X5J5E8_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5E8, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 94 aa.

						>X5J5E8_MOUSE|X5J5E8
VKLLQSGPGLVQPSQSLSITCTVSGFSLTSYGVHWVRQSPGKGLEWLGVIWRGGSTDYNAAFMSRLSITKDNSKSQVFFKMNSLQADDTAIYYC
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	V	89	Confident	92.5	Very high	132 Å²	132	90.3 Å²	90.3	80%	0.8	55%	0.551	S	S	*	*				0	143.9	0	89.9	0	0	0	0	108.4	S24 F26	V1-S24 CarbonylContact C-O 3.57Å; V1-F26 HydrophobicContact CG2-CB 4.42Å; V1-F26 HydrophobicContact CG2-CD1 3.19Å; V1-F26 HydrophobicContact CG2-CE1 3.63Å; V1-F26 HydrophobicContact CG2-CG 4.11Å
2	K	94.7	Very high	92.2	Very high	157 Å²	157	92.8 Å²	92.8	68%	0.683	55%	0.552	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-135.5	139.2	170.5	-53	177.7	178.2	180	0	109.7	S24	K2-S24 WeakPolarHBondContact CB-OG 3.43Å; K2-S24 PolarHBondContact N-O 2.92Å; K2-S24 PolarHBondContact O-N 3.46Å
3	L	96	Very high	92	Very high	61 Å²	61	91.4 Å²	91.4	32%	0.319	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	122.3	179.7	-61.3	176.8	0	0	0	107.2	V23 F26 C94	L3-V23 HydrophobicContact CD2-CB 3.97Å; L3-V23 HydrophobicContact CD2-CG1 3.51Å; L3-F26 HydrophobicContact CD2-CE1 3.76Å; L3-F26 HydrophobicContact CD2-CZ 4.17Å; L3-C94 WeakPolarHBondContact CD1-O 3.44Å
4	L	96.8	Very high	92	Very high	117 Å²	117	92.1 Å²	92.1	61%	0.613	56%	0.558	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-120.9	111.1	-177.8	180	65.1	0	0	0	109.7	C21 T22	L4-C21 WeakPolarHBondContact O-CA 3.4Å; L4-T22 PolarHBondContact N-O 2.87Å; L4-T22 PolarHBondContact O-N 2.84Å
5	Q	96	Very high	92.1	Very high	66 Å²	66	92.9 Å²	92.9	31%	0.308	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.5	137.9	175.5	-49.7	82.5	-6.5	0	0	109.9	I19 T20 C94	Q5-I19 HydrophobicContact CB-CG2 4.17Å; Q5-T20 CarbonylContact C-O 3.55Å; Q5-T20 WeakPolarHBondContact CA-O 3.47Å; Q5-C94 PolarHBondContact NE2-OXT 3.49Å
6	S	95.8	Very high	92.2	Very high	61 Å²	61	90.4 Å²	90.4	43%	0.427	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	138.5	174.2	59.5	0	0	0	0	108.8	I19 T20	S6-I19 CarbonylContact O-C 3.56Å; S6-I19 WeakPolarHBondContact O-CA 3.37Å; S6-I19 WeakPolarHBondContact O-CG2 3.35Å; S6-T20 PolarHBondContact N-O 2.81Å; S6-T20 PolarHBondContact O-N 2.99Å; S6-T20 PolarHBondContact OG-O 3Å
7	G	92.4	Very high	92.4	Very high	52 Å²	52	86 Å²	86	54%	0.536	52%	0.515	S	S	.	.			trans	179.5	177.6	-175.3	0	0	0	0	0	111.3
8	P	87.9	Confident	92.6	Very high	65 Å²	65	84.8 Å²	84.8	42%	0.422	51%	0.512	S	S	.	.			trans	-67.9	141.8	175.9	30.7	-34.2	0	0	0	110.3	V11 L17 S18	P8-V11 HydrophobicContact CB-CG2 3.73Å; P8-V11 HydrophobicContact CG-CG2 3.49Å; P8-V11 VanDerWaalsContact CG-CG2 3.49Å; P8-L17 HydrophobicContact CG-CD1 3.65Å; P8-S18 WeakPolarHBondContact CD-O 3.39Å
9	G	86.9	Confident	92.8	Very high	89 Å²	89	81.2 Å²	81.2	92%	0.918	49%	0.489	S	S	*	.	S	Bend	trans	-75.4	-54.5	178	0	0	0	0	0	113
10	L	89.3	Confident	93.1	Very high	158 Å²	158	78.7 Å²	78.7	83%	0.827	47%	0.474	S	S	*	.			trans	-117.4	130.3	178.6	-174.1	68.5	0	0	0	109.7
11	V	92.3	Very high	93.3	Very high	35 Å²	35	74.9 Å²	74.9	21%	0.212	45%	0.451	C	S	.	.			trans	-131.8	138.5	178.3	-172.4	0	0	0	0	108.4	P8 Q15 L17 L84	P8-V11 HydrophobicContact CB-CG2 3.73Å; P8-V11 HydrophobicContact CG-CG2 3.49Å; P8-V11 VanDerWaalsContact CG-CG2 3.49Å; V11-Q15 HydrophobicContact CG1-CB 3.7Å; V11-L17 HydrophobicContact CG2-CD1 4.14Å; V11-L84 HydrophobicContact CB-CD1 3.73Å; V11-L84 HydrophobicContact CG1-CD1 3.43Å; V11-L84 VanDerWaalsContact CG1-CD1 3.43Å
12	Q	89.4	Confident	93.8	Very high	120 Å²	120	70.9 Å²	70.9	56%	0.561	43%	0.427	S	S	*	.			trans	-75.5	153.9	-178.9	-67.3	-72.2	-6.9	0	0	111.4	Q15	Q12-Q15 HydrophobicContact CB-CG 4.15Å; Q12-Q15 VanDerWaalsContact N-OE1 3.13Å; Q12-Q15 WeakPolarHBondContact O-CB 3.18Å; Q12-Q15 PolarHBondContact O-N 3.23Å
13	P	89.7	Confident	93.9	Very high	75 Å²	75	63.6 Å²	63.6	49%	0.487	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	152.5	170.2	-25	34.6	0	0	0	112.2	Q15 L84	P13-Q15 PolarHBondContact O-N 3.29Å; P13-L84 WeakPolarHBondContact CA-O 3.5Å
14	S	91.2	Very high	93.9	Very high	101 Å²	101	63.5 Å²	63.5	71%	0.706	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	-10.1	-174.8	-48.6	0	0	0	0	116.1	L84	S14-L84 PolarHBondContact N-O 2.93Å
15	Q	93.8	Very high	93.8	Very high	104 Å²	104	61.6 Å²	61.6	49%	0.486	41%	0.409	S	S	.	.	S	Bend	trans	-79.9	177.7	171.1	-61.1	-173.4	-35.4	0	0	111.4	V11 Q12 P13 S83 L84	V11-Q15 HydrophobicContact CG1-CB 3.7Å; Q12-Q15 HydrophobicContact CB-CG 4.15Å; Q12-Q15 VanDerWaalsContact N-OE1 3.13Å; Q12-Q15 WeakPolarHBondContact O-CB 3.18Å; Q12-Q15 PolarHBondContact O-N 3.23Å; P13-Q15 PolarHBondContact O-N 3.29Å; Q15-S83 PolarHBondContact O-N 2.89Å; Q15-L84 WeakPolarHBondContact O-CG 3.35Å; Q15-L84 PolarHBondContact O-N 2.84Å
16	S	94.4	Very high	93.7	Very high	54 Å²	54	60.6 Å²	60.6	38%	0.378	40%	0.403	S	S	.	.			trans	-105.3	133.8	176.2	-54.4	0	0	0	0	111	M81 N82	S16-M81 CarbonylContact C-O 3.51Å; S16-M81 VanDerWaalsContact CA-O 3.25Å; S16-M81 WeakPolarHBondContact CA-O 3.44Å; S16-N82 PolarHBondContact OG-OD1 2.8Å
17	L	94.8	Very high	93.7	Very high	15 Å²	15	60.1 Å²	60.1	8%	0.079	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	132.1	169.1	174.5	59.7	0	0	0	109	P8 V11 I19 F79 K80 M81 L84 Y92	P8-L17 HydrophobicContact CG-CD1 3.65Å; V11-L17 HydrophobicContact CG2-CD1 4.14Å; L17-I19 HydrophobicContact CD1-CD1 4.31Å; L17-I19 HydrophobicContact CD1-CG1 3.9Å; L17-I19 HydrophobicContact CD2-CD1 4Å; L17-I19 HydrophobicContact CD2-CG1 4.34Å; L17-I19 HydrophobicContact CG-CD1 4.17Å; L17-I19 HydrophobicContact CG-CG1 3.94Å; L17-F79 HydrophobicContact CD2-CE1 4.49Å; L17-K80 CarbonylContact O-C 3.52Å; L17-K80 VanDerWaalsContact O-CA 3.25Å; L17-K80 WeakPolarHBondContact O-CA 3.44Å; L17-M81 HydrophobicContact CB-CB 4.48Å; L17-M81 PolarHBondContact N-O 2.79Å; L17-M81 PolarHBondContact O-N 3.27Å; L17-L84 HydrophobicContact CB-CD1 3.81Å; L17-L84 HydrophobicContact CB-CD2 3.89Å; L17-L84 HydrophobicContact CB-CG 4.22Å; L17-L84 HydrophobicContact CD2-CD2 4.38Å; L17-Y92 HydrophobicContact CD2-CD2 4.23Å; L17-Y92 HydrophobicContact CD2-CE1 4.27Å; L17-Y92 HydrophobicContact CD2-CE2 3.79Å
18	S	96.1	Very high	93.9	Very high	64 Å²	64	57.8 Å²	57.8	45%	0.448	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	121.8	171	-68.5	0	0	0	0	109.6	P8 F79	P8-S18 WeakPolarHBondContact CD-O 3.39Å; S18-F79 CarbonylContact C-O 3.55Å; S18-F79 WeakPolarHBondContact CA-O 3.31Å
