarHBondContact O-CG 3.48Å; V91-L95 PolarHBondContact O-N 2.93Å; F92-L95 CarbonylContact O-C 3.52Å; F92-L95 PolarHBondContact O-N 2.9Å; S93-L95 VanDerWaalsContact C-N 3.31Å; S93-L95 PolarHBondContact O-N 3.44Å; L95-L97 HydrophobicContact CB-CD1 3.91Å; L95-L97 HydrophobicContact CB-CG 3.8Å; L95-L97 HydrophobicContact CD1-CD1 3.98Å; L95-L97 PolarHBondContact O-N 2.64Å
96	G	95.1	Very high	79	Confident	40 Å²	40	87.3 Å²	87.3	41%	0.412	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	33.6	-173.7	0	0	0	0	0	112.9	R74 F92 S93 F94	R74-G96 VanDerWaalsContact NH2-CA 3.28Å; F92-G96 PolarHBondContact O-N 3.23Å; F92-G96 VanDerWaalsContact O-N 3.08Å; S93-G96 WeakPolarHBondContact O-CA 2.77Å; S93-G96 PolarHBondContact O-N 3.26Å; F94-G96 PolarHBondContact O-N 3.4Å
97	L	92.9	Very high	76.3	Confident	48 Å²	48	93 Å²	93	25%	0.251	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-94.9	149.1	172.6	-59.1	177.8	0	0	0	108.9	V3 I32 F92 L95	V3-L97 HydrophobicContact CG2-CD1 4.19Å; V3-L97 HydrophobicContact CG2-CD2 4.45Å; I32-L97 HydrophobicContact CG2-CD1 3.66Å; F92-L97 HydrophobicContact CD1-CB 4.18Å; F92-L97 PolarHBondContact O-N 3.23Å; L95-L97 HydrophobicContact CB-CD1 3.91Å; L95-L97 HydrophobicContact CB-CG 3.8Å; L95-L97 HydrophobicContact CD1-CD1 3.98Å; L95-L97 PolarHBondContact O-N 2.64Å
98	K	85.9	Confident	73.9	Confident	190 Å²	190	94.5 Å²	94.5	83%	0.826	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-63.7	134.2	169.4	-66.9	-176.3	179.4	176.1	0	108	R100	K98-R100 PolarHBondContact O-N 3.45Å
99	P	72.3	Confident	71.5	Confident	92 Å²	92	100.5 Å²	100.5	60%	0.597	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-52.2	131.5	169.4	-21	30.6	0	0	0	107.9
100	R	65.4	Low	68.7	Low	127 Å²	127	96.4 Å²	96.4	48%	0.479	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-59.6	131.4	167.3	-77.2	-146.3	-73.7	-114	-5.4	106.7	N30 K31 F92 K98 A102	N30-R100 PolarHBondContact O-NH1 3.37Å; N30-R100 PolarHBondContact O-NH2 3.14Å; K31-R100 PolarHBondContact O-NH1 3.48Å; F92-R100 HydrophobicContact CE1-CG 4.33Å; K98-R100 PolarHBondContact O-N 3.45Å; R100-A102 PolarHBondContact O-N 3.25Å
101	P	54.1	Low	66.5	Low	116 Å²	116	102.5 Å²	102.5	75%	0.753	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-53.2	122.8	167.3	22.4	-29.3	0	0	0	105.6	S103	P101-S103 PolarHBondContact O-N 3.11Å
102	A	51	Low	63.8	Low	91 Å²	91	110 Å²	110	75%	0.752	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-47.9	116.3	-176.2	0	0	0	0	0	107.7	R100 T104	R100-A102 PolarHBondContact O-N 3.25Å; A102-T104 VanDerWaalsContact C-N 3.27Å; A102-T104 PolarHBondContact O-N 3.31Å
103	S	48.8	Very low	61.2	Low	105 Å²	105	113.2 Å²	113.2	73%	0.734	65%	0.649	S	S	*	*			trans	-59.5	101.9	168.4	-41.8	0	0	0	0	105.1	P101 G105	P101-S103 PolarHBondContact O-N 3.11Å; S103-G105 PolarHBondContact O-N 3.25Å
104	T	47.5	Very low	58.7	Low	147 Å²	147	118.6 Å²	118.6	90%	0.902	67%	0.665	S	S	*	*			trans	-49.7	108.1	171.9	38.2	0	0	0	0	108	A102	A102-T104 VanDerWaalsContact C-N 3.27Å; A102-T104 PolarHBondContact O-N 3.31Å
