A0A3B3UKK2_9TELE Loading...

Guanine nucleotide exchange factor MSS4

Guanine-nucleotide-releasing protein that acts on members of the SEC4/YPT1/RAB subfamily. Stimulates GDP release from both YPT1, RAB3A and RAB10, but is less active on these proteins than on the SEC4 protein. Might play a general role in vesicular transport.

AlphaFold DB , UniProt , Accession A0A3B3UKK2, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 125 aa.

						>A0A3B3UKK2_9TELE|A0A3B3UKK2
MDKEGTERSDLVSEDGKNIKSVLCQRCGSKVLCPGMAVFAENELFLPSMRKKSSLSNTEGSVDGDTLTAHWLVDDMFSFENVGFTKDVGKIKYLICADCEIGPIGWHCLDDKKKFYVALDRVNHE
					

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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	41.1	Very low	59.3	Low	228 Å²	228	113 Å²	113	100%	1.123	59%	0.588	S	S	*	*				0	85.1	0	-99.3	166.2	70.4	0	0	103.5
2	D	40.2	Very low	62.3	Low	133 Å²	133	106.3 Å²	106.3	71%	0.711	56%	0.556	S	S	*	*			trans	-143.5	59.1	-165.5	-58.8	-86.8	0	0	0	108.8
3	K	44.9	Very low	64.8	Low	176 Å²	176	101 Å²	101	77%	0.765	53%	0.533	S	S	*	.	H	α-helix	trans	-80.4	-28	177.1	-77.8	-171.8	168.4	-176.4	0	112.7
4	E	47.7	Very low	66.8	Low	137 Å²	137	108.4 Å²	108.4	64%	0.64	56%	0.564	S	S	*	*	H	α-helix	trans	-72.9	-29.4	-178.4	-90.6	176.2	68.5	0	0	114.7	R8	E4-R8 WeakPolarHBondContact O-CG 3.31Å; E4-R8 IonicContact OE1-NH2 2.63Å; E4-R8 PolarHBondContact OE1-NH2 2.87Å
5	G	47	Very low	68.5	Low	46 Å²	46	110.5 Å²	110.5	47%	0.474	58%	0.576	S	S	.	*	H	α-helix	trans	-75.3	-32.7	-179.1	0	0	0	0	0	113.7	S9	G5-S9 PolarHBondContact O-OG 3.35Å
6	T	49.1	Very low	70.1	Confident	89 Å²	89	104.9 Å²	104.9	55%	0.546	55%	0.553	S	S	.	*	H	α-helix	trans	-77.4	-41.2	-177	-49.5	0	0	0	0	111.7	R8 S9	T6-R8 VanDerWaalsContact C-N 3.32Å; T6-R8 PolarHBondContact O-N 3.48Å; T6-S9 PolarHBondContact O-N 3.49Å
7	E	57.9	Low	71.7	Confident	134 Å²	134	103.9 Å²	103.9	63%	0.626	54%	0.543	S	S	*	.	H	α-helix	trans	-66.9	-30.3	-179.2	-71	-171.5	88.3	0	0	113.2	L11	E7-L11 WeakPolarHBondContact O-CG 3.42Å
8	R	68.7	Low	73.1	Confident	95 Å²	95	98.3 Å²	98.3	36%	0.358	51%	0.514	S	S	.	.	H	α-helix	trans	-70.1	-35.6	176.4	-68.9	179.7	-172.1	151.3	13.6	112.6	E4 T6 D10 L11 V12	E4-R8 WeakPolarHBondContact O-CG 3.31Å; E4-R8 IonicContact OE1-NH2 2.63Å; E4-R8 PolarHBondContact OE1-NH2 2.87Å; T6-R8 VanDerWaalsContact C-N 3.32Å; T6-R8 PolarHBondContact O-N 3.48Å; R8-D10 VanDerWaalsContact C-N 3.27Å; R8-D10 PolarHBondContact O-N 3.2Å; R8-L11 PolarHBondContact O-N 3.4Å; R8-V12 WeakPolarHBondContact O-CG2 3.48Å; R8-V12 PolarHBondContact O-N 2.83Å
9	S	72.6	Confident	74.4	Confident	82 Å²	82	97.4 Å²	97.4	57%	0.573	51%	0.509	S	S	*	.	H	α-helix	trans	-67.8	-28.4	-176.6	-55.9	0	0	0	0	112.5	G5 T6 L11	G5-S9 PolarHBondContact O-OG 3.35Å; T6-S9 PolarHBondContact O-N 3.49Å; S9-L11 VanDerWaalsContact C-N 3.34Å
10	D	89.3	Confident	75.5	Confident	99 Å²	99	96 Å²	96	53%	0.529	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-6.9	179.8	-64.7	-26	0	0	0	113.5	R8	R8-D10 VanDerWaalsContact C-N 3.27Å; R8-D10 PolarHBondContact O-N 3.2Å
11	L	93.6	Very high	76.6	Confident	24 Å²	24	92.4 Å²	92.4	13%	0.126	48%	0.481	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-24.3	-177.3	-65.8	-178.8	0	0	0	112.9	E7 R8 S9 N18 I19 K20 W71 H124	E7-L11 WeakPolarHBondContact O-CG 3.42Å; R8-L11 PolarHBondContact O-N 3.4Å; S9-L11 VanDerWaalsContact C-N 3.34Å; L11-N18 CarbonylContact O-C 3.31Å; L11-N18 WeakPolarHBondContact O-CA 3.26Å; L11-I19 PolarHBondContact O-N 2.72Å; L11-K20 HydrophobicContact CD2-CB 4.46Å; L11-K20 HydrophobicContact CD2-CD 3.73Å; L11-K20 HydrophobicContact CD2-CG 4.25Å; L11-W71 HydrophobicContact CB-CH2 4.49Å; L11-W71 HydrophobicContact CB-CZ2 4.21Å; L11-W71 WeakPolarHBondContact O-CH2 3.35Å; L11-H124 HydrophobicContact CD2-CB 3.57Å
12	V	96.1	Very high	79.3	Confident	33 Å²	33	81.5 Å²	81.5	20%	0.2	43%	0.428	C	S	.	.	B	Isolated β-bridge	trans	-114.8	124.7	-172.3	-172.3	0	0	0	0	110.1	R8 K17 I19 F39 W71	R8-V12 WeakPolarHBondContact O-CG2 3.48Å; R8-V12 PolarHBondContact O-N 2.83Å; V12-K17 CarbonylContact C-O 3.54Å; V12-K17 WeakPolarHBondContact CA-O 3.46Å; V12-I19 VanDerWaalsContact C-CD1 3.45Å; V12-I19 WeakPolarHBondContact O-CD1 3.31Å; V12-F39 HydrophobicContact CG1-CB 4.07Å; V12-F39 HydrophobicContact CG2-CB 3.97Å; V12-F39 HydrophobicContact CG2-CD2 4.12Å; V12-F39 HydrophobicContact CG2-CG 4.05Å; V12-W71 HydrophobicContact CG2-CH2 3.79Å; V12-W71 HydrophobicContact CG2-CZ3 4.31Å
13	S	94.6	Very high	82.1	Confident	37 Å²	37	76.1 Å²	76.1	26%	0.259	40%	0.399	S	S	.	.			trans	-73.1	170.4	176.8	74.5	0	0	0	0	111.6	D15 G16 K17	S13-D15 PolarHBondContact O-N 3.21Å; S13-D15 PolarHBondContact OG-N 2.83Å; S13-G16 WeakPolarHBondContact O-CA 3.34Å; S13-G16 PolarHBondContact O-N 2.77Å; S13-K17 PolarHBondContact N-O 2.91Å; S13-K17 PolarHBondContact OG-N 3.46Å; S13-K17 VanDerWaalsContact OG-N 3.08Å; S13-K17 PolarHBondContact OG-O 3.16Å
14	E	92.2	Very high	84.6	Confident	205 Å²	205	67.8 Å²	67.8	96%	0.958	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-32.2	174.6	-63.2	-176.2	104.4	0	0	112.6	G16	E14-G16 PolarHBondContact O-N 3.26Å
15	D	92.4	Very high	86.9	Confident	139 Å²	139	64.2 Å²	64.2	74%	0.743	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	7.8	175.4	-56	-56.3	0	0	0	113.6	S13 K17	S13-D15 PolarHBondContact O-N 3.21Å; S13-D15 PolarHBondContact OG-N 2.83Å; D15-K17 VanDerWaalsContact C-N 3.34Å; D15-K17 PolarHBondContact O-N 3.08Å
16	G	94.9	Very high	89.2	Confident	21 Å²	21	69.7 Å²	69.7	22%	0.216	35%	0.353	C	S	.	.	S	Bend	trans	78.2	12	179.9	0	0	0	0	0	114.8	S13 E14 V38 F39	S13-G16 WeakPolarHBondContact O-CA 3.34Å; S13-G16 PolarHBondContact O-N 2.77Å; E14-G16 PolarHBondContact O-N 3.26Å; G16-V38 CarbonylContact O-C 3.52Å; G16-V38 WeakPolarHBondContact O-CA 3.13Å; G16-V38 WeakPolarHBondContact O-CG1 3.45Å; G16-F39 PolarHBondContact O-N 3.24Å
17	K	96.9	Very high	91.4	Very high	89 Å²	89	68.6 Å²	68.6	39%	0.387	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-95.1	158.8	-174.8	-68.8	-179.4	162.1	-151	0	113.3	V12 S13 D15 I19 G35 A37 V38	V12-K17 CarbonylContact C-O 3.54Å; V12-K17 WeakPolarHBondContact CA-O 3.46Å; S13-K17 PolarHBondContact N-O 2.91Å; S13-K17 PolarHBondContact OG-N 3.46Å; S13-K17 VanDerWaalsContact OG-N 3.08Å; S13-K17 PolarHBondContact OG-O 3.16Å; D15-K17 VanDerWaalsContact C-N 3.34Å; D15-K17 PolarHBondContact O-N 3.08Å; K17-I19 PolarHBondContact O-N 2.96Å; K17-G35 WeakPolarHBondContact CD-O 3.36Å; K17-G35 PolarHBondContact NZ-O 2.84Å; K17-A37 CarbonylContact C-O 3.52Å; K17-A37 WeakPolarHBondContact CA-O 3.26Å; K17-A37 WeakPolarHBondContact CB-O 3.36Å; K17-V38 HydrophobicContact CG-CG2 4.14Å
18	N	97.2	Very high	93.3	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.011	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-65.1	120.9	173.6	67.7	-61.6	0	0	0	111.7	L11 K20 C33 P34 G35 M36 A37 W71	L11-N18 CarbonylContact O-C 3.31Å; L11-N18 WeakPolarHBondContact O-CA 3.26Å; N18-K20 PolarHBondContact ND2-O 3.18Å; N18-C33 PolarHBondContact ND2-O 3.06Å; N18-P34 WeakPolarHBondContact ND2-CA 3.39Å; N18-G35 PolarHBondContact O-N 3.02Å; N18-G35 PolarHBondContact OD1-N 3.3Å; N18-M36 PolarHBondContact OD1-N 2.9Å; N18-A37 PolarHBondContact N-O 2.85Å; N18-A37 PolarHBondContact OD1-N 2.76Å; N18-A37 PolarHBondContact OD1-O 2.78Å; N18-W71 VanDerWaalsContact CA-CH2 3.41Å; N18-W71 HydrophobicContact CB-CD2 3.91Å; N18-W71 HydrophobicContact CB-CE3 3.85Å; N18-W71 HydrophobicContact CB-CH2 3.52Å; N18-W71 HydrophobicContact CB-CZ2 3.53Å; N18-W71 HydrophobicContact CB-CZ3 3.66Å
19	I	97.3	Very high	94.7	Very high	81 Å²	81	60.2 Å²	60.2	42%	0.415	33%	0.325	S	S	.	.	S	Bend	trans	-74.8	-36.7	176.6	-61.5	171.5	0	0	0	110.7	L11 V12 K17 P34	L11-I19 PolarHBondContact O-N 2.72Å; V12-I19 VanDerWaalsContact C-CD1 3.45Å; V12-I19 WeakPolarHBondContact O-CD1 3.31Å; K17-I19 PolarHBondContact O-N 2.96Å; I19-P34 WeakPolarHBondContact O-CB 3.2Å
20	K	97.3	Very high	95.9	Very high	69 Å²	69	60.2 Å²	60.2	30%	0.3	32%	0.315	S	S	.	.	S	Bend	trans	-100.9	158.6	-175	-64.6	-171.2	-170.2	172.9	0	111.9	L11 N18 H124	L11-K20 HydrophobicContact CD2-CB 4.46Å; L11-K20 HydrophobicContact CD2-CD 3.73Å; L11-K20 HydrophobicContact CD2-CG 4.25Å; N18-K20 PolarHBondContact ND2-O 3.18Å; K20-H124 HydrophobicContact CB-CB 3.95Å; K20-H124 HydrophobicContact CD-CB 4Å
