A0A5K4EEZ2_SCHMA Loading...

UPF0587 protein

AlphaFold DB , UniProt , Accession A0A5K4EEZ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 138 aa.

						>A0A5K4EEZ2_SCHMA|A0A5K4EEZ2
MVLLGVQISCELTNLTNLSPSCDDFRWYLKVKCGNCGEDTHDYVYIDGLEKTPIQDSRGDANLVIRCKFCKRVSNADIIPGSILPYSLDDSGHFKTIAKFDCRGLEFTEFSPRSGWSASSVNSDAVFDDISLTDEVKQ
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	80.8	Confident	94.9	Very high	160 Å²	160	73.2 Å²	73.2	79%	0.788	41%	0.405	S	S	*	.				0	125.2	0	-168.1	-177.4	84.2	0	0	105.8	D101 C102 R103	M1-D101 WeakPolarHBondContact CG-OD1 3.41Å; M1-C102 WeakPolarHBondContact CA-O 2.86Å; M1-R103 PolarHBondContact SD-NH2 3.31Å
2	V	93	Very high	95	Very high	78 Å²	78	69.1 Å²	69.1	47%	0.473	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	136.2	-175.7	-139.8	0	0	0	0	107.6	C102	V2-C102 PolarHBondContact N-O 3.14Å; V2-C102 PolarHBondContact O-N 3.29Å
3	L	96.6	Very high	95.1	Very high	111 Å²	111	72.3 Å²	72.3	58%	0.581	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.1	120.6	174.3	-61.1	-175.3	0	0	0	108.8	I79 F100 D101	L3-I79 HydrophobicContact CD1-CD1 4.37Å; L3-I79 HydrophobicContact CD2-CD1 3.59Å; L3-I79 HydrophobicContact CG-CD1 4.44Å; L3-F100 WeakPolarHBondContact CA-O 3.43Å; L3-D101 HydrophobicContact CD2-CB 4.13Å
4	L	97.6	Very high	95.2	Very high	41 Å²	41	74.3 Å²	74.3	22%	0.215	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	138.7	176.9	-59.5	-178.9	0	0	0	109.4	K99 F100 C102 F107	L4-K99 CarbonylContact O-C 3.51Å; L4-K99 WeakPolarHBondContact O-CA 3.27Å; L4-F100 PolarHBondContact N-O 3.4Å; L4-F100 PolarHBondContact O-N 3.43Å; L4-C102 HydrophobicContact CD1-CB 4.01Å; L4-C102 HydrophobicContact CG-CB 4.31Å; L4-F107 HydrophobicContact CB-CD2 3.78Å; L4-F107 HydrophobicContact CB-CE2 3.67Å; L4-F107 HydrophobicContact CB-CZ 4.4Å; L4-F107 HydrophobicContact CD1-CD1 4.19Å; L4-F107 HydrophobicContact CD1-CD2 4.01Å; L4-F107 HydrophobicContact CD1-CE1 4.41Å; L4-F107 HydrophobicContact CD1-CE2 4.23Å; L4-F107 HydrophobicContact CD1-CG 3.99Å; L4-F107 HydrophobicContact CD1-CZ 4.43Å
5	G	97.1	Very high	95.3	Very high	41 Å²	41	72.7 Å²	72.7	42%	0.423	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	136.6	178.8	0	0	0	0	0	111	A98	G5-A98 WeakPolarHBondContact CA-O 3.4Å
6	V	97.5	Very high	95.5	Very high	8 Å²	8	69.6 Å²	69.6	5%	0.048	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	122.9	165.3	170.9	0	0	0	0	107.6	W27 L29 T96 I97 A98 F100 F110	V6-W27 HydrophobicContact CB-CZ3 4.44Å; V6-W27 HydrophobicContact CG1-CE3 4.47Å; V6-W27 HydrophobicContact CG1-CZ3 4.16Å; V6-L29 HydrophobicContact CG2-CD2 4.07Å; V6-T96 WeakPolarHBondContact O-CA 3.22Å; V6-I97 HydrophobicContact CG1-CD1 4.44Å; V6-I97 HydrophobicContact CG1-CG1 4.27Å; V6-I97 PolarHBondContact O-N 2.95Å; V6-A98 PolarHBondContact N-O 2.89Å; V6-F100 HydrophobicContact CB-CE2 4.27Å; V6-F100 HydrophobicContact CG2-CD2 4.41Å; V6-F100 HydrophobicContact CG2-CE2 3.64Å; V6-F100 HydrophobicContact CG2-CZ 4.38Å; V6-F110 HydrophobicContact CG1-CD1 3.64Å; V6-F110 HydrophobicContact CG1-CD2 4.17Å; V6-F110 HydrophobicContact CG1-CE1 3.69Å; V6-F110 HydrophobicContact CG1-CE2 4.24Å; V6-F110 HydrophobicContact CG1-CG 3.89Å; V6-F110 HydrophobicContact CG1-CZ 3.99Å; V6-F110 HydrophobicContact CG2-CD2 4.46Å
7	Q	97.1	Very high	95.6	Very high	105 Å²	105	69.8 Å²	69.8	49%	0.491	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	140	173.1	-59.4	-166	-45.3	0	0	110.1	F94 K95 T96	Q7-F94 HydrophobicContact CB-CD1 4.16Å; Q7-K95 WeakPolarHBondContact CA-O 3.3Å; Q7-T96 WeakPolarHBondContact CG-OG1 3.45Å; Q7-T96 PolarHBondContact NE2-OG1 2.59Å
8	I	96.5	Very high	95.8	Very high	24 Å²	24	66.5 Å²	66.5	12%	0.123	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	157	169.7	63.8	165	0	0	0	109.3	L18 Y86 F94 K95 I97 F110	I8-L18 HydrophobicContact CD1-CD2 4.21Å; I8-Y86 HydrophobicContact CD1-CD2 3.82Å; I8-Y86 HydrophobicContact CD1-CE2 4.49Å; I8-Y86 HydrophobicContact CD1-CG 3.94Å; I8-Y86 HydrophobicContact CG1-CD2 3.62Å; I8-Y86 HydrophobicContact CG1-CE2 4.05Å; I8-Y86 HydrophobicContact CG1-CG 4.28Å; I8-Y86 WeakPolarHBondContact O-CE2 3.49Å; I8-F94 WeakPolarHBondContact O-CA 3.48Å; I8-K95 PolarHBondContact N-O 2.9Å; I8-K95 PolarHBondContact O-N 2.83Å; I8-I97 HydrophobicContact CB-CD1 4.41Å; I8-I97 HydrophobicContact CD1-CD1 3.87Å; I8-I97 HydrophobicContact CD1-CG2 4.07Å; I8-I97 HydrophobicContact CG1-CD1 3.88Å; I8-I97 HydrophobicContact CG1-CG1 4.25Å; I8-I97 HydrophobicContact CG1-CG2 3.76Å; I8-I97 HydrophobicContact CG2-CD1 3.67Å; I8-I97 HydrophobicContact CG2-CG1 4.31Å; I8-F110 HydrophobicContact CG2-CD1 4.49Å; I8-F110 HydrophobicContact CG2-CE1 3.95Å
9	S	96.1	Very high	95.8	Very high	54 Å²	54	64.7 Å²	64.7	38%	0.378	36%	0.362	S	S	.	.			trans	-140.2	117.2	169.4	179.8	0	0	0	0	106.8
10	C	94.6	Very high	95.9	Very high	39 Å²	39	62.6 Å²	62.6	26%	0.264	35%	0.351	S	S	.	.			trans	-138.5	158.9	177.4	55.6	0	0	0	0	111	Y86 G92	C10-Y86 PolarHBondContact N-OH 3.35Å; C10-Y86 PolarHBondContact O-OH 2.73Å; C10-Y86 VanDerWaalsContact SG-CD1 3.57Å; C10-Y86 WeakPolarHBondContact SG-CE1 3.43Å; C10-G92 PolarHBondContact O-N 3.4Å
11	E	96.4	Very high	95.8	Very high	144 Å²	144	61.7 Å²	61.7	67%	0.673	35%	0.349	S	S	*	.			trans	-95.9	118.9	172.7	-68	-62	164.3	0	0	109.6	S91 G92	E11-S91 WeakPolarHBondContact CA-OG 3.32Å; E11-S91 PolarHBondContact OE2-OG 2.86Å; E11-G92 WeakPolarHBondContact OE1-CA 3.4Å
12	L	96.2	Very high	96.4	Very high	24 Å²	24	56.6 Å²	56.6	13%	0.126	33%	0.328	C	S	.	.			trans	-98.1	128	179.3	-63	-176	0	0	0	110.5	Y86 L88 S91	L12-Y86 HydrophobicContact CD1-CD1 3.85Å; L12-Y86 HydrophobicContact CD1-CE1 4.17Å; L12-Y86 HydrophobicContact CG-CD1 4.27Å; L12-Y86 HydrophobicContact CG-CE1 4.21Å; L12-L88 HydrophobicContact CB-CD1 4.01Å; L12-S91 PolarHBondContact N-OG 3.36Å
13	T	96.4	Very high	96.2	Very high	111 Å²	111	59.2 Å²	59.2	68%	0.681	34%	0.34	S	S	*	.	S	Bend	trans	-116.3	111.3	174	-58.6	0	0	0	0	109.7	L15	T13-L15 PolarHBondContact O-N 2.73Å; T13-L15 VanDerWaalsContact O-N 3.09Å
14	N	96.5	Very high	96	Very high	100 Å²	100	58.1 Å²	58.1	54%	0.535	34%	0.335	S	S	.	.	S	Bend	trans	58	15.7	-177.7	-58.7	-49.1	0	0	0	115.4	V121	N14-V121 PolarHBondContact O-N 3.24Å
15	L	97.5	Very high	96	Very high	50 Å²	50	56.6 Å²	56.6	26%	0.262	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	153.4	176.7	-66.9	176.6	0	0	0	110.6	T13 A118 S119 V121 F127	T13-L15 PolarHBondContact O-N 2.73Å; T13-L15 VanDerWaalsContact O-N 3.09Å; L15-A118 HydrophobicContact CD2-CB 4.46Å; L15-S119 CarbonylContact C-O 3.56Å; L15-S119 VanDerWaalsContact CA-O 3.32Å; L15-S119 WeakPolarHBondContact CA-O 3.2Å; L15-V121 WeakPolarHBondContact O-CG2 3.28Å; L15-F127 HydrophobicContact CD2-CD2 3.59Å; L15-F127 HydrophobicContact CD2-CE2 3.59Å
16	T	98.1	Very high	96	Very high	24 Å²	24	59.7 Å²	59.7	15%	0.147	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	173.9	171.5	-167.9	0	0	0	0	109.6	L18 L88 S119 V121	T16-L18 VanDerWaalsContact C-N 3.31Å; T16-L18 PolarHBondContact O-N 3.17Å; T16-L88 PolarHBondContact OG1-N 3.05Å; T16-L88 VanDerWaalsContact OG1-N 3.14Å; T16-S119 PolarHBondContact N-O 2.86Å; T16-S119 PolarHBondContact O-N 3.3Å; T16-V121 HydrophobicContact CG2-CG2 4.22Å
17	N	97.5	Very high	96	Very high	72 Å²	72	59.4 Å²	59.4	39%	0.385	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	54.2	39.9	175.6	-59.6	-29.7	0	0	0	114.8	S19 P85 Y86	N17-S19 PolarHBondContact O-N 2.69Å; N17-S19 PolarHBondContact O-OG 2.87Å; N17-P85 HydrophobicContact CB-CB 4.38Å; N17-Y86 PolarHBondContact N-O 3.13Å
18	L	98	Very high	96	Very high	11 Å²	11	56.2 Å²	56.2	6%	0.058	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	119.8	172.4	177.1	70	0	0	0	109.4	I8 T16 P85 Y86 W116 S117 A118 L132	I8-L18 HydrophobicContact CD1-CD2 4.21Å; T16-L18 VanDerWaalsContact C-N 3.31Å; T16-L18 PolarHBondContact O-N 3.17Å; L18-P85 WeakPolarHBondContact O-CA 3.41Å; L18-Y86 PolarHBondContact N-O 3.38Å; L18-Y86 PolarHBondContact O-N 2.65Å; L18-W116 HydrophobicContact CD1-CB 3.93Å; L18-W116 HydrophobicContact CD1-CD2 4.48Å; L18-W116 HydrophobicContact CD1-CE3 4.09Å; L18-W116 HydrophobicContact CD1-CG 4.45Å; L18-W116 HydrophobicContact CG-CE3 4.04Å; L18-S117 CarbonylContact C-O 3.51Å; L18-S117 VanDerWaalsContact CA-O 3.31Å; L18-S117 WeakPolarHBondContact CA-O 3.5Å; L18-A118 HydrophobicContact CB-CB 4.46Å; L18-A118 HydrophobicContact CD1-CB 4.24Å; L18-L132 HydrophobicContact CD1-CD1 4.46Å; L18-L132 HydrophobicContact CD2-CD1 4.13Å
19	S	97.4	Very high	96.1	Very high	33 Å²	33	55.2 Å²	55.2	23%	0.231	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	164.3	-176.3	53.4	0	0	0	0	111.4	N17 S21 W116 S117	N17-S19 PolarHBondContact O-N 2.69Å; N17-S19 PolarHBondContact O-OG 2.87Å; S19-S21 PolarHBondContact O-N 3.05Å; S19-W116 CarbonylContact O-C 3.55Å; S19-W116 WeakPolarHBondContact O-CA 3.37Å; S19-S117 PolarHBondContact N-O 3.2Å; S19-S117 PolarHBondContact O-N 2.93Å
20	P	97.1	Very high	96.1	Very high	21 Å²	21	55.1 Å²	55.1	14%	0.136	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.5	133.8	165.3	-30.8	39.4	0	0	0	112	F25 W27 I83	P20-F25 HydrophobicContact CB-CB 3.69Å; P20-F25 HydrophobicContact CB-CD1 4.05Å; P20-F25 HydrophobicContact CB-CD2 3.72Å; P20-F25 HydrophobicContact CB-CE2 4.37Å; P20-F25 HydrophobicContact CB-CG 3.54Å; P20-F25 HydrophobicContact CG-CB 4.43Å; P20-F25 HydrophobicContact CG-CD1 3.93Å; P20-F25 HydrophobicContact CG-CD2 4.28Å; P20-F25 HydrophobicContact CG-CE1 4.24Å; P20-F25 HydrophobicContact CG-CG 3.95Å; P20-W27 HydrophobicContact CG-CH2 4.14Å; P20-W27 HydrophobicContact CG-CZ2 3.7Å; P20-I83 HydrophobicContact CG-CG2 4.02Å