19	I	97.4	Very high	94.3	Very high	16 Å²	16	58.5 Å²	58.5	8%	0.082	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	134.9	177.4	-52.1	177.1	0	0	0	108.6	Q5 S6 L17 W35 F78 F79 Y92	Q5-I19 HydrophobicContact CB-CG2 4.17Å; S6-I19 CarbonylContact O-C 3.56Å; S6-I19 WeakPolarHBondContact O-CA 3.37Å; S6-I19 WeakPolarHBondContact O-CG2 3.35Å; L17-I19 HydrophobicContact CD1-CD1 4.31Å; L17-I19 HydrophobicContact CD1-CG1 3.9Å; L17-I19 HydrophobicContact CD2-CD1 4Å; L17-I19 HydrophobicContact CD2-CG1 4.34Å; L17-I19 HydrophobicContact CG-CD1 4.17Å; L17-I19 HydrophobicContact CG-CG1 3.94Å; I19-W35 HydrophobicContact CB-CH2 4.08Å; I19-W35 HydrophobicContact CB-CZ3 4.2Å; I19-W35 HydrophobicContact CG2-CH2 3.74Å; I19-W35 HydrophobicContact CG2-CZ3 3.83Å; I19-F78 WeakPolarHBondContact O-CA 3.44Å; I19-F79 HydrophobicContact CB-CB 4.47Å; I19-F79 HydrophobicContact CB-CD1 4.44Å; I19-F79 HydrophobicContact CD1-CD1 4.19Å; I19-F79 HydrophobicContact CG1-CD1 4.32Å; I19-F79 PolarHBondContact N-O 2.87Å; I19-F79 PolarHBondContact O-N 2.85Å; I19-Y92 HydrophobicContact CD1-CD1 4.05Å; I19-Y92 HydrophobicContact CD1-CD2 4.03Å; I19-Y92 HydrophobicContact CD1-CG 3.56Å
20	T	98.3	Very high	94.8	Very high	31 Å²	31	57 Å²	57	19%	0.19	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	125.7	172.5	-57.6	0	0	0	0	109.4	Q5 S6 Q76 F78	Q5-T20 CarbonylContact C-O 3.55Å; Q5-T20 WeakPolarHBondContact CA-O 3.47Å; S6-T20 PolarHBondContact N-O 2.81Å; S6-T20 PolarHBondContact O-N 2.99Å; S6-T20 PolarHBondContact OG-O 3Å; T20-Q76 HydrophobicContact CG2-CB 4.21Å; T20-Q76 HydrophobicContact CG2-CG 3.94Å; T20-F78 HydrophobicContact CG2-CD1 3.97Å; T20-F78 HydrophobicContact CG2-CE1 3.69Å; T20-F78 WeakPolarHBondContact OG1-CD1 3.44Å
21	C	98.1	Very high	95	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	114.2	168.7	179.2	0	0	0	0	109.4	L4 W35 Q76 V77 C94	L4-C21 WeakPolarHBondContact O-CA 3.4Å; C21-W35 HydrophobicContact CB-CH2 3.63Å; C21-W35 HydrophobicContact CB-CZ2 3.58Å; C21-Q76 CarbonylContact O-C 3.56Å; C21-Q76 VanDerWaalsContact O-CA 3.31Å; C21-Q76 WeakPolarHBondContact O-CA 3.23Å; C21-V77 HydrophobicContact CB-CB 4.25Å; C21-V77 PolarHBondContact N-O 3.09Å; C21-V77 PolarHBondContact O-N 2.83Å; C21-C94 HydrophobicContact CB-CB 3.58Å; C21-C94 WeakPolarHBondContact CB-SG 3.39Å; C21-C94 WeakPolarHBondContact SG-CB 3.17Å; C21-C94 CovalentContact SG-SG 2.02Å; C21-C94 PolarHBondContact SG-SG 2.93Å
22	T	98.1	Very high	95.2	Very high	47 Å²	47	56.3 Å²	56.3	29%	0.288	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	125.3	172.2	-57.2	0	0	0	0	109.1	L4 Q76	L4-T22 PolarHBondContact N-O 2.87Å; L4-T22 PolarHBondContact O-N 2.84Å; T22-Q76 HydrophobicContact CG2-CG 4.43Å; T22-Q76 PolarHBondContact OG1-NE2 3.16Å
23	V	97.2	Very high	95.6	Very high	5 Å²	5	50.9 Å²	50.9	3%	0.03	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	141.8	-176.1	-50.7	0	0	0	0	111.6	L3 F26 L28 V33 S75	L3-V23 HydrophobicContact CD2-CB 3.97Å; L3-V23 HydrophobicContact CD2-CG1 3.51Å; V23-F26 HydrophobicContact CB-CD1 4.31Å; V23-F26 HydrophobicContact CB-CE1 3.56Å; V23-F26 HydrophobicContact CB-CZ 3.79Å; V23-F26 HydrophobicContact CG1-CE1 3.99Å; V23-F26 HydrophobicContact CG1-CZ 3.82Å; V23-F26 HydrophobicContact CG2-CE1 4.1Å; V23-F26 HydrophobicContact CG2-CZ 4.09Å; V23-L28 HydrophobicContact CB-CD2 4.43Å; V23-L28 HydrophobicContact CG1-CD2 3.98Å; V23-L28 HydrophobicContact CG2-CD1 4.12Å; V23-L28 HydrophobicContact CG2-CD2 3.65Å; V23-L28 HydrophobicContact CG2-CG 3.64Å; V23-V33 HydrophobicContact CG1-CG2 4.38Å; V23-S75 WeakPolarHBondContact CG2-O 3.36Å; V23-S75 PolarHBondContact N-O 3.48Å
24	S	96.3	Very high	96	Very high	58 Å²	58	51.3 Å²	51.3	41%	0.406	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	150.5	172.6	61.6	0	0	0	0	112.2	V1 K2	V1-S24 CarbonylContact C-O 3.57Å; K2-S24 WeakPolarHBondContact CB-OG 3.43Å; K2-S24 PolarHBondContact N-O 2.92Å; K2-S24 PolarHBondContact O-N 3.46Å
25	G	95.3	Very high	96.4	Very high	77 Å²	77	46.5 Å²	46.5	79%	0.794	28%	0.282	S	S	*	.	S	Bend	trans	83.2	6.2	-174.3	0	0	0	0	0	114.8
26	F	93.9	Very high	96.5	Very high	45 Å²	45	43.2 Å²	43.2	20%	0.197	27%	0.269	C	S	.	.	S	Bend	trans	-156.3	165.8	166.2	76	-75	0	0	0	111	V1 L3 V23 L28 Y31 V33	V1-F26 HydrophobicContact CG2-CB 4.42Å; V1-F26 HydrophobicContact CG2-CD1 3.19Å; V1-F26 HydrophobicContact CG2-CE1 3.63Å; V1-F26 HydrophobicContact CG2-CG 4.11Å; L3-F26 HydrophobicContact CD2-CE1 3.76Å; L3-F26 HydrophobicContact CD2-CZ 4.17Å; V23-F26 HydrophobicContact CB-CD1 4.31Å; V23-F26 HydrophobicContact CB-CE1 3.56Å; V23-F26 HydrophobicContact CB-CZ 3.79Å; V23-F26 HydrophobicContact CG1-CE1 3.99Å; V23-F26 HydrophobicContact CG1-CZ 3.82Å; V23-F26 HydrophobicContact CG2-CE1 4.1Å; V23-F26 HydrophobicContact CG2-CZ 4.09Å; F26-L28 HydrophobicContact CE2-CD2 4.01Å; F26-L28 HydrophobicContact CZ-CD2 4.22Å; F26-Y31 HydrophobicContact CB-CD2 4.16Å; F26-Y31 HydrophobicContact CB-CE2 4.48Å; F26-Y31 AromaticContact CD2-CD2 3.78Å; F26-Y31 HydrophobicContact CD2-CD2 3.78Å; F26-Y31 HydrophobicContact CD2-CG 4.16Å; F26-Y31 HydrophobicContact CG-CD2 4.36Å; F26-V33 HydrophobicContact CE2-CG2 4.25Å; F26-V33 HydrophobicContact CZ-CG2 3.93Å
27	S	95.4	Very high	96.6	Very high	51 Å²	51	41.2 Å²	41.2	36%	0.357	25%	0.253	S	S	.	.			trans	-98.5	136.5	174.1	179.2	0	0	0	0	112.3	T29 S30 Y31	S27-T29 PolarHBondContact O-N 3.23Å; S27-T29 VanDerWaalsContact O-N 3.16Å; S27-T29 PolarHBondContact OG-N 2.83Å; S27-T29 PolarHBondContact OG-OG1 2.8Å; S27-S30 PolarHBondContact O-N 3.01Å; S27-Y31 PolarHBondContact O-N 2.88Å
28	L	96.7	Very high	96.8	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.021	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-10.5	172.7	-66.9	179.2	0	0	0	113.9	V23 F26 S30 V33 K70 N72 Q76 V77	V23-L28 HydrophobicContact CB-CD2 4.43Å; V23-L28 HydrophobicContact CG1-CD2 3.98Å; V23-L28 HydrophobicContact CG2-CD1 4.12Å; V23-L28 HydrophobicContact CG2-CD2 3.65Å; V23-L28 HydrophobicContact CG2-CG 3.64Å; F26-L28 HydrophobicContact CE2-CD2 4.01Å; F26-L28 HydrophobicContact CZ-CD2 4.22Å; L28-S30 VanDerWaalsContact C-N 3.35Å; L28-V33 HydrophobicContact CD2-CG2 3.56Å; L28-K70 HydrophobicContact CD1-CB 4.45Å; L28-K70 PolarHBondContact O-NZ 2.86Å; L28-N72 WeakPolarHBondContact CB-OD1 3.38Å; L28-Q76 WeakPolarHBondContact CD1-O 3.35Å; L28-V77 HydrophobicContact CD1-CG2 3.9Å; L28-V77 HydrophobicContact CD2-CG2 3.67Å; L28-V77 HydrophobicContact CG-CG2 4.47Å
29	T	96.8	Very high	96.8	Very high	79 Å²	79	41.3 Å²	41.3	49%	0.485	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-10	171.5	60.7	0	0	0	0	112.9	S27 R52 N72	S27-T29 PolarHBondContact O-N 3.23Å; S27-T29 VanDerWaalsContact O-N 3.16Å; S27-T29 PolarHBondContact OG-N 2.83Å; S27-T29 PolarHBondContact OG-OG1 2.8Å; T29-R52 WeakPolarHBondContact O-CB 3.31Å; T29-N72 HydrophobicContact CG2-CB 4.31Å