21	S	97.6	Very high	96.3	Very high	21 Å²	21	55.5 Å²	55.5	15%	0.147	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-64.2	146.3	168.2	-53.3	0	0	0	0	109.3	L32 P34 H124 E125	S21-L32 WeakPolarHBondContact CA-O 3.47Å; S21-P34 WeakPolarHBondContact OG-CD 3.49Å; S21-H124 VanDerWaalsContact O-CA 3.3Å; S21-H124 WeakPolarHBondContact O-CA 3.02Å; S21-E125 WeakPolarHBondContact CB-O 3.42Å; S21-E125 PolarHBondContact N-O 2.96Å; S21-E125 PolarHBondContact O-N 3.12Å; S21-E125 VanDerWaalsContact O-N 3.15Å; S21-E125 PolarHBondContact OG-O 3.06Å
22	V	98.2	Very high	96.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	124	175	-175.3	0	0	0	0	108.7	V31 L32 W71 V117 V122	V22-V31 HydrophobicContact CG1-CB 4.37Å; V22-V31 WeakPolarHBondContact O-CA 3.49Å; V22-V31 WeakPolarHBondContact O-CB 3.25Å; V22-V31 PolarHBondContact O-N 3.02Å; V22-L32 HydrophobicContact CB-CB 3.93Å; V22-L32 HydrophobicContact CB-CD1 4.27Å; V22-L32 HydrophobicContact CG2-CB 4.01Å; V22-L32 HydrophobicContact CG2-CD1 4.06Å; V22-L32 PolarHBondContact N-O 3.08Å; V22-L32 PolarHBondContact O-N 2.72Å; V22-L32 VanDerWaalsContact O-N 3.17Å; V22-W71 HydrophobicContact CG2-CG 4.43Å; V22-V117 HydrophobicContact CG1-CG1 4.31Å; V22-V122 HydrophobicContact CG1-CB 3.64Å; V22-V122 HydrophobicContact CG1-CG1 3.9Å; V22-V122 HydrophobicContact CG1-CG2 3.49Å; V22-V122 VanDerWaalsContact CG1-CG2 3.49Å
23	L	98.3	Very high	96.6	Very high	19 Å²	19	54.3 Å²	54.3	10%	0.099	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	149.7	-173.1	-52.1	-178.1	0	0	0	111.5	Q25 S29 K30 V122 N123 E125	L23-Q25 PolarHBondContact O-N 2.93Å; L23-S29 CarbonylContact C-O 3.59Å; L23-S29 WeakPolarHBondContact CA-O 3.16Å; L23-K30 HydrophobicContact CD2-CB 3.88Å; L23-K30 HydrophobicContact CD2-CG 3.98Å; L23-V122 WeakPolarHBondContact O-CA 3.3Å; L23-V122 WeakPolarHBondContact O-CB 3.2Å; L23-N123 HydrophobicContact CB-CB 4.42Å; L23-N123 PolarHBondContact N-O 3.19Å; L23-N123 PolarHBondContact O-N 3.1Å; L23-E125 HydrophobicContact CD1-CB 3.77Å; L23-E125 WeakPolarHBondContact CD1-OE2 3.43Å
24	C	97.8	Very high	96.7	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.007	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	124.1	169.3	178.5	0	0	0	0	110.2	R26 G28 S29 C96	C24-R26 PolarHBondContact O-N 3.27Å; C24-R26 PolarHBondContact SG-N 3.21Å; C24-R26 VanDerWaalsContact SG-N 3.43Å; C24-G28 WeakPolarHBondContact O-CA 3.45Å; C24-G28 PolarHBondContact O-N 3.25Å; C24-S29 PolarHBondContact N-O 2.85Å; C24-C96 HydrophobicContact CB-CB 4.07Å
25	Q	95.7	Very high	97	Very high	62 Å²	62	47.1 Å²	47.1	29%	0.29	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-13.7	178.8	68.4	173.9	-78.7	0	0	114.8	L23 M49 R121 N123	L23-Q25 PolarHBondContact O-N 2.93Å; Q25-M49 HydrophobicContact CG-SD 4.45Å; Q25-M49 PolarHBondContact NE2-SD 3.38Å; Q25-M49 VanDerWaalsContact NE2-SD 3.36Å; Q25-R121 PolarHBondContact NE2-O 3.44Å; Q25-N123 WeakPolarHBondContact CB-OD1 3.33Å
26	R	95.3	Very high	97.2	Very high	162 Å²	162	44.1 Å²	44.1	61%	0.611	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-39.3	-175.1	-54.4	-58.9	-69.2	-162	-2.9	113.4	C24 I101	C24-R26 PolarHBondContact O-N 3.27Å; C24-R26 PolarHBondContact SG-N 3.21Å; C24-R26 VanDerWaalsContact SG-N 3.43Å; R26-I101 HydrophobicContact CB-CD1 4.02Å; R26-I101 HydrophobicContact CG-CB 4.24Å; R26-I101 HydrophobicContact CG-CD1 3.91Å; R26-I101 HydrophobicContact CG-CG2 3.97Å
27	C	96.7	Very high	97.3	Very high	65 Å²	65	43.2 Å²	43.2	44%	0.439	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130	-3.6	-175.1	65.2	0	0	0	0	114.4	S29 C99	C27-S29 PolarHBondContact O-N 3.37Å; C27-S29 VanDerWaalsContact SG-CB 3.53Å; C27-C99 HydrophobicContact CB-CB 4.17Å
28	G	97.1	Very high	97.4	Very high	44 Å²	44	42 Å²	42	45%	0.454	23%	0.232	S	C	.	.			trans	76.4	4.1	-177.8	0	0	0	0	0	114.9	C24 K30	C24-G28 WeakPolarHBondContact O-CA 3.45Å; C24-G28 PolarHBondContact O-N 3.25Å; G28-K30 PolarHBondContact O-N 3.36Å
29	S	97.5	Very high	97.3	Very high	9 Å²	9	44.1 Å²	44.1	6%	0.063	24%	0.241	C	C	.	.			trans	-53.7	131.7	175.9	-177.9	0	0	0	0	111.3	L23 C24 C27 V31 N81 C96 D98	L23-S29 CarbonylContact C-O 3.59Å; L23-S29 WeakPolarHBondContact CA-O 3.16Å; C24-S29 PolarHBondContact N-O 2.85Å; C27-S29 PolarHBondContact O-N 3.37Å; C27-S29 VanDerWaalsContact SG-CB 3.53Å; S29-V31 PolarHBondContact O-N 3.28Å; S29-N81 WeakPolarHBondContact OG-CB 2.91Å; S29-C96 VanDerWaalsContact CB-SG 3.58Å; S29-D98 WeakPolarHBondContact CB-OD2 3.32Å; S29-D98 PolarHBondContact OG-OD2 3.36Å
30	K	98.2	Very high	97.3	Very high	82 Å²	82	41 Å²	41	36%	0.357	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	119.8	-179.1	-173.3	-179.7	-65.5	179.3	0	110.4	L23 G28 E80 N81	L23-K30 HydrophobicContact CD2-CB 3.88Å; L23-K30 HydrophobicContact CD2-CG 3.98Å; G28-K30 PolarHBondContact O-N 3.36Å; K30-E80 HydrophobicContact CD-CG 3.99Å; K30-E80 HydrophobicContact CG-CB 4.27Å; K30-E80 HydrophobicContact CG-CG 4.14Å; K30-E80 WeakPolarHBondContact O-CB 3.35Å; K30-N81 VanDerWaalsContact O-CB 3.24Å; K30-N81 WeakPolarHBondContact O-CB 3.3Å; K30-N81 PolarHBondContact O-N 2.81Å; K30-N81 PolarHBondContact O-ND2 3.06Å
31	V	98.1	Very high	97.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	-45	178.5	-177.3	0	0	0	0	110.4	V22 S29 F79 E80 I104	V22-V31 HydrophobicContact CG1-CB 4.37Å; V22-V31 WeakPolarHBondContact O-CA 3.49Å; V22-V31 WeakPolarHBondContact O-CB 3.25Å; V22-V31 PolarHBondContact O-N 3.02Å; S29-V31 PolarHBondContact O-N 3.28Å; V31-F79 HydrophobicContact CG1-CD1 3.9Å; V31-F79 HydrophobicContact CG1-CE1 4.15Å; V31-F79 WeakPolarHBondContact O-CA 3.49Å; V31-E80 PolarHBondContact O-N 3.37Å; V31-I104 HydrophobicContact CG1-CD1 4.13Å; V31-I104 HydrophobicContact CG2-CD1 3.87Å
32	L	98	Very high	97	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	145.2	178.9	-66.9	157.4	0	0	0	111.5	S21 V22 M36 A37 W71 V73 S78 F79 V117	S21-L32 WeakPolarHBondContact CA-O 3.47Å; V22-L32 HydrophobicContact CB-CB 3.93Å; V22-L32 HydrophobicContact CB-CD1 4.27Å; V22-L32 HydrophobicContact CG2-CB 4.01Å; V22-L32 HydrophobicContact CG2-CD1 4.06Å; V22-L32 PolarHBondContact N-O 3.08Å; V22-L32 PolarHBondContact O-N 2.72Å; V22-L32 VanDerWaalsContact O-N 3.17Å; L32-M36 HydrophobicContact CD2-CB 4.22Å; L32-A37 HydrophobicContact CD1-CB 4.01Å; L32-W71 HydrophobicContact CD1-CB 4.47Å; L32-V73 HydrophobicContact CD1-CG2 3.73Å; L32-V73 HydrophobicContact CD2-CG1 4.43Å; L32-V73 HydrophobicContact CD2-CG2 3.78Å; L32-V73 HydrophobicContact CG-CG2 4.39Å; L32-S78 WeakPolarHBondContact CD2-O 3.49Å; L32-F79 HydrophobicContact CD1-CE1 4.11Å; L32-F79 HydrophobicContact CD2-CD1 3.57Å; L32-F79 HydrophobicContact CD2-CE1 3.81Å; L32-F79 HydrophobicContact CD2-CG 4.23Å; L32-F79 HydrophobicContact CG-CD1 3.88Å; L32-F79 HydrophobicContact CG-CE1 3.99Å; L32-V117 HydrophobicContact CD1-CG2 4.27Å
33	C	97.6	Very high	96.8	Very high	33 Å²	33	53.3 Å²	53.3	22%	0.223	29%	0.286	C	S	.	.			trans	-77.3	160.1	165.5	-72.4	0	0	0	0	111.5	N18 M36	N18-C33 PolarHBondContact ND2-O 3.06Å; C33-M36 HydrophobicContact CB-CG 3.81Å; C33-M36 WeakPolarHBondContact O-CB 3.25Å; C33-M36 WeakPolarHBondContact O-CG 3.39Å
34	P	97.4	Very high	96.6	Very high	66 Å²	66	53.4 Å²	53.4	43%	0.429	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	140.6	168.2	-29.2	38.1	0	0	0	112.7	N18 I19 S21 M36	N18-P34 WeakPolarHBondContact ND2-CA 3.39Å; I19-P34 WeakPolarHBondContact O-CB 3.2Å; S21-P34 WeakPolarHBondContact OG-CD 3.49Å; P34-M36 VanDerWaalsContact C-N 3.28Å; P34-M36 PolarHBondContact O-N 2.82Å
35	G	96.8	Very high	96.5	Very high	24 Å²	24	57.1 Å²	57.1	25%	0.247	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	3.4	174.2	0	0	0	0	0	116.1	K17 N18	K17-G35 WeakPolarHBondContact CD-O 3.36Å; K17-G35 PolarHBondContact NZ-O 2.84Å; N18-G35 PolarHBondContact O-N 3.02Å; N18-G35 PolarHBondContact OD1-N 3.3Å
36	M	97.4	Very high	96.3	Very high	76 Å²	76	54.1 Å²	54.1	37%	0.374	29%	0.288	S	S	.	.	S	Bend	trans	-94.5	-7.8	-174.2	-60.9	-51.3	-61.4	0	0	114.3	N18 L32 C33 P34 S78	N18-M36 PolarHBondContact OD1-N 2.9Å; L32-M36 HydrophobicContact CD2-CB 4.22Å; C33-M36 HydrophobicContact CB-CG 3.81Å; C33-M36 WeakPolarHBondContact O-CB 3.25Å; C33-M36 WeakPolarHBondContact O-CG 3.39Å; P34-M36 VanDerWaalsContact C-N 3.28Å; P34-M36 PolarHBondContact O-N 2.82Å; M36-S78 WeakPolarHBondContact CE-OG 3.42Å