21	S	93.9	Very high	96.3	Very high	45 Å²	45	53.5 Å²	53.5	32%	0.315	28%	0.283	S	S	.	.	S	Bend	trans	-77	-20.7	-178.4	60.7	0	0	0	0	113.8	S19 G115	S19-S21 PolarHBondContact O-N 3.05Å; S21-G115 PolarHBondContact N-O 3.46Å; S21-G115 PolarHBondContact OG-O 3.3Å
22	C	92.4	Very high	96.4	Very high	52 Å²	52	49.9 Å²	49.9	35%	0.351	27%	0.265	S	S	.	.	S	Bend	trans	-147.8	165.5	-171.8	57.5	0	0	0	0	112.7	D24 F25	C22-D24 VanDerWaalsContact CB-OD1 3.28Å; C22-D24 WeakPolarHBondContact CB-OD1 3.21Å; C22-D24 PolarHBondContact SG-OD1 2.7Å; C22-F25 WeakPolarHBondContact O-CB 3.27Å; C22-F25 PolarHBondContact O-N 2.96Å
23	D	89.5	Confident	96.5	Very high	134 Å²	134	49.2 Å²	49.2	72%	0.717	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-24.6	-179.6	-68.3	-26.7	0	0	0	113.2	F25 L49	D23-F25 PolarHBondContact O-N 2.89Å; D23-L49 HydrophobicContact CB-CD1 4.15Å; D23-L49 HydrophobicContact CB-CD2 3.97Å; D23-L49 HydrophobicContact CB-CG 4.13Å
24	D	92.7	Very high	96.5	Very high	88 Å²	88	46.4 Å²	46.4	47%	0.471	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	22.8	174.5	65.6	-35.5	0	0	0	113	C22 R26 L49	C22-D24 VanDerWaalsContact CB-OD1 3.28Å; C22-D24 WeakPolarHBondContact CB-OD1 3.21Å; C22-D24 PolarHBondContact SG-OD1 2.7Å; D24-R26 PolarHBondContact O-N 2.91Å; D24-L49 HydrophobicContact CB-CD1 3.88Å; D24-L49 HydrophobicContact CB-CG 4.5Å
25	F	96.8	Very high	96.5	Very high	8 Å²	8	45.6 Å²	45.6	4%	0.035	25%	0.252	C	S	.	.			trans	-62.5	132.7	177.5	-177.3	-90.6	0	0	0	111.7	P20 C22 D23 W27 G115 W116	P20-F25 HydrophobicContact CB-CB 3.69Å; P20-F25 HydrophobicContact CB-CD1 4.05Å; P20-F25 HydrophobicContact CB-CD2 3.72Å; P20-F25 HydrophobicContact CB-CE2 4.37Å; P20-F25 HydrophobicContact CB-CG 3.54Å; P20-F25 HydrophobicContact CG-CB 4.43Å; P20-F25 HydrophobicContact CG-CD1 3.93Å; P20-F25 HydrophobicContact CG-CD2 4.28Å; P20-F25 HydrophobicContact CG-CE1 4.24Å; P20-F25 HydrophobicContact CG-CG 3.95Å; C22-F25 WeakPolarHBondContact O-CB 3.27Å; C22-F25 PolarHBondContact O-N 2.96Å; D23-F25 PolarHBondContact O-N 2.89Å; F25-W27 AromaticContact CD1-CD1 3.87Å; F25-W27 AromaticContact CD1-CD2 3.96Å; F25-W27 HydrophobicContact CD1-CD2 3.96Å; F25-W27 AromaticContact CD1-CE2 3.63Å; F25-W27 HydrophobicContact CD1-CG 4.12Å; F25-W27 HydrophobicContact CD1-CZ2 4.09Å; F25-W27 AromaticContact CD1-NE1 3.58Å; F25-W27 AromaticContact CE1-CD2 3.77Å; F25-W27 HydrophobicContact CE1-CD2 3.77Å; F25-W27 AromaticContact CE1-CE2 3.81Å; F25-W27 HydrophobicContact CE1-CE3 4.07Å; F25-W27 HydrophobicContact CE1-CG 4.16Å; F25-W27 HydrophobicContact CE1-CH2 4.39Å; F25-W27 HydrophobicContact CE1-CZ2 4.13Å; F25-W27 HydrophobicContact CE1-CZ3 4.36Å; F25-G115 WeakPolarHBondContact CD2-O 3.44Å; F25-G115 VanDerWaalsContact CE2-O 3.28Å; F25-G115 WeakPolarHBondContact CE2-O 3.41Å; F25-W116 HydrophobicContact CE1-CZ2 4.23Å; F25-W116 HydrophobicContact CE2-CD2 4.19Å; F25-W116 AromaticContact CE2-CE2 3.9Å; F25-W116 HydrophobicContact CE2-CG 4.38Å; F25-W116 HydrophobicContact CE2-CZ2 4.32Å; F25-W116 AromaticContact CE2-NE1 3.86Å; F25-W116 HydrophobicContact CZ-CD2 4.18Å; F25-W116 AromaticContact CZ-CE2 3.51Å; F25-W116 HydrophobicContact CZ-CH2 4.13Å; F25-W116 AromaticContact CZ-CZ2 3.49Å; F25-W116 HydrophobicContact CZ-CZ2 3.49Å; F25-W116 VanDerWaalsContact CZ-CZ2 3.49Å; F25-W116 AromaticContact CZ-NE1 3.7Å
26	R	97.1	Very high	96.6	Very high	107 Å²	107	45.4 Å²	45.4	40%	0.404	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	111.3	-176.7	-69.1	-179.6	-178.7	167.9	2.6	111.8	D24 Y28 Y45	D24-R26 PolarHBondContact O-N 2.91Å; R26-Y28 HydrophobicContact CB-CD2 4.11Å; R26-Y28 HydrophobicContact CB-CE1 4.47Å; R26-Y28 HydrophobicContact CB-CE2 3.49Å; R26-Y28 VanDerWaalsContact CB-CE2 3.49Å; R26-Y28 VanDerWaalsContact CD-OH 3.23Å; R26-Y28 WeakPolarHBondContact CD-OH 3.3Å; R26-Y28 WeakPolarHBondContact O-CD2 3.3Å; R26-Y28 PolarHBondContact O-N 3.25Å; R26-Y45 HydrophobicContact CB-CD2 4.45Å; R26-Y45 HydrophobicContact CB-CG 4.33Å; R26-Y45 HydrophobicContact CG-CD2 3.95Å; R26-Y45 HydrophobicContact CG-CE2 4.49Å; R26-Y45 HydrophobicContact CG-CG 4.2Å
27	W	97.5	Very high	96.5	Very high	1 Å²	1	46.1 Å²	46.1	0%	0.004	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	94.8	172.8	-62.7	89.3	0	0	0	110.4	V6 P20 F25 L29 Y45 I46 I83 I97 A98 F100 F110 W116	V6-W27 HydrophobicContact CB-CZ3 4.44Å; V6-W27 HydrophobicContact CG1-CE3 4.47Å; V6-W27 HydrophobicContact CG1-CZ3 4.16Å; P20-W27 HydrophobicContact CG-CH2 4.14Å; P20-W27 HydrophobicContact CG-CZ2 3.7Å; F25-W27 AromaticContact CD1-CD1 3.87Å; F25-W27 AromaticContact CD1-CD2 3.96Å; F25-W27 HydrophobicContact CD1-CD2 3.96Å; F25-W27 AromaticContact CD1-CE2 3.63Å; F25-W27 HydrophobicContact CD1-CG 4.12Å; F25-W27 HydrophobicContact CD1-CZ2 4.09Å; F25-W27 AromaticContact CD1-NE1 3.58Å; F25-W27 AromaticContact CE1-CD2 3.77Å; F25-W27 HydrophobicContact CE1-CD2 3.77Å; F25-W27 AromaticContact CE1-CE2 3.81Å; F25-W27 HydrophobicContact CE1-CE3 4.07Å; F25-W27 HydrophobicContact CE1-CG 4.16Å; F25-W27 HydrophobicContact CE1-CH2 4.39Å; F25-W27 HydrophobicContact CE1-CZ2 4.13Å; F25-W27 HydrophobicContact CE1-CZ3 4.36Å; W27-L29 PolarHBondContact O-N 3Å; W27-Y45 VanDerWaalsContact O-CA 3.29Å; W27-Y45 WeakPolarHBondContact O-CA 3.27Å; W27-I46 HydrophobicContact CB-CB 4.41Å; W27-I46 PolarHBondContact N-O 3Å; W27-I46 PolarHBondContact O-N 3Å; W27-I46 VanDerWaalsContact O-N 3.13Å; W27-I83 HydrophobicContact CZ2-CD1 4.33Å; W27-I83 HydrophobicContact CZ2-CG1 4.3Å; W27-I83 HydrophobicContact CZ2-CG2 4.46Å; W27-I97 HydrophobicContact CH2-CD1 3.79Å; W27-I97 HydrophobicContact CH2-CG1 4.1Å; W27-I97 HydrophobicContact CZ3-CD1 3.71Å; W27-I97 HydrophobicContact CZ3-CG1 4.13Å; W27-A98 HydrophobicContact CD2-CB 4.42Å; W27-A98 HydrophobicContact CE3-CB 4.32Å; W27-A98 HydrophobicContact CH2-CB 3.44Å; W27-A98 VanDerWaalsContact CH2-CB 3.44Å; W27-A98 HydrophobicContact CZ2-CB 3.53Å; W27-A98 HydrophobicContact CZ3-CB 3.85Å; W27-F100 HydrophobicContact CB-CE1 4.21Å; W27-F100 HydrophobicContact CB-CZ 3.98Å; W27-F100 AromaticContact CD2-CZ 3.76Å; W27-F100 HydrophobicContact CD2-CZ 3.76Å; W27-F100 HydrophobicContact CE3-CZ 4.14Å; W27-F100 HydrophobicContact CG-CE1 4.04Å; W27-F100 AromaticContact CG-CZ 3.66Å; W27-F100 HydrophobicContact CG-CZ 3.66Å; W27-F110 AromaticContact CE3-CE2 3.71Å; W27-F110 HydrophobicContact CE3-CE2 3.71Å; W27-F110 AromaticContact CE3-CZ 3.91Å; W27-F110 HydrophobicContact CE3-CZ 3.91Å; W27-F110 HydrophobicContact CZ3-CE2 4.27Å; W27-F110 AromaticContact CZ3-CZ 4Å; W27-F110 HydrophobicContact CZ3-CZ 4Å; W27-W116 HydrophobicContact CH2-CH2 4.41Å; W27-W116 HydrophobicContact CZ3-CH2 4.31Å
28	Y	98	Very high	96.6	Very high	39 Å²	39	47.4 Å²	47.4	15%	0.153	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	120.3	-178.9	-64.3	-86.7	0	0	0	112.1	R26 V44 Y45 F110 S111 R113	R26-Y28 HydrophobicContact CB-CD2 4.11Å; R26-Y28 HydrophobicContact CB-CE1 4.47Å; R26-Y28 HydrophobicContact CB-CE2 3.49Å; R26-Y28 VanDerWaalsContact CB-CE2 3.49Å; R26-Y28 VanDerWaalsContact CD-OH 3.23Å; R26-Y28 WeakPolarHBondContact CD-OH 3.3Å; R26-Y28 WeakPolarHBondContact O-CD2 3.3Å; R26-Y28 PolarHBondContact O-N 3.25Å; Y28-V44 CarbonylContact C-O 3.47Å; Y28-V44 VanDerWaalsContact CA-O 3.26Å; Y28-V44 WeakPolarHBondContact CA-O 3.4Å; Y28-Y45 HydrophobicContact CD1-CD1 4.43Å; Y28-Y45 AromaticContact CE1-CD1 3.92Å; Y28-Y45 HydrophobicContact CE1-CD1 3.92Å; Y28-Y45 HydrophobicContact CE1-CG 4.25Å; Y28-F110 VanDerWaalsContact O-CD2 3.3Å; Y28-F110 WeakPolarHBondContact O-CD2 3.46Å; Y28-S111 WeakPolarHBondContact CB-O 3.39Å; Y28-S111 PolarHBondContact O-N 2.96Å; Y28-R113 HydrophobicContact CD2-CB 4.23Å; Y28-R113 VanDerWaalsContact CD2-CD 3.41Å; Y28-R113 HydrophobicContact CD2-CG 3.88Å; Y28-R113 HydrophobicContact CE2-CB 4.38Å; Y28-R113 HydrophobicContact CE2-CG 4.33Å; Y28-R113 HydrophobicContact CG-CG 4.42Å
29	L	97.6	Very high	96.6	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.01	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	145.2	-174.1	-61.8	157.5	0	0	0	110.6	V6 W27 V31 V44 I46 F107 E109 F110	V6-L29 HydrophobicContact CG2-CD2 4.07Å; W27-L29 PolarHBondContact O-N 3Å; L29-V31 HydrophobicContact CB-CG1 4.16Å; L29-V44 PolarHBondContact N-O 2.93Å; L29-V44 WeakPolarHBondContact O-CG2 3.16Å; L29-V44 PolarHBondContact O-N 2.96Å; L29-I46 HydrophobicContact CD1-CD1 3.66Å; L29-I46 HydrophobicContact CD1-CG1 4.15Å; L29-F107 HydrophobicContact CD1-CD1 4Å; L29-F107 HydrophobicContact CD1-CD2 4.34Å; L29-F107 HydrophobicContact CD1-CE1 3.69Å; L29-F107 HydrophobicContact CD1-CE2 4.06Å; L29-F107 HydrophobicContact CD1-CG 4.31Å; L29-F107 HydrophobicContact CD1-CZ 3.72Å; L29-F107 HydrophobicContact CD2-CB 4.48Å; L29-F107 HydrophobicContact CD2-CD2 4.26Å; L29-F107 HydrophobicContact CD2-CG 4.2Å; L29-E109 CarbonylContact C-O 3.57Å; L29-E109 VanDerWaalsContact CA-O 3.22Å; L29-E109 WeakPolarHBondContact CA-O 3.4Å; L29-F110 HydrophobicContact CD2-CB 3.91Å; L29-F110 HydrophobicContact CD2-CD2 3.73Å; L29-F110 HydrophobicContact CD2-CG 4.25Å; L29-F110 HydrophobicContact CG-CD2 4.43Å
