X5J526_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J526, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 110 aa.

						>X5J526_MOUSE|X5J526
PSLVKPSQTLSLTCSVSGDSITSGYWNWIRQFPGNKLEWMGYINYSGSTSYNPSLKSRISITRDTSKNQFFLQLNSVTPEDTGIYYCARDYYGSSYFDYWGQGTTLTVSS
					

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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	P	59.5	Low	81.6	Confident	144 Å²	144	80.3 Å²	80.3	94%	0.935	47%	0.471	S	S	*	.				0	116.9	0	-3.8	24.2	0	0	0	110.2	T105	P1-T105 VanDerWaalsContact CA-O 3.28Å; P1-T105 WeakPolarHBondContact CA-O 3.37Å
2	S	73.9	Confident	82.5	Confident	56 Å²	56	74.8 Å²	74.8	39%	0.392	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	123.8	176	-63.1	0	0	0	0	109.4	T105 T107	S2-T105 PolarHBondContact N-O 3.05Å; S2-T107 PolarHBondContact O-N 2.98Å
3	L	77.9	Confident	83.3	Confident	129 Å²	129	74.5 Å²	74.5	68%	0.675	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	125.8	176.3	-168.6	69.7	0	0	0	109.4	T107 S109	L3-T107 WeakPolarHBondContact CA-O 3.47Å; L3-T107 HydrophobicContact CD1-CG2 4.11Å; L3-S109 WeakPolarHBondContact CD1-OG 3.36Å
4	V	80	Confident	83.9	Confident	18 Å²	18	69.6 Å²	69.6	11%	0.109	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	141.5	-177.4	-162.9	0	0	0	0	109.6	Q8 L10 V77 L106 T107 V108 S109	V4-Q8 HydrophobicContact CG1-CB 3.87Å; V4-Q8 VanDerWaalsContact CG1-OE1 3.31Å; V4-L10 HydrophobicContact CG2-CD1 4.29Å; V4-V77 HydrophobicContact CG1-CG2 4.09Å; V4-L106 HydrophobicContact CG2-CD1 3.54Å; V4-T107 PolarHBondContact N-O 3.39Å; V4-V108 WeakPolarHBondContact O-CA 3.44Å; V4-S109 PolarHBondContact O-N 2.58Å
5	K	81.6	Confident	84.4	Confident	134 Å²	134	69.7 Å²	69.7	58%	0.583	42%	0.415	S	S	*	.			trans	-80.1	151.4	176	-67	-176	176.6	-175.5	0	110.4	Q8 V77	K5-Q8 HydrophobicContact CB-CG 4.16Å; K5-Q8 WeakPolarHBondContact O-CB 3.15Å; K5-Q8 WeakPolarHBondContact O-CG 3.22Å; K5-Q8 PolarHBondContact O-N 3.3Å; K5-V77 WeakPolarHBondContact O-CG2 3.46Å
6	P	82.5	Confident	84.6	Confident	46 Å²	46	66.1 Å²	66.1	30%	0.299	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	152.6	172.8	-25.3	34	0	0	0	112.6	Q8 V77 V108 S109	P6-Q8 PolarHBondContact O-N 3.28Å; P6-Q8 VanDerWaalsContact O-N 3.11Å; P6-V77 CarbonylContact C-O 3.54Å; P6-V77 WeakPolarHBondContact CA-O 3.46Å; P6-V108 HydrophobicContact CG-CG1 4.27Å; P6-S109 WeakPolarHBondContact CD-O 3.37Å
7	S	84.1	Confident	84.6	Confident	100 Å²	100	68 Å²	68	70%	0.699	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	1.5	-179.9	-52.4	0	0	0	0	115.7	V77	S7-V77 PolarHBondContact N-O 2.86Å
8	Q	87.7	Confident	84.6	Confident	92 Å²	92	68.9 Å²	68.9	43%	0.43	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-79.8	165	171.5	-64.4	-170.8	-45.3	0	0	111.6	V4 K5 P6 S76 V77	V4-Q8 HydrophobicContact CG1-CB 3.87Å; V4-Q8 VanDerWaalsContact CG1-OE1 3.31Å; K5-Q8 HydrophobicContact CB-CG 4.16Å; K5-Q8 WeakPolarHBondContact O-CB 3.15Å; K5-Q8 WeakPolarHBondContact O-CG 3.22Å; K5-Q8 PolarHBondContact O-N 3.3Å; P6-Q8 PolarHBondContact O-N 3.28Å; P6-Q8 VanDerWaalsContact O-N 3.11Å; Q8-S76 PolarHBondContact O-N 3.18Å; Q8-V77 HydrophobicContact CB-CG2 4.48Å; Q8-V77 WeakPolarHBondContact O-CG2 3.19Å; Q8-V77 PolarHBondContact O-N 2.97Å; Q8-V77 VanDerWaalsContact O-N 3.1Å
9	T	89.1	Confident	84.5	Confident	73 Å²	73	67.8 Å²	67.8	45%	0.448	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-93.6	125.8	169.7	-64.9	0	0	0	0	109.5	Q73 L74 N75	T9-Q73 HydrophobicContact CG2-CG 3.46Å; T9-Q73 VanDerWaalsContact CG2-CG 3.46Å; T9-L74 WeakPolarHBondContact CA-O 3.12Å; T9-N75 WeakPolarHBondContact CG2-OD1 3.41Å; T9-N75 PolarHBondContact OG1-OD1 2.8Å
10	L	89.1	Confident	84.6	Confident	12 Å²	12	66.5 Å²	66.5	6%	0.063	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	135.3	168.4	174.5	66.5	0	0	0	109.6	V4 L12 Q73 L74 V77 L106	V4-L10 HydrophobicContact CG2-CD1 4.29Å; L10-L12 HydrophobicContact CD1-CD2 3.86Å; L10-L12 HydrophobicContact CD1-CG 4.28Å; L10-L12 HydrophobicContact CD2-CD1 4.11Å; L10-L12 HydrophobicContact CD2-CD2 4.19Å; L10-L12 HydrophobicContact CD2-CG 3.97Å; L10-L12 HydrophobicContact CG-CD2 4.13Å; L10-L12 HydrophobicContact CG-CG 4Å; L10-Q73 CarbonylContact O-C 3.53Å; L10-Q73 WeakPolarHBondContact O-CA 3.31Å; L10-L74 HydrophobicContact CB-CB 4.37Å; L10-L74 PolarHBondContact N-O 2.56Å; L10-L74 PolarHBondContact O-N 3.1Å; L10-V77 HydrophobicContact CB-CG1 3.81Å; L10-L106 HydrophobicContact CD1-CD1 3.54Å; L10-L106 HydrophobicContact CD2-CD1 3.76Å; L10-L106 HydrophobicContact CD2-CD2 3.39Å; L10-L106 HydrophobicContact CD2-CG 4.16Å; L10-L106 HydrophobicContact CG-CD1 4.27Å
11	S	92.1	Very high	84.7	Confident	79 Å²	79	63.4 Å²	63.4	55%	0.552	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.2	122.2	168.1	-171.9	0	0	0	0	109.1	L72	S11-L72 CarbonylContact C-O 3.56Å; S11-L72 WeakPolarHBondContact CA-O 3.04Å
12	L	92.6	Very high	86	Confident	14 Å²	14	59.9 Å²	59.9	7%	0.073	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	143.6	174.5	-59.6	178.2	0	0	0	109.8	L10 W28 F71 L72 Y85 T104	L10-L12 HydrophobicContact CD1-CD2 3.86Å; L10-L12 HydrophobicContact CD1-CG 4.28Å; L10-L12 HydrophobicContact CD2-CD1 4.11Å; L10-L12 HydrophobicContact CD2-CD2 4.19Å; L10-L12 HydrophobicContact CD2-CG 3.97Å; L10-L12 HydrophobicContact CG-CD2 4.13Å; L10-L12 HydrophobicContact CG-CG 4Å; L12-W28 HydrophobicContact CB-CH2 3.61Å; L12-W28 HydrophobicContact CB-CZ2 4.24Å; L12-W28 HydrophobicContact CB-CZ3 3.99Å; L12-W28 HydrophobicContact CD1-CH2 4.48Å; L12-W28 HydrophobicContact CD1-CZ3 4Å; L12-F71 CarbonylContact O-C 3.58Å; L12-F71 WeakPolarHBondContact O-CA 3.38Å; L12-L72 HydrophobicContact CB-CB 4.3Å; L12-L72 HydrophobicContact CD1-CD2 4.12Å; L12-L72 PolarHBondContact N-O 3.42Å; L12-L72 PolarHBondContact O-N 3.07Å; L12-Y85 VanDerWaalsContact CD1-CB 3.4Å; L12-Y85 HydrophobicContact CD1-CD1 3.53Å; L12-Y85 HydrophobicContact CD1-CD2 4.22Å; L12-Y85 HydrophobicContact CD1-CE1 4.32Å; L12-Y85 HydrophobicContact CD1-CG 3.45Å; L12-Y85 VanDerWaalsContact CD1-CG 3.45Å; L12-T104 HydrophobicContact CD2-CG2 4.46Å
13	T	93.3	Very high	86.4	Confident	72 Å²	72	59 Å²	59	44%	0.442	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	132.1	177.2	-56	0	0	0	0	109.1	Q69 F71	T13-Q69 HydrophobicContact CG2-CB 4.38Å; T13-Q69 HydrophobicContact CG2-CG 4.12Å; T13-F71 HydrophobicContact CG2-CD1 3.81Å; T13-F71 HydrophobicContact CG2-CE1 3.44Å; T13-F71 VanDerWaalsContact CG2-CE1 3.44Å; T13-F71 HydrophobicContact CG2-CZ 4.32Å; T13-F71 VanDerWaalsContact OG1-CD1 3.29Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.38Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.34Å
14	C	91.4	Very high	86.7	Confident	6 Å²	6	53.4 Å²	53.4	4%	0.041	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	121.7	163.7	-175.4	0	0	0	0	109.4	W28 Q69 F70 C87	C14-W28 HydrophobicContact CB-CH2 3.97Å; C14-W28 HydrophobicContact CB-CZ2 3.95Å; C14-Q69 VanDerWaalsContact O-CA 3.32Å; C14-Q69 WeakPolarHBondContact O-CA 3.46Å; C14-F70 HydrophobicContact CB-CD1 4Å; C14-F70 HydrophobicContact CB-CE1 3.56Å; C14-F70 HydrophobicContact CB-CE2 4.23Å; C14-F70 HydrophobicContact CB-CZ 3.71Å; C14-F70 PolarHBondContact N-O 2.87Å; C14-F70 PolarHBondContact O-N 2.87Å; C14-F70 VanDerWaalsContact SG-CE1 3.59Å; C14-C87 HydrophobicContact CB-CB 3.48Å; C14-C87 VanDerWaalsContact CB-CB 3.48Å; C14-C87 WeakPolarHBondContact CB-SG 3.5Å; C14-C87 WeakPolarHBondContact SG-CB 3.45Å; C14-C87 CovalentContact SG-SG 2.05Å; C14-C87 PolarHBondContact SG-SG 2.91Å