37	A	97.6	Very high	96.2	Very high	2 Å²	2	46.6 Å²	46.6	2%	0.017	26%	0.26	C	S	.	.			trans	-137.1	155.2	177.6	0	0	0	0	0	111.4	K17 N18 L32 W71 L72 V73	K17-A37 CarbonylContact C-O 3.52Å; K17-A37 WeakPolarHBondContact CA-O 3.26Å; K17-A37 WeakPolarHBondContact CB-O 3.36Å; N18-A37 PolarHBondContact N-O 2.85Å; N18-A37 PolarHBondContact OD1-N 2.76Å; N18-A37 PolarHBondContact OD1-O 2.78Å; L32-A37 HydrophobicContact CD1-CB 4.01Å; A37-W71 HydrophobicContact CB-CB 3.72Å; A37-W71 HydrophobicContact CB-CD2 4.37Å; A37-W71 HydrophobicContact CB-CE3 4.21Å; A37-W71 HydrophobicContact CB-CG 4.2Å; A37-L72 WeakPolarHBondContact CA-O 3.46Å; A37-V73 HydrophobicContact CB-CG2 3.75Å
38	V	97.4	Very high	95.9	Very high	63 Å²	63	44.9 Å²	44.9	38%	0.382	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	140.8	176.2	-179.3	0	0	0	0	109.1	G16 K17 A40 L72	G16-V38 CarbonylContact O-C 3.52Å; G16-V38 WeakPolarHBondContact O-CA 3.13Å; G16-V38 WeakPolarHBondContact O-CG1 3.45Å; K17-V38 HydrophobicContact CG-CG2 4.14Å; V38-A40 PolarHBondContact O-N 3Å; V38-L72 PolarHBondContact N-O 2.85Å; V38-L72 PolarHBondContact O-N 3.13Å
39	F	97.1	Very high	95.5	Very high	48 Å²	48	45.4 Å²	45.4	21%	0.211	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	134.5	175.6	-177.2	-104	0	0	0	110.6	V12 G16 E41 A69 W71 L119	V12-F39 HydrophobicContact CG1-CB 4.07Å; V12-F39 HydrophobicContact CG2-CB 3.97Å; V12-F39 HydrophobicContact CG2-CD2 4.12Å; V12-F39 HydrophobicContact CG2-CG 4.05Å; G16-F39 PolarHBondContact O-N 3.24Å; F39-E41 HydrophobicContact CD1-CG 4.5Å; F39-E41 HydrophobicContact CE1-CG 3.52Å; F39-E41 HydrophobicContact CZ-CG 3.82Å; F39-A69 HydrophobicContact CE2-CB 3.95Å; F39-A69 HydrophobicContact CZ-CB 4.15Å; F39-W71 HydrophobicContact CB-CE3 4.28Å; F39-W71 HydrophobicContact CB-CH2 4.49Å; F39-W71 HydrophobicContact CB-CZ3 3.73Å; F39-W71 HydrophobicContact CD2-CZ3 4.37Å; F39-L119 HydrophobicContact CD2-CD2 4.34Å; F39-L119 HydrophobicContact CE2-CD2 3.98Å
40	A	95.9	Very high	94.9	Very high	14 Å²	14	47.6 Å²	47.6	12%	0.116	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	133	179.6	0	0	0	0	0	111.4	V38 H70 L72 Y116	V38-A40 PolarHBondContact O-N 3Å; A40-H70 PolarHBondContact N-O 3.08Å; A40-H70 PolarHBondContact O-N 2.86Å; A40-L72 HydrophobicContact CB-CB 3.75Å; A40-L72 HydrophobicContact CB-CD2 4.45Å; A40-Y116 HydrophobicContact CB-CE1 4.46Å
41	E	95.3	Very high	93.9	Very high	127 Å²	127	50.4 Å²	50.4	59%	0.593	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	113	173.4	-65	-175.6	119.6	0	0	109.6	F39 T68	F39-E41 HydrophobicContact CD1-CG 4.5Å; F39-E41 HydrophobicContact CE1-CG 3.52Å; F39-E41 HydrophobicContact CZ-CG 3.82Å; E41-T68 CarbonylContact C-O 3.57Å; E41-T68 VanDerWaalsContact CA-O 3.25Å; E41-T68 WeakPolarHBondContact CA-O 3.46Å
42	N	92.9	Very high	92.9	Very high	64 Å²	64	53.8 Å²	53.8	34%	0.342	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	135.4	176.7	-65.9	-88.9	0	0	0	108.6	L44 T68 H70 Y116	N42-L44 HydrophobicContact CB-CD1 4.39Å; N42-L44 HydrophobicContact CB-CG 4.14Å; N42-L44 PolarHBondContact O-N 2.84Å; N42-T68 PolarHBondContact N-O 2.95Å; N42-T68 CarbonylContact O-C 3.51Å; N42-T68 WeakPolarHBondContact O-CA 3.38Å; N42-H70 PolarHBondContact O-CE1 3.22Å; N42-H70 PolarHBondContact O-ND1 3.04Å; N42-Y116 HydrophobicContact CB-CE1 4.43Å; N42-Y116 WeakPolarHBondContact ND2-CE1 3.4Å
43	E	95.3	Very high	91.5	Very high	159 Å²	159	58.3 Å²	58.3	74%	0.743	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	104.4	173.8	-70	-176.2	131.6	0	0	110	T66 L67 T68	E43-T66 HydrophobicContact CB-CG2 4.06Å; E43-L67 WeakPolarHBondContact CA-O 3.32Å; E43-T68 HydrophobicContact CG-CG2 4.06Å
44	L	94.4	Very high	90.2	Very high	21 Å²	21	59.7 Å²	59.7	11%	0.11	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	124.8	180	-61.3	176.8	0	0	0	109.9	N42 L46 L67 W106 Y116	N42-L44 HydrophobicContact CB-CD1 4.39Å; N42-L44 HydrophobicContact CB-CG 4.14Å; N42-L44 PolarHBondContact O-N 2.84Å; L44-L46 HydrophobicContact CB-CD1 3.97Å; L44-L46 PolarHBondContact O-N 2.88Å; L44-L67 PolarHBondContact N-O 3.38Å; L44-L67 PolarHBondContact O-N 3.15Å; L44-W106 HydrophobicContact CD1-CB 4.38Å; L44-W106 HydrophobicContact CD1-CD2 4.42Å; L44-W106 HydrophobicContact CD1-CE3 4.17Å; L44-W106 HydrophobicContact CD2-CD2 4.24Å; L44-W106 HydrophobicContact CD2-CE3 4.16Å; L44-W106 HydrophobicContact CD2-CH2 4.43Å; L44-W106 HydrophobicContact CD2-CZ3 4.25Å; L44-Y116 HydrophobicContact CD1-CD1 3.88Å; L44-Y116 HydrophobicContact CD1-CD2 3.84Å; L44-Y116 HydrophobicContact CD1-CE1 4.46Å; L44-Y116 HydrophobicContact CD1-CE2 4.41Å; L44-Y116 HydrophobicContact CD1-CG 3.5Å
45	F	93.9	Very high	88.8	Confident	78 Å²	78	57 Å²	57	34%	0.342	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	119.3	173.5	179.8	-98.1	0	0	0	110.4	P47 V62 D65	F45-P47 HydrophobicContact CE1-CG 4.02Å; F45-V62 HydrophobicContact CE1-CB 4.29Å; F45-V62 HydrophobicContact CE1-CG2 4.27Å; F45-V62 HydrophobicContact CZ-CB 4.43Å; F45-V62 WeakPolarHBondContact CZ-O 3.42Å; F45-D65 WeakPolarHBondContact CA-O 3.4Å
46	L	93.2	Very high	87	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	119	172.6	-85.7	73.8	0	0	0	109.2	L44 G64 D65 L67 P103 W106 A118 R121	L44-L46 HydrophobicContact CB-CD1 3.97Å; L44-L46 PolarHBondContact O-N 2.88Å; L46-G64 WeakPolarHBondContact O-CA 3.37Å; L46-D65 PolarHBondContact N-O 2.77Å; L46-D65 PolarHBondContact O-N 2.91Å; L46-L67 HydrophobicContact CB-CD1 4.31Å; L46-L67 HydrophobicContact CD2-CD1 4.23Å; L46-P103 HydrophobicContact CB-CG 4.19Å; L46-P103 HydrophobicContact CD2-CB 4.37Å; L46-P103 HydrophobicContact CG-CG 4.43Å; L46-W106 HydrophobicContact CD1-CB 4.12Å; L46-A118 HydrophobicContact CD2-CB 3.79Å; L46-R121 HydrophobicContact CD2-CG 4.23Å; L46-R121 PolarHBondContact O-NH2 2.83Å
47	P	92.2	Very high	85	Confident	3 Å²	3	62.1 Å²	62.1	2%	0.019	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.4	153.3	170.5	-24.5	30.4	0	0	0	112.5	F45 M49 V62 D63 Y93 P103 R121	F45-P47 HydrophobicContact CE1-CG 4.02Å; P47-M49 PolarHBondContact O-N 3.38Å; P47-V62 HydrophobicContact CB-CG1 4.22Å; P47-V62 HydrophobicContact CG-CG1 4.33Å; P47-D63 CarbonylContact C-O 3.58Å; P47-D63 WeakPolarHBondContact CA-O 3.44Å; P47-Y93 WeakPolarHBondContact CD-OH 3.47Å; P47-Y93 HydrophobicContact CG-CE1 4.09Å; P47-Y93 HydrophobicContact CG-CE2 4.24Å; P47-P103 HydrophobicContact CB-CG 4.36Å; P47-P103 WeakPolarHBondContact O-CD 3.41Å; P47-P103 WeakPolarHBondContact O-CG 3.42Å; P47-R121 PolarHBondContact O-NH2 2.78Å
48	S	90.6	Very high	82.9	Confident	30 Å²	30	65.1 Å²	65.1	21%	0.21	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-55.3	135.7	177	-71.1	0	0	0	0	111.4	R50 D63 G64	S48-R50 PolarHBondContact O-N 3.13Å; S48-R50 PolarHBondContact O-NH1 3.35Å; S48-R50 VanDerWaalsContact O-NH1 3.08Å; S48-D63 WeakPolarHBondContact CB-OD2 3.19Å; S48-D63 PolarHBondContact N-O 2.77Å; S48-D63 PolarHBondContact OG-O 2.86Å; S48-D63 PolarHBondContact OG-OD2 2.96Å; S48-G64 PolarHBondContact OG-N 3.11Å
49	M	88.1	Confident	80.7	Confident	55 Å²	55	72 Å²	72	27%	0.271	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-57.4	126.3	-177.9	-76.8	-174.8	-74.6	0	0	111.5	Q25 P47 I101 G102 R121	Q25-M49 HydrophobicContact CG-SD 4.45Å; Q25-M49 PolarHBondContact NE2-SD 3.38Å; Q25-M49 VanDerWaalsContact NE2-SD 3.36Å; P47-M49 PolarHBondContact O-N 3.38Å; M49-I101 HydrophobicContact CB-CG2 4.37Å; M49-G102 CarbonylContact C-O 3.5Å; M49-G102 VanDerWaalsContact CA-O 3.3Å; M49-G102 WeakPolarHBondContact CA-O 3.41Å; M49-R121 HydrophobicContact SD-CB 4.46Å
50	R	85.1	Confident	78.7	Confident	54 Å²	54	72.1 Å²	72.1	20%	0.204	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	174.8	-179.8	59.6	-168.4	-177.4	-98.4	12.6	110.4	S48 S54 L55 T58 G102	S48-R50 PolarHBondContact O-N 3.13Å; S48-R50 PolarHBondContact O-NH1 3.35Å; S48-R50 VanDerWaalsContact O-NH1 3.08Å; R50-S54 PolarHBondContact NE-O 3.25Å; R50-L55 HydrophobicContact CG-CD2 3.86Å; R50-L55 HydrophobicContact CG-CG 3.9Å; R50-T58 PolarHBondContact NH2-OG1 3.09Å; R50-G102 CarbonylContact C-O 3.33Å; R50-G102 PolarHBondContact N-O 2.82Å; R50-G102 PolarHBondContact O-N 3.47Å
51	K	78.4	Confident	76.9	Confident	141 Å²	141	77.4 Å²	77.4	61%	0.613	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	147.3	173.8	-68.6	-174.3	178.8	-176.9	0	110.4	S53 S54	K51-S53 PolarHBondContact O-N 3Å; K51-S53 VanDerWaalsContact O-N 3.12Å; K51-S54 PolarHBondContact O-N 2.91Å
52	K	75.6	Confident	75.9	Confident	71 Å²	71	74.1 Å²	74.1	31%	0.309	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-46.4	-42.3	179.3	-171.5	-174.8	-164	170.4	0	114.6	S54 L55 F84 I95 E100	K52-S54 PolarHBondContact O-N 3.29Å; K52-L55 PolarHBondContact O-N 2.93Å; K52-L55 VanDerWaalsContact O-N 3.1Å; K52-F84 VanDerWaalsContact CE-O 3.3Å; K52-F84 WeakPolarHBondContact CE-O 3.37Å; K52-F84 PolarHBondContact NZ-O 2.85Å; K52-I95 HydrophobicContact CB-CD1 3.83Å; K52-I95 HydrophobicContact CD-CD1 3.45Å; K52-I95 VanDerWaalsContact CD-CD1 3.45Å; K52-I95 HydrophobicContact CG-CD1 3.68Å; K52-E100 HydrophobicContact CB-CB 4.24Å; K52-E100 PolarHBondContact N-O 2.9Å