30	K	97.6	Very high	96.6	Very high	53 Å²	53	49.7 Å²	49.7	23%	0.23	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	141.1	152.2	-69.4	-166.9	-172.9	146.6	0	109	Y43 T108 E109	K30-Y43 HydrophobicContact CG-CD1 4.15Å; K30-Y43 HydrophobicContact CG-CD2 4.49Å; K30-Y43 HydrophobicContact CG-CE1 4.18Å; K30-Y43 HydrophobicContact CG-CG 4.33Å; K30-T108 PolarHBondContact O-N 2.83Å; K30-T108 PolarHBondContact O-OG1 3.36Å; K30-E109 HydrophobicContact CB-CB 3.8Å; K30-E109 HydrophobicContact CD-CB 4.27Å; K30-E109 VanDerWaalsContact CD-OE2 3.27Å; K30-E109 WeakPolarHBondContact CD-OE2 3.31Å; K30-E109 VanDerWaalsContact CE-OE2 3.3Å; K30-E109 WeakPolarHBondContact CE-OE2 3.28Å; K30-E109 HydrophobicContact CG-CB 4.06Å; K30-E109 PolarHBondContact N-O 3.47Å; K30-E109 IonicContact NZ-OE2 2.73Å; K30-E109 PolarHBondContact NZ-OE2 2.94Å
31	V	98	Very high	96.5	Very high	5 Å²	5	56.3 Å²	56.3	3%	0.03	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	141.8	-176.3	-53	0	0	0	0	111.1	L29 D39 T40 V44 I65 L105 E106 F107	L29-V31 HydrophobicContact CB-CG1 4.16Å; V31-D39 CarbonylContact O-C 3.58Å; V31-D39 WeakPolarHBondContact O-CA 3.07Å; V31-T40 HydrophobicContact CG2-CG2 3.48Å; V31-T40 VanDerWaalsContact CG2-CG2 3.48Å; V31-T40 PolarHBondContact N-OG1 2.92Å; V31-T40 VanDerWaalsContact N-OG1 3.11Å; V31-T40 PolarHBondContact O-N 2.92Å; V31-V44 HydrophobicContact CG1-CG2 3.96Å; V31-V44 HydrophobicContact CG2-CG2 4.16Å; V31-I65 HydrophobicContact CG2-CD1 3.86Å; V31-L105 HydrophobicContact CG1-CD1 4.46Å; V31-E106 CarbonylContact C-O 3.56Å; V31-E106 WeakPolarHBondContact CA-O 3.31Å; V31-E106 WeakPolarHBondContact CB-O 3.41Å; V31-F107 HydrophobicContact CG1-CD1 3.91Å; V31-F107 HydrophobicContact CG1-CE1 4.29Å
32	K	98.2	Very high	96.6	Very high	67 Å²	67	58.9 Å²	58.9	29%	0.291	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	133.7	173.8	-177	169.3	-73.6	167.4	0	110.3	G34 G37 D39 L105 E106 T108	K32-G34 PolarHBondContact O-N 3.4Å; K32-G37 WeakPolarHBondContact CG-O 3.46Å; K32-D39 WeakPolarHBondContact CB-OD1 3.29Å; K32-D39 WeakPolarHBondContact CE-OD1 3.21Å; K32-D39 WeakPolarHBondContact CE-OD2 3.19Å; K32-D39 IonicContact NZ-OD2 3.77Å; K32-L105 CarbonylContact O-C 3.51Å; K32-L105 VanDerWaalsContact O-CA 3.22Å; K32-L105 WeakPolarHBondContact O-CA 3.23Å; K32-E106 HydrophobicContact CB-CB 4.44Å; K32-E106 PolarHBondContact N-O 3.28Å; K32-E106 PolarHBondContact O-N 2.85Å; K32-T108 HydrophobicContact CB-CG2 3.74Å; K32-T108 HydrophobicContact CD-CG2 4.47Å
33	C	98.4	Very high	96.8	Very high	10 Å²	10	59.4 Å²	59.4	7%	0.068	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	116.7	172.7	-178.4	0	0	0	0	110.1	N35 G37 E38 C67	C33-N35 PolarHBondContact O-N 3.24Å; C33-G37 VanDerWaalsContact O-CA 3.27Å; C33-G37 WeakPolarHBondContact O-CA 3.29Å; C33-G37 PolarHBondContact O-N 3.07Å; C33-E38 WeakPolarHBondContact CB-O 3.13Å; C33-E38 PolarHBondContact N-O 2.89Å; C33-C67 HydrophobicContact CB-CB 4.21Å
34	G	96.8	Very high	97.2	Very high	53 Å²	53	54.5 Å²	54.5	55%	0.546	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-2.2	179.3	0	0	0	0	0	114.9	K32 G104	K32-G34 PolarHBondContact O-N 3.4Å; G34-G104 PolarHBondContact N-O 3.46Å
35	N	97.3	Very high	97.5	Very high	83 Å²	83	53.9 Å²	53.9	44%	0.444	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-47.2	177.2	179.4	84.9	0	0	0	113.5	C33 C70 R72	C33-N35 PolarHBondContact O-N 3.24Å; N35-C70 PolarHBondContact ND2-SG 3.13Å; N35-R72 PolarHBondContact OD1-NH1 3.23Å
36	C	98.1	Very high	97.5	Very high	46 Å²	46	53.5 Å²	53.5	31%	0.311	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-3.3	-177.1	68.2	0	0	0	0	114	E38 C67 F69 C70	C36-E38 VanDerWaalsContact C-N 3.25Å; C36-E38 PolarHBondContact O-N 2.66Å; C36-E38 VanDerWaalsContact SG-CB 3.59Å; C36-C67 PolarHBondContact SG-SG 2.83Å; C36-F69 HydrophobicContact CB-CD1 3.98Å; C36-F69 HydrophobicContact CB-CE1 4.41Å; C36-C70 HydrophobicContact CB-CB 3.92Å
37	G	97.5	Very high	97.5	Very high	38 Å²	38	48.8 Å²	48.8	39%	0.392	26%	0.262	S	S	.	.			trans	76.9	3.6	179.7	0	0	0	0	0	115.4	K32 C33	K32-G37 WeakPolarHBondContact CG-O 3.46Å; C33-G37 VanDerWaalsContact O-CA 3.27Å; C33-G37 WeakPolarHBondContact O-CA 3.29Å; C33-G37 PolarHBondContact O-N 3.07Å
38	E	98	Very high	97.4	Very high	100 Å²	100	50.3 Å²	50.3	47%	0.467	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-71.4	127.4	-179.6	-172.7	65.9	-165.7	0	0	111	C33 C36 F69	C33-E38 WeakPolarHBondContact CB-O 3.13Å; C33-E38 PolarHBondContact N-O 2.89Å; C36-E38 VanDerWaalsContact C-N 3.25Å; C36-E38 PolarHBondContact O-N 2.66Å; C36-E38 VanDerWaalsContact SG-CB 3.59Å; E38-F69 HydrophobicContact CB-CB 4.25Å; E38-F69 HydrophobicContact CG-CB 4.09Å
39	D	97.7	Very high	97.3	Very high	62 Å²	62	53.6 Å²	53.6	33%	0.332	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-82.9	150.6	173.8	-75.7	-74.8	0	0	0	111.9	V31 K32 T108	V31-D39 CarbonylContact O-C 3.58Å; V31-D39 WeakPolarHBondContact O-CA 3.07Å; K32-D39 WeakPolarHBondContact CB-OD1 3.29Å; K32-D39 WeakPolarHBondContact CE-OD1 3.21Å; K32-D39 WeakPolarHBondContact CE-OD2 3.19Å; K32-D39 IonicContact NZ-OD2 3.77Å; D39-T108 VanDerWaalsContact OD1-CG2 3.25Å; D39-T108 WeakPolarHBondContact OD1-CG2 3.2Å; D39-T108 PolarHBondContact OD1-OG1 3.08Å
40	T	97.5	Very high	97.3	Very high	29 Å²	29	56.6 Å²	56.6	18%	0.178	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-68.3	136	169	52.8	0	0	0	0	111	V31 D42 V44 I65	V31-T40 HydrophobicContact CG2-CG2 3.48Å; V31-T40 VanDerWaalsContact CG2-CG2 3.48Å; V31-T40 PolarHBondContact N-OG1 2.92Å; V31-T40 VanDerWaalsContact N-OG1 3.11Å; V31-T40 PolarHBondContact O-N 2.92Å; T40-D42 WeakPolarHBondContact CB-O 3.11Å; T40-D42 PolarHBondContact OG1-O 2.8Å; T40-D42 VanDerWaalsContact OG1-O 3.13Å; T40-V44 HydrophobicContact CG2-CG1 4.41Å; T40-I65 HydrophobicContact CG2-CD1 3.58Å
41	H	95.3	Very high	97.2	Very high	160 Å²	160	61 Å²	61	74%	0.741	33%	0.331	S	S	*	.	S	Bend	trans	-63.9	-52.9	175.3	-175.9	66.7	0	0	0	111.5
42	D	96.5	Very high	97.2	Very high	100 Å²	100	63.5 Å²	63.5	54%	0.535	35%	0.346	S	S	.	.	S	Bend	trans	-97.4	161.5	177.8	-55.6	-62.7	0	0	0	110.9	T40	T40-D42 WeakPolarHBondContact CB-O 3.11Å; T40-D42 PolarHBondContact OG1-O 2.8Å; T40-D42 VanDerWaalsContact OG1-O 3.13Å
43	Y	97.4	Very high	97.1	Very high	63 Å²	63	65.3 Å²	65.3	25%	0.247	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-64	133.6	166	-78	-89.9	0	0	0	110.5	K30 E109 R113	K30-Y43 HydrophobicContact CG-CD1 4.15Å; K30-Y43 HydrophobicContact CG-CD2 4.49Å; K30-Y43 HydrophobicContact CG-CE1 4.18Å; K30-Y43 HydrophobicContact CG-CG 4.33Å; Y43-E109 HydrophobicContact CE1-CB 4.43Å; Y43-E109 HydrophobicContact CE1-CG 4.42Å; Y43-E109 WeakPolarHBondContact OH-CG 3.17Å; Y43-E109 PolarHBondContact OH-OE1 2.98Å; Y43-R113 VanDerWaalsContact CB-NH2 3.3Å
44	V	97.6	Very high	97	Very high	31 Å²	31	66.1 Å²	66.1	19%	0.188	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	169	163.4	-62.6	0	0	0	0	109.1	Y28 L29 V31 T40 L63 I65	Y28-V44 CarbonylContact C-O 3.47Å; Y28-V44 VanDerWaalsContact CA-O 3.26Å; Y28-V44 WeakPolarHBondContact CA-O 3.4Å; L29-V44 PolarHBondContact N-O 2.93Å; L29-V44 WeakPolarHBondContact O-CG2 3.16Å; L29-V44 PolarHBondContact O-N 2.96Å; V31-V44 HydrophobicContact CG1-CG2 3.96Å; V31-V44 HydrophobicContact CG2-CG2 4.16Å; T40-V44 HydrophobicContact CG2-CG1 4.41Å; V44-L63 HydrophobicContact CG2-CD2 4.15Å; V44-I65 HydrophobicContact CG1-CD1 3.88Å
45	Y	97.8	Very high	96.6	Very high	75 Å²	75	68.5 Å²	68.5	29%	0.294	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	155.4	173.1	60.3	-93.4	0	0	0	111.7	R26 W27 Y28 D47	R26-Y45 HydrophobicContact CB-CD2 4.45Å; R26-Y45 HydrophobicContact CB-CG 4.33Å; R26-Y45 HydrophobicContact CG-CD2 3.95Å; R26-Y45 HydrophobicContact CG-CE2 4.49Å; R26-Y45 HydrophobicContact CG-CG 4.2Å; W27-Y45 VanDerWaalsContact O-CA 3.29Å; W27-Y45 WeakPolarHBondContact O-CA 3.27Å; Y28-Y45 HydrophobicContact CD1-CD1 4.43Å; Y28-Y45 AromaticContact CE1-CD1 3.92Å; Y28-Y45 HydrophobicContact CE1-CD1 3.92Å; Y28-Y45 HydrophobicContact CE1-CG 4.25Å; Y45-D47 HydrophobicContact CD2-CB 4.35Å
46	I	97.8	Very high	96.1	Very high	0 Å²	0	72 Å²	72	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	130.1	166.7	-50.6	176.3	0	0	0	106.6	W27 L29 N62 L63 A76 I78 F100 F107	W27-I46 HydrophobicContact CB-CB 4.41Å; W27-I46 PolarHBondContact N-O 3Å; W27-I46 PolarHBondContact O-N 3Å; W27-I46 VanDerWaalsContact O-N 3.13Å; L29-I46 HydrophobicContact CD1-CD1 3.66Å; L29-I46 HydrophobicContact CD1-CG1 4.15Å; I46-N62 HydrophobicContact CG2-CB 3.59Å; I46-L63 HydrophobicContact CD1-CD2 4.21Å; I46-L63 HydrophobicContact CG1-CB 3.89Å; I46-L63 HydrophobicContact CG1-CD2 3.73Å; I46-L63 HydrophobicContact CG1-CG 4.42Å; I46-L63 HydrophobicContact CG2-CB 4.4Å; I46-A76 HydrophobicContact CD1-CB 3.7Å; I46-I78 HydrophobicContact CG2-CD1 4.12Å; I46-I78 HydrophobicContact CG2-CG1 3.66Å; I46-F100 HydrophobicContact CB-CE1 4.12Å; I46-F100 HydrophobicContact CD1-CD1 3.56Å; I46-F100 HydrophobicContact CD1-CE1 3.79Å; I46-F100 HydrophobicContact CD1-CG 4.39Å; I46-F100 HydrophobicContact CG2-CD1 4.24Å; I46-F100 HydrophobicContact CG2-CE1 4.14Å; I46-F107 HydrophobicContact CD1-CE1 4.14Å; I46-F107 HydrophobicContact CD1-CZ 3.93Å
47	D	96.6	Very high	95.7	Very high	8 Å²	8	73.1 Å²	73.1	4%	0.043	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	132.1	178.1	179.4	-35.8	0	0	0	108.5	Y45 L49 E50 N62	Y45-D47 HydrophobicContact CD2-CB 4.35Å; D47-L49 VanDerWaalsContact C-N 3.28Å; D47-L49 PolarHBondContact O-N 2.96Å; D47-L49 WeakPolarHBondContact OD1-CB 3.48Å; D47-L49 PolarHBondContact OD1-N 2.81Å; D47-E50 HydrophobicContact CB-CB 4.16Å; D47-E50 HydrophobicContact CB-CG 3.91Å; D47-E50 PolarHBondContact O-N 2.88Å; D47-N62 VanDerWaalsContact O-CB 3.26Å; D47-N62 WeakPolarHBondContact O-CB 3.45Å; D47-N62 PolarHBondContact O-ND2 3.41Å; D47-N62 VanDerWaalsContact O-ND2 3.13Å