30	S	96.1	Very high	96.7	Very high	59 Å²	59	45.6 Å²	45.6	41%	0.413	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-34.3	-178.7	-54.2	0	0	0	0	112.6	S27 L28 R52	S27-S30 PolarHBondContact O-N 3.01Å; L28-S30 VanDerWaalsContact C-N 3.35Å; S30-R52 WeakPolarHBondContact O-CD 3.37Å
31	Y	94.9	Very high	96.5	Very high	154 Å²	154	48.5 Å²	48.5	60%	0.604	31%	0.313	S	S	*	.			trans	-129.8	153	-175.2	-61.7	-86.5	0	0	0	112	F26 S27	F26-Y31 HydrophobicContact CB-CD2 4.16Å; F26-Y31 HydrophobicContact CB-CE2 4.48Å; F26-Y31 AromaticContact CD2-CD2 3.78Å; F26-Y31 HydrophobicContact CD2-CD2 3.78Å; F26-Y31 HydrophobicContact CD2-CG 4.16Å; F26-Y31 HydrophobicContact CG-CD2 4.36Å; S27-Y31 PolarHBondContact O-N 2.88Å
32	G	96.3	Very high	96.3	Very high	23 Å²	23	53.9 Å²	53.9	24%	0.237	34%	0.336	C	S	.	.			trans	-83.9	162.6	167.8	0	0	0	0	0	111.9	I50	G32-I50 CarbonylContact C-O 3.47Å; G32-I50 WeakPolarHBondContact CA-O 3.47Å
33	V	98	Very high	96.2	Very high	7 Å²	7	54.1 Å²	54.1	4%	0.042	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	123.7	176.8	179.1	0	0	0	0	108.9	V23 F26 L28 V49 I50 V77 C94	V23-V33 HydrophobicContact CG1-CG2 4.38Å; F26-V33 HydrophobicContact CE2-CG2 4.25Å; F26-V33 HydrophobicContact CZ-CG2 3.93Å; L28-V33 HydrophobicContact CD2-CG2 3.56Å; V33-V49 WeakPolarHBondContact O-CA 3.41Å; V33-V49 WeakPolarHBondContact O-CG2 3.45Å; V33-I50 PolarHBondContact N-O 3.49Å; V33-I50 PolarHBondContact O-N 3.5Å; V33-I50 VanDerWaalsContact O-N 3.08Å; V33-V77 HydrophobicContact CB-CG1 4.46Å; V33-V77 HydrophobicContact CB-CG2 3.99Å; V33-V77 HydrophobicContact CG1-CB 4.46Å; V33-V77 HydrophobicContact CG1-CG1 4.42Å; V33-V77 HydrophobicContact CG1-CG2 4.28Å; V33-V77 HydrophobicContact CG2-CG2 3.87Å; V33-C94 HydrophobicContact CG1-CB 3.93Å
34	H	97.8	Very high	96.2	Very high	84 Å²	84	59.7 Å²	59.7	39%	0.389	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	151.3	178.9	-68.6	-105.9	0	0	0	110.2	W46 G48 V49 C94	H34-W46 AromaticContact ND1-CD1 3.9Å; H34-W46 AromaticContact ND1-NE1 3.23Å; H34-W46 PolarHBondContact ND1-NE1 3.02Å; H34-G48 WeakPolarHBondContact CA-O 3.28Å; H34-V49 WeakPolarHBondContact NE2-CG2 3.45Å; H34-C94 WeakPolarHBondContact O-CA 3.43Å
35	W	98.1	Very high	96.2	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	133	168.3	-71.7	92.6	0	0	0	109.7	I19 C21 L47 G48 I68 V77 F79 Y93 C94	I19-W35 HydrophobicContact CB-CH2 4.08Å; I19-W35 HydrophobicContact CB-CZ3 4.2Å; I19-W35 HydrophobicContact CG2-CH2 3.74Å; I19-W35 HydrophobicContact CG2-CZ3 3.83Å; C21-W35 HydrophobicContact CB-CH2 3.63Å; C21-W35 HydrophobicContact CB-CZ2 3.58Å; W35-L47 HydrophobicContact CB-CB 4.19Å; W35-L47 WeakPolarHBondContact O-CB 3.48Å; W35-L47 PolarHBondContact O-N 2.78Å; W35-G48 PolarHBondContact N-O 2.85Å; W35-G48 PolarHBondContact O-N 3.11Å; W35-I68 HydrophobicContact CG-CD1 4.49Å; W35-V77 HydrophobicContact CZ2-CG1 4.21Å; W35-F79 HydrophobicContact CB-CD2 4.07Å; W35-F79 HydrophobicContact CB-CE2 4.36Å; W35-F79 HydrophobicContact CD2-CB 3.69Å; W35-F79 AromaticContact CD2-CD2 3.95Å; W35-F79 HydrophobicContact CD2-CD2 3.95Å; W35-F79 HydrophobicContact CD2-CG 4.02Å; W35-F79 VanDerWaalsContact CE2-CB 3.45Å; W35-F79 HydrophobicContact CE3-CB 3.99Å; W35-F79 HydrophobicContact CE3-CD2 4.37Å; W35-F79 HydrophobicContact CE3-CG 4.17Å; W35-F79 HydrophobicContact CG-CB 4.29Å; W35-F79 AromaticContact CG-CD2 3.79Å; W35-F79 HydrophobicContact CG-CD2 3.79Å; W35-F79 HydrophobicContact CG-CG 4.35Å; W35-F79 HydrophobicContact CH2-CB 3.81Å; W35-F79 HydrophobicContact CZ2-CB 3.52Å; W35-F79 HydrophobicContact CZ3-CB 4.05Å; W35-Y93 WeakPolarHBondContact CA-O 3.37Å; W35-C94 HydrophobicContact CD2-CB 4.26Å; W35-C94 HydrophobicContact CE3-CB 4.13Å; W35-C94 HydrophobicContact CH2-CB 4.02Å; W35-C94 HydrophobicContact CZ2-CB 4.12Å; W35-C94 HydrophobicContact CZ3-CB 4Å
36	V	97.7	Very high	96.3	Very high	35 Å²	35	60.3 Å²	60.3	21%	0.212	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	145.4	-179.7	-177.1	0	0	0	0	107.9	L44 E45 Y93	V36-L44 HydrophobicContact CG1-CB 3.77Å; V36-L44 HydrophobicContact CG1-CD2 3.87Å; V36-L44 HydrophobicContact CG1-CG 4.29Å; V36-E45 CarbonylContact C-O 3.6Å; V36-E45 VanDerWaalsContact CA-O 3.31Å; V36-E45 WeakPolarHBondContact CA-O 3.45Å; V36-E45 WeakPolarHBondContact CG1-O 3.4Å; V36-Y93 PolarHBondContact N-O 2.59Å; V36-Y93 PolarHBondContact O-N 3.28Å
37	R	96.3	Very high	96.5	Very high	11 Å²	11	58.2 Å²	58.2	4%	0.042	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	158.3	170.4	70.4	174.8	-170.7	176	15.9	112.3	E45 L47 F62 D88 A90 I91 Y92	R37-E45 HydrophobicContact CG-CB 4Å; R37-E45 IonicContact CZ-OE2 3.83Å; R37-E45 VanDerWaalsContact CZ-OE2 3.3Å; R37-E45 PolarHBondContact N-O 3.15Å; R37-E45 IonicContact NE-OE2 3.83Å; R37-E45 PolarHBondContact NE-OE2 3.15Å; R37-E45 IonicContact NH2-OE2 2.89Å; R37-E45 PolarHBondContact NH2-OE2 2.8Å; R37-E45 PolarHBondContact O-N 2.89Å; R37-L47 HydrophobicContact CB-CD1 3.94Å; R37-L47 HydrophobicContact CB-CG 4.43Å; R37-L47 HydrophobicContact CG-CD1 4.09Å; R37-L47 HydrophobicContact CG-CD2 3.96Å; R37-L47 HydrophobicContact CG-CG 4.13Å; R37-F62 VanDerWaalsContact CZ-CZ 3.42Å; R37-D88 IonicContact CZ-OD1 3.3Å; R37-D88 IonicContact NH1-OD1 2.89Å; R37-D88 PolarHBondContact NH1-OD1 3.19Å; R37-A90 HydrophobicContact CB-CB 3.87Å; R37-A90 HydrophobicContact CG-CB 4.28Å; R37-I91 CarbonylContact C-O 3.59Å; R37-I91 WeakPolarHBondContact CA-O 3.44Å; R37-Y92 HydrophobicContact CB-CD1 4.02Å; R37-Y92 HydrophobicContact CB-CE1 4.04Å; R37-Y92 HydrophobicContact CB-CG 4.43Å
38	Q	97.3	Very high	96.6	Very high	71 Å²	71	55.8 Å²	55.8	33%	0.332	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	107.4	172.8	-166.8	176.9	18.7	0	0	110	K42 L44 A90 I91 Y93	Q38-K42 WeakPolarHBondContact CG-O 3.06Å; Q38-K42 PolarHBondContact NE2-O 3.28Å; Q38-L44 HydrophobicContact CB-CD2 4.04Å; Q38-L44 HydrophobicContact CG-CD2 4.35Å; Q38-A90 WeakPolarHBondContact O-CA 3.48Å; Q38-A90 WeakPolarHBondContact O-CB 3.08Å; Q38-I91 PolarHBondContact N-O 2.98Å; Q38-I91 PolarHBondContact O-N 3.22Å; Q38-Y93 HydrophobicContact CB-CE2 3.94Å
39	S	96.1	Very high	96.7	Very high	10 Å²	10	55.6 Å²	55.6	7%	0.07	32%	0.321	C	S	.	.			trans	-74.8	153.7	172.1	-57.6	0	0	0	0	110.8	G41 K42 T89	S39-G41 PolarHBondContact O-N 3.44Å; S39-K42 PolarHBondContact O-N 2.93Å; S39-T89 PolarHBondContact OG-O 3.01Å