53	S	69.3	Low	75.5	Confident	95 Å²	95	76.9 Å²	76.9	66%	0.664	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-62	-23.1	-179.3	54.3	0	0	0	0	113.9	K51	K51-S53 PolarHBondContact O-N 3Å; K51-S53 VanDerWaalsContact O-N 3.12Å
54	S	70.4	Confident	75.3	Confident	62 Å²	62	70.3 Å²	70.3	43%	0.434	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-93.2	-4.5	179.1	-51.5	0	0	0	0	113.3	R50 K51 K52	R50-S54 PolarHBondContact NE-O 3.25Å; K51-S54 PolarHBondContact O-N 2.91Å; K52-S54 PolarHBondContact O-N 3.29Å
55	L	67	Low	75.2	Confident	11 Å²	11	73 Å²	73	6%	0.058	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-25.8	-179.2	-75.6	163.1	0	0	0	113.1	R50 K52 N57 T85 I95	R50-L55 HydrophobicContact CG-CD2 3.86Å; R50-L55 HydrophobicContact CG-CG 3.9Å; K52-L55 PolarHBondContact O-N 2.93Å; K52-L55 VanDerWaalsContact O-N 3.1Å; L55-N57 PolarHBondContact O-N 3.44Å; L55-T85 HydrophobicContact CB-CG2 4.48Å; L55-T85 HydrophobicContact CD1-CG2 3.69Å; L55-I95 HydrophobicContact CD1-CG2 4.01Å
56	S	60.6	Low	75.2	Confident	70 Å²	70	73.5 Å²	73.5	49%	0.49	43%	0.426	S	S	.	.	S	Bend	trans	-85.8	1.5	-170.4	52.5	0	0	0	0	115.9
57	N	55.5	Low	75.3	Confident	137 Å²	137	74.3 Å²	74.3	73%	0.733	43%	0.43	S	S	*	.			trans	-126.3	23.6	-161.1	-134.8	64.6	0	0	0	115.6	L55	L55-N57 PolarHBondContact O-N 3.44Å
58	T	53.4	Low	75.5	Confident	65 Å²	65	77.2 Å²	77.2	40%	0.399	45%	0.448	S	S	.	.			trans	-104.5	87.7	-170.5	-42.3	0	0	0	0	112.6	R50 G60 V62	R50-T58 PolarHBondContact NH2-OG1 3.09Å; T58-G60 VanDerWaalsContact C-N 3.33Å; T58-G60 PolarHBondContact O-N 2.84Å; T58-V62 HydrophobicContact CG2-CB 4.32Å; T58-V62 HydrophobicContact CG2-CG1 3.58Å
59	E	50.3	Low	75.7	Confident	207 Å²	207	76.2 Å²	76.2	97%	0.967	44%	0.441	S	S	*	.			trans	-89.4	68.7	160.2	-62.5	-134.6	106.6	0	0	109.3
60	G	55.8	Low	76.2	Confident	50 Å²	50	73.6 Å²	73.6	52%	0.515	43%	0.428	S	S	.	.	S	Bend	trans	-175.6	178.3	-178.5	0	0	0	0	0	111.7	T58 V62	T58-G60 VanDerWaalsContact C-N 3.33Å; T58-G60 PolarHBondContact O-N 2.84Å; G60-V62 PolarHBondContact O-N 2.87Å
61	S	57.3	Low	76.8	Confident	126 Å²	126	71 Å²	71	88%	0.881	42%	0.419	S	S	*	.			trans	-61.9	102.3	173.5	60.2	0	0	0	0	109.3	D63	S61-D63 PolarHBondContact O-N 2.84Å
62	V	73.9	Confident	77.7	Confident	57 Å²	57	66.4 Å²	66.4	35%	0.345	40%	0.4	S	S	.	.			trans	-66.1	115	174.5	-119.4	0	0	0	0	107.5	F45 P47 T58 G60	F45-V62 HydrophobicContact CE1-CB 4.29Å; F45-V62 HydrophobicContact CE1-CG2 4.27Å; F45-V62 HydrophobicContact CZ-CB 4.43Å; F45-V62 WeakPolarHBondContact CZ-O 3.42Å; P47-V62 HydrophobicContact CB-CG1 4.22Å; P47-V62 HydrophobicContact CG-CG1 4.33Å; T58-V62 HydrophobicContact CG2-CB 4.32Å; T58-V62 HydrophobicContact CG2-CG1 3.58Å; G60-V62 PolarHBondContact O-N 2.87Å
63	D	85.9	Confident	78.8	Confident	122 Å²	122	63 Å²	63	65%	0.652	39%	0.386	S	S	*	.			trans	-62.1	137.8	166.7	-174.7	66.1	0	0	0	109.3	P47 S48 S61	P47-D63 CarbonylContact C-O 3.58Å; P47-D63 WeakPolarHBondContact CA-O 3.44Å; S48-D63 WeakPolarHBondContact CB-OD2 3.19Å; S48-D63 PolarHBondContact N-O 2.77Å; S48-D63 PolarHBondContact OG-O 2.86Å; S48-D63 PolarHBondContact OG-OD2 2.96Å; S61-D63 PolarHBondContact O-N 2.84Å
64	G	89.6	Confident	80	Confident	22 Å²	22	63.8 Å²	63.8	23%	0.227	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.3	-178.4	-175.3	0	0	0	0	0	113.4	L46 S48	L46-G64 WeakPolarHBondContact O-CA 3.37Å; S48-G64 PolarHBondContact OG-N 3.11Å
65	D	92.4	Very high	81	Confident	77 Å²	77	64 Å²	64	41%	0.412	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	142.7	-171.6	-54.5	-71.6	0	0	0	110.1	F45 L46 L67 R121	F45-D65 WeakPolarHBondContact CA-O 3.4Å; L46-D65 PolarHBondContact N-O 2.77Å; L46-D65 PolarHBondContact O-N 2.91Å; D65-L67 HydrophobicContact CB-CD2 3.82Å; D65-L67 HydrophobicContact CB-CG 4.22Å; D65-R121 IonicContact OD2-CZ 3.47Å; D65-R121 IonicContact OD2-NH1 3.7Å; D65-R121 IonicContact OD2-NH2 2.71Å; D65-R121 PolarHBondContact OD2-NH2 3.42Å
66	T	93.9	Very high	82.1	Confident	88 Å²	88	68.2 Å²	68.2	54%	0.54	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	110.9	165	-57.3	0	0	0	0	107.6	E43	E43-T66 HydrophobicContact CB-CG2 4.06Å
67	L	95.2	Very high	83.6	Confident	17 Å²	17	73 Å²	73	9%	0.089	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	150.2	-178.6	-56.2	177.6	0	0	0	108.8	E43 L44 L46 D65 H70 A118 D120 R121	E43-L67 WeakPolarHBondContact CA-O 3.32Å; L44-L67 PolarHBondContact N-O 3.38Å; L44-L67 PolarHBondContact O-N 3.15Å; L46-L67 HydrophobicContact CB-CD1 4.31Å; L46-L67 HydrophobicContact CD2-CD1 4.23Å; D65-L67 HydrophobicContact CB-CD2 3.82Å; D65-L67 HydrophobicContact CB-CG 4.22Å; L67-H70 PolarHBondContact O-CE1 2.93Å; L67-H70 VanDerWaalsContact O-CE1 3.29Å; L67-A118 HydrophobicContact CD1-CB 3.47Å; L67-A118 VanDerWaalsContact CD1-CB 3.47Å; L67-D120 HydrophobicContact CD1-CB 4.46Å; L67-D120 HydrophobicContact CD2-CB 4.3Å; L67-R121 HydrophobicContact CD1-CG 3.88Å
68	T	96.3	Very high	85.4	Confident	64 Å²	64	67.3 Å²	67.3	39%	0.393	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	-35.8	-177.3	52.4	0	0	0	0	112.1	E41 N42 E43 H70	E41-T68 CarbonylContact C-O 3.57Å; E41-T68 VanDerWaalsContact CA-O 3.25Å; E41-T68 WeakPolarHBondContact CA-O 3.46Å; N42-T68 PolarHBondContact N-O 2.95Å; N42-T68 CarbonylContact O-C 3.51Å; N42-T68 WeakPolarHBondContact O-CA 3.38Å; E43-T68 HydrophobicContact CG-CG2 4.06Å; T68-H70 PolarHBondContact O-ND1 3.5Å; T68-H70 VanDerWaalsContact O-ND1 3.08Å
69	A	96.1	Very high	87.5	Confident	9 Å²	9	65.1 Å²	65.1	7%	0.074	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	121.2	-173.8	0	0	0	0	0	112.6	F39 L119	F39-A69 HydrophobicContact CE2-CB 3.95Å; F39-A69 HydrophobicContact CZ-CB 4.15Å; A69-L119 HydrophobicContact CB-CB 4.43Å; A69-L119 HydrophobicContact CB-CD2 4.31Å; A69-L119 PolarHBondContact O-N 2.61Å; A69-L119 VanDerWaalsContact O-N 3.09Å
70	H	97.6	Very high	89.8	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	154.1	-176.6	-56.6	84.2	0	0	0	113	A40 N42 L67 T68 Y116 V117	A40-H70 PolarHBondContact N-O 3.08Å; A40-H70 PolarHBondContact O-N 2.86Å; N42-H70 PolarHBondContact O-CE1 3.22Å; N42-H70 PolarHBondContact O-ND1 3.04Å; L67-H70 PolarHBondContact O-CE1 2.93Å; L67-H70 VanDerWaalsContact O-CE1 3.29Å; T68-H70 PolarHBondContact O-ND1 3.5Å; T68-H70 VanDerWaalsContact O-ND1 3.08Å; H70-Y116 HydrophobicContact CB-CD1 4.02Å; H70-V117 CarbonylContact C-O 3.52Å; H70-V117 VanDerWaalsContact CA-O 3.26Å; H70-V117 WeakPolarHBondContact CA-O 3.38Å
71	W	98.1	Very high	91.6	Very high	1 Å²	1	60.8 Å²	60.8	0%	0.004	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	114	158	-69.2	129.5	0	0	0	109.2	L11 V12 N18 V22 L32 A37 F39 Y116 V117 L119 H124	L11-W71 HydrophobicContact CB-CH2 4.49Å; L11-W71 HydrophobicContact CB-CZ2 4.21Å; L11-W71 WeakPolarHBondContact O-CH2 3.35Å; V12-W71 HydrophobicContact CG2-CH2 3.79Å; V12-W71 HydrophobicContact CG2-CZ3 4.31Å; N18-W71 VanDerWaalsContact CA-CH2 3.41Å; N18-W71 HydrophobicContact CB-CD2 3.91Å; N18-W71 HydrophobicContact CB-CE3 3.85Å; N18-W71 HydrophobicContact CB-CH2 3.52Å; N18-W71 HydrophobicContact CB-CZ2 3.53Å; N18-W71 HydrophobicContact CB-CZ3 3.66Å; V22-W71 HydrophobicContact CG2-CG 4.43Å; L32-W71 HydrophobicContact CD1-CB 4.47Å; A37-W71 HydrophobicContact CB-CB 3.72Å; A37-W71 HydrophobicContact CB-CD2 4.37Å; A37-W71 HydrophobicContact CB-CE3 4.21Å; A37-W71 HydrophobicContact CB-CG 4.2Å; F39-W71 HydrophobicContact CB-CE3 4.28Å; F39-W71 HydrophobicContact CB-CH2 4.49Å; F39-W71 HydrophobicContact CB-CZ3 3.73Å; F39-W71 HydrophobicContact CD2-CZ3 4.37Å; W71-Y116 CarbonylContact O-C 3.54Å; W71-Y116 WeakPolarHBondContact O-CA 3.26Å; W71-V117 HydrophobicContact CB-CB 4.2Å; W71-V117 PolarHBondContact N-O 3.1Å; W71-V117 PolarHBondContact O-N 3.18Å; W71-L119 HydrophobicContact CD2-CD1 4.06Å; W71-L119 HydrophobicContact CG-CD1 3.91Å; W71-H124 AromaticContact CE2-NE2 3.98Å; W71-H124 AromaticContact NE1-CD2 3.54Å; W71-H124 AromaticContact NE1-NE2 3.11Å; W71-H124 PolarHBondContact NE1-NE2 2.94Å; W71-H124 VanDerWaalsContact NE1-NE2 3.11Å