48	G	95.5	Very high	95.2	Very high	32 Å²	32	83.7 Å²	83.7	33%	0.33	42%	0.42	S	S	.	.	S	Bend	trans	-68.3	-23.5	-175.3	0	0	0	0	0	114.5	N62	G48-N62 PolarHBondContact O-ND2 2.8Å; G48-N62 VanDerWaalsContact O-ND2 3.13Å
49	L	96.1	Very high	94.9	Very high	109 Å²	109	80.6 Å²	80.6	57%	0.571	42%	0.415	S	S	*	.	S	Bend	trans	-87.7	-25.9	178.3	-61.1	-172.4	0	0	0	112.8	D23 D24 D47	D23-L49 HydrophobicContact CB-CD1 4.15Å; D23-L49 HydrophobicContact CB-CD2 3.97Å; D23-L49 HydrophobicContact CB-CG 4.13Å; D24-L49 HydrophobicContact CB-CD1 3.88Å; D24-L49 HydrophobicContact CB-CG 4.5Å; D47-L49 VanDerWaalsContact C-N 3.28Å; D47-L49 PolarHBondContact O-N 2.96Å; D47-L49 WeakPolarHBondContact OD1-CB 3.48Å; D47-L49 PolarHBondContact OD1-N 2.81Å
50	E	96.6	Very high	94.9	Very high	65 Å²	65	81.3 Å²	81.3	30%	0.304	42%	0.418	S	S	.	.			trans	-67.6	139	180	-75.3	-167.5	177	0	0	111.6	D47 N62	D47-E50 HydrophobicContact CB-CB 4.16Å; D47-E50 HydrophobicContact CB-CG 3.91Å; D47-E50 PolarHBondContact O-N 2.88Å; E50-N62 WeakPolarHBondContact O-CA 3.17Å; E50-N62 PolarHBondContact O-ND2 3.42Å
51	K	96.4	Very high	94.9	Very high	146 Å²	146	79.9 Å²	79.9	64%	0.635	41%	0.41	S	S	*	.			trans	-133.9	100.8	176	-67	-165.4	175.3	-156.6	0	109.9	D60	K51-D60 HydrophobicContact CB-CB 4.08Å
52	T	97.5	Very high	95	Very high	56 Å²	56	73 Å²	73	34%	0.344	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	123.8	179.6	-61	0	0	0	0	110.1	I54 D60 A61 V64	T52-I54 PolarHBondContact O-N 2.84Å; T52-D60 CarbonylContact O-C 3.57Å; T52-D60 VanDerWaalsContact O-CA 3.29Å; T52-D60 WeakPolarHBondContact O-CA 3.46Å; T52-A61 PolarHBondContact N-O 3.01Å; T52-A61 PolarHBondContact O-N 3.48Å; T52-V64 HydrophobicContact CG2-CB 3.84Å; T52-V64 HydrophobicContact CG2-CG2 3.83Å; T52-V64 WeakPolarHBondContact O-CG2 3.22Å
53	P	96.8	Very high	95.1	Very high	105 Å²	105	69.2 Å²	69.2	68%	0.682	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.6	133	176	-25	33.9	0	0	0	112.1
54	I	95.4	Very high	95.1	Very high	27 Å²	27	68 Å²	68	14%	0.138	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-85.5	125.6	175.8	-57.8	163.7	0	0	0	108.4	T52 D56 S57 G59 A61 V64 N75	T52-I54 PolarHBondContact O-N 2.84Å; I54-D56 PolarHBondContact O-N 2.89Å; I54-S57 PolarHBondContact O-N 2.79Å; I54-S57 VanDerWaalsContact O-N 3.13Å; I54-G59 PolarHBondContact N-O 3.42Å; I54-A61 HydrophobicContact CD1-CB 3.96Å; I54-A61 HydrophobicContact CG1-CB 4.1Å; I54-V64 HydrophobicContact CG1-CG2 3.8Å; I54-N75 HydrophobicContact CD1-CB 4.37Å; I54-N75 HydrophobicContact CG1-CB 4.46Å
55	Q	88.8	Confident	95	Very high	104 Å²	104	68 Å²	68	49%	0.486	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	135.1	178.1	-167.4	-172.1	-8.2	0	0	111.2	S57	Q55-S57 PolarHBondContact O-N 2.95Å
56	D	87.4	Confident	95	Very high	157 Å²	157	70.4 Å²	70.4	84%	0.84	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	20	179.3	-50.7	-44.1	0	0	0	114.4	I54	I54-D56 PolarHBondContact O-N 2.89Å
57	S	89.9	Confident	95	Very high	69 Å²	69	71 Å²	71	48%	0.483	37%	0.369	S	S	.	.	S	Bend	trans	-124.4	161.2	174.5	-179.3	0	0	0	0	110.7	I54 Q55 G59	I54-S57 PolarHBondContact O-N 2.79Å; I54-S57 VanDerWaalsContact O-N 3.13Å; Q55-S57 PolarHBondContact O-N 2.95Å; S57-G59 PolarHBondContact OG-N 3.49Å
58	R	86.3	Confident	94.9	Very high	260 Å²	260	78.7 Å²	78.7	98%	0.981	40%	0.401	S	S	*	.	S	Bend	trans	-88.2	-5.5	173.5	-69.4	-174.4	-71.5	179	-2.6	113.4
59	G	92.7	Very high	95	Very high	35 Å²	35	84.2 Å²	84.2	36%	0.361	42%	0.417	S	S	.	.			trans	-103.2	165.8	-176.6	0	0	0	0	0	113.8	I54 S57	I54-G59 PolarHBondContact N-O 3.42Å; S57-G59 PolarHBondContact OG-N 3.49Å
60	D	97	Very high	95.1	Very high	76 Å²	76	81 Å²	81	41%	0.406	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	169.3	165.2	49.7	49.4	0	0	0	110.4	K51 T52	K51-D60 HydrophobicContact CB-CB 4.08Å; T52-D60 CarbonylContact O-C 3.57Å; T52-D60 VanDerWaalsContact O-CA 3.29Å; T52-D60 WeakPolarHBondContact O-CA 3.46Å
61	A	97.7	Very high	95.1	Very high	0 Å²	0	84 Å²	84	0%	0	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	158.9	168.2	0	0	0	0	0	111.8	T52 I54 L63 V64 N75 D77	T52-A61 PolarHBondContact N-O 3.01Å; T52-A61 PolarHBondContact O-N 3.48Å; I54-A61 HydrophobicContact CD1-CB 3.96Å; I54-A61 HydrophobicContact CG1-CB 4.1Å; A61-L63 VanDerWaalsContact C-N 3.29Å; A61-L63 PolarHBondContact O-N 3.31Å; A61-V64 HydrophobicContact CB-CG2 4.11Å; A61-N75 HydrophobicContact CB-CB 3.87Å; A61-D77 WeakPolarHBondContact CA-OD1 3.34Å; A61-D77 WeakPolarHBondContact CB-OD1 3.38Å
62	N	97.7	Very high	95.1	Very high	15 Å²	15	83.8 Å²	83.8	8%	0.08	41%	0.41	C	S	.	.	S	Bend	trans	-63.4	-33.2	174.9	-64.9	136.9	0	0	0	113.2	I46 D47 G48 E50 A76 D77 I78	I46-N62 HydrophobicContact CG2-CB 3.59Å; D47-N62 VanDerWaalsContact O-CB 3.26Å; D47-N62 WeakPolarHBondContact O-CB 3.45Å; D47-N62 PolarHBondContact O-ND2 3.41Å; D47-N62 VanDerWaalsContact O-ND2 3.13Å; G48-N62 PolarHBondContact O-ND2 2.8Å; G48-N62 VanDerWaalsContact O-ND2 3.13Å; E50-N62 WeakPolarHBondContact O-CA 3.17Å; E50-N62 PolarHBondContact O-ND2 3.42Å; N62-A76 PolarHBondContact N-O 2.78Å; N62-D77 PolarHBondContact N-OD1 3.13Å; N62-I78 PolarHBondContact OD1-N 2.89Å
63	L	97.7	Very high	95	Very high	20 Å²	20	83.1 Å²	83.1	11%	0.105	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	130.1	171.7	169.8	66.2	0	0	0	109.8	V44 I46 A61 I65 N75 A76 L105	V44-L63 HydrophobicContact CG2-CD2 4.15Å; I46-L63 HydrophobicContact CD1-CD2 4.21Å; I46-L63 HydrophobicContact CG1-CB 3.89Å; I46-L63 HydrophobicContact CG1-CD2 3.73Å; I46-L63 HydrophobicContact CG1-CG 4.42Å; I46-L63 HydrophobicContact CG2-CB 4.4Å; A61-L63 VanDerWaalsContact C-N 3.29Å; A61-L63 PolarHBondContact O-N 3.31Å; L63-I65 HydrophobicContact CD1-CB 4.42Å; L63-N75 CarbonylContact O-C 3.43Å; L63-N75 WeakPolarHBondContact O-CA 3.23Å; L63-N75 WeakPolarHBondContact O-CB 3.26Å; L63-A76 HydrophobicContact CB-CB 4.45Å; L63-A76 PolarHBondContact N-O 3.11Å; L63-A76 PolarHBondContact O-N 3.03Å; L63-L105 HydrophobicContact CD2-CD2 4.49Å
64	V	97.6	Very high	95	Very high	38 Å²	38	78.3 Å²	78.3	23%	0.23	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	120.7	166.5	-178.9	0	0	0	0	108.7	T52 I54 A61 V73 N75	T52-V64 HydrophobicContact CG2-CB 3.84Å; T52-V64 HydrophobicContact CG2-CG2 3.83Å; T52-V64 WeakPolarHBondContact O-CG2 3.22Å; I54-V64 HydrophobicContact CG1-CG2 3.8Å; A61-V64 HydrophobicContact CB-CG2 4.11Å; V64-V73 HydrophobicContact CG1-CG1 3.68Å; V64-N75 HydrophobicContact CG2-CB 4.35Å
65	I	96.9	Very high	95.1	Very high	31 Å²	31	77.7 Å²	77.7	16%	0.159	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	136.8	-176.6	-166.9	175.1	0	0	0	111.3	V31 T40 V44 L63 V73 S74 L105	V31-I65 HydrophobicContact CG2-CD1 3.86Å; T40-I65 HydrophobicContact CG2-CD1 3.58Å; V44-I65 HydrophobicContact CG1-CD1 3.88Å; L63-I65 HydrophobicContact CD1-CB 4.42Å; I65-V73 WeakPolarHBondContact O-CA 3.36Å; I65-S74 PolarHBondContact N-O 2.97Å; I65-S74 PolarHBondContact O-N 3.42Å; I65-L105 HydrophobicContact CG2-CD2 3.92Å
66	R	96.5	Very high	95.5	Very high	125 Å²	125	72.8 Å²	72.8	47%	0.472	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	123.7	171.9	-172	-176.2	-63.9	-85.7	3.2	110.1	K68 K71 V73	R66-K68 PolarHBondContact O-N 3.13Å; R66-K71 VanDerWaalsContact CG-O 3.3Å; R66-K71 WeakPolarHBondContact CG-O 3.03Å; R66-K71 PolarHBondContact NH1-O 3.13Å; R66-V73 HydrophobicContact CB-CG2 4.5Å; R66-V73 HydrophobicContact CG-CG2 4.34Å
67	C	97.4	Very high	96	Very high	14 Å²	14	67 Å²	67	10%	0.095	32%	0.318	C	S	.	.			trans	-58.5	123.7	173.7	178.4	0	0	0	0	110.5	C33 C36 F69 C70 K71 R72	C33-C67 HydrophobicContact CB-CB 4.21Å; C36-C67 PolarHBondContact SG-SG 2.83Å; C67-F69 PolarHBondContact O-N 2.83Å; C67-F69 PolarHBondContact SG-N 3.43Å; C67-C70 PolarHBondContact SG-N 3.08Å; C67-C70 VanDerWaalsContact SG-N 3.42Å; C67-K71 WeakPolarHBondContact O-CA 3.44Å; C67-K71 PolarHBondContact O-N 3.43Å; C67-R72 PolarHBondContact N-O 3.39Å
68	K	96.1	Very high	96.4	Very high	168 Å²	168	64.6 Å²	64.6	73%	0.73	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-28.3	179.9	-70.3	-179.2	-178.8	175.9	0	112.4	R66 K71	R66-K68 PolarHBondContact O-N 3.13Å; K68-K71 PolarHBondContact O-NZ 2.97Å
69	F	97	Very high	96.9	Very high	149 Å²	149	54.3 Å²	54.3	65%	0.654	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-73.1	178.6	-174.2	-108.2	0	0	0	112.4	C36 E38 C67 K71	C36-F69 HydrophobicContact CB-CD1 3.98Å; C36-F69 HydrophobicContact CB-CE1 4.41Å; E38-F69 HydrophobicContact CB-CB 4.25Å; E38-F69 HydrophobicContact CG-CB 4.09Å; C67-F69 PolarHBondContact O-N 2.83Å; C67-F69 PolarHBondContact SG-N 3.43Å; F69-K71 PolarHBondContact O-N 2.85Å
70	C	97.8	Very high	97	Very high	41 Å²	41	58.5 Å²	58.5	28%	0.277	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	0.3	-173.4	73.3	0	0	0	0	115.3	N35 C36 C67 R72	N35-C70 PolarHBondContact ND2-SG 3.13Å; C36-C70 HydrophobicContact CB-CB 3.92Å; C67-C70 PolarHBondContact SG-N 3.08Å; C67-C70 VanDerWaalsContact SG-N 3.42Å; C70-R72 PolarHBondContact O-N 2.93Å
71	K	96.6	Very high	96.9	Very high	128 Å²	128	58.7 Å²	58.7	56%	0.557	30%	0.304	S	S	*	.			trans	62.2	1	179	-49	-53.6	-176.6	-170.9	0	116.4	R66 C67 K68 F69	R66-K71 VanDerWaalsContact CG-O 3.3Å; R66-K71 WeakPolarHBondContact CG-O 3.03Å; R66-K71 PolarHBondContact NH1-O 3.13Å; C67-K71 WeakPolarHBondContact O-CA 3.44Å; C67-K71 PolarHBondContact O-N 3.43Å; K68-K71 PolarHBondContact O-NZ 2.97Å; F69-K71 PolarHBondContact O-N 2.85Å