40	P	95.2	Very high	96.8	Very high	106 Å²	106	52.2 Å²	52.2	69%	0.688	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	126	175.7	-25.8	34.6	0	0	0	111.8	K42 T89	P40-K42 PolarHBondContact O-N 2.9Å; P40-T89 WeakPolarHBondContact CD-O 3.47Å
41	G	95.1	Very high	96.9	Very high	93 Å²	93	54.3 Å²	54.3	96%	0.959	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	5.6	-179.6	0	0	0	0	0	115.7	S39	S39-G41 PolarHBondContact O-N 3.44Å
42	K	94.8	Very high	97	Very high	113 Å²	113	55 Å²	55	49%	0.491	30%	0.3	S	S	.	.			trans	-112.7	162.8	176.4	-62.2	-168.4	-179.3	176.1	0	112.2	Q38 S39 P40	Q38-K42 WeakPolarHBondContact CG-O 3.06Å; Q38-K42 PolarHBondContact NE2-O 3.28Å; S39-K42 PolarHBondContact O-N 2.93Å; P40-K42 PolarHBondContact O-N 2.9Å
43	G	95.4	Very high	97	Very high	51 Å²	51	57.3 Å²	57.3	53%	0.526	33%	0.325	S	S	.	.			trans	-72.9	-177.1	172	0	0	0	0	0	113
44	L	96.9	Very high	96.9	Very high	123 Å²	123	58.8 Å²	58.8	64%	0.644	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.4	129.4	174.3	-66.7	176.1	0	0	0	110.7	V36 Q38 Y93	V36-L44 HydrophobicContact CG1-CB 3.77Å; V36-L44 HydrophobicContact CG1-CD2 3.87Å; V36-L44 HydrophobicContact CG1-CG 4.29Å; Q38-L44 HydrophobicContact CB-CD2 4.04Å; Q38-L44 HydrophobicContact CG-CD2 4.35Å; L44-Y93 HydrophobicContact CD2-CD2 4.45Å; L44-Y93 HydrophobicContact CD2-CE2 4.29Å
45	E	96.8	Very high	96.9	Very high	55 Å²	55	58.1 Å²	58.1	26%	0.257	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	118.9	175.7	-67.2	-179.1	166.2	0	0	109.6	V36 R37	V36-E45 CarbonylContact C-O 3.6Å; V36-E45 VanDerWaalsContact CA-O 3.31Å; V36-E45 WeakPolarHBondContact CA-O 3.45Å; V36-E45 WeakPolarHBondContact CG1-O 3.4Å; R37-E45 HydrophobicContact CG-CB 4Å; R37-E45 IonicContact CZ-OE2 3.83Å; R37-E45 VanDerWaalsContact CZ-OE2 3.3Å; R37-E45 PolarHBondContact N-O 3.15Å; R37-E45 IonicContact NE-OE2 3.83Å; R37-E45 PolarHBondContact NE-OE2 3.15Å; R37-E45 IonicContact NH2-OE2 2.89Å; R37-E45 PolarHBondContact NH2-OE2 2.8Å; R37-E45 PolarHBondContact O-N 2.89Å
46	W	97.6	Very high	96.9	Very high	93 Å²	93	60.3 Å²	60.3	35%	0.352	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	133.2	174.4	179.2	72.3	0	0	0	110.7	H34 G48 V49 D57 N59	H34-W46 AromaticContact ND1-CD1 3.9Å; H34-W46 AromaticContact ND1-NE1 3.23Å; H34-W46 PolarHBondContact ND1-NE1 3.02Å; W46-G48 VanDerWaalsContact CZ2-C 3.41Å; W46-G48 PolarHBondContact NE1-O 2.89Å; W46-V49 HydrophobicContact CZ2-CB 4.19Å; W46-V49 HydrophobicContact CZ2-CG1 3.97Å; W46-D57 HydrophobicContact CH2-CB 4.1Å; W46-N59 HydrophobicContact CE3-CB 3.8Å; W46-N59 HydrophobicContact CZ3-CB 3.94Å; W46-N59 VanDerWaalsContact CZ3-N 3.34Å; W46-N59 VanDerWaalsContact O-CB 3.23Å; W46-N59 WeakPolarHBondContact O-CB 3.27Å; W46-N59 PolarHBondContact O-ND2 2.68Å
47	L	97.4	Very high	96.9	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	-40.7	-176.9	-65.2	177.2	0	0	0	112.7	W35 R37 N59 F62 L66 F79 Y92	W35-L47 HydrophobicContact CB-CB 4.19Å; W35-L47 WeakPolarHBondContact O-CB 3.48Å; W35-L47 PolarHBondContact O-N 2.78Å; R37-L47 HydrophobicContact CB-CD1 3.94Å; R37-L47 HydrophobicContact CB-CG 4.43Å; R37-L47 HydrophobicContact CG-CD1 4.09Å; R37-L47 HydrophobicContact CG-CD2 3.96Å; R37-L47 HydrophobicContact CG-CG 4.13Å; L47-N59 PolarHBondContact O-N 2.88Å; L47-F62 HydrophobicContact CD2-CD1 4.29Å; L47-F62 HydrophobicContact CD2-CD2 3.67Å; L47-F62 HydrophobicContact CD2-CE1 4.44Å; L47-F62 HydrophobicContact CD2-CE2 3.82Å; L47-F62 HydrophobicContact CD2-CG 3.93Å; L47-F62 HydrophobicContact CD2-CZ 4.21Å; L47-L66 HydrophobicContact CB-CD1 4.01Å; L47-L66 WeakPolarHBondContact O-CD1 3.46Å; L47-F79 HydrophobicContact CB-CE2 4.29Å; L47-F79 HydrophobicContact CD1-CE2 3.74Å; L47-F79 HydrophobicContact CD1-CZ 3.69Å; L47-Y92 HydrophobicContact CD1-CD1 3.85Å; L47-Y92 HydrophobicContact CD1-CE1 3.79Å
48	G	98.1	Very high	97	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.9	178.7	-176.7	0	0	0	0	0	112.8	H34 W35 W46 D57	H34-G48 WeakPolarHBondContact CA-O 3.28Å; W35-G48 PolarHBondContact N-O 2.85Å; W35-G48 PolarHBondContact O-N 3.11Å; W46-G48 VanDerWaalsContact CZ2-C 3.41Å; W46-G48 PolarHBondContact NE1-O 2.89Å; G48-D57 CarbonylContact C-O 3.57Å; G48-D57 WeakPolarHBondContact CA-O 3.08Å
49	V	98.4	Very high	97	Very high	1 Å²	1	64 Å²	64	1%	0.006	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	146.2	176.4	64.1	0	0	0	0	109.3	V33 H34 W46 W51 T56 D57	V33-V49 WeakPolarHBondContact O-CA 3.41Å; V33-V49 WeakPolarHBondContact O-CG2 3.45Å; H34-V49 WeakPolarHBondContact NE2-CG2 3.45Å; W46-V49 HydrophobicContact CZ2-CB 4.19Å; W46-V49 HydrophobicContact CZ2-CG1 3.97Å; V49-W51 HydrophobicContact CG1-CD2 4.31Å; V49-W51 HydrophobicContact CG1-CZ2 3.75Å; V49-W51 HydrophobicContact CG2-CD2 4.22Å; V49-W51 HydrophobicContact CG2-CE3 4.33Å; V49-W51 HydrophobicContact CG2-CH2 4.49Å; V49-W51 HydrophobicContact CG2-CZ2 4.39Å; V49-W51 HydrophobicContact CG2-CZ3 4.46Å; V49-T56 VanDerWaalsContact O-CA 3.27Å; V49-T56 WeakPolarHBondContact O-CA 3.43Å; V49-D57 HydrophobicContact CG1-CB 3.93Å; V49-D57 PolarHBondContact N-O 3.07Å; V49-D57 PolarHBondContact O-N 3.49Å; V49-D57 VanDerWaalsContact O-N 3.1Å
50	I	98.5	Very high	96.9	Very high	8 Å²	8	67.2 Å²	67.2	4%	0.041	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	121.6	159.8	-170.5	161.7	0	0	0	109.2	G32 V33 T56 I68 K70 V77	G32-I50 CarbonylContact C-O 3.47Å; G32-I50 WeakPolarHBondContact CA-O 3.47Å; V33-I50 PolarHBondContact N-O 3.49Å; V33-I50 PolarHBondContact O-N 3.5Å; V33-I50 VanDerWaalsContact O-N 3.08Å; I50-T56 HydrophobicContact CB-CG2 3.96Å; I50-T56 HydrophobicContact CD1-CG2 4Å; I50-T56 HydrophobicContact CG1-CG2 3.83Å; I50-I68 HydrophobicContact CB-CG2 3.7Å; I50-I68 HydrophobicContact CG2-CG2 3.69Å; I50-K70 HydrophobicContact CD1-CB 3.97Å; I50-K70 HydrophobicContact CD1-CD 3.92Å; I50-K70 HydrophobicContact CD1-CG 3.68Å; I50-K70 HydrophobicContact CG1-CD 4.04Å; I50-K70 HydrophobicContact CG1-CG 4.37Å; I50-K70 HydrophobicContact CG2-CB 4.48Å; I50-K70 HydrophobicContact CG2-CD 4.39Å; I50-V77 HydrophobicContact CG2-CG1 3.76Å; I50-V77 HydrophobicContact CG2-CG2 4.4Å
51	W	98.3	Very high	96.8	Very high	103 Å²	103	65.6 Å²	65.6	39%	0.39	40%	0.4	S	S	.	.			trans	-78.4	164.9	-179.4	-62.8	106.8	0	0	0	111.3	V49 G53 G54 S55 D57	V49-W51 HydrophobicContact CG1-CD2 4.31Å; V49-W51 HydrophobicContact CG1-CZ2 3.75Å; V49-W51 HydrophobicContact CG2-CD2 4.22Å; V49-W51 HydrophobicContact CG2-CE3 4.33Å; V49-W51 HydrophobicContact CG2-CH2 4.49Å; V49-W51 HydrophobicContact CG2-CZ2 4.39Å; V49-W51 HydrophobicContact CG2-CZ3 4.46Å; W51-G53 PolarHBondContact O-N 2.65Å; W51-G53 VanDerWaalsContact O-N 3.08Å; W51-G54 PolarHBondContact O-N 2.72Å; W51-S55 PolarHBondContact N-O 2.88Å; W51-D57 PolarHBondContact NE1-OD2 3.49Å