72	L	97.9	Very high	93.5	Very high	43 Å²	43	56.1 Å²	56.1	23%	0.225	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	122.4	170.9	176.6	61.1	0	0	0	109.6	A37 V38 A40 K114 F115 Y116	A37-L72 WeakPolarHBondContact CA-O 3.46Å; V38-L72 PolarHBondContact N-O 2.85Å; V38-L72 PolarHBondContact O-N 3.13Å; A40-L72 HydrophobicContact CB-CB 3.75Å; A40-L72 HydrophobicContact CB-CD2 4.45Å; L72-K114 HydrophobicContact CD1-CB 3.81Å; L72-K114 HydrophobicContact CD1-CD 4.19Å; L72-K114 HydrophobicContact CD1-CG 3.92Å; L72-F115 WeakPolarHBondContact CA-O 3.46Å; L72-Y116 HydrophobicContact CB-CE1 4.49Å; L72-Y116 HydrophobicContact CD1-CD1 4.12Å; L72-Y116 HydrophobicContact CD1-CE1 3.79Å; L72-Y116 HydrophobicContact CD1-CE2 4.34Å
73	V	97.8	Very high	94.5	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	132.3	173.6	-175.3	0	0	0	0	107.5	L32 A37 D75 F79 F115	L32-V73 HydrophobicContact CD1-CG2 3.73Å; L32-V73 HydrophobicContact CD2-CG1 4.43Å; L32-V73 HydrophobicContact CD2-CG2 3.78Å; L32-V73 HydrophobicContact CG-CG2 4.39Å; A37-V73 HydrophobicContact CB-CG2 3.75Å; V73-D75 WeakPolarHBondContact CG1-O 3.42Å; V73-F79 HydrophobicContact CB-CE1 4.49Å; V73-F79 HydrophobicContact CB-CE2 4.05Å; V73-F79 HydrophobicContact CB-CZ 3.78Å; V73-F79 HydrophobicContact CG1-CD2 4.38Å; V73-F79 HydrophobicContact CG1-CE2 3.87Å; V73-F79 HydrophobicContact CG1-CZ 4.02Å; V73-F79 HydrophobicContact CG2-CE1 3.94Å; V73-F79 HydrophobicContact CG2-CE2 4.38Å; V73-F79 HydrophobicContact CG2-CZ 3.68Å; V73-F115 HydrophobicContact CB-CB 4.24Å; V73-F115 PolarHBondContact N-O 2.55Å; V73-F115 WeakPolarHBondContact O-CD2 3.41Å; V73-F115 PolarHBondContact O-N 2.86Å
74	D	95.1	Very high	94.9	Very high	111 Å²	111	51.1 Å²	51.1	59%	0.594	27%	0.274	S	S	*	.	S	Bend	trans	-94.1	-17.3	-174.7	64.6	-16.7	0	0	0	114.2	K113	D74-K113 WeakPolarHBondContact CA-O 3.37Å; D74-K113 WeakPolarHBondContact O-CA 3.46Å
75	D	91.9	Very high	95	Very high	68 Å²	68	50.6 Å²	50.6	36%	0.364	27%	0.266	S	S	.	.			trans	-136	134.9	-179.9	-168.8	6.7	0	0	0	112.1	V73 F77 S78	V73-D75 WeakPolarHBondContact CG1-O 3.42Å; D75-F77 PolarHBondContact O-N 3.35Å; D75-F77 VanDerWaalsContact OD1-CD2 3.26Å; D75-F77 WeakPolarHBondContact OD1-CD2 3.41Å; D75-F77 PolarHBondContact OD1-N 3.28Å; D75-S78 WeakPolarHBondContact O-CB 3.41Å; D75-S78 PolarHBondContact O-N 2.86Å; D75-S78 VanDerWaalsContact O-N 3.13Å
76	M	90.3	Very high	94.8	Very high	98 Å²	98	54.5 Å²	54.5	48%	0.483	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-65.4	-24.3	179	72	179.2	71.9	0	0	112.6	S78 F79 F115	M76-S78 PolarHBondContact O-N 3.1Å; M76-F79 WeakPolarHBondContact O-CD2 3.43Å; M76-F79 PolarHBondContact O-N 3.05Å; M76-F115 HydrophobicContact CB-CE2 4.28Å; M76-F115 HydrophobicContact CB-CZ 4.04Å; M76-F115 HydrophobicContact CE-CZ 4.37Å
77	F	90.9	Very high	94.5	Very high	172 Å²	172	54.3 Å²	54.3	75%	0.754	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-74.3	-10.5	177.8	-62	-70.5	0	0	0	113.3	D75 F79	D75-F77 PolarHBondContact O-N 3.35Å; D75-F77 VanDerWaalsContact OD1-CD2 3.26Å; D75-F77 WeakPolarHBondContact OD1-CD2 3.41Å; D75-F77 PolarHBondContact OD1-N 3.28Å; F77-F79 VanDerWaalsContact C-N 3.26Å; F77-F79 PolarHBondContact O-N 2.94Å
78	S	94.9	Very high	94	Very high	17 Å²	17	56.8 Å²	56.8	12%	0.119	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-75.9	-14.3	173.7	-63.8	0	0	0	0	113.1	L32 M36 D75 M76	L32-S78 WeakPolarHBondContact CD2-O 3.49Å; M36-S78 WeakPolarHBondContact CE-OG 3.42Å; D75-S78 WeakPolarHBondContact O-CB 3.41Å; D75-S78 PolarHBondContact O-N 2.86Å; D75-S78 VanDerWaalsContact O-N 3.13Å; M76-S78 PolarHBondContact O-N 3.1Å
79	F	97.3	Very high	93.6	Very high	18 Å²	18	57.1 Å²	57.1	8%	0.079	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-81.1	140.3	176.8	-69.4	-73.9	0	0	0	112.1	V31 L32 V73 M76 F77 V82 L94 F115 V117	V31-F79 HydrophobicContact CG1-CD1 3.9Å; V31-F79 HydrophobicContact CG1-CE1 4.15Å; V31-F79 WeakPolarHBondContact O-CA 3.49Å; L32-F79 HydrophobicContact CD1-CE1 4.11Å; L32-F79 HydrophobicContact CD2-CD1 3.57Å; L32-F79 HydrophobicContact CD2-CE1 3.81Å; L32-F79 HydrophobicContact CD2-CG 4.23Å; L32-F79 HydrophobicContact CG-CD1 3.88Å; L32-F79 HydrophobicContact CG-CE1 3.99Å; V73-F79 HydrophobicContact CB-CE1 4.49Å; V73-F79 HydrophobicContact CB-CE2 4.05Å; V73-F79 HydrophobicContact CB-CZ 3.78Å; V73-F79 HydrophobicContact CG1-CD2 4.38Å; V73-F79 HydrophobicContact CG1-CE2 3.87Å; V73-F79 HydrophobicContact CG1-CZ 4.02Å; V73-F79 HydrophobicContact CG2-CE1 3.94Å; V73-F79 HydrophobicContact CG2-CE2 4.38Å; V73-F79 HydrophobicContact CG2-CZ 3.68Å; M76-F79 WeakPolarHBondContact O-CD2 3.43Å; M76-F79 PolarHBondContact O-N 3.05Å; F77-F79 VanDerWaalsContact C-N 3.26Å; F77-F79 PolarHBondContact O-N 2.94Å; F79-V82 HydrophobicContact CB-CB 3.99Å; F79-V82 HydrophobicContact CB-CG1 3.42Å; F79-V82 VanDerWaalsContact CB-CG1 3.42Å; F79-V82 HydrophobicContact CD1-CB 4.02Å; F79-V82 HydrophobicContact CD1-CG1 4.02Å; F79-V82 HydrophobicContact CD1-CG2 4.37Å; F79-V82 HydrophobicContact CD2-CG1 3.8Å; F79-V82 HydrophobicContact CG-CB 3.99Å; F79-V82 HydrophobicContact CG-CG1 3.48Å; F79-V82 VanDerWaalsContact CG-CG1 3.48Å; F79-L94 HydrophobicContact CE1-CD2 4.15Å; F79-L94 HydrophobicContact CE2-CD2 4.23Å; F79-L94 HydrophobicContact CZ-CD2 3.66Å; F79-F115 HydrophobicContact CE2-CB 3.8Å; F79-F115 HydrophobicContact CE2-CD1 4.47Å; F79-F115 HydrophobicContact CE2-CD2 4.46Å; F79-F115 HydrophobicContact CE2-CG 4.01Å; F79-F115 HydrophobicContact CZ-CB 3.83Å; F79-V117 HydrophobicContact CE1-CG2 3.63Å; F79-V117 HydrophobicContact CZ-CG2 4.03Å
80	E	97.2	Very high	93.3	Very high	107 Å²	107	62.3 Å²	62.3	50%	0.5	33%	0.327	S	S	.	.	S	Bend	trans	-84.5	-62.8	174.5	-65.9	-73.5	126.4	0	0	110.6	K30 V31	K30-E80 HydrophobicContact CD-CG 3.99Å; K30-E80 HydrophobicContact CG-CB 4.27Å; K30-E80 HydrophobicContact CG-CG 4.14Å; K30-E80 WeakPolarHBondContact O-CB 3.35Å; V31-E80 PolarHBondContact O-N 3.37Å
81	N	95	Very high	93	Very high	60 Å²	60	64.4 Å²	64.4	32%	0.321	34%	0.338	S	S	.	.	S	Bend	trans	-133.6	80.1	-177.6	-55.5	-80.5	0	0	0	111.5	S29 K30 A97	S29-N81 WeakPolarHBondContact OG-CB 2.91Å; K30-N81 VanDerWaalsContact O-CB 3.24Å; K30-N81 WeakPolarHBondContact O-CB 3.3Å; K30-N81 PolarHBondContact O-N 2.81Å; K30-N81 PolarHBondContact O-ND2 3.06Å; N81-A97 HydrophobicContact CB-CB 4.15Å
82	V	96.9	Very high	92.8	Very high	28 Å²	28	67 Å²	67	17%	0.17	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	140	176.9	78	0	0	0	0	111.7	F79 F84 L94	F79-V82 HydrophobicContact CB-CB 3.99Å; F79-V82 HydrophobicContact CB-CG1 3.42Å; F79-V82 VanDerWaalsContact CB-CG1 3.42Å; F79-V82 HydrophobicContact CD1-CB 4.02Å; F79-V82 HydrophobicContact CD1-CG1 4.02Å; F79-V82 HydrophobicContact CD1-CG2 4.37Å; F79-V82 HydrophobicContact CD2-CG1 3.8Å; F79-V82 HydrophobicContact CG-CB 3.99Å; F79-V82 HydrophobicContact CG-CG1 3.48Å; F79-V82 VanDerWaalsContact CG-CG1 3.48Å; V82-F84 HydrophobicContact CG1-CE2 3.88Å; V82-F84 HydrophobicContact CG1-CZ 4.26Å; V82-L94 HydrophobicContact CG2-CB 3.92Å; V82-L94 HydrophobicContact CG2-CD2 4.01Å; V82-L94 HydrophobicContact CG2-CG 3.97Å
83	G	95.3	Very high	92.7	Very high	13 Å²	13	65.9 Å²	65.9	13%	0.134	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	157.4	169.9	0	0	0	0	0	111.4	L94 I95	G83-L94 CarbonylContact O-C 3.57Å; G83-L94 WeakPolarHBondContact O-CA 3.49Å; G83-I95 PolarHBondContact N-O 3.17Å; G83-I95 WeakPolarHBondContact O-CG1 3.33Å; G83-I95 PolarHBondContact O-N 2.77Å
84	F	93.6	Very high	92.7	Very high	61 Å²	61	65.9 Å²	65.9	27%	0.268	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	143.9	172.7	-65.3	-93.7	0	0	0	110.7	K52 V82 K92 Y93 L94 F115	K52-F84 VanDerWaalsContact CE-O 3.3Å; K52-F84 WeakPolarHBondContact CE-O 3.37Å; K52-F84 PolarHBondContact NZ-O 2.85Å; V82-F84 HydrophobicContact CG1-CE2 3.88Å; V82-F84 HydrophobicContact CG1-CZ 4.26Å; F84-K92 HydrophobicContact CD1-CB 4.38Å; F84-K92 HydrophobicContact CD1-CD 4.36Å; F84-Y93 WeakPolarHBondContact CA-O 3.45Å; F84-L94 HydrophobicContact CD1-CD1 3.97Å; F84-L94 HydrophobicContact CD1-CG 4.19Å; F84-L94 HydrophobicContact CE1-CD1 3.65Å; F84-L94 HydrophobicContact CE1-CG 3.81Å; F84-L94 HydrophobicContact CZ-CG 4.37Å; F84-F115 AromaticContact CE1-CD1 3.89Å; F84-F115 HydrophobicContact CE1-CD1 3.89Å; F84-F115 AromaticContact CE1-CE1 3.89Å; F84-F115 HydrophobicContact CE1-CE1 3.89Å; F84-F115 HydrophobicContact CZ-CD1 4.12Å; F84-F115 HydrophobicContact CZ-CE1 4.03Å