72	R	96	Very high	96.9	Very high	141 Å²	141	59.2 Å²	59.2	53%	0.532	31%	0.308	S	S	.	.			trans	-63.3	139.4	175.2	-161.8	168.8	-178.9	153.9	0.9	110.4	N35 C67 C70	N35-R72 PolarHBondContact OD1-NH1 3.23Å; C67-R72 PolarHBondContact N-O 3.39Å; C70-R72 PolarHBondContact O-N 2.93Å
73	V	96	Very high	96.9	Very high	43 Å²	43	62 Å²	62	26%	0.261	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	133.3	176.8	-178.8	0	0	0	0	108.8	V64 I65 R66	V64-V73 HydrophobicContact CG1-CG1 3.68Å; I65-V73 WeakPolarHBondContact O-CA 3.36Å; R66-V73 HydrophobicContact CB-CG2 4.5Å; R66-V73 HydrophobicContact CG-CG2 4.34Å
74	S	96.5	Very high	96.9	Very high	4 Å²	4	65.1 Å²	65.1	3%	0.028	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	158.3	177	-58.5	0	0	0	0	108.9	I65 R103 G104	I65-S74 PolarHBondContact N-O 2.97Å; I65-S74 PolarHBondContact O-N 3.42Å; S74-R103 VanDerWaalsContact CA-O 3.27Å; S74-R103 WeakPolarHBondContact CA-O 3.28Å; S74-R103 WeakPolarHBondContact CB-O 3.16Å; S74-G104 PolarHBondContact OG-O 2.94Å
75	N	97.6	Very high	96.9	Very high	14 Å²	14	65.8 Å²	65.8	8%	0.075	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	160.8	178.7	55	73.3	0	0	0	112.2	I54 A61 L63 V64 R103	I54-N75 HydrophobicContact CD1-CB 4.37Å; I54-N75 HydrophobicContact CG1-CB 4.46Å; A61-N75 HydrophobicContact CB-CB 3.87Å; L63-N75 CarbonylContact O-C 3.43Å; L63-N75 WeakPolarHBondContact O-CA 3.23Å; L63-N75 WeakPolarHBondContact O-CB 3.26Å; V64-N75 HydrophobicContact CG2-CB 4.35Å; N75-R103 PolarHBondContact N-O 2.91Å; N75-R103 PolarHBondContact O-N 3.19Å; N75-R103 WeakPolarHBondContact OD1-CB 3.46Å; N75-R103 WeakPolarHBondContact OD1-CD 3.38Å
76	A	98	Very high	96.9	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	143.5	173.2	0	0	0	0	0	111.2	I46 N62 L63 D101 L105	I46-A76 HydrophobicContact CD1-CB 3.7Å; N62-A76 PolarHBondContact N-O 2.78Å; L63-A76 HydrophobicContact CB-CB 4.45Å; L63-A76 PolarHBondContact N-O 3.11Å; L63-A76 PolarHBondContact O-N 3.03Å; A76-D101 VanDerWaalsContact CA-O 3.29Å; A76-D101 WeakPolarHBondContact CA-O 3.37Å; A76-L105 HydrophobicContact CB-CD1 4.38Å; A76-L105 HydrophobicContact CB-CD2 4.28Å
77	D	97.8	Very high	97	Very high	36 Å²	36	59.4 Å²	59.4	19%	0.193	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	141.5	175.7	-71.7	-62.8	0	0	0	110.4	A61 N62 F100 D101 R103	A61-D77 WeakPolarHBondContact CA-OD1 3.34Å; A61-D77 WeakPolarHBondContact CB-OD1 3.38Å; N62-D77 PolarHBondContact N-OD1 3.13Å; D77-F100 CarbonylContact O-C 3.54Å; D77-F100 WeakPolarHBondContact O-CA 3.36Å; D77-D101 HydrophobicContact CB-CB 4.48Å; D77-D101 PolarHBondContact N-O 3.32Å; D77-D101 PolarHBondContact O-N 2.92Å; D77-R103 IonicContact OD2-NH1 3.85Å
78	I	97.4	Very high	97	Very high	18 Å²	18	61.8 Å²	61.8	9%	0.092	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	129.9	168.6	-52.7	-169.5	0	0	0	107.8	I46 N62 P80 I83 F100	I46-I78 HydrophobicContact CG2-CD1 4.12Å; I46-I78 HydrophobicContact CG2-CG1 3.66Å; N62-I78 PolarHBondContact OD1-N 2.89Å; I78-P80 VanDerWaalsContact O-CD 3.3Å; I78-P80 WeakPolarHBondContact O-CD 3.18Å; I78-I83 HydrophobicContact CG2-CD1 4.25Å; I78-I83 HydrophobicContact CG2-CG1 4.3Å; I78-F100 HydrophobicContact CD1-CE1 4.19Å; I78-F100 HydrophobicContact CG1-CD1 3.94Å; I78-F100 HydrophobicContact CG1-CE1 3.72Å
79	I	97.2	Very high	97	Very high	45 Å²	45	60.9 Å²	60.9	23%	0.231	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-73.1	121.9	176.2	-59.4	176.1	0	0	0	108.4	L3 G81 S82 K99 D101	L3-I79 HydrophobicContact CD1-CD1 4.37Å; L3-I79 HydrophobicContact CD2-CD1 3.59Å; L3-I79 HydrophobicContact CG-CD1 4.44Å; I79-G81 PolarHBondContact O-N 3.4Å; I79-S82 WeakPolarHBondContact O-CB 3.35Å; I79-S82 PolarHBondContact O-N 2.95Å; I79-S82 VanDerWaalsContact O-N 3.07Å; I79-S82 PolarHBondContact O-OG 2.96Å; I79-K99 HydrophobicContact CB-CB 4.34Å; I79-K99 HydrophobicContact CD1-CB 3.59Å; I79-K99 HydrophobicContact CG1-CB 4.24Å; I79-K99 PolarHBondContact N-O 3.25Å; I79-D101 HydrophobicContact CG1-CB 4.42Å
80	P	95.1	Very high	97.1	Very high	123 Å²	123	55.5 Å²	55.5	80%	0.799	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	136.3	178.6	-26.5	35.9	0	0	0	112.2	I78 S82	I78-P80 VanDerWaalsContact O-CD 3.3Å; I78-P80 WeakPolarHBondContact O-CD 3.18Å; P80-S82 PolarHBondContact O-N 3.37Å
81	G	95.5	Very high	97	Very high	79 Å²	79	54.7 Å²	54.7	81%	0.814	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	8	-178.6	0	0	0	0	0	115	I79	I79-G81 PolarHBondContact O-N 3.4Å
82	S	97	Very high	97	Very high	12 Å²	12	50 Å²	50	8%	0.084	30%	0.296	C	S	.	.			trans	-88.4	-12	177.4	74.7	0	0	0	0	114.4	I79 P80 L84 K99	I79-S82 WeakPolarHBondContact O-CB 3.35Å; I79-S82 PolarHBondContact O-N 2.95Å; I79-S82 VanDerWaalsContact O-N 3.07Å; I79-S82 PolarHBondContact O-OG 2.96Å; P80-S82 PolarHBondContact O-N 3.37Å; S82-L84 PolarHBondContact O-N 2.8Å; S82-K99 PolarHBondContact OG-N 3.37Å; S82-K99 VanDerWaalsContact OG-N 3.08Å; S82-K99 PolarHBondContact OG-O 2.93Å; S82-K99 VanDerWaalsContact OG-O 3.13Å
83	I	97.4	Very high	97.1	Very high	74 Å²	74	49.4 Å²	49.4	38%	0.379	30%	0.299	S	S	.	.			trans	-74.1	118.9	175.6	-59.6	176.4	0	0	0	107.9	P20 W27 I78 I97 A98	P20-I83 HydrophobicContact CG-CG2 4.02Å; W27-I83 HydrophobicContact CZ2-CD1 4.33Å; W27-I83 HydrophobicContact CZ2-CG1 4.3Å; W27-I83 HydrophobicContact CZ2-CG2 4.46Å; I78-I83 HydrophobicContact CG2-CD1 4.25Å; I78-I83 HydrophobicContact CG2-CG1 4.3Å; I83-I97 CarbonylContact C-O 3.58Å; I83-I97 VanDerWaalsContact CA-O 3.23Å; I83-I97 WeakPolarHBondContact CA-O 3.45Å; I83-A98 HydrophobicContact CG1-CB 4.35Å
84	L	97.1	Very high	97.2	Very high	85 Å²	85	54.5 Å²	54.5	45%	0.445	32%	0.318	S	S	.	.			trans	-126.8	139.7	-177.1	-63.7	175.8	0	0	0	110	S82 I97	S82-L84 PolarHBondContact O-N 2.8Å; L84-I97 PolarHBondContact N-O 3.45Å
85	P	97.6	Very high	97.3	Very high	51 Å²	51	56.5 Å²	56.5	33%	0.331	33%	0.326	S	S	.	.			trans	-68.7	149.9	176.8	29.5	-35	0	0	0	111.2	N17 L18 K95	N17-P85 HydrophobicContact CB-CB 4.38Å; L18-P85 WeakPolarHBondContact O-CA 3.41Å; P85-K95 VanDerWaalsContact O-CE 3.3Å; P85-K95 WeakPolarHBondContact O-CE 3.25Å; P85-K95 PolarHBondContact O-NZ 2.97Å
86	Y	98.3	Very high	97.3	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-94.5	110	168.3	-168.7	-81.3	0	0	0	108.9	I8 C10 L12 N17 L18 D90 G92 H93 K95 I97	I8-Y86 HydrophobicContact CD1-CD2 3.82Å; I8-Y86 HydrophobicContact CD1-CE2 4.49Å; I8-Y86 HydrophobicContact CD1-CG 3.94Å; I8-Y86 HydrophobicContact CG1-CD2 3.62Å; I8-Y86 HydrophobicContact CG1-CE2 4.05Å; I8-Y86 HydrophobicContact CG1-CG 4.28Å; I8-Y86 WeakPolarHBondContact O-CE2 3.49Å; C10-Y86 PolarHBondContact N-OH 3.35Å; C10-Y86 PolarHBondContact O-OH 2.73Å; C10-Y86 VanDerWaalsContact SG-CD1 3.57Å; C10-Y86 WeakPolarHBondContact SG-CE1 3.43Å; L12-Y86 HydrophobicContact CD1-CD1 3.85Å; L12-Y86 HydrophobicContact CD1-CE1 4.17Å; L12-Y86 HydrophobicContact CG-CD1 4.27Å; L12-Y86 HydrophobicContact CG-CE1 4.21Å; N17-Y86 PolarHBondContact N-O 3.13Å; L18-Y86 PolarHBondContact N-O 3.38Å; L18-Y86 PolarHBondContact O-N 2.65Å; Y86-D90 HydrophobicContact CD1-CB 4.2Å; Y86-D90 HydrophobicContact CD2-CB 4.07Å; Y86-D90 HydrophobicContact CE1-CB 4.04Å; Y86-D90 HydrophobicContact CE2-CB 3.9Å; Y86-D90 HydrophobicContact CG-CB 4.24Å; Y86-D90 PolarHBondContact OH-O 2.64Å; Y86-G92 PolarHBondContact OH-N 2.82Å; Y86-H93 WeakPolarHBondContact CE2-O 3.39Å; Y86-H93 PolarHBondContact OH-O 2.98Å; Y86-H93 VanDerWaalsContact OH-O 3.06Å; Y86-K95 HydrophobicContact CD2-CB 3.84Å; Y86-K95 HydrophobicContact CD2-CD 4.17Å; Y86-K95 HydrophobicContact CD2-CG 4.44Å; Y86-K95 HydrophobicContact CE2-CB 3.89Å; Y86-I97 HydrophobicContact CD2-CG2 4.34Å
87	S	97.8	Very high	97.3	Very high	22 Å²	22	57.8 Å²	57.8	15%	0.154	33%	0.334	C	S	.	.			trans	-95.6	169.3	-172.7	71.8	0	0	0	0	111.8	D89 D90	S87-D89 PolarHBondContact O-N 3.2Å; S87-D90 WeakPolarHBondContact CA-OD2 3.48Å; S87-D90 WeakPolarHBondContact CB-OD2 3.3Å; S87-D90 PolarHBondContact N-OD2 3Å; S87-D90 WeakPolarHBondContact O-CB 3.29Å; S87-D90 PolarHBondContact O-N 3.46Å; S87-D90 PolarHBondContact OG-OD2 2.89Å
88	L	96.9	Very high	97.3	Very high	65 Å²	65	56.1 Å²	56.1	34%	0.34	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-57.1	-35.8	175.8	-174.5	66.4	0	0	0	112.6	L12 T16 D90 S91 V121	L12-L88 HydrophobicContact CB-CD1 4.01Å; T16-L88 PolarHBondContact OG1-N 3.05Å; T16-L88 VanDerWaalsContact OG1-N 3.14Å; L88-D90 PolarHBondContact O-N 2.82Å; L88-S91 WeakPolarHBondContact O-CB 3.47Å; L88-S91 PolarHBondContact O-N 3.13Å; L88-S91 VanDerWaalsContact O-N 3.08Å; L88-V121 HydrophobicContact CD2-CG1 4.23Å; L88-V121 HydrophobicContact CD2-CG2 4Å
89	D	97.1	Very high	97.3	Very high	149 Å²	149	60.1 Å²	60.1	80%	0.797	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-67.2	-18.5	178	-66.1	-22.8	0	0	0	112.7	S87	S87-D89 PolarHBondContact O-N 3.2Å
90	D	97.8	Very high	97.4	Very high	35 Å²	35	58 Å²	58	19%	0.187	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-89.1	-8.4	176.5	-50.9	-65.7	0	0	0	112.3	Y86 S87 L88 G92 H93 K95	Y86-D90 HydrophobicContact CD1-CB 4.2Å; Y86-D90 HydrophobicContact CD2-CB 4.07Å; Y86-D90 HydrophobicContact CE1-CB 4.04Å; Y86-D90 HydrophobicContact CE2-CB 3.9Å; Y86-D90 HydrophobicContact CG-CB 4.24Å; Y86-D90 PolarHBondContact OH-O 2.64Å; S87-D90 WeakPolarHBondContact CA-OD2 3.48Å; S87-D90 WeakPolarHBondContact CB-OD2 3.3Å; S87-D90 PolarHBondContact N-OD2 3Å; S87-D90 WeakPolarHBondContact O-CB 3.29Å; S87-D90 PolarHBondContact O-N 3.46Å; S87-D90 PolarHBondContact OG-OD2 2.89Å; L88-D90 PolarHBondContact O-N 2.82Å; D90-G92 PolarHBondContact O-N 2.78Å; D90-H93 WeakPolarHBondContact O-CB 3.4Å; D90-H93 PolarHBondContact O-N 3.24Å; D90-K95 HydrophobicContact CB-CD 3.92Å; D90-K95 VanDerWaalsContact CG-NZ 3.32Å; D90-K95 WeakPolarHBondContact OD1-CD 3.26Å; D90-K95 IonicContact OD1-NZ 3.35Å; D90-K95 PolarHBondContact OD1-NZ 3.46Å; D90-K95 WeakPolarHBondContact OD2-CD 3.33Å; D90-K95 IonicContact OD2-NZ 2.65Å; D90-K95 PolarHBondContact OD2-NZ 2.73Å