15	S	91.3	Very high	87.1	Confident	70 Å²	70	54.1 Å²	54.1	49%	0.49	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	122.1	174.2	-56.6	0	0	0	0	108.9	Q69	S15-Q69 PolarHBondContact OG-NE2 2.99Å
16	V	87.4	Confident	87.6	Confident	12 Å²	12	47.8 Å²	47.8	7%	0.073	32%	0.318	C	S	.	.			trans	-91.4	133	178.3	179.2	0	0	0	0	109.2	D19 I21 W26 N68 F70 W100	V16-D19 HydrophobicContact CG1-CB 4.07Å; V16-I21 HydrophobicContact CB-CG2 3.96Å; V16-I21 HydrophobicContact CG2-CG2 3.57Å; V16-W26 HydrophobicContact CB-CH2 4.17Å; V16-W26 HydrophobicContact CB-CZ3 4.49Å; V16-W26 HydrophobicContact CG1-CH2 3.44Å; V16-W26 VanDerWaalsContact CG1-CH2 3.44Å; V16-W26 HydrophobicContact CG1-CZ2 3.95Å; V16-W26 HydrophobicContact CG1-CZ3 4.15Å; V16-W26 HydrophobicContact CG2-CD2 4.41Å; V16-W26 HydrophobicContact CG2-CE3 3.93Å; V16-W26 HydrophobicContact CG2-CH2 3.59Å; V16-W26 HydrophobicContact CG2-CZ2 4.11Å; V16-W26 HydrophobicContact CG2-CZ3 3.49Å; V16-W26 VanDerWaalsContact CG2-CZ3 3.49Å; V16-N68 PolarHBondContact N-O 3.05Å; V16-N68 PolarHBondContact O-ND2 2.86Å; V16-F70 HydrophobicContact CG2-CD1 4.23Å; V16-F70 HydrophobicContact CG2-CE1 3.96Å; V16-W100 HydrophobicContact CG1-CE3 4.08Å; V16-W100 HydrophobicContact CG1-CZ3 4.16Å
17	S	85.8	Confident	88.1	Confident	99 Å²	99	45.8 Å²	45.8	69%	0.692	31%	0.305	S	S	*	.			trans	-129.5	131.4	177.5	59	0	0	0	0	109.7	D19 W100	S17-D19 VanDerWaalsContact C-N 3.32Å; S17-W100 WeakPolarHBondContact O-CZ3 3.32Å
18	G	83.8	Confident	88.5	Confident	85 Å²	85	41.3 Å²	41.3	88%	0.876	27%	0.272	S	S	*	.	S	Bend	trans	86.8	-3.1	-177.6	0	0	0	0	0	114.8
19	D	82.3	Confident	88.8	Confident	47 Å²	47	37.4 Å²	37.4	25%	0.251	25%	0.254	S	S	.	.	S	Bend	trans	-146.8	179.9	169.6	-143.9	-58.9	0	0	0	111	V16 S17 S23 N68 R89 W100	V16-D19 HydrophobicContact CG1-CB 4.07Å; S17-D19 VanDerWaalsContact C-N 3.32Å; D19-S23 PolarHBondContact OD1-OG 2.75Å; D19-N68 PolarHBondContact O-ND2 2.84Å; D19-R89 VanDerWaalsContact CG-CZ 3.44Å; D19-R89 IonicContact OD1-CZ 2.63Å; D19-R89 IonicContact OD1-NH1 3.75Å; D19-R89 IonicContact OD1-NH2 3.67Å; D19-R89 PolarHBondContact OD1-NH2 2.73Å; D19-R89 IonicContact OD2-CZ 2.8Å; D19-R89 IonicContact OD2-NH1 3.6Å; D19-R89 PolarHBondContact OD2-NH1 3.47Å; D19-R89 IonicContact OD2-NH2 3.66Å; D19-R89 PolarHBondContact OD2-NH2 3.36Å; D19-R89 VanDerWaalsContact OD2-NH2 3.1Å; D19-W100 HydrophobicContact CB-CH2 3.49Å; D19-W100 VanDerWaalsContact CB-CH2 3.49Å; D19-W100 HydrophobicContact CB-CZ2 4.17Å; D19-W100 HydrophobicContact CB-CZ3 3.82Å
20	S	86.1	Confident	89	Confident	41 Å²	41	34.3 Å²	34.3	29%	0.287	23%	0.234	S	C	.	.			trans	-111.1	137.9	178.6	-174.2	0	0	0	0	112.2	T22 S23 W26 N68	S20-T22 PolarHBondContact O-N 3.1Å; S20-T22 PolarHBondContact OG-N 3.22Å; S20-T22 VanDerWaalsContact OG-N 3.14Å; S20-T22 PolarHBondContact OG-OG1 2.77Å; S20-S23 PolarHBondContact O-N 2.95Å; S20-S23 VanDerWaalsContact O-N 3.08Å; S20-S23 PolarHBondContact O-OG 3.06Å; S20-W26 WeakPolarHBondContact O-CZ2 3.31Å; S20-N68 WeakPolarHBondContact CA-OD1 3.3Å
21	I	87.8	Confident	89.2	Confident	2 Å²	2	35.3 Å²	35.3	1%	0.01	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-10.4	170.1	66.8	171.8	0	0	0	113	V16 S23 W26 R63 D64 T65 N68 Q69 F70	V16-I21 HydrophobicContact CB-CG2 3.96Å; V16-I21 HydrophobicContact CG2-CG2 3.57Å; I21-S23 VanDerWaalsContact C-N 3.33Å; I21-W26 VanDerWaalsContact CA-NE1 3.3Å; I21-W26 PolarHBondContact O-NE1 2.56Å; I21-R63 HydrophobicContact CD1-CB 3.91Å; I21-D64 WeakPolarHBondContact CD1-O 3Å; I21-T65 HydrophobicContact CD1-CG2 3.98Å; I21-T65 HydrophobicContact CG1-CG2 4.14Å; I21-N68 PolarHBondContact N-OD1 2.86Å; I21-Q69 WeakPolarHBondContact CD1-O 3.28Å; I21-F70 HydrophobicContact CG2-CD1 4.16Å
22	T	87.5	Confident	89.1	Confident	70 Å²	70	33.7 Å²	33.7	43%	0.429	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	6.8	175.2	66.4	0	0	0	0	113.3	S20 Y45 T65	S20-T22 PolarHBondContact O-N 3.1Å; S20-T22 PolarHBondContact OG-N 3.22Å; S20-T22 VanDerWaalsContact OG-N 3.14Å; S20-T22 PolarHBondContact OG-OG1 2.77Å; T22-Y45 WeakPolarHBondContact O-CB 3.37Å; T22-T65 HydrophobicContact CG2-CG2 3.57Å
23	S	80.8	Confident	88.9	Confident	38 Å²	38	38.2 Å²	38.2	27%	0.266	25%	0.252	S	S	.	.	S	Bend	trans	-121.2	99.6	174.6	50.2	0	0	0	0	110.1	D19 S20 I21 R89	D19-S23 PolarHBondContact OD1-OG 2.75Å; S20-S23 PolarHBondContact O-N 2.95Å; S20-S23 VanDerWaalsContact O-N 3.08Å; S20-S23 PolarHBondContact O-OG 3.06Å; I21-S23 VanDerWaalsContact C-N 3.33Å; S23-R89 PolarHBondContact O-NE 3.07Å; S23-R89 VanDerWaalsContact O-NE 3.08Å; S23-R89 PolarHBondContact O-NH2 2.72Å; S23-R89 PolarHBondContact OG-NH2 2.82Å
24	G	84.8	Confident	88.6	Confident	12 Å²	12	38.2 Å²	38.2	12%	0.124	27%	0.267	C	S	.	.	S	Bend	trans	101	-151	172.8	0	0	0	0	0	115.6	N44 Y45	G24-N44 CarbonylContact O-C 3.59Å; G24-N44 WeakPolarHBondContact O-CA 3.49Å; G24-Y45 PolarHBondContact O-N 3.12Å
25	Y	89.6	Confident	88.3	Confident	32 Å²	32	43.9 Å²	43.9	13%	0.125	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	127.9	-175.8	-65.5	-102.7	0	0	0	109.8	N27 Y42 N44 R89 D90 Y92	Y25-N27 PolarHBondContact O-ND2 3.18Å; Y25-Y42 HydrophobicContact CD1-CD1 4.5Å; Y25-Y42 AromaticContact CD1-CD2 3.69Å; Y25-Y42 HydrophobicContact CD1-CD2 3.69Å; Y25-Y42 HydrophobicContact CD1-CE1 4.44Å; Y25-Y42 AromaticContact CD1-CE2 3.62Å; Y25-Y42 HydrophobicContact CD1-CE2 3.62Å; Y25-Y42 HydrophobicContact CD1-CG 4.2Å; Y25-Y42 HydrophobicContact CE1-CD2 4.35Å; Y25-Y42 AromaticContact CE1-CE2 3.81Å; Y25-Y42 HydrophobicContact CE1-CE2 3.81Å; Y25-N44 HydrophobicContact CD1-CB 3.6Å; Y25-N44 HydrophobicContact CE1-CB 3.53Å; Y25-N44 HydrophobicContact CG-CB 4.27Å; Y25-R89 CarbonylContact O-C 3.56Å; Y25-R89 VanDerWaalsContact O-CA 3.31Å; Y25-R89 WeakPolarHBondContact O-CA 3.4Å; Y25-D90 PolarHBondContact N-O 3.36Å; Y25-D90 PolarHBondContact O-N 3.03Å; Y25-Y92 AromaticContact CE2-CD2 3.62Å; Y25-Y92 HydrophobicContact CE2-CD2 3.62Å; Y25-Y92 HydrophobicContact CE2-CG 4.28Å; Y25-Y92 AromaticContact CZ-CD2 3.62Å; Y25-Y92 WeakPolarHBondContact OH-CD2 3.32Å; Y25-Y92 WeakPolarHBondContact OH-CE2 3.41Å