85	T	91.3	Very high	92.7	Very high	10 Å²	10	60.7 Å²	60.7	6%	0.061	32%	0.315	C	S	.	.			trans	-77.3	174.4	170.1	66.5	0	0	0	0	111.7	L55 Y93 I95	L55-T85 HydrophobicContact CB-CG2 4.48Å; L55-T85 HydrophobicContact CD1-CG2 3.69Å; T85-Y93 PolarHBondContact N-O 2.79Å; T85-Y93 PolarHBondContact OG1-N 2.84Å; T85-Y93 VanDerWaalsContact OG1-N 3.1Å; T85-I95 HydrophobicContact CG2-CG2 3.73Å
86	K	88.3	Confident	93	Very high	160 Å²	160	57.4 Å²	57.4	70%	0.696	30%	0.297	S	S	*	.			trans	-63.5	158.9	158.9	-66.3	-176.4	179.9	179.2	0	109.9
87	D	88.1	Confident	93.3	Very high	84 Å²	84	54.8 Å²	54.8	45%	0.449	29%	0.291	S	S	.	.			trans	-71.9	132.1	-177.8	-51.3	-18.7	0	0	0	109.3	I91 K92 L109	D87-I91 WeakPolarHBondContact CA-O 3.48Å; D87-K92 WeakPolarHBondContact OD1-CE 3.49Å; D87-K92 WeakPolarHBondContact OD1-CG 3.49Å; D87-K92 IonicContact OD1-NZ 3Å; D87-K92 PolarHBondContact OD1-NZ 3.48Å; D87-L109 HydrophobicContact CB-CD1 4.14Å
88	V	84.6	Confident	93.5	Very high	68 Å²	68	51.6 Å²	51.6	41%	0.412	28%	0.282	S	S	.	.	B	Isolated β-bridge	trans	-113.4	94.9	171.2	-176.8	0	0	0	0	106.4	K90 I91 Y93	V88-K90 PolarHBondContact O-N 2.86Å; V88-I91 PolarHBondContact N-O 2.84Å; V88-I91 PolarHBondContact O-N 2.83Å; V88-I91 VanDerWaalsContact O-N 3.1Å; V88-Y93 HydrophobicContact CB-CE2 4.33Å; V88-Y93 HydrophobicContact CG2-CD2 4.49Å; V88-Y93 HydrophobicContact CG2-CE2 4.24Å
89	G	87.1	Confident	93.5	Very high	71 Å²	71	52.6 Å²	52.6	73%	0.732	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	-116.3	-167.3	0	0	0	0	0	110.8
90	K	90.3	Very high	93.4	Very high	118 Å²	118	56.4 Å²	56.4	51%	0.513	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	10.4	177.5	-62.1	-162.6	178.1	-164.2	0	114.2	V88 L109 D110	V88-K90 PolarHBondContact O-N 2.86Å; K90-L109 WeakPolarHBondContact O-CB 3.33Å; K90-L109 WeakPolarHBondContact O-CG 3.43Å; K90-L109 PolarHBondContact O-N 3Å; K90-D110 WeakPolarHBondContact CD-OD2 3.05Å; K90-D110 IonicContact NZ-OD1 2.85Å; K90-D110 PolarHBondContact NZ-OD1 2.63Å; K90-D110 IonicContact NZ-OD2 2.72Å; K90-D110 PolarHBondContact NZ-OD2 2.94Å
91	I	91.6	Very high	93.2	Very high	45 Å²	45	52.9 Å²	52.9	23%	0.231	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	132.4	-172.5	-61.4	167.6	0	0	0	109.4	D87 V88 Y93 W106 H107	D87-I91 WeakPolarHBondContact CA-O 3.48Å; V88-I91 PolarHBondContact N-O 2.84Å; V88-I91 PolarHBondContact O-N 2.83Å; V88-I91 VanDerWaalsContact O-N 3.1Å; I91-Y93 HydrophobicContact CG2-CD1 4.28Å; I91-Y93 HydrophobicContact CG2-CD2 4.34Å; I91-Y93 HydrophobicContact CG2-CE1 3.97Å; I91-Y93 HydrophobicContact CG2-CE2 4.02Å; I91-Y93 HydrophobicContact CG2-CG 4.46Å; I91-W106 HydrophobicContact CD1-CZ2 3.99Å; I91-W106 HydrophobicContact CG1-CZ2 3.68Å; I91-W106 HydrophobicContact CG2-CD2 4.36Å; I91-W106 HydrophobicContact CG2-CG 4.21Å; I91-W106 HydrophobicContact CG2-CZ2 4.46Å; I91-H107 WeakPolarHBondContact CA-O 3.43Å
92	K	93.8	Very high	93.1	Very high	55 Å²	55	50 Å²	50	24%	0.239	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130.8	160.3	-82.2	-179.1	179.4	-66.1	0	108.8	F84 D87 H107 L109	F84-K92 HydrophobicContact CD1-CB 4.38Å; F84-K92 HydrophobicContact CD1-CD 4.36Å; D87-K92 WeakPolarHBondContact OD1-CE 3.49Å; D87-K92 WeakPolarHBondContact OD1-CG 3.49Å; D87-K92 IonicContact OD1-NZ 3Å; D87-K92 PolarHBondContact OD1-NZ 3.48Å; K92-H107 HydrophobicContact CB-CB 4.36Å; K92-H107 PolarHBondContact N-O 2.75Å; K92-H107 PolarHBondContact O-N 3.49Å; K92-L109 HydrophobicContact CD-CD2 3.76Å; K92-L109 HydrophobicContact CG-CD2 3.92Å
93	Y	95.5	Very high	93	Very high	19 Å²	19	48.7 Å²	48.7	8%	0.075	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	144.5	171.6	-66.6	-73.3	0	0	0	110.6	P47 F84 T85 V88 I91 P103 W106	P47-Y93 WeakPolarHBondContact CD-OH 3.47Å; P47-Y93 HydrophobicContact CG-CE1 4.09Å; P47-Y93 HydrophobicContact CG-CE2 4.24Å; F84-Y93 WeakPolarHBondContact CA-O 3.45Å; T85-Y93 PolarHBondContact N-O 2.79Å; T85-Y93 PolarHBondContact OG1-N 2.84Å; T85-Y93 VanDerWaalsContact OG1-N 3.1Å; V88-Y93 HydrophobicContact CB-CE2 4.33Å; V88-Y93 HydrophobicContact CG2-CD2 4.49Å; V88-Y93 HydrophobicContact CG2-CE2 4.24Å; I91-Y93 HydrophobicContact CG2-CD1 4.28Å; I91-Y93 HydrophobicContact CG2-CD2 4.34Å; I91-Y93 HydrophobicContact CG2-CE1 3.97Å; I91-Y93 HydrophobicContact CG2-CE2 4.02Å; I91-Y93 HydrophobicContact CG2-CG 4.46Å; Y93-P103 HydrophobicContact CD1-CB 3.71Å; Y93-P103 HydrophobicContact CD1-CG 4.22Å; Y93-P103 HydrophobicContact CG-CB 4.02Å; Y93-W106 AromaticContact CE1-CD1 3.72Å
94	L	96.9	Very high	93.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	138.8	172.9	-75.4	62.3	0	0	0	108.6	F79 V82 G83 F84 P103 I104 G105 H107 F115 V117	F79-L94 HydrophobicContact CE1-CD2 4.15Å; F79-L94 HydrophobicContact CE2-CD2 4.23Å; F79-L94 HydrophobicContact CZ-CD2 3.66Å; V82-L94 HydrophobicContact CG2-CB 3.92Å; V82-L94 HydrophobicContact CG2-CD2 4.01Å; V82-L94 HydrophobicContact CG2-CG 3.97Å; G83-L94 CarbonylContact O-C 3.57Å; G83-L94 WeakPolarHBondContact O-CA 3.49Å; F84-L94 HydrophobicContact CD1-CD1 3.97Å; F84-L94 HydrophobicContact CD1-CG 4.19Å; F84-L94 HydrophobicContact CE1-CD1 3.65Å; F84-L94 HydrophobicContact CE1-CG 3.81Å; F84-L94 HydrophobicContact CZ-CG 4.37Å; L94-P103 CarbonylContact O-C 3.51Å; L94-P103 VanDerWaalsContact O-CA 3.28Å; L94-P103 WeakPolarHBondContact O-CA 3.28Å; L94-I104 HydrophobicContact CB-CG1 4.28Å; L94-I104 PolarHBondContact O-N 3.33Å; L94-G105 PolarHBondContact N-O 3.42Å; L94-G105 PolarHBondContact O-N 2.71Å; L94-H107 HydrophobicContact CD1-CB 3.81Å; L94-F115 HydrophobicContact CD2-CB 4.33Å; L94-V117 HydrophobicContact CD2-CG2 4.22Å
95	I	96.9	Very high	93.3	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	164	178.1	63.6	173.2	0	0	0	109.3	K52 L55 G83 T85 A97 E100	K52-I95 HydrophobicContact CB-CD1 3.83Å; K52-I95 HydrophobicContact CD-CD1 3.45Å; K52-I95 VanDerWaalsContact CD-CD1 3.45Å; K52-I95 HydrophobicContact CG-CD1 3.68Å; L55-I95 HydrophobicContact CD1-CG2 4.01Å; G83-I95 PolarHBondContact N-O 3.17Å; G83-I95 WeakPolarHBondContact O-CG1 3.33Å; G83-I95 PolarHBondContact O-N 2.77Å; T85-I95 HydrophobicContact CG2-CG2 3.73Å; I95-A97 PolarHBondContact O-N 3.03Å; I95-E100 HydrophobicContact CD1-CB 4.4Å
96	C	97.3	Very high	93.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	133.2	168	175.9	0	0	0	0	110.3	C24 S29 D98 E100 I101	C24-C96 HydrophobicContact CB-CB 4.07Å; S29-C96 VanDerWaalsContact CB-SG 3.58Å; C96-D98 PolarHBondContact SG-N 2.93Å; C96-D98 VanDerWaalsContact SG-N 3.44Å; C96-E100 WeakPolarHBondContact O-CA 3.45Å; C96-E100 PolarHBondContact O-N 3.37Å; C96-E100 VanDerWaalsContact O-N 3.09Å; C96-I101 PolarHBondContact N-O 3.47Å; C96-I101 VanDerWaalsContact N-O 3.08Å
97	A	95.5	Very high	93.9	Very high	43 Å²	43	39.4 Å²	39.4	36%	0.355	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-33.5	177.9	0	0	0	0	0	113	N81 I95	N81-A97 HydrophobicContact CB-CB 4.15Å; I95-A97 PolarHBondContact O-N 3.03Å
98	D	95.4	Very high	94.2	Very high	105 Å²	105	36.6 Å²	36.6	56%	0.561	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-46.3	-172.8	-63.9	-26.1	0	0	0	113.3	S29 C96	S29-D98 WeakPolarHBondContact CB-OD2 3.32Å; S29-D98 PolarHBondContact OG-OD2 3.36Å; C96-D98 PolarHBondContact SG-N 2.93Å; C96-D98 VanDerWaalsContact SG-N 3.44Å
99	C	95.6	Very high	94.5	Very high	37 Å²	37	36.1 Å²	36.1	25%	0.25	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-6.6	-177.7	72	0	0	0	0	114	C27 I101	C27-C99 HydrophobicContact CB-CB 4.17Å; C99-I101 HydrophobicContact CB-CD1 4.46Å; C99-I101 HydrophobicContact CB-CG1 4.49Å; C99-I101 PolarHBondContact O-N 2.94Å
100	E	94.8	Very high	94.7	Very high	99 Å²	99	38 Å²	38	46%	0.463	20%	0.197	S	C	.	.			trans	55.1	21.5	-178.4	-55.9	-165.4	119.9	0	0	115.1	K52 I95 C96	K52-E100 HydrophobicContact CB-CB 4.24Å; K52-E100 PolarHBondContact N-O 2.9Å; I95-E100 HydrophobicContact CD1-CB 4.4Å; C96-E100 WeakPolarHBondContact O-CA 3.45Å; C96-E100 PolarHBondContact O-N 3.37Å; C96-E100 VanDerWaalsContact O-N 3.09Å
101	I	93.1	Very high	94.8	Very high	32 Å²	32	34.8 Å²	34.8	16%	0.164	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	134.8	173.4	-60.8	170.6	0	0	0	109.2	R26 M49 C96 C99	R26-I101 HydrophobicContact CB-CD1 4.02Å; R26-I101 HydrophobicContact CG-CB 4.24Å; R26-I101 HydrophobicContact CG-CD1 3.91Å; R26-I101 HydrophobicContact CG-CG2 3.97Å; M49-I101 HydrophobicContact CB-CG2 4.37Å; C96-I101 PolarHBondContact N-O 3.47Å; C96-I101 VanDerWaalsContact N-O 3.08Å; C99-I101 HydrophobicContact CB-CD1 4.46Å; C99-I101 HydrophobicContact CB-CG1 4.49Å; C99-I101 PolarHBondContact O-N 2.94Å