52	R	96.9	Very high	96.6	Very high	167 Å²	167	62.1 Å²	62.1	63%	0.63	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-33.8	178.7	72.4	-178.2	-176.3	-161.1	0.4	113.6	T29 S30 G54 K70	T29-R52 WeakPolarHBondContact O-CB 3.31Å; S30-R52 WeakPolarHBondContact O-CD 3.37Å; R52-G54 VanDerWaalsContact C-N 3.31Å; R52-K70 PolarHBondContact O-NZ 3.18Å
53	G	96.1	Very high	96.5	Very high	73 Å²	73	62.5 Å²	62.5	75%	0.753	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-5.4	178.2	0	0	0	0	0	114.8	W51	W51-G53 PolarHBondContact O-N 2.65Å; W51-G53 VanDerWaalsContact O-N 3.08Å
54	G	96.6	Very high	96.4	Very high	37 Å²	37	65.1 Å²	65.1	38%	0.381	37%	0.374	S	S	.	.	S	Bend	trans	90.9	-5.5	-179.5	0	0	0	0	0	115	W51 R52	W51-G54 PolarHBondContact O-N 2.72Å; R52-G54 VanDerWaalsContact C-N 3.31Å
55	S	97.6	Very high	96.4	Very high	70 Å²	70	60.7 Å²	60.7	49%	0.49	35%	0.348	S	S	.	.			trans	-63.9	149	168.5	53.5	0	0	0	0	110.8	W51	W51-S55 PolarHBondContact N-O 2.88Å
56	T	98.3	Very high	96.3	Very high	47 Å²	47	58.8 Å²	58.8	29%	0.288	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	140.9	-179.2	48.7	0	0	0	0	110.5	V49 I50 Y58 I68	V49-T56 VanDerWaalsContact O-CA 3.27Å; V49-T56 WeakPolarHBondContact O-CA 3.43Å; I50-T56 HydrophobicContact CB-CG2 3.96Å; I50-T56 HydrophobicContact CD1-CG2 4Å; I50-T56 HydrophobicContact CG1-CG2 3.83Å; T56-Y58 WeakPolarHBondContact OG1-CE2 2.94Å; T56-Y58 PolarHBondContact OG1-OH 3.1Å; T56-I68 HydrophobicContact CG2-CB 4.37Å
57	D	97.8	Very high	96.3	Very high	81 Å²	81	56.7 Å²	56.7	43%	0.433	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	144.7	165.7	-60.2	-53.9	0	0	0	108.7	W46 G48 V49 W51	W46-D57 HydrophobicContact CH2-CB 4.1Å; G48-D57 CarbonylContact C-O 3.57Å; G48-D57 WeakPolarHBondContact CA-O 3.08Å; V49-D57 HydrophobicContact CG1-CB 3.93Å; V49-D57 PolarHBondContact N-O 3.07Å; V49-D57 PolarHBondContact O-N 3.49Å; V49-D57 VanDerWaalsContact O-N 3.1Å; W51-D57 PolarHBondContact NE1-OD2 3.49Å
58	Y	97.8	Very high	96.3	Very high	65 Å²	65	56.9 Å²	56.9	26%	0.255	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	152	-178	-60	-79.6	0	0	0	110.4	T56 A60 M63 L66 I68	T56-Y58 WeakPolarHBondContact OG1-CE2 2.94Å; T56-Y58 PolarHBondContact OG1-OH 3.1Å; Y58-A60 PolarHBondContact O-N 3.17Å; Y58-M63 HydrophobicContact CG-CB 4.43Å; Y58-L66 HydrophobicContact CD1-CB 3.8Å; Y58-L66 HydrophobicContact CD1-CD1 4.21Å; Y58-L66 HydrophobicContact CE1-CB 3.94Å; Y58-I68 HydrophobicContact CD1-CD1 4.14Å; Y58-I68 HydrophobicContact CE1-CB 4.29Å; Y58-I68 HydrophobicContact CE1-CD1 3.76Å; Y58-I68 HydrophobicContact CE1-CG1 3.87Å; Y58-I68 PolarHBondContact OH-N 2.86Å
59	N	96.4	Very high	96.3	Very high	48 Å²	48	60.1 Å²	60.1	26%	0.257	36%	0.36	S	S	.	.			trans	-68.2	127.9	163.2	-179.5	-30.2	0	0	0	109	W46 L47 A61 F62 M63	W46-N59 HydrophobicContact CE3-CB 3.8Å; W46-N59 HydrophobicContact CZ3-CB 3.94Å; W46-N59 VanDerWaalsContact CZ3-N 3.34Å; W46-N59 VanDerWaalsContact O-CB 3.23Å; W46-N59 WeakPolarHBondContact O-CB 3.27Å; W46-N59 PolarHBondContact O-ND2 2.68Å; L47-N59 PolarHBondContact O-N 2.88Å; N59-A61 PolarHBondContact O-N 3.35Å; N59-A61 VanDerWaalsContact O-N 3.09Å; N59-A61 WeakPolarHBondContact OD1-CB 3Å; N59-A61 PolarHBondContact OD1-N 3.07Å; N59-F62 HydrophobicContact CB-CD2 3.93Å; N59-F62 PolarHBondContact O-N 3.07Å; N59-M63 PolarHBondContact O-N 3.44Å
60	A	95.4	Very high	96.3	Very high	78 Å²	78	62.1 Å²	62.1	65%	0.645	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-31.9	-176.6	0	0	0	0	0	113.3	Y58 F62	Y58-A60 PolarHBondContact O-N 3.17Å; A60-F62 PolarHBondContact O-N 2.92Å
61	A	92.2	Very high	96.3	Very high	72 Å²	72	63.7 Å²	63.7	60%	0.595	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-23	178.4	0	0	0	0	0	113.6	N59	N59-A61 PolarHBondContact O-N 3.35Å; N59-A61 VanDerWaalsContact O-N 3.09Å; N59-A61 WeakPolarHBondContact OD1-CB 3Å; N59-A61 PolarHBondContact OD1-N 3.07Å
62	F	91.4	Very high	96.2	Very high	19 Å²	19	62.2 Å²	62.2	8%	0.083	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-11	-174	-54.3	-78.3	0	0	0	113.6	R37 L47 N59 A60 S64 R65 L66 M81	R37-F62 VanDerWaalsContact CZ-CZ 3.42Å; L47-F62 HydrophobicContact CD2-CD1 4.29Å; L47-F62 HydrophobicContact CD2-CD2 3.67Å; L47-F62 HydrophobicContact CD2-CE1 4.44Å; L47-F62 HydrophobicContact CD2-CE2 3.82Å; L47-F62 HydrophobicContact CD2-CG 3.93Å; L47-F62 HydrophobicContact CD2-CZ 4.21Å; N59-F62 HydrophobicContact CB-CD2 3.93Å; N59-F62 PolarHBondContact O-N 3.07Å; A60-F62 PolarHBondContact O-N 2.92Å; F62-S64 PolarHBondContact O-N 2.68Å; F62-R65 PolarHBondContact O-N 2.02Å; F62-L66 HydrophobicContact CB-CD1 3.39Å; F62-L66 HydrophobicContact CB-CG 3.73Å; F62-L66 HydrophobicContact CG-CD1 4.37Å; F62-L66 WeakPolarHBondContact O-CG 3.47Å; F62-L66 PolarHBondContact O-N 3.08Å; F62-M81 HydrophobicContact CD1-CE 3.96Å
63	M	92.9	Very high	96.2	Very high	121 Å²	121	59.2 Å²	59.2	60%	0.596	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-32	-168.3	75.3	179	-168.7	0	0	114.4	Y58 N59 R65	Y58-M63 HydrophobicContact CG-CB 4.43Å; N59-M63 PolarHBondContact O-N 3.44Å; M63-R65 PolarHBondContact O-N 2.98Å
64	S	93.9	Very high	96.2	Very high	107 Å²	107	61.7 Å²	61.7	75%	0.748	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-17.3	-179.2	59.1	0	0	0	0	113.6	F62	F62-S64 PolarHBondContact O-N 2.68Å
65	R	95.1	Very high	96.3	Very high	29 Å²	29	62.1 Å²	62.1	11%	0.109	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-12.9	-174.9	-58.5	-169.5	-60.7	123.8	-3.1	113.1	F62 M63 M81 N82 S83 D88	F62-R65 PolarHBondContact O-N 2.02Å; M63-R65 PolarHBondContact O-N 2.98Å; R65-M81 HydrophobicContact CB-CG 4.42Å; R65-M81 CarbonylContact O-C 3.59Å; R65-M81 WeakPolarHBondContact O-CA 3.39Å; R65-N82 PolarHBondContact NH1-O 3.08Å; R65-N82 PolarHBondContact O-N 2.82Å; R65-S83 PolarHBondContact NH1-O 2.82Å; R65-S83 VanDerWaalsContact NH1-O 3.07Å; R65-D88 IonicContact CZ-OD1 3.36Å; R65-D88 IonicContact CZ-OD2 2.81Å; R65-D88 IonicContact NH1-OD1 2.68Å; R65-D88 IonicContact NH1-OD2 3.49Å; R65-D88 PolarHBondContact NH1-OD2 3.39Å; R65-D88 IonicContact NH2-OD1 3.15Å; R65-D88 PolarHBondContact NH2-OD1 3.37Å; R65-D88 IonicContact NH2-OD2 3.94Å; R65-D88 PolarHBondContact NH2-OD2 2.86Å; R65-D88 VanDerWaalsContact NH2-OD2 3.15Å