26	W	90.8	Very high	88.3	Confident	1 Å²	1	47.4 Å²	47.4	0%	0.004	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	119.7	-178.9	-65.9	92.1	0	0	0	109.6	V16 S20 I21 Y42 I43 F70 R89 W100	V16-W26 HydrophobicContact CB-CH2 4.17Å; V16-W26 HydrophobicContact CB-CZ3 4.49Å; V16-W26 HydrophobicContact CG1-CH2 3.44Å; V16-W26 VanDerWaalsContact CG1-CH2 3.44Å; V16-W26 HydrophobicContact CG1-CZ2 3.95Å; V16-W26 HydrophobicContact CG1-CZ3 4.15Å; V16-W26 HydrophobicContact CG2-CD2 4.41Å; V16-W26 HydrophobicContact CG2-CE3 3.93Å; V16-W26 HydrophobicContact CG2-CH2 3.59Å; V16-W26 HydrophobicContact CG2-CZ2 4.11Å; V16-W26 HydrophobicContact CG2-CZ3 3.49Å; V16-W26 VanDerWaalsContact CG2-CZ3 3.49Å; S20-W26 WeakPolarHBondContact O-CZ2 3.31Å; I21-W26 VanDerWaalsContact CA-NE1 3.3Å; I21-W26 PolarHBondContact O-NE1 2.56Å; W26-Y42 CarbonylContact O-C 3.49Å; W26-Y42 WeakPolarHBondContact O-CA 3.4Å; W26-Y42 WeakPolarHBondContact O-CB 3.34Å; W26-I43 HydrophobicContact CB-CG2 4.23Å; W26-I43 PolarHBondContact N-O 2.63Å; W26-I43 PolarHBondContact O-N 2.87Å; W26-F70 HydrophobicContact CB-CD1 4.17Å; W26-F70 HydrophobicContact CB-CD2 4.19Å; W26-F70 HydrophobicContact CB-CE1 3.95Å; W26-F70 HydrophobicContact CB-CE2 3.98Å; W26-F70 HydrophobicContact CB-CG 4.26Å; W26-F70 HydrophobicContact CB-CZ 3.82Å; W26-F70 HydrophobicContact CD2-CD1 4.49Å; W26-F70 HydrophobicContact CD2-CE1 4.01Å; W26-F70 HydrophobicContact CD2-CZ 4.47Å; W26-F70 HydrophobicContact CE3-CD1 4.43Å; W26-F70 AromaticContact CE3-CE1 3.56Å; W26-F70 HydrophobicContact CE3-CE1 3.56Å; W26-F70 AromaticContact CE3-CZ 3.94Å; W26-F70 HydrophobicContact CE3-CZ 3.94Å; W26-F70 HydrophobicContact CG-CD1 4.39Å; W26-F70 HydrophobicContact CG-CE1 4.19Å; W26-F70 HydrophobicContact CG-CZ 4.48Å; W26-F70 HydrophobicContact CZ3-CE1 4.37Å; W26-R89 HydrophobicContact CD2-CB 4.45Å; W26-R89 HydrophobicContact CD2-CG 4.18Å; W26-R89 HydrophobicContact CE3-CB 3.96Å; W26-R89 HydrophobicContact CE3-CG 4.17Å; W26-R89 HydrophobicContact CH2-CB 4.02Å; W26-R89 HydrophobicContact CH2-CG 3.91Å; W26-R89 HydrophobicContact CZ2-CB 4.48Å; W26-R89 HydrophobicContact CZ2-CG 3.89Å; W26-R89 HydrophobicContact CZ3-CB 3.73Å; W26-R89 HydrophobicContact CZ3-CG 4.04Å; W26-W100 AromaticContact CH2-CD2 3.88Å; W26-W100 HydrophobicContact CH2-CD2 3.88Å; W26-W100 HydrophobicContact CH2-CE3 4.14Å; W26-W100 HydrophobicContact CH2-CG 4.1Å; W26-W100 HydrophobicContact CZ3-CB 3.88Å; W26-W100 AromaticContact CZ3-CD2 3.96Å; W26-W100 HydrophobicContact CZ3-CD2 3.96Å; W26-W100 HydrophobicContact CZ3-CE3 4.42Å; W26-W100 AromaticContact CZ3-CG 3.69Å; W26-W100 HydrophobicContact CZ3-CG 3.69Å
27	N	92.4	Very high	88.5	Confident	4 Å²	4	50.8 Å²	50.8	2%	0.021	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	145.2	-166.3	-65.8	-93	0	0	0	110.5	Y25 W39 G41 Y42 C87 A88 F97	Y25-N27 PolarHBondContact O-ND2 3.18Å; N27-W39 PolarHBondContact OD1-NE1 2.97Å; N27-G41 WeakPolarHBondContact CA-O 3.44Å; N27-Y42 WeakPolarHBondContact OD1-CB 3.43Å; N27-C87 WeakPolarHBondContact O-CA 3.25Å; N27-A88 HydrophobicContact CB-CB 4.38Å; N27-A88 PolarHBondContact N-O 3.08Å; N27-A88 PolarHBondContact O-N 2.75Å; N27-F97 HydrophobicContact CB-CD1 4.46Å; N27-F97 HydrophobicContact CB-CE1 4.17Å; N27-F97 VanDerWaalsContact CG-CE1 3.48Å; N27-F97 WeakPolarHBondContact ND2-CE1 3.16Å
28	W	93.8	Very high	88.9	Confident	6 Å²	6	48 Å²	48	2%	0.023	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	129.1	165.7	-77.3	101.7	0	0	0	109.9	L12 C14 M40 G41 F70 L72	L12-W28 HydrophobicContact CB-CH2 3.61Å; L12-W28 HydrophobicContact CB-CZ2 4.24Å; L12-W28 HydrophobicContact CB-CZ3 3.99Å; L12-W28 HydrophobicContact CD1-CH2 4.48Å; L12-W28 HydrophobicContact CD1-CZ3 4Å; C14-W28 HydrophobicContact CB-CH2 3.97Å; C14-W28 HydrophobicContact CB-CZ2 3.95Å; W28-M40 HydrophobicContact CB-CB 4.14Å; W28-M40 WeakPolarHBondContact O-CB 3.46Å; W28-M40 PolarHBondContact O-N 2.88Å; W28-G41 PolarHBondContact N-O 3.48Å; W28-F70 AromaticContact CD1-CD2 3.99Å; W28-F70 AromaticContact CD1-CE2 3.78Å; W28-F70 HydrophobicContact CD2-CE2 4.27Å; W28-F70 AromaticContact CE2-CD2 3.86Å; W28-F70 AromaticContact CE2-CE2 3.61Å; W28-F70 HydrophobicContact CG-CE2 4.37Å; W28-F70 HydrophobicContact CZ2-CD2 4.23Å; W28-F70 HydrophobicContact CZ2-CE2 4.08Å; W28-F70 AromaticContact NE1-CD2 3.25Å; W28-F70 AromaticContact NE1-CE2 3.28Å; W28-F70 VanDerWaalsContact NE1-CE2 3.28Å; W28-L72 HydrophobicContact CB-CD1 4.29Å; W28-L72 HydrophobicContact CB-CD2 4.36Å; W28-L72 HydrophobicContact CD2-CB 3.68Å; W28-L72 HydrophobicContact CD2-CD2 4.09Å; W28-L72 HydrophobicContact CD2-CG 4.37Å; W28-L72 VanDerWaalsContact CE2-CB 3.47Å; W28-L72 HydrophobicContact CE3-CB 4.29Å; W28-L72 HydrophobicContact CE3-CD2 4.18Å; W28-L72 HydrophobicContact CG-CB 3.93Å; W28-L72 HydrophobicContact CG-CD1 4.09Å; W28-L72 HydrophobicContact CG-CD2 4.18Å; W28-L72 HydrophobicContact CG-CG 4.31Å; W28-L72 HydrophobicContact CH2-CB 4.49Å; W28-L72 HydrophobicContact CZ2-CB 3.91Å
29	I	93.3	Very high	89.4	Confident	10 Å²	10	47.7 Å²	47.7	5%	0.051	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	130.8	-179.9	-56.2	173.2	0	0	0	108.1	L37 E38 Y86 A88 F97	I29-L37 HydrophobicContact CG2-CB 4.2Å; I29-L37 HydrophobicContact CG2-CD2 4.03Å; I29-E38 WeakPolarHBondContact CA-O 3.37Å; I29-Y86 PolarHBondContact N-O 2.99Å; I29-Y86 PolarHBondContact O-N 2.75Å; I29-A88 HydrophobicContact CD1-CB 3.84Å; I29-F97 HydrophobicContact CD1-CD2 4.42Å; I29-F97 HydrophobicContact CD1-CG 4.46Å
30	R	93.3	Very high	90	Very high	8 Å²	8	45.5 Å²	45.5	3%	0.03	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	134.2	171.1	177.5	169.6	66.7	-171.5	11.2	110	F32 L37 E38 M40 D81 I84 Y85	R30-F32 VanDerWaalsContact NE-CZ 3.32Å; R30-L37 CarbonylContact O-C 3.44Å; R30-L37 WeakPolarHBondContact O-CA 3.32Å; R30-E38 IonicContact CZ-OE2 2.89Å; R30-E38 PolarHBondContact N-O 2.6Å; R30-E38 IonicContact NE-OE2 3.69Å; R30-E38 PolarHBondContact NE-OE2 3.34Å; R30-E38 VanDerWaalsContact NE-OE2 3.12Å; R30-E38 IonicContact NH2-OE2 3.51Å; R30-E38 PolarHBondContact NH2-OE2 3.05Å; R30-E38 PolarHBondContact O-N 2.77Å; R30-M40 HydrophobicContact CB-CG 4.18Å; R30-M40 HydrophobicContact CB-SD 3.79Å; R30-D81 IonicContact CZ-OD1 3.12Å; R30-D81 VanDerWaalsContact NH1-CA 3.26Å; R30-D81 IonicContact NH1-OD1 2.75Å; R30-D81 PolarHBondContact NH1-OD1 2.81Å; R30-D81 IonicContact NH2-OD1 3.16Å; R30-I84 CarbonylContact C-O 3.56Å; R30-I84 WeakPolarHBondContact CA-O 3.14Å; R30-Y85 HydrophobicContact CB-CD1 4.4Å; R30-Y85 HydrophobicContact CB-CE1 4.26Å; R30-Y85 WeakPolarHBondContact CD-OH 3.47Å; R30-Y85 HydrophobicContact CG-CE1 4.3Å; R30-Y85 HydrophobicContact CG-CE2 4.32Å; R30-Y85 PolarHBondContact NH1-OH 3.32Å
31	Q	93.1	Very high	90.4	Very high	34 Å²	34	43.5 Å²	43.5	16%	0.159	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	120.5	168.7	-171.2	179.9	40.1	0	0	109.7	N35 K36 L37 G83 I84 Y86	Q31-N35 PolarHBondContact NE2-OD1 2.97Å; Q31-K36 CarbonylContact C-O 3.59Å; Q31-K36 WeakPolarHBondContact CA-O 3.47Å; Q31-L37 HydrophobicContact CB-CD2 3.63Å; Q31-L37 HydrophobicContact CG-CD2 3.73Å; Q31-G83 CarbonylContact O-C 3.48Å; Q31-G83 WeakPolarHBondContact O-CA 3.36Å; Q31-I84 HydrophobicContact CB-CB 4.38Å; Q31-I84 PolarHBondContact N-O 3.06Å; Q31-I84 PolarHBondContact O-N 3.11Å; Q31-Y86 HydrophobicContact CB-CD2 4.22Å; Q31-Y86 HydrophobicContact CB-CE2 3.64Å; Q31-Y86 PolarHBondContact OE1-OH 2.9Å; Q31-Y86 VanDerWaalsContact OE1-OH 3.05Å
32	F	91.1	Very high	90.7	Very high	45 Å²	45	46.5 Å²	46.5	20%	0.197	26%	0.255	C	S	.	.			trans	-78.7	159.8	174.4	-66.4	-86.6	0	0	0	111.6	R30 G34 N35 K36 E38 E80	R30-F32 VanDerWaalsContact NE-CZ 3.32Å; F32-G34 PolarHBondContact O-N 3.49Å; F32-N35 PolarHBondContact O-N 3.1Å; F32-K36 HydrophobicContact CB-CB 4.39Å; F32-K36 HydrophobicContact CD2-CB 4.35Å; F32-K36 HydrophobicContact CD2-CD 4.4Å; F32-K36 HydrophobicContact CD2-CG 4.36Å; F32-K36 PolarHBondContact N-O 2.93Å; F32-E38 HydrophobicContact CE2-CB 3.71Å; F32-E38 WeakPolarHBondContact CZ-OE2 3.45Å; F32-E80 VanDerWaalsContact CE1-O 3.3Å; F32-E80 WeakPolarHBondContact CE1-O 3.34Å