102	G	93.4	Very high	94.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.4	-170	171.6	0	0	0	0	0	111.2	M49 R50	M49-G102 CarbonylContact C-O 3.5Å; M49-G102 VanDerWaalsContact CA-O 3.3Å; M49-G102 WeakPolarHBondContact CA-O 3.41Å; R50-G102 CarbonylContact C-O 3.33Å; R50-G102 PolarHBondContact N-O 2.82Å; R50-G102 PolarHBondContact O-N 3.47Å
103	P	95.3	Very high	94.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.229	C	C	.	.			cis	-77.2	135.2	13.2	31.5	-36.5	0	0	0	112.6	L46 P47 Y93 L94	L46-P103 HydrophobicContact CB-CG 4.19Å; L46-P103 HydrophobicContact CD2-CB 4.37Å; L46-P103 HydrophobicContact CG-CG 4.43Å; P47-P103 HydrophobicContact CB-CG 4.36Å; P47-P103 WeakPolarHBondContact O-CD 3.41Å; P47-P103 WeakPolarHBondContact O-CG 3.42Å; Y93-P103 HydrophobicContact CD1-CB 3.71Å; Y93-P103 HydrophobicContact CD1-CG 4.22Å; Y93-P103 HydrophobicContact CG-CB 4.02Å; L94-P103 CarbonylContact O-C 3.51Å; L94-P103 VanDerWaalsContact O-CA 3.28Å; L94-P103 WeakPolarHBondContact O-CA 3.28Å
104	I	97.1	Very high	94.6	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.01	24%	0.242	C	C	.	.	S	Bend	trans	-96.9	-11.5	166	63.6	172.4	0	0	0	111.7	V31 L94 A118 R121 V122	V31-I104 HydrophobicContact CG1-CD1 4.13Å; V31-I104 HydrophobicContact CG2-CD1 3.87Å; L94-I104 HydrophobicContact CB-CG1 4.28Å; L94-I104 PolarHBondContact O-N 3.33Å; I104-A118 PolarHBondContact O-N 3.22Å; I104-R121 HydrophobicContact CB-CB 4.34Å; I104-R121 HydrophobicContact CG2-CB 4.48Å; I104-V122 HydrophobicContact CB-CG1 4.16Å
105	G	96.9	Very high	94.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	-179.8	-178.1	0	0	0	0	0	113.4	L94 Y116	L94-G105 PolarHBondContact N-O 3.42Å; L94-G105 PolarHBondContact O-N 2.71Å; G105-Y116 CarbonylContact C-O 3.55Å; G105-Y116 WeakPolarHBondContact CA-O 3.39Å
106	W	96.4	Very high	94.6	Very high	36 Å²	36	49.3 Å²	49.3	14%	0.136	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	143.5	-169.6	-174.2	104.1	0	0	0	110.6	L44 L46 I91 Y93 C108 Y116	L44-W106 HydrophobicContact CD1-CB 4.38Å; L44-W106 HydrophobicContact CD1-CD2 4.42Å; L44-W106 HydrophobicContact CD1-CE3 4.17Å; L44-W106 HydrophobicContact CD2-CD2 4.24Å; L44-W106 HydrophobicContact CD2-CE3 4.16Å; L44-W106 HydrophobicContact CD2-CH2 4.43Å; L44-W106 HydrophobicContact CD2-CZ3 4.25Å; L46-W106 HydrophobicContact CD1-CB 4.12Å; I91-W106 HydrophobicContact CD1-CZ2 3.99Å; I91-W106 HydrophobicContact CG1-CZ2 3.68Å; I91-W106 HydrophobicContact CG2-CD2 4.36Å; I91-W106 HydrophobicContact CG2-CG 4.21Å; I91-W106 HydrophobicContact CG2-CZ2 4.46Å; Y93-W106 AromaticContact CE1-CD1 3.72Å; W106-C108 HydrophobicContact CH2-CB 3.37Å; W106-C108 HydrophobicContact CZ2-CB 4.33Å; W106-C108 HydrophobicContact CZ3-CB 3.55Å; W106-C108 VanDerWaalsContact CZ3-N 3.34Å; W106-Y116 AromaticContact CE3-CD2 3.79Å; W106-Y116 HydrophobicContact CE3-CD2 3.79Å; W106-Y116 HydrophobicContact CE3-CE2 4.22Å; W106-Y116 HydrophobicContact CZ3-CD2 4.18Å; W106-Y116 HydrophobicContact CZ3-CE2 4.13Å; W106-Y116 PolarHBondContact N-O 3.41Å; W106-Y116 PolarHBondContact O-N 3.36Å
107	H	96.1	Very high	94.7	Very high	12 Å²	12	49.3 Å²	49.3	6%	0.056	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	133.5	176.7	172.1	64.2	0	0	0	111	I91 K92 L94 D111 K114 F115	I91-H107 WeakPolarHBondContact CA-O 3.43Å; K92-H107 HydrophobicContact CB-CB 4.36Å; K92-H107 PolarHBondContact N-O 2.75Å; K92-H107 PolarHBondContact O-N 3.49Å; L94-H107 HydrophobicContact CD1-CB 3.81Å; H107-D111 PolarHBondContact CE1-O 3.05Å; H107-K114 PolarHBondContact ND1-O 3.08Å; H107-F115 HydrophobicContact CB-CD1 3.84Å; H107-F115 HydrophobicContact CB-CE1 4.29Å; H107-F115 AromaticContact CD2-CE1 3.83Å; H107-F115 AromaticContact CE1-CD1 3.96Å; H107-F115 AromaticContact CE1-CE1 3.42Å; H107-F115 VanDerWaalsContact CE1-CE1 3.42Å; H107-F115 WeakPolarHBondContact CE1-CE1 2.97Å; H107-F115 AromaticContact CE1-CZ 3.67Å; H107-F115 AromaticContact CG-CD1 3.57Å; H107-F115 AromaticContact CG-CE1 3.57Å; H107-F115 AromaticContact ND1-CD1 3.37Å; H107-F115 WeakPolarHBondContact ND1-CD1 3.43Å; H107-F115 AromaticContact ND1-CE1 3.33Å; H107-F115 VanDerWaalsContact ND1-CE1 3.33Å; H107-F115 WeakPolarHBondContact ND1-CE1 3.24Å; H107-F115 AromaticContact ND1-CG 4Å; H107-F115 AromaticContact ND1-CZ 3.92Å; H107-F115 AromaticContact NE2-CE1 3.74Å
108	C	93.5	Very high	94.8	Very high	25 Å²	25	47.3 Å²	47.3	17%	0.169	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	129	173	-161.1	0	0	0	0	110.6	W106 D110 D111	W106-C108 HydrophobicContact CH2-CB 3.37Å; W106-C108 HydrophobicContact CZ2-CB 4.33Å; W106-C108 HydrophobicContact CZ3-CB 3.55Å; W106-C108 VanDerWaalsContact CZ3-N 3.34Å; C108-D110 PolarHBondContact O-N 3.36Å; C108-D111 HydrophobicContact CB-CB 4.45Å; C108-D111 CarbonylContact O-C 3.57Å; C108-D111 VanDerWaalsContact O-C 3.31Å; C108-D111 PolarHBondContact O-N 3.43Å
109	L	90.9	Very high	94.8	Very high	58 Å²	58	43.3 Å²	43.3	30%	0.304	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-22.1	174.6	-64.2	179.4	0	0	0	113.4	D87 K90 K92 D111	D87-L109 HydrophobicContact CB-CD1 4.14Å; K90-L109 WeakPolarHBondContact O-CB 3.33Å; K90-L109 WeakPolarHBondContact O-CG 3.43Å; K90-L109 PolarHBondContact O-N 3Å; K92-L109 HydrophobicContact CD-CD2 3.76Å; K92-L109 HydrophobicContact CG-CD2 3.92Å; L109-D111 VanDerWaalsContact C-N 3.29Å
110	D	92.8	Very high	94.8	Very high	111 Å²	111	46.8 Å²	46.8	59%	0.594	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-24.3	173.7	-67.4	-30.3	0	0	0	111.7	K90 C108	K90-D110 WeakPolarHBondContact CD-OD2 3.05Å; K90-D110 IonicContact NZ-OD1 2.85Å; K90-D110 PolarHBondContact NZ-OD1 2.63Å; K90-D110 IonicContact NZ-OD2 2.72Å; K90-D110 PolarHBondContact NZ-OD2 2.94Å; C108-D110 PolarHBondContact O-N 3.36Å
111	D	91.6	Very high	94.9	Very high	50 Å²	50	43.1 Å²	43.1	27%	0.267	21%	0.206	S	C	.	.			trans	-122.1	87.9	179	-165.6	-21.7	0	0	0	111.3	H107 C108 L109 K113 K114	H107-D111 PolarHBondContact CE1-O 3.05Å; C108-D111 HydrophobicContact CB-CB 4.45Å; C108-D111 CarbonylContact O-C 3.57Å; C108-D111 VanDerWaalsContact O-C 3.31Å; C108-D111 PolarHBondContact O-N 3.43Å; L109-D111 VanDerWaalsContact C-N 3.29Å; D111-K113 PolarHBondContact O-N 3.29Å; D111-K113 PolarHBondContact OD1-N 3.3Å; D111-K114 HydrophobicContact CB-CB 4.45Å; D111-K114 PolarHBondContact O-N 3.09Å; D111-K114 VanDerWaalsContact OD2-CD 3.26Å; D111-K114 WeakPolarHBondContact OD2-CD 3.46Å; D111-K114 VanDerWaalsContact OD2-CE 3.31Å; D111-K114 WeakPolarHBondContact OD2-CE 3.35Å; D111-K114 VanDerWaalsContact OD2-CG 3.31Å; D111-K114 WeakPolarHBondContact OD2-CG 3.47Å; D111-K114 IonicContact OD2-NZ 2.72Å; D111-K114 PolarHBondContact OD2-NZ 3.44Å
112	K	88.1	Confident	95.1	Very high	168 Å²	168	42 Å²	42	73%	0.73	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-11.8	-176.2	-63.5	-176.1	-178.4	179.3	0	114.6	F115	K112-F115 WeakPolarHBondContact O-CE2 3.34Å; K112-F115 WeakPolarHBondContact O-CZ 3.42Å
113	K	92.3	Very high	95.2	Very high	152 Å²	152	45.9 Å²	45.9	66%	0.661	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.3	12.6	-175	-63.1	-170.7	176.7	-170.6	0	112.7	D74 D111	D74-K113 WeakPolarHBondContact CA-O 3.37Å; D74-K113 WeakPolarHBondContact O-CA 3.46Å; D111-K113 PolarHBondContact O-N 3.29Å; D111-K113 PolarHBondContact OD1-N 3.3Å
114	K	95.6	Very high	95.3	Very high	80 Å²	80	48.2 Å²	48.2	35%	0.348	23%	0.232	S	C	.	.			trans	-126.6	109.7	177.5	-65.6	-161	-169.3	114.9	0	111.2	L72 H107 D111 Y116	L72-K114 HydrophobicContact CD1-CB 3.81Å; L72-K114 HydrophobicContact CD1-CD 4.19Å; L72-K114 HydrophobicContact CD1-CG 3.92Å; H107-K114 PolarHBondContact ND1-O 3.08Å; D111-K114 HydrophobicContact CB-CB 4.45Å; D111-K114 PolarHBondContact O-N 3.09Å; D111-K114 VanDerWaalsContact OD2-CD 3.26Å; D111-K114 WeakPolarHBondContact OD2-CD 3.46Å; D111-K114 VanDerWaalsContact OD2-CE 3.31Å; D111-K114 WeakPolarHBondContact OD2-CE 3.35Å; D111-K114 VanDerWaalsContact OD2-CG 3.31Å; D111-K114 WeakPolarHBondContact OD2-CG 3.47Å; D111-K114 IonicContact OD2-NZ 2.72Å; D111-K114 PolarHBondContact OD2-NZ 3.44Å; K114-Y116 HydrophobicContact CB-CE2 3.72Å; K114-Y116 HydrophobicContact CD-CE2 4.42Å; K114-Y116 VanDerWaalsContact CD-OH 3.25Å; K114-Y116 WeakPolarHBondContact CD-OH 3.08Å