66	L	95.4	Very high	96.3	Very high	15 Å²	15	61 Å²	61	8%	0.079	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	147.4	-174.7	-70.5	-175.1	0	0	0	113.5	L47 Y58 F62 F79 K80 M81	L47-L66 HydrophobicContact CB-CD1 4.01Å; L47-L66 WeakPolarHBondContact O-CD1 3.46Å; Y58-L66 HydrophobicContact CD1-CB 3.8Å; Y58-L66 HydrophobicContact CD1-CD1 4.21Å; Y58-L66 HydrophobicContact CE1-CB 3.94Å; F62-L66 HydrophobicContact CB-CD1 3.39Å; F62-L66 HydrophobicContact CB-CG 3.73Å; F62-L66 HydrophobicContact CG-CD1 4.37Å; F62-L66 WeakPolarHBondContact O-CG 3.47Å; F62-L66 PolarHBondContact O-N 3.08Å; L66-F79 HydrophobicContact CD1-CE2 4.2Å; L66-F79 HydrophobicContact CD2-CD2 4.37Å; L66-F79 HydrophobicContact CD2-CE1 4.27Å; L66-F79 HydrophobicContact CD2-CE2 3.34Å; L66-F79 HydrophobicContact CD2-CZ 3.27Å; L66-F79 HydrophobicContact CG-CE2 4.35Å; L66-K80 CarbonylContact C-O 3.45Å; L66-K80 WeakPolarHBondContact CA-O 3.45Å; L66-M81 HydrophobicContact CD2-CB 3.79Å; L66-M81 HydrophobicContact CD2-CE 3.4Å; L66-M81 HydrophobicContact CD2-CG 3.9Å; L66-M81 HydrophobicContact CD2-SD 4.46Å; L66-M81 HydrophobicContact CG-CE 4.21Å
67	S	97.3	Very high	96.3	Very high	49 Å²	49	58.8 Å²	58.8	34%	0.343	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	126.1	165.7	-179.2	0	0	0	0	108.9	K80	S67-K80 PolarHBondContact N-O 2.82Å; S67-K80 PolarHBondContact O-N 2.77Å
68	I	98.2	Very high	96.3	Very high	5 Å²	5	57.8 Å²	57.8	3%	0.026	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	128.5	173.5	-58.7	161.3	0	0	0	108.2	W35 I50 T56 Y58 V77 F78 F79	W35-I68 HydrophobicContact CG-CD1 4.49Å; I50-I68 HydrophobicContact CB-CG2 3.7Å; I50-I68 HydrophobicContact CG2-CG2 3.69Å; T56-I68 HydrophobicContact CG2-CB 4.37Å; Y58-I68 HydrophobicContact CD1-CD1 4.14Å; Y58-I68 HydrophobicContact CE1-CB 4.29Å; Y58-I68 HydrophobicContact CE1-CD1 3.76Å; Y58-I68 HydrophobicContact CE1-CG1 3.87Å; Y58-I68 PolarHBondContact OH-N 2.86Å; I68-V77 HydrophobicContact CG2-CG1 3.9Å; I68-F78 WeakPolarHBondContact CA-O 3.07Å; I68-F79 HydrophobicContact CG1-CD2 4.07Å
69	T	98.3	Very high	96.3	Very high	67 Å²	67	54.8 Å²	54.8	41%	0.411	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	166	176.6	65.9	0	0	0	0	110.5	V77 F78	T69-V77 CarbonylContact O-C 3.6Å; T69-V77 WeakPolarHBondContact O-CA 3.33Å; T69-V77 WeakPolarHBondContact O-CG1 3.21Å; T69-F78 PolarHBondContact N-O 2.88Å; T69-F78 PolarHBondContact O-N 2.97Å
70	K	97.9	Very high	96.4	Very high	43 Å²	43	56.8 Å²	56.8	19%	0.187	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	148.9	177.5	70.1	-177.9	-177	126	0	112.4	L28 I50 R52 N72 Q76 V77	L28-K70 HydrophobicContact CD1-CB 4.45Å; L28-K70 PolarHBondContact O-NZ 2.86Å; I50-K70 HydrophobicContact CD1-CB 3.97Å; I50-K70 HydrophobicContact CD1-CD 3.92Å; I50-K70 HydrophobicContact CD1-CG 3.68Å; I50-K70 HydrophobicContact CG1-CD 4.04Å; I50-K70 HydrophobicContact CG1-CG 4.37Å; I50-K70 HydrophobicContact CG2-CB 4.48Å; I50-K70 HydrophobicContact CG2-CD 4.39Å; R52-K70 PolarHBondContact O-NZ 3.18Å; K70-N72 PolarHBondContact NZ-OD1 2.9Å; K70-Q76 CarbonylContact C-O 3.53Å; K70-Q76 WeakPolarHBondContact CA-O 3.37Å; K70-V77 HydrophobicContact CB-CG2 4.08Å
71	D	97.8	Very high	96.4	Very high	41 Å²	41	53 Å²	53	22%	0.219	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	102.6	169.8	-175.3	-18.6	0	0	0	108.3	S73 K74 S75 Q76 F78	D71-S73 PolarHBondContact O-N 2.85Å; D71-S73 WeakPolarHBondContact OD1-CB 3.36Å; D71-S73 PolarHBondContact OD1-N 3.32Å; D71-S73 PolarHBondContact OD1-OG 3.26Å; D71-K74 HydrophobicContact CB-CB 4.3Å; D71-K74 PolarHBondContact O-N 2.82Å; D71-K74 PolarHBondContact OD1-N 3.36Å; D71-K74 WeakPolarHBondContact OD2-CD 3.25Å; D71-K74 VanDerWaalsContact OD2-CE 3.24Å; D71-K74 WeakPolarHBondContact OD2-CE 3.25Å; D71-K74 WeakPolarHBondContact OD2-CG 3.32Å; D71-K74 IonicContact OD2-NZ 2.8Å; D71-K74 PolarHBondContact OD2-NZ 2.86Å; D71-S75 PolarHBondContact O-N 2.93Å; D71-S75 VanDerWaalsContact O-N 3.12Å; D71-Q76 PolarHBondContact N-O 3.34Å; D71-Q76 PolarHBondContact O-N 2.87Å; D71-F78 HydrophobicContact CB-CE2 3.86Å; D71-F78 HydrophobicContact CB-CZ 4.48Å
72	N	97.1	Very high	96.5	Very high	73 Å²	73	52.3 Å²	52.3	39%	0.39	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-31.8	-179.6	-60.2	-28.7	0	0	0	111.6	L28 T29 K70 K74 S75	L28-N72 WeakPolarHBondContact CB-OD1 3.38Å; T29-N72 HydrophobicContact CG2-CB 4.31Å; K70-N72 PolarHBondContact NZ-OD1 2.9Å; N72-K74 VanDerWaalsContact C-N 3.29Å; N72-K74 PolarHBondContact O-N 2.87Å; N72-S75 PolarHBondContact O-N 2.97Å
73	S	96.7	Very high	96.6	Very high	103 Å²	103	54.8 Å²	54.8	72%	0.72	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-31.5	-178	74.4	0	0	0	0	112	D71	D71-S73 PolarHBondContact O-N 2.85Å; D71-S73 WeakPolarHBondContact OD1-CB 3.36Å; D71-S73 PolarHBondContact OD1-N 3.32Å; D71-S73 PolarHBondContact OD1-OG 3.26Å
74	K	97.3	Very high	96.7	Very high	125 Å²	125	49.9 Å²	49.9	54%	0.543	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-4.7	177.1	-63.6	-179.8	-170.4	161.5	0	113.6	D71 N72 Q76	D71-K74 HydrophobicContact CB-CB 4.3Å; D71-K74 PolarHBondContact O-N 2.82Å; D71-K74 PolarHBondContact OD1-N 3.36Å; D71-K74 WeakPolarHBondContact OD2-CD 3.25Å; D71-K74 VanDerWaalsContact OD2-CE 3.24Å; D71-K74 WeakPolarHBondContact OD2-CE 3.25Å; D71-K74 WeakPolarHBondContact OD2-CG 3.32Å; D71-K74 IonicContact OD2-NZ 2.8Å; D71-K74 PolarHBondContact OD2-NZ 2.86Å; N72-K74 VanDerWaalsContact C-N 3.29Å; N72-K74 PolarHBondContact O-N 2.87Å; K74-Q76 HydrophobicContact CB-CB 4.16Å; K74-Q76 HydrophobicContact CB-CG 4.12Å; K74-Q76 PolarHBondContact O-N 3.2Å
75	S	97.3	Very high	96.6	Very high	46 Å²	46	49.8 Å²	49.8	32%	0.322	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	45.4	-169.6	-59.2	0	0	0	0	111.8	V23 D71 N72	V23-S75 WeakPolarHBondContact CG2-O 3.36Å; V23-S75 PolarHBondContact N-O 3.48Å; D71-S75 PolarHBondContact O-N 2.93Å; D71-S75 VanDerWaalsContact O-N 3.12Å; N72-S75 PolarHBondContact O-N 2.97Å
76	Q	98.3	Very high	96.4	Very high	48 Å²	48	52 Å²	52	22%	0.224	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	142.3	-176.1	-77.2	176.4	-15.2	0	0	112.4	T20 C21 T22 L28 K70 D71 K74 F78	T20-Q76 HydrophobicContact CG2-CB 4.21Å; T20-Q76 HydrophobicContact CG2-CG 3.94Å; C21-Q76 CarbonylContact O-C 3.56Å; C21-Q76 VanDerWaalsContact O-CA 3.31Å; C21-Q76 WeakPolarHBondContact O-CA 3.23Å; T22-Q76 HydrophobicContact CG2-CG 4.43Å; T22-Q76 PolarHBondContact OG1-NE2 3.16Å; L28-Q76 WeakPolarHBondContact CD1-O 3.35Å; K70-Q76 CarbonylContact C-O 3.53Å; K70-Q76 WeakPolarHBondContact CA-O 3.37Å; D71-Q76 PolarHBondContact N-O 3.34Å; D71-Q76 PolarHBondContact O-N 2.87Å; K74-Q76 HydrophobicContact CB-CB 4.16Å; K74-Q76 HydrophobicContact CB-CG 4.12Å; K74-Q76 PolarHBondContact O-N 3.2Å; Q76-F78 HydrophobicContact CB-CE1 4.25Å; Q76-F78 HydrophobicContact CB-CE2 4.07Å; Q76-F78 HydrophobicContact CB-CZ 3.7Å