33	P	86.6	Confident	91	Very high	108 Å²	108	43.6 Å²	43.6	70%	0.701	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.1	129.3	161.2	-23.9	34.1	0	0	0	110.2
34	G	88.4	Confident	91.5	Very high	73 Å²	73	42.3 Å²	42.3	75%	0.753	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.1	14.7	-172.4	0	0	0	0	0	115.2	F32 K36	F32-G34 PolarHBondContact O-N 3.49Å; G34-K36 PolarHBondContact O-N 3.05Å
35	N	85.3	Confident	91.7	Very high	125 Å²	125	47.8 Å²	47.8	67%	0.668	24%	0.244	S	C	*	.	S	Bend	trans	66.7	10.6	171	-59.3	-43.6	0	0	0	116.5	Q31 F32 L37	Q31-N35 PolarHBondContact NE2-OD1 2.97Å; F32-N35 PolarHBondContact O-N 3.1Å; N35-L37 PolarHBondContact O-N 2.87Å
36	K	91.4	Very high	91.7	Very high	144 Å²	144	49.6 Å²	49.6	63%	0.626	26%	0.262	S	S	*	.			trans	-68.9	127.8	171.9	-177.4	-177.3	177.7	-173.8	0	109.8	Q31 F32 G34	Q31-K36 CarbonylContact C-O 3.59Å; Q31-K36 WeakPolarHBondContact CA-O 3.47Å; F32-K36 HydrophobicContact CB-CB 4.39Å; F32-K36 HydrophobicContact CD2-CB 4.35Å; F32-K36 HydrophobicContact CD2-CD 4.4Å; F32-K36 HydrophobicContact CD2-CG 4.36Å; F32-K36 PolarHBondContact N-O 2.93Å; G34-K36 PolarHBondContact O-N 3.05Å
37	L	91.6	Very high	91.8	Very high	82 Å²	82	51 Å²	51	43%	0.429	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	142.6	175.1	-62.2	174.3	0	0	0	111	I29 R30 Q31 N35	I29-L37 HydrophobicContact CG2-CB 4.2Å; I29-L37 HydrophobicContact CG2-CD2 4.03Å; R30-L37 CarbonylContact O-C 3.44Å; R30-L37 WeakPolarHBondContact O-CA 3.32Å; Q31-L37 HydrophobicContact CB-CD2 3.63Å; Q31-L37 HydrophobicContact CG-CD2 3.73Å; N35-L37 PolarHBondContact O-N 2.87Å
38	E	93.5	Very high	91.8	Very high	40 Å²	40	53.9 Å²	53.9	19%	0.187	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	119	172.7	176.5	178.3	-121.3	0	0	109.3	I29 R30 F32 L55	I29-E38 WeakPolarHBondContact CA-O 3.37Å; R30-E38 IonicContact CZ-OE2 2.89Å; R30-E38 PolarHBondContact N-O 2.6Å; R30-E38 IonicContact NE-OE2 3.69Å; R30-E38 PolarHBondContact NE-OE2 3.34Å; R30-E38 VanDerWaalsContact NE-OE2 3.12Å; R30-E38 IonicContact NH2-OE2 3.51Å; R30-E38 PolarHBondContact NH2-OE2 3.05Å; R30-E38 PolarHBondContact O-N 2.77Å; F32-E38 HydrophobicContact CE2-CB 3.71Å; F32-E38 WeakPolarHBondContact CZ-OE2 3.45Å; E38-L55 HydrophobicContact CG-CD1 4.45Å
39	W	93.3	Very high	91.9	Very high	80 Å²	80	56.4 Å²	56.4	30%	0.303	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	129.8	169.6	175.8	80.9	0	0	0	109.3	N27 G41 Y42 N52	N27-W39 PolarHBondContact OD1-NE1 2.97Å; W39-G41 VanDerWaalsContact CZ2-C 3.5Å; W39-G41 PolarHBondContact NE1-O 2.84Å; W39-Y42 HydrophobicContact CH2-CD1 4.47Å; W39-Y42 AromaticContact CZ2-CD1 3.59Å; W39-Y42 HydrophobicContact CZ2-CD1 3.59Å; W39-Y42 HydrophobicContact CZ2-CE1 4.27Å; W39-Y42 HydrophobicContact CZ2-CG 4.37Å; W39-N52 HydrophobicContact CE3-CB 4Å; W39-N52 HydrophobicContact CZ3-CB 4.11Å; W39-N52 VanDerWaalsContact CZ3-N 3.34Å; W39-N52 VanDerWaalsContact O-CB 3.29Å; W39-N52 WeakPolarHBondContact O-CB 3.16Å; W39-N52 PolarHBondContact O-ND2 3.07Å
40	M	94.9	Very high	91.9	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-37	-175.9	-60.7	-173.6	71.8	0	0	112.1	W28 R30 N52 L55 I59 L72 L74 Y85	W28-M40 HydrophobicContact CB-CB 4.14Å; W28-M40 WeakPolarHBondContact O-CB 3.46Å; W28-M40 PolarHBondContact O-N 2.88Å; R30-M40 HydrophobicContact CB-CG 4.18Å; R30-M40 HydrophobicContact CB-SD 3.79Å; M40-N52 PolarHBondContact O-N 2.91Å; M40-L55 HydrophobicContact CB-CD1 4.33Å; M40-L55 HydrophobicContact CE-CD1 4.28Å; M40-L55 HydrophobicContact CG-CD1 4.11Å; M40-I59 HydrophobicContact CB-CD1 3.9Å; M40-I59 HydrophobicContact CE-CD1 3.37Å; M40-I59 HydrophobicContact CE-CG1 4.22Å; M40-L72 HydrophobicContact CE-CD1 4.47Å; M40-L72 HydrophobicContact CE-CD2 3.77Å; M40-L72 HydrophobicContact SD-CD2 3.84Å; M40-L74 HydrophobicContact CE-CD2 4.46Å; M40-Y85 HydrophobicContact CE-CD1 4.45Å; M40-Y85 HydrophobicContact CE-CE1 3.79Å; M40-Y85 HydrophobicContact SD-CD1 3.72Å; M40-Y85 HydrophobicContact SD-CE1 3.56Å; M40-Y85 VanDerWaalsContact SD-CE1 3.56Å
41	G	94.9	Very high	92.1	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.2	173	-176.3	0	0	0	0	0	112	N27 W28 W39 S50 I61	N27-G41 WeakPolarHBondContact CA-O 3.44Å; W28-G41 PolarHBondContact N-O 3.48Å; W39-G41 VanDerWaalsContact CZ2-C 3.5Å; W39-G41 PolarHBondContact NE1-O 2.84Å; G41-S50 CarbonylContact C-O 3.5Å; G41-S50 WeakPolarHBondContact CA-O 3.45Å; G41-I61 VanDerWaalsContact C-CD1 3.43Å
42	Y	94.1	Very high	92.1	Very high	65 Å²	65	59.5 Å²	59.5	26%	0.255	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	161.3	171	73.2	-112.7	0	0	0	112.4	Y25 W26 N27 W39 N44 T49 S50	Y25-Y42 HydrophobicContact CD1-CD1 4.5Å; Y25-Y42 AromaticContact CD1-CD2 3.69Å; Y25-Y42 HydrophobicContact CD1-CD2 3.69Å; Y25-Y42 HydrophobicContact CD1-CE1 4.44Å; Y25-Y42 AromaticContact CD1-CE2 3.62Å; Y25-Y42 HydrophobicContact CD1-CE2 3.62Å; Y25-Y42 HydrophobicContact CD1-CG 4.2Å; Y25-Y42 HydrophobicContact CE1-CD2 4.35Å; Y25-Y42 AromaticContact CE1-CE2 3.81Å; Y25-Y42 HydrophobicContact CE1-CE2 3.81Å; W26-Y42 CarbonylContact O-C 3.49Å; W26-Y42 WeakPolarHBondContact O-CA 3.4Å; W26-Y42 WeakPolarHBondContact O-CB 3.34Å; N27-Y42 WeakPolarHBondContact OD1-CB 3.43Å; W39-Y42 HydrophobicContact CH2-CD1 4.47Å; W39-Y42 AromaticContact CZ2-CD1 3.59Å; W39-Y42 HydrophobicContact CZ2-CD1 3.59Å; W39-Y42 HydrophobicContact CZ2-CE1 4.27Å; W39-Y42 HydrophobicContact CZ2-CG 4.37Å; Y42-N44 HydrophobicContact CD2-CB 4.39Å; Y42-N44 HydrophobicContact CE2-CB 4.21Å; Y42-T49 VanDerWaalsContact O-CA 3.25Å; Y42-T49 WeakPolarHBondContact O-CA 3.34Å; Y42-S50 VanDerWaalsContact CZ-CB 3.42Å; Y42-S50 PolarHBondContact N-O 3.33Å; Y42-S50 PolarHBondContact O-N 2.7Å; Y42-S50 VanDerWaalsContact O-N 3.08Å
43	I	94.4	Very high	92.3	Very high	8 Å²	8	62.6 Å²	62.6	4%	0.041	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	130.3	160.3	-170.1	162	0	0	0	109.2	W26 S48 T49 I61 R63 F70	W26-I43 HydrophobicContact CB-CG2 4.23Å; W26-I43 PolarHBondContact N-O 2.63Å; W26-I43 PolarHBondContact O-N 2.87Å; I43-S48 WeakPolarHBondContact CA-O 3.36Å; I43-T49 HydrophobicContact CB-CG2 3.98Å; I43-T49 HydrophobicContact CD1-CG2 3.91Å; I43-T49 HydrophobicContact CG1-CG2 3.84Å; I43-I61 HydrophobicContact CB-CG2 3.71Å; I43-I61 HydrophobicContact CG2-CG2 3.68Å; I43-R63 HydrophobicContact CD1-CB 4Å; I43-R63 HydrophobicContact CD1-CG 3.76Å; I43-F70 HydrophobicContact CG2-CB 4.3Å; I43-F70 HydrophobicContact CG2-CD2 4.47Å
44	N	91.8	Very high	92.5	Very high	12 Å²	12	62 Å²	62	6%	0.064	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	175.7	-179.7	77.8	-2	0	0	0	111.9	G24 Y25 Y42 S46 G47 S48 R63	G24-N44 CarbonylContact O-C 3.59Å; G24-N44 WeakPolarHBondContact O-CA 3.49Å; Y25-N44 HydrophobicContact CD1-CB 3.6Å; Y25-N44 HydrophobicContact CE1-CB 3.53Å; Y25-N44 HydrophobicContact CG-CB 4.27Å; Y42-N44 HydrophobicContact CD2-CB 4.39Å; Y42-N44 HydrophobicContact CE2-CB 4.21Å; N44-S46 VanDerWaalsContact CG-OG 3.3Å; N44-S46 PolarHBondContact ND2-OG 2.9Å; N44-S46 PolarHBondContact O-N 2.87Å; N44-S46 WeakPolarHBondContact OD1-CA 3.33Å; N44-S46 PolarHBondContact OD1-N 3.04Å; N44-S46 PolarHBondContact OD1-OG 3.44Å; N44-G47 WeakPolarHBondContact O-CA 3.34Å; N44-G47 PolarHBondContact O-N 3.25Å; N44-G47 PolarHBondContact OD1-N 2.96Å; N44-S48 PolarHBondContact N-O 2.89Å; N44-S48 WeakPolarHBondContact OD1-CA 3.29Å; N44-S48 WeakPolarHBondContact OD1-CB 3.5Å; N44-S48 PolarHBondContact OD1-N 3.29Å; N44-S48 PolarHBondContact OD1-O 2.91Å; N44-R63 PolarHBondContact O-NH1 2.87Å