115	F	97.8	Very high	95.2	Very high	4 Å²	4	56.5 Å²	56.5	2%	0.018	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	124.9	174.1	-53.1	-90.7	0	0	0	107.8	L72 V73 M76 F79 F84 L94 H107 K112	L72-F115 WeakPolarHBondContact CA-O 3.46Å; V73-F115 HydrophobicContact CB-CB 4.24Å; V73-F115 PolarHBondContact N-O 2.55Å; V73-F115 WeakPolarHBondContact O-CD2 3.41Å; V73-F115 PolarHBondContact O-N 2.86Å; M76-F115 HydrophobicContact CB-CE2 4.28Å; M76-F115 HydrophobicContact CB-CZ 4.04Å; M76-F115 HydrophobicContact CE-CZ 4.37Å; F79-F115 HydrophobicContact CE2-CB 3.8Å; F79-F115 HydrophobicContact CE2-CD1 4.47Å; F79-F115 HydrophobicContact CE2-CD2 4.46Å; F79-F115 HydrophobicContact CE2-CG 4.01Å; F79-F115 HydrophobicContact CZ-CB 3.83Å; F84-F115 AromaticContact CE1-CD1 3.89Å; F84-F115 HydrophobicContact CE1-CD1 3.89Å; F84-F115 AromaticContact CE1-CE1 3.89Å; F84-F115 HydrophobicContact CE1-CE1 3.89Å; F84-F115 HydrophobicContact CZ-CD1 4.12Å; F84-F115 HydrophobicContact CZ-CE1 4.03Å; L94-F115 HydrophobicContact CD2-CB 4.33Å; H107-F115 HydrophobicContact CB-CD1 3.84Å; H107-F115 HydrophobicContact CB-CE1 4.29Å; H107-F115 AromaticContact CD2-CE1 3.83Å; H107-F115 AromaticContact CE1-CD1 3.96Å; H107-F115 AromaticContact CE1-CE1 3.42Å; H107-F115 VanDerWaalsContact CE1-CE1 3.42Å; H107-F115 WeakPolarHBondContact CE1-CE1 2.97Å; H107-F115 AromaticContact CE1-CZ 3.67Å; H107-F115 AromaticContact CG-CD1 3.57Å; H107-F115 AromaticContact CG-CE1 3.57Å; H107-F115 AromaticContact ND1-CD1 3.37Å; H107-F115 WeakPolarHBondContact ND1-CD1 3.43Å; H107-F115 AromaticContact ND1-CE1 3.33Å; H107-F115 VanDerWaalsContact ND1-CE1 3.33Å; H107-F115 WeakPolarHBondContact ND1-CE1 3.24Å; H107-F115 AromaticContact ND1-CG 4Å; H107-F115 AromaticContact ND1-CZ 3.92Å; H107-F115 AromaticContact NE2-CE1 3.74Å; K112-F115 WeakPolarHBondContact O-CE2 3.34Å; K112-F115 WeakPolarHBondContact O-CZ 3.42Å
116	Y	97.9	Very high	95.1	Very high	22 Å²	22	59.3 Å²	59.3	9%	0.086	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	124.9	-177	-62	-92	0	0	0	109.2	A40 N42 L44 H70 W71 L72 G105 W106 K114	A40-Y116 HydrophobicContact CB-CE1 4.46Å; N42-Y116 HydrophobicContact CB-CE1 4.43Å; N42-Y116 WeakPolarHBondContact ND2-CE1 3.4Å; L44-Y116 HydrophobicContact CD1-CD1 3.88Å; L44-Y116 HydrophobicContact CD1-CD2 3.84Å; L44-Y116 HydrophobicContact CD1-CE1 4.46Å; L44-Y116 HydrophobicContact CD1-CE2 4.41Å; L44-Y116 HydrophobicContact CD1-CG 3.5Å; H70-Y116 HydrophobicContact CB-CD1 4.02Å; W71-Y116 CarbonylContact O-C 3.54Å; W71-Y116 WeakPolarHBondContact O-CA 3.26Å; L72-Y116 HydrophobicContact CB-CE1 4.49Å; L72-Y116 HydrophobicContact CD1-CD1 4.12Å; L72-Y116 HydrophobicContact CD1-CE1 3.79Å; L72-Y116 HydrophobicContact CD1-CE2 4.34Å; G105-Y116 CarbonylContact C-O 3.55Å; G105-Y116 WeakPolarHBondContact CA-O 3.39Å; W106-Y116 AromaticContact CE3-CD2 3.79Å; W106-Y116 HydrophobicContact CE3-CD2 3.79Å; W106-Y116 HydrophobicContact CE3-CE2 4.22Å; W106-Y116 HydrophobicContact CZ3-CD2 4.18Å; W106-Y116 HydrophobicContact CZ3-CE2 4.13Å; W106-Y116 PolarHBondContact N-O 3.41Å; W106-Y116 PolarHBondContact O-N 3.36Å; K114-Y116 HydrophobicContact CB-CE2 3.72Å; K114-Y116 HydrophobicContact CD-CE2 4.42Å; K114-Y116 VanDerWaalsContact CD-OH 3.25Å; K114-Y116 WeakPolarHBondContact CD-OH 3.08Å
117	V	98.1	Very high	95	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	120.5	170.8	-177	0	0	0	0	108.3	V22 L32 H70 W71 F79 L94 V122	V22-V117 HydrophobicContact CG1-CG1 4.31Å; L32-V117 HydrophobicContact CD1-CG2 4.27Å; H70-V117 CarbonylContact C-O 3.52Å; H70-V117 VanDerWaalsContact CA-O 3.26Å; H70-V117 WeakPolarHBondContact CA-O 3.38Å; W71-V117 HydrophobicContact CB-CB 4.2Å; W71-V117 PolarHBondContact N-O 3.1Å; W71-V117 PolarHBondContact O-N 3.18Å; F79-V117 HydrophobicContact CE1-CG2 3.63Å; F79-V117 HydrophobicContact CZ-CG2 4.03Å; L94-V117 HydrophobicContact CD2-CG2 4.22Å; V117-V122 HydrophobicContact CG1-CG1 3.64Å; V117-V122 HydrophobicContact CG1-CG2 4.31Å
118	A	97.6	Very high	94.9	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	129.2	-175.6	0	0	0	0	0	111	L46 L67 I104 D120 R121 V122	L46-A118 HydrophobicContact CD2-CB 3.79Å; L67-A118 HydrophobicContact CD1-CB 3.47Å; L67-A118 VanDerWaalsContact CD1-CB 3.47Å; I104-A118 PolarHBondContact O-N 3.22Å; A118-D120 VanDerWaalsContact C-N 3.3Å; A118-D120 PolarHBondContact O-N 3.08Å; A118-R121 HydrophobicContact CB-CB 4.22Å; A118-R121 HydrophobicContact CB-CG 3.87Å; A118-R121 PolarHBondContact O-N 2.96Å; A118-V122 WeakPolarHBondContact O-CG2 3.3Å
119	L	96.4	Very high	95	Very high	22 Å²	22	65.5 Å²	65.5	12%	0.115	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-59.9	-40.7	-177.2	-89.6	66.3	0	0	0	111.6	F39 A69 W71 R121 V122	F39-L119 HydrophobicContact CD2-CD2 4.34Å; F39-L119 HydrophobicContact CE2-CD2 3.98Å; A69-L119 HydrophobicContact CB-CB 4.43Å; A69-L119 HydrophobicContact CB-CD2 4.31Å; A69-L119 PolarHBondContact O-N 2.61Å; A69-L119 VanDerWaalsContact O-N 3.09Å; W71-L119 HydrophobicContact CD2-CD1 4.06Å; W71-L119 HydrophobicContact CG-CD1 3.91Å; L119-R121 PolarHBondContact O-N 3.3Å; L119-R121 VanDerWaalsContact O-N 3.13Å; L119-V122 WeakPolarHBondContact O-CG2 3.19Å; L119-V122 PolarHBondContact O-N 3.46Å; L119-V122 VanDerWaalsContact O-O 3.12Å
120	D	94.9	Very high	95.3	Very high	110 Å²	110	65.9 Å²	65.9	59%	0.588	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-66.7	-12.9	178.6	-63.1	-66.6	0	0	0	114.2	L67 A118	L67-D120 HydrophobicContact CD1-CB 4.46Å; L67-D120 HydrophobicContact CD2-CB 4.3Å; A118-D120 VanDerWaalsContact C-N 3.3Å; A118-D120 PolarHBondContact O-N 3.08Å
121	R	96.2	Very high	95.5	Very high	21 Å²	21	62.9 Å²	62.9	8%	0.079	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-101.7	1.2	-177.6	-57.8	-65.8	-162.3	-180	-2.8	112.9	Q25 L46 P47 M49 D65 L67 I104 A118 L119	Q25-R121 PolarHBondContact NE2-O 3.44Å; L46-R121 HydrophobicContact CD2-CG 4.23Å; L46-R121 PolarHBondContact O-NH2 2.83Å; P47-R121 PolarHBondContact O-NH2 2.78Å; M49-R121 HydrophobicContact SD-CB 4.46Å; D65-R121 IonicContact OD2-CZ 3.47Å; D65-R121 IonicContact OD2-NH1 3.7Å; D65-R121 IonicContact OD2-NH2 2.71Å; D65-R121 PolarHBondContact OD2-NH2 3.42Å; L67-R121 HydrophobicContact CD1-CG 3.88Å; I104-R121 HydrophobicContact CB-CB 4.34Å; I104-R121 HydrophobicContact CG2-CB 4.48Å; A118-R121 HydrophobicContact CB-CB 4.22Å; A118-R121 HydrophobicContact CB-CG 3.87Å; A118-R121 PolarHBondContact O-N 2.96Å; L119-R121 PolarHBondContact O-N 3.3Å; L119-R121 VanDerWaalsContact O-N 3.13Å
122	V	97.4	Very high	95.7	Very high	8 Å²	8	63.9 Å²	63.9	5%	0.048	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	164.7	-175.5	-64.1	0	0	0	0	111.5	V22 L23 I104 V117 A118 L119	V22-V122 HydrophobicContact CG1-CB 3.64Å; V22-V122 HydrophobicContact CG1-CG1 3.9Å; V22-V122 HydrophobicContact CG1-CG2 3.49Å; V22-V122 VanDerWaalsContact CG1-CG2 3.49Å; L23-V122 WeakPolarHBondContact O-CA 3.3Å; L23-V122 WeakPolarHBondContact O-CB 3.2Å; I104-V122 HydrophobicContact CB-CG1 4.16Å; V117-V122 HydrophobicContact CG1-CG1 3.64Å; V117-V122 HydrophobicContact CG1-CG2 4.31Å; A118-V122 WeakPolarHBondContact O-CG2 3.3Å; L119-V122 WeakPolarHBondContact O-CG2 3.19Å; L119-V122 PolarHBondContact O-N 3.46Å; L119-V122 VanDerWaalsContact O-O 3.12Å
123	N	97.3	Very high	96.3	Very high	83 Å²	83	55.8 Å²	55.8	44%	0.444	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	162.1	170.7	-70.5	-5.8	0	0	0	110.1	L23 Q25	L23-N123 HydrophobicContact CB-CB 4.42Å; L23-N123 PolarHBondContact N-O 3.19Å; L23-N123 PolarHBondContact O-N 3.1Å; Q25-N123 WeakPolarHBondContact CB-OD1 3.33Å
124	H	97.4	Very high	96.7	Very high	48 Å²	48	47.8 Å²	47.8	22%	0.222	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	129.5	178.9	-50.3	80.2	0	0	0	111.2	L11 K20 S21 W71	L11-H124 HydrophobicContact CD2-CB 3.57Å; K20-H124 HydrophobicContact CB-CB 3.95Å; K20-H124 HydrophobicContact CD-CB 4Å; S21-H124 VanDerWaalsContact O-CA 3.3Å; S21-H124 WeakPolarHBondContact O-CA 3.02Å; W71-H124 AromaticContact CE2-NE2 3.98Å; W71-H124 AromaticContact NE1-CD2 3.54Å; W71-H124 AromaticContact NE1-NE2 3.11Å; W71-H124 PolarHBondContact NE1-NE2 2.94Å; W71-H124 VanDerWaalsContact NE1-NE2 3.11Å
125	E	93.4	Very high	96.8	Very high	176 Å²	176	44.9 Å²	44.9	82%	0.822	22%	0.22	S	C	*	.			trans	-134	0	179.5	-166.8	177.1	163.5	0	0	112.1	S21 L23	S21-E125 WeakPolarHBondContact CB-O 3.42Å; S21-E125 PolarHBondContact N-O 2.96Å; S21-E125 PolarHBondContact O-N 3.12Å; S21-E125 VanDerWaalsContact O-N 3.15Å; S21-E125 PolarHBondContact OG-O 3.06Å; L23-E125 HydrophobicContact CD1-CB 3.77Å; L23-E125 WeakPolarHBondContact CD1-OE2 3.43Å

Retrieved 125 of 125 residues in 24.7 ms (Link to these results)

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