77	V	98.4	Very high	96.2	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	132.8	170.4	180	0	0	0	0	107.9	C21 L28 V33 W35 I50 I68 T69 K70	C21-V77 HydrophobicContact CB-CB 4.25Å; C21-V77 PolarHBondContact N-O 3.09Å; C21-V77 PolarHBondContact O-N 2.83Å; L28-V77 HydrophobicContact CD1-CG2 3.9Å; L28-V77 HydrophobicContact CD2-CG2 3.67Å; L28-V77 HydrophobicContact CG-CG2 4.47Å; V33-V77 HydrophobicContact CB-CG1 4.46Å; V33-V77 HydrophobicContact CB-CG2 3.99Å; V33-V77 HydrophobicContact CG1-CB 4.46Å; V33-V77 HydrophobicContact CG1-CG1 4.42Å; V33-V77 HydrophobicContact CG1-CG2 4.28Å; V33-V77 HydrophobicContact CG2-CG2 3.87Å; W35-V77 HydrophobicContact CZ2-CG1 4.21Å; I50-V77 HydrophobicContact CG2-CG1 3.76Å; I50-V77 HydrophobicContact CG2-CG2 4.4Å; I68-V77 HydrophobicContact CG2-CG1 3.9Å; T69-V77 CarbonylContact O-C 3.6Å; T69-V77 WeakPolarHBondContact O-CA 3.33Å; T69-V77 WeakPolarHBondContact O-CG1 3.21Å; K70-V77 HydrophobicContact CB-CG2 4.08Å
78	F	98.2	Very high	96	Very high	60 Å²	60	54.8 Å²	54.8	26%	0.263	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	133.6	-178.2	-51.2	-83.1	0	0	0	109.3	I19 T20 I68 T69 D71 Q76	I19-F78 WeakPolarHBondContact O-CA 3.44Å; T20-F78 HydrophobicContact CG2-CD1 3.97Å; T20-F78 HydrophobicContact CG2-CE1 3.69Å; T20-F78 WeakPolarHBondContact OG1-CD1 3.44Å; I68-F78 WeakPolarHBondContact CA-O 3.07Å; T69-F78 PolarHBondContact N-O 2.88Å; T69-F78 PolarHBondContact O-N 2.97Å; D71-F78 HydrophobicContact CB-CE2 3.86Å; D71-F78 HydrophobicContact CB-CZ 4.48Å; Q76-F78 HydrophobicContact CB-CE1 4.25Å; Q76-F78 HydrophobicContact CB-CE2 4.07Å; Q76-F78 HydrophobicContact CB-CZ 3.7Å
79	F	97.8	Very high	95.8	Very high	1 Å²	1	59.3 Å²	59.3	0%	0.004	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126.7	172.6	170.7	-88.8	0	0	0	108.5	L17 S18 I19 W35 L47 L66 I68 M81 Y92	L17-F79 HydrophobicContact CD2-CE1 4.49Å; S18-F79 CarbonylContact C-O 3.55Å; S18-F79 WeakPolarHBondContact CA-O 3.31Å; I19-F79 HydrophobicContact CB-CB 4.47Å; I19-F79 HydrophobicContact CB-CD1 4.44Å; I19-F79 HydrophobicContact CD1-CD1 4.19Å; I19-F79 HydrophobicContact CG1-CD1 4.32Å; I19-F79 PolarHBondContact N-O 2.87Å; I19-F79 PolarHBondContact O-N 2.85Å; W35-F79 HydrophobicContact CB-CD2 4.07Å; W35-F79 HydrophobicContact CB-CE2 4.36Å; W35-F79 HydrophobicContact CD2-CB 3.69Å; W35-F79 AromaticContact CD2-CD2 3.95Å; W35-F79 HydrophobicContact CD2-CD2 3.95Å; W35-F79 HydrophobicContact CD2-CG 4.02Å; W35-F79 VanDerWaalsContact CE2-CB 3.45Å; W35-F79 HydrophobicContact CE3-CB 3.99Å; W35-F79 HydrophobicContact CE3-CD2 4.37Å; W35-F79 HydrophobicContact CE3-CG 4.17Å; W35-F79 HydrophobicContact CG-CB 4.29Å; W35-F79 AromaticContact CG-CD2 3.79Å; W35-F79 HydrophobicContact CG-CD2 3.79Å; W35-F79 HydrophobicContact CG-CG 4.35Å; W35-F79 HydrophobicContact CH2-CB 3.81Å; W35-F79 HydrophobicContact CZ2-CB 3.52Å; W35-F79 HydrophobicContact CZ3-CB 4.05Å; L47-F79 HydrophobicContact CB-CE2 4.29Å; L47-F79 HydrophobicContact CD1-CE2 3.74Å; L47-F79 HydrophobicContact CD1-CZ 3.69Å; L66-F79 HydrophobicContact CD1-CE2 4.2Å; L66-F79 HydrophobicContact CD2-CD2 4.37Å; L66-F79 HydrophobicContact CD2-CE1 4.27Å; L66-F79 HydrophobicContact CD2-CE2 3.34Å; L66-F79 HydrophobicContact CD2-CZ 3.27Å; L66-F79 HydrophobicContact CG-CE2 4.35Å; I68-F79 HydrophobicContact CG1-CD2 4.07Å; F79-M81 HydrophobicContact CE1-CB 3.93Å; F79-M81 HydrophobicContact CZ-CB 4.13Å; F79-M81 HydrophobicContact CZ-CE 4.15Å; F79-Y92 AromaticContact CE1-CD1 3.89Å; F79-Y92 HydrophobicContact CE1-CD1 3.89Å; F79-Y92 AromaticContact CE1-CE1 3.8Å; F79-Y92 HydrophobicContact CE1-CE1 3.8Å; F79-Y92 HydrophobicContact CZ-CD1 4.11Å; F79-Y92 AromaticContact CZ-CE1 3.88Å; F79-Y92 HydrophobicContact CZ-CE1 3.88Å
80	K	96.9	Very high	95.6	Very high	90 Å²	90	57.3 Å²	57.3	39%	0.391	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	130.8	174.4	-170.1	177.8	-176.4	-172.7	0	110	L17 L66 S67 N82	L17-K80 CarbonylContact O-C 3.52Å; L17-K80 VanDerWaalsContact O-CA 3.25Å; L17-K80 WeakPolarHBondContact O-CA 3.44Å; L66-K80 CarbonylContact C-O 3.45Å; L66-K80 WeakPolarHBondContact CA-O 3.45Å; S67-K80 PolarHBondContact N-O 2.82Å; S67-K80 PolarHBondContact O-N 2.77Å; K80-N82 WeakPolarHBondContact CE-OD1 3.48Å
81	M	95.8	Very high	95.5	Very high	0 Å²	0	60 Å²	60	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	120.9	170.9	-175.5	179.2	-85.5	0	0	109.2	S16 L17 F62 R65 L66 F79 L84 D88	S16-M81 CarbonylContact C-O 3.51Å; S16-M81 VanDerWaalsContact CA-O 3.25Å; S16-M81 WeakPolarHBondContact CA-O 3.44Å; L17-M81 HydrophobicContact CB-CB 4.48Å; L17-M81 PolarHBondContact N-O 2.79Å; L17-M81 PolarHBondContact O-N 3.27Å; F62-M81 HydrophobicContact CD1-CE 3.96Å; R65-M81 HydrophobicContact CB-CG 4.42Å; R65-M81 CarbonylContact O-C 3.59Å; R65-M81 WeakPolarHBondContact O-CA 3.39Å; L66-M81 HydrophobicContact CD2-CB 3.79Å; L66-M81 HydrophobicContact CD2-CE 3.4Å; L66-M81 HydrophobicContact CD2-CG 3.9Å; L66-M81 HydrophobicContact CD2-SD 4.46Å; L66-M81 HydrophobicContact CG-CE 4.21Å; F79-M81 HydrophobicContact CE1-CB 3.93Å; F79-M81 HydrophobicContact CZ-CB 4.13Å; F79-M81 HydrophobicContact CZ-CE 4.15Å; M81-L84 HydrophobicContact CB-CD2 4.32Å; M81-L84 HydrophobicContact CG-CD2 4.07Å; M81-L84 HydrophobicContact SD-CD2 3.81Å; M81-D88 HydrophobicContact SD-CB 4Å; M81-D88 VanDerWaalsContact SD-CG 3.56Å
82	N	95.6	Very high	95.4	Very high	56 Å²	56	59.2 Å²	59.2	30%	0.299	33%	0.331	S	S	.	.			trans	-91.2	158.5	177.9	-58.1	-45.2	0	0	0	110.9	S16 R65 K80 L84	S16-N82 PolarHBondContact OG-OD1 2.8Å; R65-N82 PolarHBondContact NH1-O 3.08Å; R65-N82 PolarHBondContact O-N 2.82Å; K80-N82 WeakPolarHBondContact CE-OD1 3.48Å; N82-L84 PolarHBondContact O-N 2.77Å
83	S	93.4	Very high	95.4	Very high	72 Å²	72	59.7 Å²	59.7	50%	0.503	33%	0.328	S	S	.	.	S	Bend	trans	51.3	58.5	174.3	-56.2	0	0	0	0	111.8	Q15 R65 Q85	Q15-S83 PolarHBondContact O-N 2.89Å; R65-S83 PolarHBondContact NH1-O 2.82Å; R65-S83 VanDerWaalsContact NH1-O 3.07Å; S83-Q85 PolarHBondContact O-N 3.19Å
84	L	93.5	Very high	95.3	Very high	17 Å²	17	56.3 Å²	56.3	9%	0.089	30%	0.304	C	S	.	.			trans	-56.9	138.1	180	-72.5	169.9	0	0	0	111.7	V11 P13 S14 Q15 L17 M81 N82 D88	V11-L84 HydrophobicContact CB-CD1 3.73Å; V11-L84 HydrophobicContact CG1-CD1 3.43Å; V11-L84 VanDerWaalsContact CG1-CD1 3.43Å; P13-L84 WeakPolarHBondContact CA-O 3.5Å; S14-L84 PolarHBondContact N-O 2.93Å; Q15-L84 WeakPolarHBondContact O-CG 3.35Å; Q15-L84 PolarHBondContact O-N 2.84Å; L17-L84 HydrophobicContact CB-CD1 3.81Å; L17-L84 HydrophobicContact CB-CD2 3.89Å; L17-L84 HydrophobicContact CB-CG 4.22Å; L17-L84 HydrophobicContact CD2-CD2 4.38Å; M81-L84 HydrophobicContact CB-CD2 4.32Å; M81-L84 HydrophobicContact CG-CD2 4.07Å; M81-L84 HydrophobicContact SD-CD2 3.81Å; N82-L84 PolarHBondContact O-N 2.77Å; L84-D88 HydrophobicContact CD2-CB 3.93Å