45	Y	88.2	Confident	92.7	Very high	126 Å²	126	58.9 Å²	58.9	49%	0.494	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-23.9	177.1	67.7	-87.5	0	0	0	115	T22 G24 G47 R63	T22-Y45 WeakPolarHBondContact O-CB 3.37Å; G24-Y45 PolarHBondContact O-N 3.12Å; Y45-G47 VanDerWaalsContact C-N 3.33Å; Y45-R63 VanDerWaalsContact CA-NH1 3.34Å; Y45-R63 VanDerWaalsContact O-CZ 3.23Å; Y45-R63 PolarHBondContact O-NH1 2.75Å; Y45-R63 PolarHBondContact O-NH2 2.88Å
46	S	90.5	Very high	93	Very high	71 Å²	71	59.5 Å²	59.5	50%	0.497	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-5.7	172.7	63	0	0	0	0	113.2	N44 S48 R63	N44-S46 VanDerWaalsContact CG-OG 3.3Å; N44-S46 PolarHBondContact ND2-OG 2.9Å; N44-S46 PolarHBondContact O-N 2.87Å; N44-S46 WeakPolarHBondContact OD1-CA 3.33Å; N44-S46 PolarHBondContact OD1-N 3.04Å; N44-S46 PolarHBondContact OD1-OG 3.44Å; S46-S48 VanDerWaalsContact C-N 3.34Å; S46-S48 PolarHBondContact OG-OG 2.95Å; S46-S48 VanDerWaalsContact OG-OG 3.1Å; S46-R63 VanDerWaalsContact C-NH2 3.32Å
47	G	91.3	Very high	93.1	Very high	30 Å²	30	58.1 Å²	58.1	31%	0.309	33%	0.326	S	S	.	.	S	Bend	trans	86	5.6	-176.8	0	0	0	0	0	113.7	N44 Y45	N44-G47 WeakPolarHBondContact O-CA 3.34Å; N44-G47 PolarHBondContact O-N 3.25Å; N44-G47 PolarHBondContact OD1-N 2.96Å; Y45-G47 VanDerWaalsContact C-N 3.33Å
48	S	93.4	Very high	93.3	Very high	65 Å²	65	56.7 Å²	56.7	46%	0.455	32%	0.315	S	S	.	.			trans	-73.1	136.5	173.8	-51.6	0	0	0	0	110.1	I43 N44 S46	I43-S48 WeakPolarHBondContact CA-O 3.36Å; N44-S48 PolarHBondContact N-O 2.89Å; N44-S48 WeakPolarHBondContact OD1-CA 3.29Å; N44-S48 WeakPolarHBondContact OD1-CB 3.5Å; N44-S48 PolarHBondContact OD1-N 3.29Å; N44-S48 PolarHBondContact OD1-O 2.91Å; S46-S48 VanDerWaalsContact C-N 3.34Å; S46-S48 PolarHBondContact OG-OG 2.95Å; S46-S48 VanDerWaalsContact OG-OG 3.1Å
49	T	95.3	Very high	93.3	Very high	58 Å²	58	55.2 Å²	55.2	36%	0.356	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	149.1	-177.5	51.5	0	0	0	0	112.1	Y42 I43 Y51 I61	Y42-T49 VanDerWaalsContact O-CA 3.25Å; Y42-T49 WeakPolarHBondContact O-CA 3.34Å; I43-T49 HydrophobicContact CB-CG2 3.98Å; I43-T49 HydrophobicContact CD1-CG2 3.91Å; I43-T49 HydrophobicContact CG1-CG2 3.84Å; T49-Y51 PolarHBondContact OG1-OH 2.9Å; T49-I61 HydrophobicContact CG2-CB 4.4Å
50	S	94.6	Very high	93.5	Very high	42 Å²	42	53.2 Å²	53.2	29%	0.294	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	147.7	166.7	-171.2	0	0	0	0	108.8	G41 Y42	G41-S50 CarbonylContact C-O 3.5Å; G41-S50 WeakPolarHBondContact CA-O 3.45Å; Y42-S50 VanDerWaalsContact CZ-CB 3.42Å; Y42-S50 PolarHBondContact N-O 3.33Å; Y42-S50 PolarHBondContact O-N 2.7Å; Y42-S50 VanDerWaalsContact O-N 3.08Å
51	Y	95.5	Very high	93.5	Very high	46 Å²	46	53.4 Å²	53.4	18%	0.18	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	150.8	-173.2	-56.5	-72.1	0	0	0	110.4	T49 P53 K56 I59 I61	T49-Y51 PolarHBondContact OG1-OH 2.9Å; Y51-P53 WeakPolarHBondContact O-CD 3.32Å; Y51-K56 HydrophobicContact CD2-CG 4.1Å; Y51-K56 HydrophobicContact CG-CG 4.38Å; Y51-I59 HydrophobicContact CD1-CB 4.39Å; Y51-I59 HydrophobicContact CD1-CG2 3.86Å; Y51-I59 HydrophobicContact CE1-CG2 3.93Å; Y51-I61 HydrophobicContact CD1-CD1 4.18Å; Y51-I61 HydrophobicContact CE1-CB 4.17Å; Y51-I61 HydrophobicContact CE1-CD1 4Å; Y51-I61 HydrophobicContact CE1-CG1 3.93Å; Y51-I61 PolarHBondContact OH-N 2.96Å
52	N	94.6	Very high	93.6	Very high	29 Å²	29	56.7 Å²	56.7	16%	0.155	33%	0.327	C	S	.	.			trans	-61.6	125.2	164.8	-175.6	-32.8	0	0	0	109.2	W39 M40 S54 L55 K56	W39-N52 HydrophobicContact CE3-CB 4Å; W39-N52 HydrophobicContact CZ3-CB 4.11Å; W39-N52 VanDerWaalsContact CZ3-N 3.34Å; W39-N52 VanDerWaalsContact O-CB 3.29Å; W39-N52 WeakPolarHBondContact O-CB 3.16Å; W39-N52 PolarHBondContact O-ND2 3.07Å; M40-N52 PolarHBondContact O-N 2.91Å; N52-S54 PolarHBondContact O-N 3.21Å; N52-S54 VanDerWaalsContact O-N 3.11Å; N52-S54 PolarHBondContact OD1-N 3.45Å; N52-L55 HydrophobicContact CB-CB 4.46Å; N52-L55 HydrophobicContact CB-CD1 4.28Å; N52-L55 HydrophobicContact CB-CG 4.49Å; N52-L55 PolarHBondContact O-N 3.23Å; N52-K56 PolarHBondContact O-N 2.99Å
53	P	94	Very high	93.6	Very high	111 Å²	111	57 Å²	57	72%	0.721	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-36.7	-178.6	-28.9	35.6	0	0	0	113.9	Y51 L55	Y51-P53 WeakPolarHBondContact O-CD 3.32Å; P53-L55 PolarHBondContact O-N 2.87Å
54	S	91.3	Very high	93.6	Very high	96 Å²	96	58.6 Å²	58.6	67%	0.671	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-19.8	179.9	-59.4	0	0	0	0	113.8	N52	N52-S54 PolarHBondContact O-N 3.21Å; N52-S54 VanDerWaalsContact O-N 3.11Å; N52-S54 PolarHBondContact OD1-N 3.45Å
55	L	92.4	Very high	93.6	Very high	6 Å²	6	61.8 Å²	61.8	3%	0.031	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-7.1	-174.7	-57.1	171.1	0	0	0	113.2	E38 M40 N52 P53 S57 R58 I59	E38-L55 HydrophobicContact CG-CD1 4.45Å; M40-L55 HydrophobicContact CB-CD1 4.33Å; M40-L55 HydrophobicContact CE-CD1 4.28Å; M40-L55 HydrophobicContact CG-CD1 4.11Å; N52-L55 HydrophobicContact CB-CB 4.46Å; N52-L55 HydrophobicContact CB-CD1 4.28Å; N52-L55 HydrophobicContact CB-CG 4.49Å; N52-L55 PolarHBondContact O-N 3.23Å; P53-L55 PolarHBondContact O-N 2.87Å; L55-S57 PolarHBondContact O-N 2.89Å; L55-R58 PolarHBondContact O-N 2.86Å; L55-I59 HydrophobicContact CB-CD1 3.33Å; L55-I59 HydrophobicContact CB-CG1 3.96Å; L55-I59 HydrophobicContact CD1-CD1 3.75Å; L55-I59 HydrophobicContact CG-CD1 4.09Å; L55-I59 PolarHBondContact O-N 2.95Å
56	K	92	Very high	93.8	Very high	139 Å²	139	60.7 Å²	60.7	60%	0.604	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-30.1	-173.2	-174.4	175.2	-178.3	-178.8	0	114.4	Y51 N52 R58	Y51-K56 HydrophobicContact CD2-CG 4.1Å; Y51-K56 HydrophobicContact CG-CG 4.38Å; N52-K56 PolarHBondContact O-N 2.99Å; K56-R58 VanDerWaalsContact C-N 3.34Å
57	S	93.9	Very high	93.9	Very high	114 Å²	114	63.6 Å²	63.6	80%	0.797	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-17.8	178.4	57.3	0	0	0	0	113.9	L55	L55-S57 PolarHBondContact O-N 2.89Å
58	R	94.6	Very high	93.9	Very high	52 Å²	52	63.8 Å²	63.8	20%	0.196	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-19	-173.6	-57.9	-166.1	-60.6	128.5	-1.6	113.3	L55 K56 L74 N75 S76 D81	L55-R58 PolarHBondContact O-N 2.86Å; K56-R58 VanDerWaalsContact C-N 3.34Å; R58-L74 HydrophobicContact CB-CD1 3.97Å; R58-N75 PolarHBondContact O-N 2.05Å; R58-S76 PolarHBondContact NH1-O 2.91Å; R58-D81 IonicContact CZ-OD1 3.65Å; R58-D81 IonicContact CZ-OD2 2.56Å; R58-D81 IonicContact NH1-OD1 3.19Å; R58-D81 IonicContact NH1-OD2 3.1Å; R58-D81 PolarHBondContact NH1-OD2 2.92Å; R58-D81 IonicContact NH2-OD1 3.6Å; R58-D81 PolarHBondContact NH2-OD1 2.81Å; R58-D81 IonicContact NH2-OD2 3.49Å