91	S	96.9	Very high	97.5	Very high	25 Å²	25	53.4 Å²	53.4	18%	0.175	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	132.7	-175.6	-165	0	0	0	0	112.1	E11 L12 L88 H93	E11-S91 WeakPolarHBondContact CA-OG 3.32Å; E11-S91 PolarHBondContact OE2-OG 2.86Å; L12-S91 PolarHBondContact N-OG 3.36Å; L88-S91 WeakPolarHBondContact O-CB 3.47Å; L88-S91 PolarHBondContact O-N 3.13Å; L88-S91 VanDerWaalsContact O-N 3.08Å; S91-H93 PolarHBondContact O-N 2.9Å
92	G	96.6	Very high	97.6	Very high	29 Å²	29	49.6 Å²	49.6	30%	0.299	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	3	-177.7	0	0	0	0	0	115.5	C10 E11 Y86 D90	C10-G92 PolarHBondContact O-N 3.4Å; E11-G92 WeakPolarHBondContact OE1-CA 3.4Å; Y86-G92 PolarHBondContact OH-N 2.82Å; D90-G92 PolarHBondContact O-N 2.78Å
93	H	97.9	Very high	97.6	Very high	128 Å²	128	53.3 Å²	53.3	59%	0.593	27%	0.273	S	S	*	.	S	Bend	trans	-121.6	143	179.8	-62.8	-57.5	0	0	0	112.6	Y86 D90 S91 K95	Y86-H93 WeakPolarHBondContact CE2-O 3.39Å; Y86-H93 PolarHBondContact OH-O 2.98Å; Y86-H93 VanDerWaalsContact OH-O 3.06Å; D90-H93 WeakPolarHBondContact O-CB 3.4Å; D90-H93 PolarHBondContact O-N 3.24Å; S91-H93 PolarHBondContact O-N 2.9Å; H93-K95 PolarHBondContact O-N 3.06Å
94	F	97.9	Very high	97.6	Very high	150 Å²	150	51.4 Å²	51.4	66%	0.658	27%	0.272	S	S	*	.			trans	-66.8	122.4	171.7	-81.5	-76	0	0	0	111	Q7 I8	Q7-F94 HydrophobicContact CB-CD1 4.16Å; I8-F94 WeakPolarHBondContact O-CA 3.48Å
95	K	98.2	Very high	97.6	Very high	47 Å²	47	47.6 Å²	47.6	20%	0.204	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	136.1	174.4	173.9	172.8	-172.9	177.1	0	111.1	Q7 I8 P85 Y86 D90 H93 I97	Q7-K95 WeakPolarHBondContact CA-O 3.3Å; I8-K95 PolarHBondContact N-O 2.9Å; I8-K95 PolarHBondContact O-N 2.83Å; P85-K95 VanDerWaalsContact O-CE 3.3Å; P85-K95 WeakPolarHBondContact O-CE 3.25Å; P85-K95 PolarHBondContact O-NZ 2.97Å; Y86-K95 HydrophobicContact CD2-CB 3.84Å; Y86-K95 HydrophobicContact CD2-CD 4.17Å; Y86-K95 HydrophobicContact CD2-CG 4.44Å; Y86-K95 HydrophobicContact CE2-CB 3.89Å; D90-K95 HydrophobicContact CB-CD 3.92Å; D90-K95 VanDerWaalsContact CG-NZ 3.32Å; D90-K95 WeakPolarHBondContact OD1-CD 3.26Å; D90-K95 IonicContact OD1-NZ 3.35Å; D90-K95 PolarHBondContact OD1-NZ 3.46Å; D90-K95 WeakPolarHBondContact OD2-CD 3.33Å; D90-K95 IonicContact OD2-NZ 2.65Å; D90-K95 PolarHBondContact OD2-NZ 2.73Å; H93-K95 PolarHBondContact O-N 3.06Å; K95-I97 HydrophobicContact CG-CG2 4.43Å; K95-I97 PolarHBondContact O-N 3.24Å
96	T	98.1	Very high	97.6	Very high	38 Å²	38	50.1 Å²	50.1	23%	0.233	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	119.7	168.6	-56.1	0	0	0	0	110.3	V6 Q7 A98 K99	V6-T96 WeakPolarHBondContact O-CA 3.22Å; Q7-T96 WeakPolarHBondContact CG-OG1 3.45Å; Q7-T96 PolarHBondContact NE2-OG1 2.59Å; T96-A98 WeakPolarHBondContact CG2-O 3.3Å; T96-K99 HydrophobicContact CG2-CG 3.88Å
97	I	97.8	Very high	97.6	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.015	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	-14.2	-178.2	57.1	162.7	0	0	0	113.7	V6 I8 W27 I83 L84 Y86 K95 W116	V6-I97 HydrophobicContact CG1-CD1 4.44Å; V6-I97 HydrophobicContact CG1-CG1 4.27Å; V6-I97 PolarHBondContact O-N 2.95Å; I8-I97 HydrophobicContact CB-CD1 4.41Å; I8-I97 HydrophobicContact CD1-CD1 3.87Å; I8-I97 HydrophobicContact CD1-CG2 4.07Å; I8-I97 HydrophobicContact CG1-CD1 3.88Å; I8-I97 HydrophobicContact CG1-CG1 4.25Å; I8-I97 HydrophobicContact CG1-CG2 3.76Å; I8-I97 HydrophobicContact CG2-CD1 3.67Å; I8-I97 HydrophobicContact CG2-CG1 4.31Å; W27-I97 HydrophobicContact CH2-CD1 3.79Å; W27-I97 HydrophobicContact CH2-CG1 4.1Å; W27-I97 HydrophobicContact CZ3-CD1 3.71Å; W27-I97 HydrophobicContact CZ3-CG1 4.13Å; I83-I97 CarbonylContact C-O 3.58Å; I83-I97 VanDerWaalsContact CA-O 3.23Å; I83-I97 WeakPolarHBondContact CA-O 3.45Å; L84-I97 PolarHBondContact N-O 3.45Å; Y86-I97 HydrophobicContact CD2-CG2 4.34Å; K95-I97 HydrophobicContact CG-CG2 4.43Å; K95-I97 PolarHBondContact O-N 3.24Å; I97-W116 HydrophobicContact CD1-CH2 3.62Å; I97-W116 HydrophobicContact CD1-CZ3 4Å
98	A	98	Very high	97.5	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	150.7	172.8	0	0	0	0	0	110.3	G5 V6 W27 I83 T96 F100	G5-A98 WeakPolarHBondContact CA-O 3.4Å; V6-A98 PolarHBondContact N-O 2.89Å; W27-A98 HydrophobicContact CD2-CB 4.42Å; W27-A98 HydrophobicContact CE3-CB 4.32Å; W27-A98 HydrophobicContact CH2-CB 3.44Å; W27-A98 VanDerWaalsContact CH2-CB 3.44Å; W27-A98 HydrophobicContact CZ2-CB 3.53Å; W27-A98 HydrophobicContact CZ3-CB 3.85Å; I83-A98 HydrophobicContact CG1-CB 4.35Å; T96-A98 WeakPolarHBondContact CG2-O 3.3Å; A98-F100 HydrophobicContact CB-CE2 3.75Å; A98-F100 HydrophobicContact CB-CZ 3.98Å
99	K	98.2	Very high	97.5	Very high	102 Å²	102	54.9 Å²	54.9	44%	0.443	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	147	174.7	-57.9	179.3	-177.2	174.1	0	110.5	L4 I79 S82 T96	L4-K99 CarbonylContact O-C 3.51Å; L4-K99 WeakPolarHBondContact O-CA 3.27Å; I79-K99 HydrophobicContact CB-CB 4.34Å; I79-K99 HydrophobicContact CD1-CB 3.59Å; I79-K99 HydrophobicContact CG1-CB 4.24Å; I79-K99 PolarHBondContact N-O 3.25Å; S82-K99 PolarHBondContact OG-N 3.37Å; S82-K99 VanDerWaalsContact OG-N 3.08Å; S82-K99 PolarHBondContact OG-O 2.93Å; S82-K99 VanDerWaalsContact OG-O 3.13Å; T96-K99 HydrophobicContact CG2-CG 3.88Å
100	F	98.4	Very high	97.5	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	138.6	-175.4	-55.2	-99	0	0	0	110	L3 L4 V6 W27 I46 D77 I78 A98 F107	L3-F100 WeakPolarHBondContact CA-O 3.43Å; L4-F100 PolarHBondContact N-O 3.4Å; L4-F100 PolarHBondContact O-N 3.43Å; V6-F100 HydrophobicContact CB-CE2 4.27Å; V6-F100 HydrophobicContact CG2-CD2 4.41Å; V6-F100 HydrophobicContact CG2-CE2 3.64Å; V6-F100 HydrophobicContact CG2-CZ 4.38Å; W27-F100 HydrophobicContact CB-CE1 4.21Å; W27-F100 HydrophobicContact CB-CZ 3.98Å; W27-F100 AromaticContact CD2-CZ 3.76Å; W27-F100 HydrophobicContact CD2-CZ 3.76Å; W27-F100 HydrophobicContact CE3-CZ 4.14Å; W27-F100 HydrophobicContact CG-CE1 4.04Å; W27-F100 AromaticContact CG-CZ 3.66Å; W27-F100 HydrophobicContact CG-CZ 3.66Å; I46-F100 HydrophobicContact CB-CE1 4.12Å; I46-F100 HydrophobicContact CD1-CD1 3.56Å; I46-F100 HydrophobicContact CD1-CE1 3.79Å; I46-F100 HydrophobicContact CD1-CG 4.39Å; I46-F100 HydrophobicContact CG2-CD1 4.24Å; I46-F100 HydrophobicContact CG2-CE1 4.14Å; D77-F100 CarbonylContact O-C 3.54Å; D77-F100 WeakPolarHBondContact O-CA 3.36Å; I78-F100 HydrophobicContact CD1-CE1 4.19Å; I78-F100 HydrophobicContact CG1-CD1 3.94Å; I78-F100 HydrophobicContact CG1-CE1 3.72Å; A98-F100 HydrophobicContact CB-CE2 3.75Å; A98-F100 HydrophobicContact CB-CZ 3.98Å; F100-F107 HydrophobicContact CB-CE2 3.98Å; F100-F107 HydrophobicContact CB-CZ 3.79Å; F100-F107 HydrophobicContact CD1-CZ 4.31Å; F100-F107 AromaticContact CD2-CE2 3.57Å; F100-F107 HydrophobicContact CD2-CE2 3.57Å; F100-F107 HydrophobicContact CD2-CZ 4Å; F100-F107 HydrophobicContact CE2-CE2 4.23Å; F100-F107 AromaticContact CG-CE2 3.83Å; F100-F107 HydrophobicContact CG-CE2 3.83Å; F100-F107 AromaticContact CG-CZ 3.77Å; F100-F107 HydrophobicContact CG-CZ 3.77Å
101	D	97.7	Very high	97.4	Very high	27 Å²	27	49.5 Å²	49.5	14%	0.144	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	110.2	167.7	179.5	10.8	0	0	0	109	M1 L3 A76 D77 I79 R103	M1-D101 WeakPolarHBondContact CG-OD1 3.41Å; L3-D101 HydrophobicContact CD2-CB 4.13Å; A76-D101 VanDerWaalsContact CA-O 3.29Å; A76-D101 WeakPolarHBondContact CA-O 3.37Å; D77-D101 HydrophobicContact CB-CB 4.48Å; D77-D101 PolarHBondContact N-O 3.32Å; D77-D101 PolarHBondContact O-N 2.92Å; I79-D101 HydrophobicContact CG1-CB 4.42Å; D101-R103 IonicContact OD1-CZ 3.87Å; D101-R103 IonicContact OD1-NH1 3.83Å; D101-R103 IonicContact OD1-NH2 3.72Å; D101-R103 IonicContact OD2-CZ 3.3Å; D101-R103 VanDerWaalsContact OD2-CZ 3.3Å; D101-R103 IonicContact OD2-NH1 3.2Å; D101-R103 PolarHBondContact OD2-NH1 3.28Å; D101-R103 IonicContact OD2-NH2 2.69Å; D101-R103 PolarHBondContact OD2-NH2 2.8Å
102	C	97.9	Very high	97.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	139.8	-172.4	-58.8	0	0	0	0	112.4	M1 V2 L4 L105 F107	M1-C102 WeakPolarHBondContact CA-O 2.86Å; V2-C102 PolarHBondContact N-O 3.14Å; V2-C102 PolarHBondContact O-N 3.29Å; L4-C102 HydrophobicContact CD1-CB 4.01Å; L4-C102 HydrophobicContact CG-CB 4.31Å; C102-L105 HydrophobicContact CB-CD1 3.88Å; C102-L105 HydrophobicContact CB-CG 4.42Å; C102-F107 VanDerWaalsContact SG-CZ 3.53Å
103	R	96.9	Very high	97.2	Very high	89 Å²	89	52 Å²	52	34%	0.336	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	113	176.3	-60.5	-178.2	-179.6	72.3	10.5	110.5	M1 S74 N75 D77 D101 L105	M1-R103 PolarHBondContact SD-NH2 3.31Å; S74-R103 VanDerWaalsContact CA-O 3.27Å; S74-R103 WeakPolarHBondContact CA-O 3.28Å; S74-R103 WeakPolarHBondContact CB-O 3.16Å; N75-R103 PolarHBondContact N-O 2.91Å; N75-R103 PolarHBondContact O-N 3.19Å; N75-R103 WeakPolarHBondContact OD1-CB 3.46Å; N75-R103 WeakPolarHBondContact OD1-CD 3.38Å; D77-R103 IonicContact OD2-NH1 3.85Å; D101-R103 IonicContact OD1-CZ 3.87Å; D101-R103 IonicContact OD1-NH1 3.83Å; D101-R103 IonicContact OD1-NH2 3.72Å; D101-R103 IonicContact OD2-CZ 3.3Å; D101-R103 VanDerWaalsContact OD2-CZ 3.3Å; D101-R103 IonicContact OD2-NH1 3.2Å; D101-R103 PolarHBondContact OD2-NH1 3.28Å; D101-R103 IonicContact OD2-NH2 2.69Å; D101-R103 PolarHBondContact OD2-NH2 2.8Å; R103-L105 VanDerWaalsContact C-N 3.3Å; R103-L105 PolarHBondContact O-N 2.86Å