85	Q	92.9	Very high	95.2	Very high	106 Å²	106	52.9 Å²	52.9	50%	0.495	29%	0.292	S	S	.	.			trans	-109.4	161	174.8	-57.5	177.8	3.2	0	0	109.1	S83 D87 D88	S83-Q85 PolarHBondContact O-N 3.19Å; Q85-D87 PolarHBondContact O-N 2.76Å; Q85-D88 PolarHBondContact N-OD2 2.88Å; Q85-D88 WeakPolarHBondContact O-CB 3.41Å; Q85-D88 PolarHBondContact O-N 3.29Å
86	A	90.4	Very high	95.1	Very high	74 Å²	74	53.2 Å²	53.2	61%	0.612	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-56.5	-37.6	178.2	0	0	0	0	0	112	D88 T89	A86-D88 PolarHBondContact O-N 3.12Å; A86-T89 WeakPolarHBondContact O-CB 3.43Å; A86-T89 PolarHBondContact O-N 3.45Å; A86-T89 VanDerWaalsContact O-N 3.15Å; A86-T89 PolarHBondContact O-OG1 3.36Å
87	D	90.3	Very high	95	Very high	116 Å²	116	53.5 Å²	53.5	62%	0.62	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-69.9	-8.4	178.7	-68.7	-11	0	0	0	114	Q85 T89	Q85-D87 PolarHBondContact O-N 2.76Å; D87-T89 PolarHBondContact O-N 3.35Å
88	D	93.4	Very high	94.8	Very high	7 Å²	7	56.6 Å²	56.6	4%	0.037	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-83	-0.5	172.9	-60.5	-44.1	0	0	0	112.9	R37 R65 M81 L84 Q85 A86 A90 Y92	R37-D88 IonicContact CZ-OD1 3.3Å; R37-D88 IonicContact NH1-OD1 2.89Å; R37-D88 PolarHBondContact NH1-OD1 3.19Å; R65-D88 IonicContact CZ-OD1 3.36Å; R65-D88 IonicContact CZ-OD2 2.81Å; R65-D88 IonicContact NH1-OD1 2.68Å; R65-D88 IonicContact NH1-OD2 3.49Å; R65-D88 PolarHBondContact NH1-OD2 3.39Å; R65-D88 IonicContact NH2-OD1 3.15Å; R65-D88 PolarHBondContact NH2-OD1 3.37Å; R65-D88 IonicContact NH2-OD2 3.94Å; R65-D88 PolarHBondContact NH2-OD2 2.86Å; R65-D88 VanDerWaalsContact NH2-OD2 3.15Å; M81-D88 HydrophobicContact SD-CB 4Å; M81-D88 VanDerWaalsContact SD-CG 3.56Å; L84-D88 HydrophobicContact CD2-CB 3.93Å; Q85-D88 PolarHBondContact N-OD2 2.88Å; Q85-D88 WeakPolarHBondContact O-CB 3.41Å; Q85-D88 PolarHBondContact O-N 3.29Å; A86-D88 PolarHBondContact O-N 3.12Å; D88-A90 PolarHBondContact O-N 3.06Å; D88-A90 VanDerWaalsContact O-N 3.11Å; D88-Y92 PolarHBondContact O-OH 2.83Å
89	T	94.3	Very high	94.5	Very high	100 Å²	100	56.4 Å²	56.4	61%	0.613	31%	0.314	S	S	*	.			trans	-65.4	110.3	171.9	-55.4	0	0	0	0	109.8	S39 P40 A86 D87	S39-T89 PolarHBondContact OG-O 3.01Å; P40-T89 WeakPolarHBondContact CD-O 3.47Å; A86-T89 WeakPolarHBondContact O-CB 3.43Å; A86-T89 PolarHBondContact O-N 3.45Å; A86-T89 VanDerWaalsContact O-N 3.15Å; A86-T89 PolarHBondContact O-OG1 3.36Å; D87-T89 PolarHBondContact O-N 3.35Å
90	A	95.1	Very high	94.3	Very high	25 Å²	25	60.1 Å²	60.1	21%	0.207	33%	0.334	C	S	.	.	S	Bend	trans	-160.9	165.4	-175.8	0	0	0	0	0	111.2	R37 Q38 D88 Y92	R37-A90 HydrophobicContact CB-CB 3.87Å; R37-A90 HydrophobicContact CG-CB 4.28Å; Q38-A90 WeakPolarHBondContact O-CA 3.48Å; Q38-A90 WeakPolarHBondContact O-CB 3.08Å; D88-A90 PolarHBondContact O-N 3.06Å; D88-A90 VanDerWaalsContact O-N 3.11Å; A90-Y92 HydrophobicContact CB-CD2 4.45Å; A90-Y92 HydrophobicContact CB-CE2 3.98Å; A90-Y92 VanDerWaalsContact O-CD2 3.28Å; A90-Y92 WeakPolarHBondContact O-CD2 3.44Å; A90-Y92 WeakPolarHBondContact O-CE2 3.39Å
91	I	95.4	Very high	94.1	Very high	100 Å²	100	58 Å²	58	51%	0.513	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	131.6	161.3	-53.8	175.5	0	0	0	107.6	R37 Q38 Y93	R37-I91 CarbonylContact C-O 3.59Å; R37-I91 WeakPolarHBondContact CA-O 3.44Å; Q38-I91 PolarHBondContact N-O 2.98Å; Q38-I91 PolarHBondContact O-N 3.22Å; I91-Y93 HydrophobicContact CB-CE2 3.97Å; I91-Y93 HydrophobicContact CG2-CD1 4.35Å; I91-Y93 HydrophobicContact CG2-CD2 4.45Å; I91-Y93 HydrophobicContact CG2-CE1 3.63Å; I91-Y93 HydrophobicContact CG2-CE2 3.76Å; I91-Y93 WeakPolarHBondContact CG2-OH 3.24Å
92	Y	96.1	Very high	94	Very high	25 Å²	25	62.5 Å²	62.5	10%	0.098	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	129.8	-179.1	-71	-99.1	0	0	0	110.2	L17 I19 R37 L47 F79 D88 A90	L17-Y92 HydrophobicContact CD2-CD2 4.23Å; L17-Y92 HydrophobicContact CD2-CE1 4.27Å; L17-Y92 HydrophobicContact CD2-CE2 3.79Å; I19-Y92 HydrophobicContact CD1-CD1 4.05Å; I19-Y92 HydrophobicContact CD1-CD2 4.03Å; I19-Y92 HydrophobicContact CD1-CG 3.56Å; R37-Y92 HydrophobicContact CB-CD1 4.02Å; R37-Y92 HydrophobicContact CB-CE1 4.04Å; R37-Y92 HydrophobicContact CB-CG 4.43Å; L47-Y92 HydrophobicContact CD1-CD1 3.85Å; L47-Y92 HydrophobicContact CD1-CE1 3.79Å; F79-Y92 AromaticContact CE1-CD1 3.89Å; F79-Y92 HydrophobicContact CE1-CD1 3.89Å; F79-Y92 AromaticContact CE1-CE1 3.8Å; F79-Y92 HydrophobicContact CE1-CE1 3.8Å; F79-Y92 HydrophobicContact CZ-CD1 4.11Å; F79-Y92 AromaticContact CZ-CE1 3.88Å; F79-Y92 HydrophobicContact CZ-CE1 3.88Å; D88-Y92 PolarHBondContact O-OH 2.83Å; A90-Y92 HydrophobicContact CB-CD2 4.45Å; A90-Y92 HydrophobicContact CB-CE2 3.98Å; A90-Y92 VanDerWaalsContact O-CD2 3.28Å; A90-Y92 WeakPolarHBondContact O-CD2 3.44Å; A90-Y92 WeakPolarHBondContact O-CE2 3.39Å
93	Y	96.2	Very high	93.9	Very high	82 Å²	82	63 Å²	63	32%	0.322	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	128.4	-178.5	-54.1	-80.5	0	0	0	109.6	W35 V36 Q38 L44 I91	W35-Y93 WeakPolarHBondContact CA-O 3.37Å; V36-Y93 PolarHBondContact N-O 2.59Å; V36-Y93 PolarHBondContact O-N 3.28Å; Q38-Y93 HydrophobicContact CB-CE2 3.94Å; L44-Y93 HydrophobicContact CD2-CD2 4.45Å; L44-Y93 HydrophobicContact CD2-CE2 4.29Å; I91-Y93 HydrophobicContact CB-CE2 3.97Å; I91-Y93 HydrophobicContact CG2-CD1 4.35Å; I91-Y93 HydrophobicContact CG2-CD2 4.45Å; I91-Y93 HydrophobicContact CG2-CE1 3.63Å; I91-Y93 HydrophobicContact CG2-CE2 3.76Å; I91-Y93 WeakPolarHBondContact CG2-OH 3.24Å
94	C	95.6	Very high	93.9	Very high	32 Å²	32	62.2 Å²	62.2	22%	0.216	35%	0.347	C	S	.	.			trans	-93.9	0	140.1	72.9	0	0	0	0	107.8	L3 Q5 C21 V33 H34 W35	L3-C94 WeakPolarHBondContact CD1-O 3.44Å; Q5-C94 PolarHBondContact NE2-OXT 3.49Å; C21-C94 HydrophobicContact CB-CB 3.58Å; C21-C94 WeakPolarHBondContact CB-SG 3.39Å; C21-C94 WeakPolarHBondContact SG-CB 3.17Å; C21-C94 CovalentContact SG-SG 2.02Å; C21-C94 PolarHBondContact SG-SG 2.93Å; V33-C94 HydrophobicContact CG1-CB 3.93Å; H34-C94 WeakPolarHBondContact O-CA 3.43Å; W35-C94 HydrophobicContact CD2-CB 4.26Å; W35-C94 HydrophobicContact CE3-CB 4.13Å; W35-C94 HydrophobicContact CH2-CB 4.02Å; W35-C94 HydrophobicContact CZ2-CB 4.12Å; W35-C94 HydrophobicContact CZ3-CB 4Å

Retrieved 94 of 94 residues in 34.9 ms (Link to these results)

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