59	I	95.3	Very high	93.9	Very high	10 Å²	10	62.7 Å²	62.7	5%	0.051	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	140.9	-174.5	-66.5	178.9	0	0	0	112	M40 Y51 L55 I61 L72 Q73 L74	M40-I59 HydrophobicContact CB-CD1 3.9Å; M40-I59 HydrophobicContact CE-CD1 3.37Å; M40-I59 HydrophobicContact CE-CG1 4.22Å; Y51-I59 HydrophobicContact CD1-CB 4.39Å; Y51-I59 HydrophobicContact CD1-CG2 3.86Å; Y51-I59 HydrophobicContact CE1-CG2 3.93Å; L55-I59 HydrophobicContact CB-CD1 3.33Å; L55-I59 HydrophobicContact CB-CG1 3.96Å; L55-I59 HydrophobicContact CD1-CD1 3.75Å; L55-I59 HydrophobicContact CG-CD1 4.09Å; L55-I59 PolarHBondContact O-N 2.95Å; I59-I61 HydrophobicContact CG2-CD1 4.41Å; I59-I61 HydrophobicContact CG2-CG1 3.97Å; I59-L72 HydrophobicContact CD1-CD1 4.5Å; I59-L72 HydrophobicContact CG2-CD1 3.42Å; I59-L72 VanDerWaalsContact CG2-CD1 3.42Å; I59-Q73 CarbonylContact C-O 3.54Å; I59-Q73 VanDerWaalsContact CA-O 3.31Å; I59-Q73 WeakPolarHBondContact CA-O 3.38Å; I59-L74 HydrophobicContact CD1-CD1 4.37Å; I59-L74 HydrophobicContact CG1-CD1 3.61Å
60	S	96.3	Very high	93.8	Very high	37 Å²	37	60 Å²	60	26%	0.259	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	133.6	161.5	-178.3	0	0	0	0	109.8	Q73	S60-Q73 PolarHBondContact N-O 2.8Å; S60-Q73 PolarHBondContact O-N 3.49Å
61	I	96.2	Very high	93.8	Very high	5 Å²	5	60 Å²	60	3%	0.026	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	128.2	175.2	-61.7	167.5	0	0	0	108.3	G41 I43 T49 Y51 I59 F71 L72	G41-I61 VanDerWaalsContact C-CD1 3.43Å; I43-I61 HydrophobicContact CB-CG2 3.71Å; I43-I61 HydrophobicContact CG2-CG2 3.68Å; T49-I61 HydrophobicContact CG2-CB 4.4Å; Y51-I61 HydrophobicContact CD1-CD1 4.18Å; Y51-I61 HydrophobicContact CE1-CB 4.17Å; Y51-I61 HydrophobicContact CE1-CD1 4Å; Y51-I61 HydrophobicContact CE1-CG1 3.93Å; Y51-I61 PolarHBondContact OH-N 2.96Å; I59-I61 HydrophobicContact CG2-CD1 4.41Å; I59-I61 HydrophobicContact CG2-CG1 3.97Å; I61-F71 VanDerWaalsContact CA-O 3.32Å; I61-F71 WeakPolarHBondContact CA-O 3.42Å; I61-L72 HydrophobicContact CD1-CD1 4.37Å; I61-L72 HydrophobicContact CG1-CD1 3.77Å
62	T	95.4	Very high	93.9	Very high	68 Å²	68	57.8 Å²	57.8	42%	0.417	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	169.6	-179.9	64.3	0	0	0	0	110.9	F70 F71	T62-F70 CarbonylContact O-C 3.55Å; T62-F70 VanDerWaalsContact O-CA 3.32Å; T62-F70 WeakPolarHBondContact O-CA 3.37Å; T62-F70 WeakPolarHBondContact O-CB 3.43Å; T62-F71 PolarHBondContact N-O 2.83Å; T62-F71 VanDerWaalsContact N-O 3.08Å; T62-F71 PolarHBondContact O-N 3.04Å
63	R	94.2	Very high	93.9	Very high	72 Å²	72	60.4 Å²	60.4	27%	0.272	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	151.9	178.7	69.3	179.5	-174.8	170	3	112.6	I21 I43 N44 Y45 S46 Q69 F70	I21-R63 HydrophobicContact CD1-CB 3.91Å; I43-R63 HydrophobicContact CD1-CB 4Å; I43-R63 HydrophobicContact CD1-CG 3.76Å; N44-R63 PolarHBondContact O-NH1 2.87Å; Y45-R63 VanDerWaalsContact CA-NH1 3.34Å; Y45-R63 VanDerWaalsContact O-CZ 3.23Å; Y45-R63 PolarHBondContact O-NH1 2.75Å; Y45-R63 PolarHBondContact O-NH2 2.88Å; S46-R63 VanDerWaalsContact C-NH2 3.32Å; R63-Q69 WeakPolarHBondContact CA-O 3.43Å; R63-F70 HydrophobicContact CB-CB 4.11Å
64	D	94.1	Very high	93.9	Very high	41 Å²	41	55.1 Å²	55.1	22%	0.219	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	100.6	170.4	-176.2	-14.3	0	0	0	108.5	I21 S66 K67 N68 Q69 F71	I21-D64 WeakPolarHBondContact CD1-O 3Å; D64-S66 PolarHBondContact O-N 2.77Å; D64-S66 WeakPolarHBondContact OD1-CB 3.31Å; D64-S66 PolarHBondContact OD1-N 3.29Å; D64-S66 PolarHBondContact OD1-OG 2.95Å; D64-K67 HydrophobicContact CB-CB 4.42Å; D64-K67 PolarHBondContact O-N 2.86Å; D64-K67 PolarHBondContact OD1-N 3.1Å; D64-K67 VanDerWaalsContact OD2-CD 3.22Å; D64-K67 WeakPolarHBondContact OD2-CD 2.92Å; D64-K67 WeakPolarHBondContact OD2-CE 3.4Å; D64-K67 WeakPolarHBondContact OD2-CG 3.09Å; D64-K67 IonicContact OD2-NZ 2.7Å; D64-N68 PolarHBondContact O-N 3.5Å; D64-Q69 PolarHBondContact N-O 3.41Å; D64-Q69 PolarHBondContact O-N 3.35Å; D64-F71 HydrophobicContact CB-CE2 3.79Å; D64-F71 HydrophobicContact CB-CZ 4.29Å
65	T	92.1	Very high	94	Very high	80 Å²	80	53.1 Å²	53.1	49%	0.491	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-21.8	-178.8	54.6	0	0	0	0	112.6	I21 T22 K67	I21-T65 HydrophobicContact CD1-CG2 3.98Å; I21-T65 HydrophobicContact CG1-CG2 4.14Å; T22-T65 HydrophobicContact CG2-CG2 3.57Å; T65-K67 VanDerWaalsContact C-N 3.3Å
66	S	92.4	Very high	94	Very high	103 Å²	103	56 Å²	56	72%	0.72	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-29.6	176.5	75.6	0	0	0	0	112	D64	D64-S66 PolarHBondContact O-N 2.77Å; D64-S66 WeakPolarHBondContact OD1-CB 3.31Å; D64-S66 PolarHBondContact OD1-N 3.29Å; D64-S66 PolarHBondContact OD1-OG 2.95Å
67	K	93.1	Very high	94	Very high	131 Å²	131	49.4 Å²	49.4	57%	0.57	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-1.7	179.2	-62.8	-178.2	-169.8	161.7	0	113.8	D64 T65 Q69	D64-K67 HydrophobicContact CB-CB 4.42Å; D64-K67 PolarHBondContact O-N 2.86Å; D64-K67 PolarHBondContact OD1-N 3.1Å; D64-K67 VanDerWaalsContact OD2-CD 3.22Å; D64-K67 WeakPolarHBondContact OD2-CD 2.92Å; D64-K67 WeakPolarHBondContact OD2-CE 3.4Å; D64-K67 WeakPolarHBondContact OD2-CG 3.09Å; D64-K67 IonicContact OD2-NZ 2.7Å; T65-K67 VanDerWaalsContact C-N 3.3Å; K67-Q69 HydrophobicContact CB-CB 4.27Å; K67-Q69 HydrophobicContact CB-CG 4.18Å; K67-Q69 PolarHBondContact O-N 3.11Å
68	N	91.8	Very high	93.8	Very high	34 Å²	34	46.2 Å²	46.2	18%	0.182	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	42.8	-174	-156	37	0	0	0	112.9	V16 D19 S20 I21 D64	V16-N68 PolarHBondContact N-O 3.05Å; V16-N68 PolarHBondContact O-ND2 2.86Å; D19-N68 PolarHBondContact O-ND2 2.84Å; S20-N68 WeakPolarHBondContact CA-OD1 3.3Å; I21-N68 PolarHBondContact N-OD1 2.86Å; D64-N68 PolarHBondContact O-N 3.5Å
69	Q	93.4	Very high	93.6	Very high	43 Å²	43	47.1 Å²	47.1	20%	0.201	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	149.7	-175	-79.2	171.2	-10.3	0	0	111.9	T13 C14 S15 I21 R63 D64 K67 F71	T13-Q69 HydrophobicContact CG2-CB 4.38Å; T13-Q69 HydrophobicContact CG2-CG 4.12Å; C14-Q69 VanDerWaalsContact O-CA 3.32Å; C14-Q69 WeakPolarHBondContact O-CA 3.46Å; S15-Q69 PolarHBondContact OG-NE2 2.99Å; I21-Q69 WeakPolarHBondContact CD1-O 3.28Å; R63-Q69 WeakPolarHBondContact CA-O 3.43Å; D64-Q69 PolarHBondContact N-O 3.41Å; D64-Q69 PolarHBondContact O-N 3.35Å; K67-Q69 HydrophobicContact CB-CB 4.27Å; K67-Q69 HydrophobicContact CB-CG 4.18Å; K67-Q69 PolarHBondContact O-N 3.11Å; Q69-F71 HydrophobicContact CB-CE1 4.36Å; Q69-F71 HydrophobicContact CB-CE2 4.06Å; Q69-F71 HydrophobicContact CB-CZ 3.69Å