104	G	96.8	Very high	97.1	Very high	35 Å²	35	49.4 Å²	49.4	36%	0.361	25%	0.249	S	C	.	.	S	Bend	trans	77.1	12.6	174.6	0	0	0	0	0	114.7	G34 S74	G34-G104 PolarHBondContact N-O 3.46Å; S74-G104 PolarHBondContact OG-O 2.94Å
105	L	97.5	Very high	97	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.021	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	157.2	175.1	64.2	82.5	0	0	0	111	V31 K32 L63 I65 A76 C102 R103 F107	V31-L105 HydrophobicContact CG1-CD1 4.46Å; K32-L105 CarbonylContact O-C 3.51Å; K32-L105 VanDerWaalsContact O-CA 3.22Å; K32-L105 WeakPolarHBondContact O-CA 3.23Å; L63-L105 HydrophobicContact CD2-CD2 4.49Å; I65-L105 HydrophobicContact CG2-CD2 3.92Å; A76-L105 HydrophobicContact CB-CD1 4.38Å; A76-L105 HydrophobicContact CB-CD2 4.28Å; C102-L105 HydrophobicContact CB-CD1 3.88Å; C102-L105 HydrophobicContact CB-CG 4.42Å; R103-L105 VanDerWaalsContact C-N 3.3Å; R103-L105 PolarHBondContact O-N 2.86Å; L105-F107 HydrophobicContact CD1-CD1 3.98Å; L105-F107 HydrophobicContact CD1-CE1 3.59Å
106	E	97.5	Very high	96.9	Very high	104 Å²	104	40.8 Å²	40.8	49%	0.486	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	153.6	171.4	-65.6	179	175.8	0	0	109.4	V31 K32	V31-E106 CarbonylContact C-O 3.56Å; V31-E106 WeakPolarHBondContact CA-O 3.31Å; V31-E106 WeakPolarHBondContact CB-O 3.41Å; K32-E106 HydrophobicContact CB-CB 4.44Å; K32-E106 PolarHBondContact N-O 3.28Å; K32-E106 PolarHBondContact O-N 2.85Å
107	F	97.2	Very high	96.9	Very high	42 Å²	42	39.6 Å²	39.6	18%	0.184	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	135.4	175.4	-57.1	-24.9	0	0	0	110.2	L4 L29 V31 I46 F100 C102 L105	L4-F107 HydrophobicContact CB-CD2 3.78Å; L4-F107 HydrophobicContact CB-CE2 3.67Å; L4-F107 HydrophobicContact CB-CZ 4.4Å; L4-F107 HydrophobicContact CD1-CD1 4.19Å; L4-F107 HydrophobicContact CD1-CD2 4.01Å; L4-F107 HydrophobicContact CD1-CE1 4.41Å; L4-F107 HydrophobicContact CD1-CE2 4.23Å; L4-F107 HydrophobicContact CD1-CG 3.99Å; L4-F107 HydrophobicContact CD1-CZ 4.43Å; L29-F107 HydrophobicContact CD1-CD1 4Å; L29-F107 HydrophobicContact CD1-CD2 4.34Å; L29-F107 HydrophobicContact CD1-CE1 3.69Å; L29-F107 HydrophobicContact CD1-CE2 4.06Å; L29-F107 HydrophobicContact CD1-CG 4.31Å; L29-F107 HydrophobicContact CD1-CZ 3.72Å; L29-F107 HydrophobicContact CD2-CB 4.48Å; L29-F107 HydrophobicContact CD2-CD2 4.26Å; L29-F107 HydrophobicContact CD2-CG 4.2Å; V31-F107 HydrophobicContact CG1-CD1 3.91Å; V31-F107 HydrophobicContact CG1-CE1 4.29Å; I46-F107 HydrophobicContact CD1-CE1 4.14Å; I46-F107 HydrophobicContact CD1-CZ 3.93Å; F100-F107 HydrophobicContact CB-CE2 3.98Å; F100-F107 HydrophobicContact CB-CZ 3.79Å; F100-F107 HydrophobicContact CD1-CZ 4.31Å; F100-F107 AromaticContact CD2-CE2 3.57Å; F100-F107 HydrophobicContact CD2-CE2 3.57Å; F100-F107 HydrophobicContact CD2-CZ 4Å; F100-F107 HydrophobicContact CE2-CE2 4.23Å; F100-F107 AromaticContact CG-CE2 3.83Å; F100-F107 HydrophobicContact CG-CE2 3.83Å; F100-F107 AromaticContact CG-CZ 3.77Å; F100-F107 HydrophobicContact CG-CZ 3.77Å; C102-F107 VanDerWaalsContact SG-CZ 3.53Å; L105-F107 HydrophobicContact CD1-CD1 3.98Å; L105-F107 HydrophobicContact CD1-CE1 3.59Å
108	T	96.9	Very high	96.9	Very high	63 Å²	63	39.5 Å²	39.5	39%	0.387	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	-24.1	179.2	47.4	0	0	0	0	113.7	K30 K32 D39	K30-T108 PolarHBondContact O-N 2.83Å; K30-T108 PolarHBondContact O-OG1 3.36Å; K32-T108 HydrophobicContact CB-CG2 3.74Å; K32-T108 HydrophobicContact CD-CG2 4.47Å; D39-T108 VanDerWaalsContact OD1-CG2 3.25Å; D39-T108 WeakPolarHBondContact OD1-CG2 3.2Å; D39-T108 PolarHBondContact OD1-OG1 3.08Å
109	E	96.8	Very high	96.9	Very high	83 Å²	83	41.1 Å²	41.1	39%	0.388	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	145.5	177.3	-154.9	176.9	152.8	0	0	109.4	L29 K30 Y43	L29-E109 CarbonylContact C-O 3.57Å; L29-E109 VanDerWaalsContact CA-O 3.22Å; L29-E109 WeakPolarHBondContact CA-O 3.4Å; K30-E109 HydrophobicContact CB-CB 3.8Å; K30-E109 HydrophobicContact CD-CB 4.27Å; K30-E109 VanDerWaalsContact CD-OE2 3.27Å; K30-E109 WeakPolarHBondContact CD-OE2 3.31Å; K30-E109 VanDerWaalsContact CE-OE2 3.3Å; K30-E109 WeakPolarHBondContact CE-OE2 3.28Å; K30-E109 HydrophobicContact CG-CB 4.06Å; K30-E109 PolarHBondContact N-O 3.47Å; K30-E109 IonicContact NZ-OE2 2.73Å; K30-E109 PolarHBondContact NZ-OE2 2.94Å; Y43-E109 HydrophobicContact CE1-CB 4.43Å; Y43-E109 HydrophobicContact CE1-CG 4.42Å; Y43-E109 WeakPolarHBondContact OH-CG 3.17Å; Y43-E109 PolarHBondContact OH-OE1 2.98Å
110	F	96.1	Very high	96.9	Very high	50 Å²	50	37.3 Å²	37.3	22%	0.219	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	135.3	174	171	-119.2	0	0	0	109.6	V6 I8 W27 Y28 L29 P112 W116	V6-F110 HydrophobicContact CG1-CD1 3.64Å; V6-F110 HydrophobicContact CG1-CD2 4.17Å; V6-F110 HydrophobicContact CG1-CE1 3.69Å; V6-F110 HydrophobicContact CG1-CE2 4.24Å; V6-F110 HydrophobicContact CG1-CG 3.89Å; V6-F110 HydrophobicContact CG1-CZ 3.99Å; V6-F110 HydrophobicContact CG2-CD2 4.46Å; I8-F110 HydrophobicContact CG2-CD1 4.49Å; I8-F110 HydrophobicContact CG2-CE1 3.95Å; W27-F110 AromaticContact CE3-CE2 3.71Å; W27-F110 HydrophobicContact CE3-CE2 3.71Å; W27-F110 AromaticContact CE3-CZ 3.91Å; W27-F110 HydrophobicContact CE3-CZ 3.91Å; W27-F110 HydrophobicContact CZ3-CE2 4.27Å; W27-F110 AromaticContact CZ3-CZ 4Å; W27-F110 HydrophobicContact CZ3-CZ 4Å; Y28-F110 VanDerWaalsContact O-CD2 3.3Å; Y28-F110 WeakPolarHBondContact O-CD2 3.46Å; L29-F110 HydrophobicContact CD2-CB 3.91Å; L29-F110 HydrophobicContact CD2-CD2 3.73Å; L29-F110 HydrophobicContact CD2-CG 4.25Å; L29-F110 HydrophobicContact CG-CD2 4.43Å; F110-P112 HydrophobicContact CE1-CB 3.9Å; F110-P112 HydrophobicContact CZ-CB 3.95Å; F110-W116 HydrophobicContact CZ-CH2 4.46Å; F110-W116 HydrophobicContact CZ-CZ2 4.14Å
111	S	96	Very high	96.8	Very high	20 Å²	20	40.2 Å²	40.2	14%	0.14	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	112.3	176	179.3	0	0	0	0	109.2	Y28 R113	Y28-S111 WeakPolarHBondContact CB-O 3.39Å; Y28-S111 PolarHBondContact O-N 2.96Å; S111-R113 VanDerWaalsContact OG-CG 3.28Å; S111-R113 WeakPolarHBondContact OG-CG 3.21Å
112	P	95	Very high	96.7	Very high	33 Å²	33	44.9 Å²	44.9	21%	0.214	25%	0.248	C	C	.	.			trans	-73.1	-31.7	-173.4	27.7	-34.8	0	0	0	113.4	F110 W116 L132	F110-P112 HydrophobicContact CE1-CB 3.9Å; F110-P112 HydrophobicContact CZ-CB 3.95Å; P112-W116 HydrophobicContact CB-CZ2 3.62Å; P112-W116 PolarHBondContact O-NE1 3Å; P112-L132 HydrophobicContact CB-CB 3.97Å; P112-L132 HydrophobicContact CB-CD1 4.21Å; P112-L132 HydrophobicContact CG-CB 3.84Å
113	R	94.7	Very high	96.6	Very high	74 Å²	74	48 Å²	48	28%	0.279	27%	0.269	S	S	.	.			trans	48.9	-139.5	178.8	-52.3	-164.3	-172.5	177.5	-3.6	112.7	Y28 Y43 S111 W116 L132	Y28-R113 HydrophobicContact CD2-CB 4.23Å; Y28-R113 VanDerWaalsContact CD2-CD 3.41Å; Y28-R113 HydrophobicContact CD2-CG 3.88Å; Y28-R113 HydrophobicContact CE2-CB 4.38Å; Y28-R113 HydrophobicContact CE2-CG 4.33Å; Y28-R113 HydrophobicContact CG-CG 4.42Å; Y43-R113 VanDerWaalsContact CB-NH2 3.3Å; S111-R113 VanDerWaalsContact OG-CG 3.28Å; S111-R113 WeakPolarHBondContact OG-CG 3.21Å; R113-W116 PolarHBondContact O-NE1 3.05Å; R113-L132 PolarHBondContact O-N 3.42Å
114	S	95	Very high	96.5	Very high	74 Å²	74	51.8 Å²	51.8	52%	0.517	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	174.4	-177.8	62.2	0	0	0	0	112.8	I130	S114-I130 WeakPolarHBondContact CA-O 3.41Å
115	G	95.7	Very high	96.5	Very high	13 Å²	13	52 Å²	52	13%	0.134	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	96.4	24.1	179.9	0	0	0	0	0	113.1	S21 F25 I130	S21-G115 PolarHBondContact N-O 3.46Å; S21-G115 PolarHBondContact OG-O 3.3Å; F25-G115 WeakPolarHBondContact CD2-O 3.44Å; F25-G115 VanDerWaalsContact CE2-O 3.28Å; F25-G115 WeakPolarHBondContact CE2-O 3.41Å; G115-I130 PolarHBondContact N-O 3.23Å
116	W	97.5	Very high	96.5	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.008	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	151.8	176.6	-61	84.9	0	0	0	110.5	L18 S19 F25 W27 I97 F110 P112 R113 D129 I130 L132	L18-W116 HydrophobicContact CD1-CB 3.93Å; L18-W116 HydrophobicContact CD1-CD2 4.48Å; L18-W116 HydrophobicContact CD1-CE3 4.09Å; L18-W116 HydrophobicContact CD1-CG 4.45Å; L18-W116 HydrophobicContact CG-CE3 4.04Å; S19-W116 CarbonylContact O-C 3.55Å; S19-W116 WeakPolarHBondContact O-CA 3.37Å; F25-W116 HydrophobicContact CE1-CZ2 4.23Å; F25-W116 HydrophobicContact CE2-CD2 4.19Å; F25-W116 AromaticContact CE2-CE2 3.9Å; F25-W116 HydrophobicContact CE2-CG 4.38Å; F25-W116 HydrophobicContact CE2-CZ2 4.32Å; F25-W116 AromaticContact CE2-NE1 3.86Å; F25-W116 HydrophobicContact CZ-CD2 4.18Å; F25-W116 AromaticContact CZ-CE2 3.51Å; F25-W116 HydrophobicContact CZ-CH2 4.13Å; F25-W116 AromaticContact CZ-CZ2 3.49Å; F25-W116 HydrophobicContact CZ-CZ2 3.49Å; F25-W116 VanDerWaalsContact CZ-CZ2 3.49Å; F25-W116 AromaticContact CZ-NE1 3.7Å; W27-W116 HydrophobicContact CH2-CH2 4.41Å; W27-W116 HydrophobicContact CZ3-CH2 4.31Å; I97-W116 HydrophobicContact CD1-CH2 3.62Å; I97-W116 HydrophobicContact CD1-CZ3 4Å; F110-W116 HydrophobicContact CZ-CH2 4.46Å; F110-W116 HydrophobicContact CZ-CZ2 4.14Å; P112-W116 HydrophobicContact CB-CZ2 3.62Å; P112-W116 PolarHBondContact O-NE1 3Å; R113-W116 PolarHBondContact O-NE1 3.05Å; W116-D129 PolarHBondContact O-N 2.82Å; W116-I130 HydrophobicContact CB-CB 3.92Å; W116-I130 HydrophobicContact CB-CG2 4.35Å; W116-I130 PolarHBondContact N-O 3.15Å; W116-I130 WeakPolarHBondContact O-CB 3.48Å; W116-I130 PolarHBondContact O-N 2.64Å; W116-L132 HydrophobicContact CD2-CD1 3.66Å; W116-L132 HydrophobicContact CD2-CG 4.48Å; W116-L132 HydrophobicContact CE3-CD1 4.27Å; W116-L132 HydrophobicContact CG-CD1 3.75Å; W116-L132 HydrophobicContact CG-CG 4.08Å; W116-L132 HydrophobicContact CZ2-CD1 4.25Å