105	G	48.5	Very low	56.2	Low	63 Å²	63	122.7 Å²	122.7	65%	0.649	70%	0.697	S	S	*	*			trans	-170.9	46.5	-169.4	0	0	0	0	0	113.4	S103	S103-G105 PolarHBondContact O-N 3.25Å
106	L	39.4	Very low	53.9	Low	164 Å²	164	131.7 Å²	131.7	86%	0.859	74%	0.736	S	S	*	*			trans	167.2	76.4	142.7	-89.1	156.4	0	0	0	107.7	L108	L106-L108 PolarHBondContact O-N 3.29Å
107	H	39	Very low	51.7	Low	183 Å²	183	134.5 Å²	134.5	85%	0.847	76%	0.756	S	S	*	*			trans	-61.2	106.1	156.1	-143.7	83.7	0	0	0	105.6	K109	H107-K109 PolarHBondContact O-N 3.44Å
108	L	45.6	Very low	49.4	Very low	164 Å²	164	136.6 Å²	136.6	86%	0.859	78%	0.78	S	S	*	*			trans	-57.7	94.5	163.4	-80.8	155.3	0	0	0	106.8	L106 G110	L106-L108 PolarHBondContact O-N 3.29Å; L108-G110 PolarHBondContact O-N 3.02Å
109	K	45	Very low	47.3	Very low	203 Å²	203	130.9 Å²	130.9	88%	0.883	78%	0.775	S	S	*	*			trans	-66.2	84.9	159.5	-87	177.9	165.3	179	0	106.9	H107	H107-K109 PolarHBondContact O-N 3.44Å
110	G	36	Very low	46.5	Very low	66 Å²	66	136.5 Å²	136.5	68%	0.68	81%	0.811	S	S	*	*			trans	-107.3	105	164.6	0	0	0	0	0	108.4	L108	L108-G110 PolarHBondContact O-N 3.02Å
111	Q	49.6	Very low	45.5	Very low	193 Å²	193	137 Å²	137	90%	0.902	83%	0.828	S	S	*	*			trans	-49.3	132.6	175.2	-70.8	161.6	1.8	0	0	112
112	L	39.1	Very low	45.1	Very low	160 Å²	160	138.1 Å²	138.1	84%	0.838	83%	0.832	S	S	*	*			trans	-141	111.1	151.1	-96	154.4	0	0	0	109.4
113	T	40.3	Very low	44.7	Very low	112 Å²	112	140.7 Å²	140.7	69%	0.687	84%	0.836	S	S	*	*			trans	69	94.7	152.3	70.3	0	0	0	0	119.7	S115	T113-S115 PolarHBondContact O-N 3.3Å
114	Q	42.9	Very low	44.5	Very low	194 Å²	194	142.8 Å²	142.8	91%	0.907	84%	0.842	S	S	*	*			trans	-62.9	111.8	139.2	-93.5	177.2	14.3	0	0	108.1	K116	Q114-K116 PolarHBondContact O-N 3.33Å; Q114-K116 VanDerWaalsContact O-N 3.15Å
115	S	45.4	Very low	44.3	Very low	117 Å²	117	142.5 Å²	142.5	82%	0.818	84%	0.839	S	S	*	*			trans	-72	101.4	159.1	-73.6	0	0	0	0	108.2	T113 A117	T113-S115 PolarHBondContact O-N 3.3Å; S115-A117 PolarHBondContact O-N 3.24Å
116	K	47.6	Very low	44	Very low	190 Å²	190	147.8 Å²	147.8	83%	0.826	85%	0.851	S	S	*	*			trans	-67.8	111.4	165.8	-177.2	175.1	177.5	-177.8	0	108.1	Q114 A118	Q114-K116 PolarHBondContact O-N 3.33Å; Q114-K116 VanDerWaalsContact O-N 3.15Å; K116-A118 PolarHBondContact O-N 3.47Å
117	A	50.3	Low	44.4	Very low	100 Å²	100	146.6 Å²	146.6	83%	0.826	85%	0.851	S	S	*	*			trans	-65.2	123	160.4	0	0	0	0	0	108.8	S115	S115-A117 PolarHBondContact O-N 3.24Å
118	A	44.1	Very low	44.8	Very low	91 Å²	91	143.8 Å²	143.8	75%	0.752	85%	0.851	S	S	*	*			trans	-171.6	107.8	154.2	0	0	0	0	0	108.5	K116	K116-A118 PolarHBondContact O-N 3.47Å
119	G	42.7	Very low	44.7	Very low	70 Å²	70	142.2 Å²	142.2	72%	0.722	85%	0.85	S	S	*	*			trans	-143.1	147.1	165.6	0	0	0	0	0	108.4
120	P	53.8	Low	44.7	Very low	210 Å²	210	136.6 Å²	136.6	100%	1.364	85%	0.847	S	S	*	*			trans	-71.6	0	-139.8	28.8	-37.6	0	0	0	116.5

Retrieved 120 of 120 residues in 214.1 ms (Link to these results)

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