70	F	93.6	Very high	93.2	Very high	1 Å²	1	52.9 Å²	52.9	0%	0.004	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	152.8	166.9	70.3	-79.4	0	0	0	111.1	C14 V16 I21 W26 W28 I43 T62 R63 C87	C14-F70 HydrophobicContact CB-CD1 4Å; C14-F70 HydrophobicContact CB-CE1 3.56Å; C14-F70 HydrophobicContact CB-CE2 4.23Å; C14-F70 HydrophobicContact CB-CZ 3.71Å; C14-F70 PolarHBondContact N-O 2.87Å; C14-F70 PolarHBondContact O-N 2.87Å; C14-F70 VanDerWaalsContact SG-CE1 3.59Å; V16-F70 HydrophobicContact CG2-CD1 4.23Å; V16-F70 HydrophobicContact CG2-CE1 3.96Å; I21-F70 HydrophobicContact CG2-CD1 4.16Å; W26-F70 HydrophobicContact CB-CD1 4.17Å; W26-F70 HydrophobicContact CB-CD2 4.19Å; W26-F70 HydrophobicContact CB-CE1 3.95Å; W26-F70 HydrophobicContact CB-CE2 3.98Å; W26-F70 HydrophobicContact CB-CG 4.26Å; W26-F70 HydrophobicContact CB-CZ 3.82Å; W26-F70 HydrophobicContact CD2-CD1 4.49Å; W26-F70 HydrophobicContact CD2-CE1 4.01Å; W26-F70 HydrophobicContact CD2-CZ 4.47Å; W26-F70 HydrophobicContact CE3-CD1 4.43Å; W26-F70 AromaticContact CE3-CE1 3.56Å; W26-F70 HydrophobicContact CE3-CE1 3.56Å; W26-F70 AromaticContact CE3-CZ 3.94Å; W26-F70 HydrophobicContact CE3-CZ 3.94Å; W26-F70 HydrophobicContact CG-CD1 4.39Å; W26-F70 HydrophobicContact CG-CE1 4.19Å; W26-F70 HydrophobicContact CG-CZ 4.48Å; W26-F70 HydrophobicContact CZ3-CE1 4.37Å; W28-F70 AromaticContact CD1-CD2 3.99Å; W28-F70 AromaticContact CD1-CE2 3.78Å; W28-F70 HydrophobicContact CD2-CE2 4.27Å; W28-F70 AromaticContact CE2-CD2 3.86Å; W28-F70 AromaticContact CE2-CE2 3.61Å; W28-F70 HydrophobicContact CG-CE2 4.37Å; W28-F70 HydrophobicContact CZ2-CD2 4.23Å; W28-F70 HydrophobicContact CZ2-CE2 4.08Å; W28-F70 AromaticContact NE1-CD2 3.25Å; W28-F70 AromaticContact NE1-CE2 3.28Å; W28-F70 VanDerWaalsContact NE1-CE2 3.28Å; I43-F70 HydrophobicContact CG2-CB 4.3Å; I43-F70 HydrophobicContact CG2-CD2 4.47Å; T62-F70 CarbonylContact O-C 3.55Å; T62-F70 VanDerWaalsContact O-CA 3.32Å; T62-F70 WeakPolarHBondContact O-CA 3.37Å; T62-F70 WeakPolarHBondContact O-CB 3.43Å; R63-F70 HydrophobicContact CB-CB 4.11Å; F70-C87 HydrophobicContact CE1-CB 4.12Å; F70-C87 HydrophobicContact CE2-CB 4.12Å; F70-C87 HydrophobicContact CZ-CB 3.37Å
71	F	94.8	Very high	93	Very high	41 Å²	41	51.2 Å²	51.2	18%	0.18	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	146.1	-164.4	-49.6	-89.7	0	0	0	110.8	L12 T13 I61 T62 D64 Q69	L12-F71 CarbonylContact O-C 3.58Å; L12-F71 WeakPolarHBondContact O-CA 3.38Å; T13-F71 HydrophobicContact CG2-CD1 3.81Å; T13-F71 HydrophobicContact CG2-CE1 3.44Å; T13-F71 VanDerWaalsContact CG2-CE1 3.44Å; T13-F71 HydrophobicContact CG2-CZ 4.32Å; T13-F71 VanDerWaalsContact OG1-CD1 3.29Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.38Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.34Å; I61-F71 VanDerWaalsContact CA-O 3.32Å; I61-F71 WeakPolarHBondContact CA-O 3.42Å; T62-F71 PolarHBondContact N-O 2.83Å; T62-F71 VanDerWaalsContact N-O 3.08Å; T62-F71 PolarHBondContact O-N 3.04Å; D64-F71 HydrophobicContact CB-CE2 3.79Å; D64-F71 HydrophobicContact CB-CZ 4.29Å; Q69-F71 HydrophobicContact CB-CE1 4.36Å; Q69-F71 HydrophobicContact CB-CE2 4.06Å; Q69-F71 HydrophobicContact CB-CZ 3.69Å
72	L	95.7	Very high	92.7	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	120.8	168.6	178.9	75	0	0	0	108.5	S11 L12 W28 M40 I59 I61 Y85	S11-L72 CarbonylContact C-O 3.56Å; S11-L72 WeakPolarHBondContact CA-O 3.04Å; L12-L72 HydrophobicContact CB-CB 4.3Å; L12-L72 HydrophobicContact CD1-CD2 4.12Å; L12-L72 PolarHBondContact N-O 3.42Å; L12-L72 PolarHBondContact O-N 3.07Å; W28-L72 HydrophobicContact CB-CD1 4.29Å; W28-L72 HydrophobicContact CB-CD2 4.36Å; W28-L72 HydrophobicContact CD2-CB 3.68Å; W28-L72 HydrophobicContact CD2-CD2 4.09Å; W28-L72 HydrophobicContact CD2-CG 4.37Å; W28-L72 VanDerWaalsContact CE2-CB 3.47Å; W28-L72 HydrophobicContact CE3-CB 4.29Å; W28-L72 HydrophobicContact CE3-CD2 4.18Å; W28-L72 HydrophobicContact CG-CB 3.93Å; W28-L72 HydrophobicContact CG-CD1 4.09Å; W28-L72 HydrophobicContact CG-CD2 4.18Å; W28-L72 HydrophobicContact CG-CG 4.31Å; W28-L72 HydrophobicContact CH2-CB 4.49Å; W28-L72 HydrophobicContact CZ2-CB 3.91Å; M40-L72 HydrophobicContact CE-CD1 4.47Å; M40-L72 HydrophobicContact CE-CD2 3.77Å; M40-L72 HydrophobicContact SD-CD2 3.84Å; I59-L72 HydrophobicContact CD1-CD1 4.5Å; I59-L72 HydrophobicContact CG2-CD1 3.42Å; I59-L72 VanDerWaalsContact CG2-CD1 3.42Å; I61-L72 HydrophobicContact CD1-CD1 4.37Å; I61-L72 HydrophobicContact CG1-CD1 3.77Å; L72-Y85 HydrophobicContact CD2-CD1 3.98Å; L72-Y85 HydrophobicContact CD2-CE1 4.21Å
73	Q	95.2	Very high	92.6	Very high	84 Å²	84	49.7 Å²	49.7	39%	0.393	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	123.6	166.6	-168.5	177.5	26.7	0	0	108.6	T9 L10 I59 S60	T9-Q73 HydrophobicContact CG2-CG 3.46Å; T9-Q73 VanDerWaalsContact CG2-CG 3.46Å; L10-Q73 CarbonylContact O-C 3.53Å; L10-Q73 WeakPolarHBondContact O-CA 3.31Å; I59-Q73 CarbonylContact C-O 3.54Å; I59-Q73 VanDerWaalsContact CA-O 3.31Å; I59-Q73 WeakPolarHBondContact CA-O 3.38Å; S60-Q73 PolarHBondContact N-O 2.8Å; S60-Q73 PolarHBondContact O-N 3.49Å
74	L	94.4	Very high	92.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	113.7	174.3	177.6	65.9	0	0	0	108.7	T9 L10 M40 R58 I59 V77 D81	T9-L74 WeakPolarHBondContact CA-O 3.12Å; L10-L74 HydrophobicContact CB-CB 4.37Å; L10-L74 PolarHBondContact N-O 2.56Å; L10-L74 PolarHBondContact O-N 3.1Å; M40-L74 HydrophobicContact CE-CD2 4.46Å; R58-L74 HydrophobicContact CB-CD1 3.97Å; I59-L74 HydrophobicContact CD1-CD1 4.37Å; I59-L74 HydrophobicContact CG1-CD1 3.61Å; L74-V77 HydrophobicContact CB-CG1 4.47Å; L74-V77 HydrophobicContact CD2-CG1 3.97Å; L74-V77 HydrophobicContact CG-CG1 3.98Å; L74-D81 HydrophobicContact CD2-CB 4.01Å
75	N	93.8	Very high	92.5	Very high	53 Å²	53	46.6 Å²	46.6	28%	0.283	26%	0.257	S	S	.	.			trans	-90	151.8	-179	-63.9	-43.8	0	0	0	111.4	T9 R58 V77	T9-N75 WeakPolarHBondContact CG2-OD1 3.41Å; T9-N75 PolarHBondContact OG1-OD1 2.8Å; R58-N75 PolarHBondContact O-N 2.05Å; N75-V77 PolarHBondContact O-N 3.08Å
76	S	91.5	Very high	92.5	Very high	68 Å²	68	44.6 Å²	44.6	48%	0.476	24%	0.241	S	C	.	.	S	Bend	trans	52.5	57.3	177.6	-54.4	0	0	0	0	111.5	Q8 R58	Q8-S76 PolarHBondContact O-N 3.18Å; R58-S76 PolarHBondContact NH1-O 2.91Å
77	V	91.7	Very high	92.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.21	C	C	.	.			trans	-63.3	142	-179.2	-61.9	0	0	0	0	111.1	V4 K5 P6 S7 Q8 L10 L74 N75 D81 V108	V4-V77 HydrophobicContact CG1-CG2 4.09Å; K5-V77 WeakPolarHBondContact O-CG2 3.46Å; P6-V77 CarbonylContact C-O 3.54Å; P6-V77 WeakPolarHBondContact CA-O 3.46Å; S7-V77 PolarHBondContact N-O 2.86Å; Q8-V77 HydrophobicContact CB-CG2 4.48Å; Q8-V77 WeakPolarHBondContact O-CG2 3.19Å; Q8-V77 PolarHBondContact O-N 2.97Å; Q8-V77 VanDerWaalsContact O-N 3.1Å; L10-V77 HydrophobicContact CB-CG1 3.81Å; L74-V77 HydrophobicContact CB-CG1 4.47Å; L74-V77 HydrophobicContact CD2-CG1 3.97Å; L74-V77 HydrophobicContact CG-CG1 3.98Å; N75-V77 PolarHBondContact O-N 3.08Å; V77-D81 WeakPolarHBondContact CA-OD2 3.32Å; V77-V108 HydrophobicContact CB-CG2 4.3Å; V77-V108 HydrophobicContact CG2-CG1 4.11Å; V77-V108 HydrophobicContact CG2-CG2 4.27Å
78	T	91.4	Very high	92.3	Very high	46 Å²	46	34 Å²	34	28%	0.282	18%	0.183	S	C	.	.			trans	-123.1	166.7	178	68.3	0	0	0	0	110.7	E80 D81 V108	T78-E80 WeakPolarHBondContact CB-OE2 3.14Å; T78-E80 PolarHBondContact O-N 3.35Å; T78-E80 PolarHBondContact OG1-OE2 2.89Å; T78-D81 PolarHBondContact N-OD2 2.95Å; T78-D81 WeakPolarHBondContact O-CB 3.32Å; T78-D81 PolarHBondContact O-N 2.91Å; T78-D81 PolarHBondContact OG1-OD2 2.89Å; T78-V108 WeakPolarHBondContact O-CB 3.22Å
79	P	88.8	Confident	92	Very high	72 Å²	72	32.5 Å²	32.5	47%	0.468	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-54.9	-31.6	175.2	-28.1	37.5	0	0	0	113.5	D81 T82	P79-D81 PolarHBondContact O-N 2.82Å; P79-T82 WeakPolarHBondContact O-CB 3.37Å; P79-T82 PolarHBondContact O-N 3.08Å; P79-T82 VanDerWaalsContact O-N 3.1Å; P79-T82 PolarHBondContact O-OG1 2.87Å
80	E	88.5	Confident	91.4	Very high	131 Å²	131	32 Å²	32	61%	0.612	17%	0.173	S	C	*	.	G	3₁₀ helix	trans	-64.2	-19.2	174.4	-58.2	79.2	-165.2	0	0	112.7	F32 T78 T82	F32-E80 VanDerWaalsContact CE1-O 3.3Å; F32-E80 WeakPolarHBondContact CE1-O 3.34Å; T78-E80 WeakPolarHBondContact CB-OE2 3.14Å; T78-E80 PolarHBondContact O-N 3.35Å; T78-E80 PolarHBondContact OG1-OE2 2.89Å; E80-T82 PolarHBondContact O-N 3.49Å