117	S	97.8	Very high	96.4	Very high	13 Å²	13	55.5 Å²	55.5	9%	0.091	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	147.3	169.8	-175	0	0	0	0	109.9	L18 S19 V126 F127 D128	L18-S117 CarbonylContact C-O 3.51Å; L18-S117 VanDerWaalsContact CA-O 3.31Å; L18-S117 WeakPolarHBondContact CA-O 3.5Å; S19-S117 PolarHBondContact N-O 3.2Å; S19-S117 PolarHBondContact O-N 2.93Å; S117-V126 WeakPolarHBondContact OG-CG1 3.44Å; S117-F127 CarbonylContact C-O 3.56Å; S117-F127 WeakPolarHBondContact CA-O 3.27Å; S117-F127 PolarHBondContact OG-O 2.82Å; S117-D128 VanDerWaalsContact CB-OD1 3.27Å; S117-D128 WeakPolarHBondContact CB-OD1 3.46Å; S117-D128 PolarHBondContact OG-OD1 2.88Å
118	A	98.1	Very high	96.4	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.008	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	154.7	173.5	0	0	0	0	0	110.7	L15 L18 F127 I130	L15-A118 HydrophobicContact CD2-CB 4.46Å; L18-A118 HydrophobicContact CB-CB 4.46Å; L18-A118 HydrophobicContact CD1-CB 4.24Å; A118-F127 PolarHBondContact N-O 2.97Å; A118-F127 PolarHBondContact O-N 2.89Å; A118-I130 HydrophobicContact CB-CD1 3.64Å
119	S	98	Very high	96.1	Very high	34 Å²	34	61.5 Å²	61.5	24%	0.238	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	149	178.8	-49.1	0	0	0	0	111.2	L15 T16	L15-S119 CarbonylContact C-O 3.56Å; L15-S119 VanDerWaalsContact CA-O 3.32Å; L15-S119 WeakPolarHBondContact CA-O 3.2Å; T16-S119 PolarHBondContact N-O 2.86Å; T16-S119 PolarHBondContact O-N 3.3Å
120	S	97.9	Very high	96.1	Very high	22 Å²	22	59.3 Å²	59.3	15%	0.154	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	142.7	168	-176.3	0	0	0	0	110.9	N122 S123 A125	S120-N122 VanDerWaalsContact C-N 3.31Å; S120-N122 PolarHBondContact OG-N 3.3Å; S120-S123 WeakPolarHBondContact CB-OG 3.32Å; S120-S123 PolarHBondContact OG-N 3.09Å; S120-S123 PolarHBondContact OG-OG 2.78Å; S120-S123 VanDerWaalsContact OG-OG 3.04Å; S120-A125 PolarHBondContact N-O 3.2Å
121	V	96.6	Very high	96	Very high	62 Å²	62	60.1 Å²	60.1	38%	0.376	35%	0.349	S	S	.	.	S	Bend	trans	-73.5	-27.5	172.5	-179.8	0	0	0	0	111.5	N14 L15 T16 L88	N14-V121 PolarHBondContact O-N 3.24Å; L15-V121 WeakPolarHBondContact O-CG2 3.28Å; T16-V121 HydrophobicContact CG2-CG2 4.22Å; L88-V121 HydrophobicContact CD2-CG1 4.23Å; L88-V121 HydrophobicContact CD2-CG2 4Å
122	N	94.3	Very high	95.9	Very high	124 Å²	124	62.3 Å²	62.3	66%	0.663	36%	0.359	S	S	*	.	S	Bend	trans	-113.3	4.2	-167.1	-59.6	-40.1	0	0	0	113.5	S120	S120-N122 VanDerWaalsContact C-N 3.31Å; S120-N122 PolarHBondContact OG-N 3.3Å
123	S	95.4	Very high	95.6	Very high	65 Å²	65	64.2 Å²	64.2	46%	0.455	37%	0.37	S	S	.	.	S	Bend	trans	-157.8	170.2	-178.8	66.2	0	0	0	0	111.3	S120 A125	S120-S123 WeakPolarHBondContact CB-OG 3.32Å; S120-S123 PolarHBondContact OG-N 3.09Å; S120-S123 PolarHBondContact OG-OG 2.78Å; S120-S123 VanDerWaalsContact OG-OG 3.04Å; S123-A125 PolarHBondContact O-N 3.33Å; S123-A125 WeakPolarHBondContact OG-CB 3.4Å; S123-A125 PolarHBondContact OG-N 2.88Å
124	D	95.3	Very high	94.7	Very high	170 Å²	170	68 Å²	68	91%	0.909	40%	0.396	S	S	*	.	S	Bend	trans	-78.6	10.7	175	-56.9	-41.5	0	0	0	113.2	V126	D124-V126 PolarHBondContact O-N 3.48Å
125	A	97.5	Very high	92.9	Very high	40 Å²	40	72.5 Å²	72.5	33%	0.331	41%	0.409	S	S	.	.			trans	-69.6	131.3	179.6	0	0	0	0	0	111.3	S120 S123 F127	S120-A125 PolarHBondContact N-O 3.2Å; S123-A125 PolarHBondContact O-N 3.33Å; S123-A125 WeakPolarHBondContact OG-CB 3.4Å; S123-A125 PolarHBondContact OG-N 2.88Å; A125-F127 HydrophobicContact CB-CE2 4.32Å; A125-F127 HydrophobicContact CB-CZ 4.49Å
126	V	97	Very high	90.2	Very high	80 Å²	80	77.7 Å²	77.7	49%	0.485	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135.4	170.9	-178.6	0	0	0	0	108.1	S117 D124	S117-V126 WeakPolarHBondContact OG-CG1 3.44Å; D124-V126 PolarHBondContact O-N 3.48Å
127	F	96.5	Very high	87	Confident	101 Å²	101	86.4 Å²	86.4	44%	0.443	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	109.6	177	-60.4	-90.2	0	0	0	107.6	L15 S117 A118 A125 I130	L15-F127 HydrophobicContact CD2-CD2 3.59Å; L15-F127 HydrophobicContact CD2-CE2 3.59Å; S117-F127 CarbonylContact C-O 3.56Å; S117-F127 WeakPolarHBondContact CA-O 3.27Å; S117-F127 PolarHBondContact OG-O 2.82Å; A118-F127 PolarHBondContact N-O 2.97Å; A118-F127 PolarHBondContact O-N 2.89Å; A125-F127 HydrophobicContact CB-CE2 4.32Å; A125-F127 HydrophobicContact CB-CZ 4.49Å; F127-I130 HydrophobicContact CB-CD1 3.93Å; F127-I130 HydrophobicContact CB-CG1 4.21Å; F127-I130 WeakPolarHBondContact O-CD1 3.14Å
128	D	95.2	Very high	83.8	Confident	99 Å²	99	97.7 Å²	97.7	53%	0.529	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	169.7	177.6	-64.3	-48.8	0	0	0	111.5	S117 I130	S117-D128 VanDerWaalsContact CB-OD1 3.27Å; S117-D128 WeakPolarHBondContact CB-OD1 3.46Å; S117-D128 PolarHBondContact OG-OD1 2.88Å; D128-I130 PolarHBondContact O-N 3.42Å; D128-I130 VanDerWaalsContact O-N 3.15Å
129	D	91.9	Very high	83.1	Confident	131 Å²	131	102.5 Å²	102.5	70%	0.701	55%	0.553	S	S	*	*	E	Extended strand (participates in β ladder)	trans	53.2	31.8	-179.6	-66.9	-34.8	0	0	0	114.4	W116 S131	W116-D129 PolarHBondContact O-N 2.82Å; D129-S131 PolarHBondContact O-N 3.04Å
130	I	95.5	Very high	82.3	Confident	37 Å²	37	106.1 Å²	106.1	19%	0.19	57%	0.569	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-63.1	131.2	176.1	-60.6	169.7	0	0	0	109.1	S114 G115 W116 A118 F127 D128 L132	S114-I130 WeakPolarHBondContact CA-O 3.41Å; G115-I130 PolarHBondContact N-O 3.23Å; W116-I130 HydrophobicContact CB-CB 3.92Å; W116-I130 HydrophobicContact CB-CG2 4.35Å; W116-I130 PolarHBondContact N-O 3.15Å; W116-I130 WeakPolarHBondContact O-CB 3.48Å; W116-I130 PolarHBondContact O-N 2.64Å; A118-I130 HydrophobicContact CB-CD1 3.64Å; F127-I130 HydrophobicContact CB-CD1 3.93Å; F127-I130 HydrophobicContact CB-CG1 4.21Å; F127-I130 WeakPolarHBondContact O-CD1 3.14Å; D128-I130 PolarHBondContact O-N 3.42Å; D128-I130 VanDerWaalsContact O-N 3.15Å; I130-L132 HydrophobicContact CG2-CD2 3.94Å; I130-L132 HydrophobicContact CG2-CG 4.39Å
131	S	94.9	Very high	81.5	Confident	68 Å²	68	110.8 Å²	110.8	48%	0.476	59%	0.592	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.5	125.3	169.4	171.7	0	0	0	0	110.1	D129 T133	D129-S131 PolarHBondContact O-N 3.04Å; S131-T133 PolarHBondContact OG-N 3.27Å; S131-T133 PolarHBondContact OG-OG1 3.36Å
132	L	93.7	Very high	80.6	Confident	65 Å²	65	113.6 Å²	113.6	34%	0.34	61%	0.605	S	S	.	*			trans	-105.8	21.7	171.2	-58.2	-178.7	0	0	0	111.6	L18 P112 R113 W116 I130	L18-L132 HydrophobicContact CD1-CD1 4.46Å; L18-L132 HydrophobicContact CD2-CD1 4.13Å; P112-L132 HydrophobicContact CB-CB 3.97Å; P112-L132 HydrophobicContact CB-CD1 4.21Å; P112-L132 HydrophobicContact CG-CB 3.84Å; R113-L132 PolarHBondContact O-N 3.42Å; W116-L132 HydrophobicContact CD2-CD1 3.66Å; W116-L132 HydrophobicContact CD2-CG 4.48Å; W116-L132 HydrophobicContact CE3-CD1 4.27Å; W116-L132 HydrophobicContact CG-CD1 3.75Å; W116-L132 HydrophobicContact CG-CG 4.08Å; W116-L132 HydrophobicContact CZ2-CD1 4.25Å; I130-L132 HydrophobicContact CG2-CD2 3.94Å; I130-L132 HydrophobicContact CG2-CG 4.39Å
133	T	89.2	Confident	79.7	Confident	73 Å²	73	113 Å²	113	45%	0.448	60%	0.602	S	S	.	*	S	Bend	trans	-77.2	137.7	169.9	-21.9	0	0	0	0	108.6	S131 E135	S131-T133 PolarHBondContact OG-N 3.27Å; S131-T133 PolarHBondContact OG-OG1 3.36Å; T133-E135 PolarHBondContact O-N 3.11Å
134	D	75.8	Confident	78.7	Confident	153 Å²	153	116.2 Å²	116.2	82%	0.818	61%	0.611	S	S	*	*			trans	-54.7	118	176.9	-71.5	-36.9	0	0	0	110.4	V136	D134-V136 PolarHBondContact O-N 3.07Å; D134-V136 VanDerWaalsContact O-N 3.11Å
135	E	57.1	Low	77.5	Confident	169 Å²	169	112.4 Å²	112.4	79%	0.79	59%	0.59	S	S	*	*			trans	-72.1	100.1	159.1	-70.8	-170.4	165.9	0	0	106.4	T133 K137	T133-E135 PolarHBondContact O-N 3.11Å; E135-K137 PolarHBondContact O-N 2.75Å
136	V	38.1	Very low	75.9	Confident	122 Å²	122	117.9 Å²	117.9	74%	0.739	61%	0.61	S	S	*	*			trans	-61.2	92.9	164.1	-178.8	0	0	0	0	106.1	D134 Q138	D134-V136 PolarHBondContact O-N 3.07Å; D134-V136 VanDerWaalsContact O-N 3.11Å; V136-Q138 VanDerWaalsContact C-N 3.29Å; V136-Q138 HydrophobicContact CG1-CG 4.48Å; V136-Q138 PolarHBondContact O-N 2.92Å
137	K	32	Very low	74.2	Confident	185 Å²	185	121.1 Å²	121.1	80%	0.804	62%	0.621	S	S	*	*			trans	-62.6	99.6	163.8	-71.3	-173	179.1	-180	0	105.9	E135	E135-K137 PolarHBondContact O-N 2.75Å
138	Q	30.3	Very low	72.2	Confident	250 Å²	250	122.9 Å²	122.9	100%	1.168	64%	0.637	S	S	*	*			trans	-63.6	0	165.3	-70.2	-172.9	-1.6	0	0	110	V136	V136-Q138 VanDerWaalsContact C-N 3.29Å; V136-Q138 HydrophobicContact CG1-CG 4.48Å; V136-Q138 PolarHBondContact O-N 2.92Å

Retrieved 138 of 138 residues in 95.7 ms (Link to these results)

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