81	D	90.6	Very high	90.2	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-80.8	1.7	176	-59.9	-48.9	0	0	0	113.5	R30 R58 L74 V77 T78 P79 G83 Y85	R30-D81 IonicContact CZ-OD1 3.12Å; R30-D81 VanDerWaalsContact NH1-CA 3.26Å; R30-D81 IonicContact NH1-OD1 2.75Å; R30-D81 PolarHBondContact NH1-OD1 2.81Å; R30-D81 IonicContact NH2-OD1 3.16Å; R58-D81 IonicContact CZ-OD1 3.65Å; R58-D81 IonicContact CZ-OD2 2.56Å; R58-D81 IonicContact NH1-OD1 3.19Å; R58-D81 IonicContact NH1-OD2 3.1Å; R58-D81 PolarHBondContact NH1-OD2 2.92Å; R58-D81 IonicContact NH2-OD1 3.6Å; R58-D81 PolarHBondContact NH2-OD1 2.81Å; R58-D81 IonicContact NH2-OD2 3.49Å; L74-D81 HydrophobicContact CD2-CB 4.01Å; V77-D81 WeakPolarHBondContact CA-OD2 3.32Å; T78-D81 PolarHBondContact N-OD2 2.95Å; T78-D81 WeakPolarHBondContact O-CB 3.32Å; T78-D81 PolarHBondContact O-N 2.91Å; T78-D81 PolarHBondContact OG1-OD2 2.89Å; P79-D81 PolarHBondContact O-N 2.82Å; D81-G83 PolarHBondContact O-N 3.31Å; D81-Y85 WeakPolarHBondContact O-CE2 3.5Å; D81-Y85 PolarHBondContact O-OH 3.08Å
82	T	91.2	Very high	88.4	Confident	35 Å²	35	44.9 Å²	44.9	22%	0.215	22%	0.223	C	C	.	.			trans	-65.4	129.5	174.4	-66	0	0	0	0	111.2	P79 E80 V108	P79-T82 WeakPolarHBondContact O-CB 3.37Å; P79-T82 PolarHBondContact O-N 3.08Å; P79-T82 VanDerWaalsContact O-N 3.1Å; P79-T82 PolarHBondContact O-OG1 2.87Å; E80-T82 PolarHBondContact O-N 3.49Å; T82-V108 PolarHBondContact OG1-N 3.02Å
83	G	92.8	Very high	86.6	Confident	6 Å²	6	48.9 Å²	48.9	6%	0.062	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169	-174.3	-178.2	0	0	0	0	0	113.1	Q31 D81 L106	Q31-G83 CarbonylContact O-C 3.48Å; Q31-G83 WeakPolarHBondContact O-CA 3.36Å; D81-G83 PolarHBondContact O-N 3.31Å; G83-L106 PolarHBondContact N-O 3.31Å; G83-L106 VanDerWaalsContact N-O 3.1Å; G83-L106 PolarHBondContact O-N 3.34Å
84	I	92.6	Very high	84.9	Confident	46 Å²	46	47.1 Å²	47.1	24%	0.236	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	130.1	172.3	-50.2	175	0	0	0	108.5	R30 Q31 Y86 T104 T105	R30-I84 CarbonylContact C-O 3.56Å; R30-I84 WeakPolarHBondContact CA-O 3.14Å; Q31-I84 HydrophobicContact CB-CB 4.38Å; Q31-I84 PolarHBondContact N-O 3.06Å; Q31-I84 PolarHBondContact O-N 3.11Å; I84-Y86 HydrophobicContact CB-CE2 3.72Å; I84-Y86 HydrophobicContact CG2-CD2 4.25Å; I84-Y86 HydrophobicContact CG2-CE1 3.9Å; I84-Y86 HydrophobicContact CG2-CE2 3.54Å; I84-Y86 WeakPolarHBondContact CG2-OH 3.49Å; I84-T104 WeakPolarHBondContact CA-O 3.49Å; I84-T105 HydrophobicContact CG1-CG2 4.42Å
85	Y	93.1	Very high	83.3	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.008	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	121.3	-177.6	-71.4	-104.6	0	0	0	109.7	L12 R30 M40 L72 D81 G103 T104 L106	L12-Y85 VanDerWaalsContact CD1-CB 3.4Å; L12-Y85 HydrophobicContact CD1-CD1 3.53Å; L12-Y85 HydrophobicContact CD1-CD2 4.22Å; L12-Y85 HydrophobicContact CD1-CE1 4.32Å; L12-Y85 HydrophobicContact CD1-CG 3.45Å; L12-Y85 VanDerWaalsContact CD1-CG 3.45Å; R30-Y85 HydrophobicContact CB-CD1 4.4Å; R30-Y85 HydrophobicContact CB-CE1 4.26Å; R30-Y85 WeakPolarHBondContact CD-OH 3.47Å; R30-Y85 HydrophobicContact CG-CE1 4.3Å; R30-Y85 HydrophobicContact CG-CE2 4.32Å; R30-Y85 PolarHBondContact NH1-OH 3.32Å; M40-Y85 HydrophobicContact CE-CD1 4.45Å; M40-Y85 HydrophobicContact CE-CE1 3.79Å; M40-Y85 HydrophobicContact SD-CD1 3.72Å; M40-Y85 HydrophobicContact SD-CE1 3.56Å; M40-Y85 VanDerWaalsContact SD-CE1 3.56Å; L72-Y85 HydrophobicContact CD2-CD1 3.98Å; L72-Y85 HydrophobicContact CD2-CE1 4.21Å; D81-Y85 WeakPolarHBondContact O-CE2 3.5Å; D81-Y85 PolarHBondContact O-OH 3.08Å; Y85-G103 CarbonylContact O-C 3.53Å; Y85-G103 WeakPolarHBondContact O-CA 3.42Å; Y85-T104 PolarHBondContact N-O 2.68Å; Y85-T104 PolarHBondContact O-N 2.79Å; Y85-L106 HydrophobicContact CD2-CB 3.88Å; Y85-L106 HydrophobicContact CD2-CD2 4.42Å; Y85-L106 HydrophobicContact CE2-CB 3.69Å; Y85-L106 HydrophobicContact CE2-CD2 3.57Å; Y85-L106 HydrophobicContact CE2-CG 4.28Å
86	Y	91.6	Very high	81.8	Confident	39 Å²	39	57.9 Å²	57.9	15%	0.153	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	142.3	-177.8	-62.7	-81	0	0	0	110.9	I29 Q31 I84 G103	I29-Y86 PolarHBondContact N-O 2.99Å; I29-Y86 PolarHBondContact O-N 2.75Å; Q31-Y86 HydrophobicContact CB-CD2 4.22Å; Q31-Y86 HydrophobicContact CB-CE2 3.64Å; Q31-Y86 PolarHBondContact OE1-OH 2.9Å; Q31-Y86 VanDerWaalsContact OE1-OH 3.05Å; I84-Y86 HydrophobicContact CB-CE2 3.72Å; I84-Y86 HydrophobicContact CG2-CD2 4.25Å; I84-Y86 HydrophobicContact CG2-CE1 3.9Å; I84-Y86 HydrophobicContact CG2-CE2 3.54Å; I84-Y86 WeakPolarHBondContact CG2-OH 3.49Å; Y86-G103 VanDerWaalsContact CD1-CA 3.47Å
87	C	91.3	Very high	80.5	Confident	11 Å²	11	58.4 Å²	58.4	7%	0.074	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	136.7	158.8	40.1	0	0	0	0	110.5	C14 N27 F70 W100	C14-C87 HydrophobicContact CB-CB 3.48Å; C14-C87 VanDerWaalsContact CB-CB 3.48Å; C14-C87 WeakPolarHBondContact CB-SG 3.5Å; C14-C87 WeakPolarHBondContact SG-CB 3.45Å; C14-C87 CovalentContact SG-SG 2.05Å; C14-C87 PolarHBondContact SG-SG 2.91Å; N27-C87 WeakPolarHBondContact O-CA 3.25Å; F70-C87 HydrophobicContact CE1-CB 4.12Å; F70-C87 HydrophobicContact CE2-CB 4.12Å; F70-C87 HydrophobicContact CZ-CB 3.37Å; C87-W100 PolarHBondContact O-N 2.96Å
88	A	89.9	Confident	79.4	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	155.9	179.4	0	0	0	0	0	110.5	N27 I29 F97 D98	N27-A88 HydrophobicContact CB-CB 4.38Å; N27-A88 PolarHBondContact N-O 3.08Å; N27-A88 PolarHBondContact O-N 2.75Å; I29-A88 HydrophobicContact CD1-CB 3.84Å; A88-F97 HydrophobicContact CB-CB 4.1Å; A88-F97 HydrophobicContact CB-CD1 4.28Å; A88-F97 HydrophobicContact CB-CG 4.42Å; A88-D98 CarbonylContact C-O 3.52Å; A88-D98 WeakPolarHBondContact CA-O 3.41Å
89	R	86.9	Confident	78.1	Confident	3 Å²	3	66.9 Å²	66.9	1%	0.011	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	145.6	176.6	-167.8	-167.9	-178.4	-177.2	11.9	110.2	D19 S23 Y25 W26 Y91 F97 D98 W100	D19-R89 VanDerWaalsContact CG-CZ 3.44Å; D19-R89 IonicContact OD1-CZ 2.63Å; D19-R89 IonicContact OD1-NH1 3.75Å; D19-R89 IonicContact OD1-NH2 3.67Å; D19-R89 PolarHBondContact OD1-NH2 2.73Å; D19-R89 IonicContact OD2-CZ 2.8Å; D19-R89 IonicContact OD2-NH1 3.6Å; D19-R89 PolarHBondContact OD2-NH1 3.47Å; D19-R89 IonicContact OD2-NH2 3.66Å; D19-R89 PolarHBondContact OD2-NH2 3.36Å; D19-R89 VanDerWaalsContact OD2-NH2 3.1Å; S23-R89 PolarHBondContact O-NE 3.07Å; S23-R89 VanDerWaalsContact O-NE 3.08Å; S23-R89 PolarHBondContact O-NH2 2.72Å; S23-R89 PolarHBondContact OG-NH2 2.82Å; Y25-R89 CarbonylContact O-C 3.56Å; Y25-R89 VanDerWaalsContact O-CA 3.31Å; Y25-R89 WeakPolarHBondContact O-CA 3.4Å; W26-R89 HydrophobicContact CD2-CB 4.45Å; W26-R89 HydrophobicContact CD2-CG 4.18Å; W26-R89 HydrophobicContact CE3-CB 3.96Å; W26-R89 HydrophobicContact CE3-CG 4.17Å; W26-R89 HydrophobicContact CH2-CB 4.02Å; W26-R89 HydrophobicContact CH2-CG 3.91Å; W26-R89 HydrophobicContact CZ2-CB 4.48Å; W26-R89 HydrophobicContact CZ2-CG 3.89Å; W26-R89 HydrophobicContact CZ3-CB 3.73Å; W26-R89 HydrophobicContact CZ3-CG 4.04Å; R89-Y91 VanDerWaalsContact CZ-CZ 3.41Å; R89-Y91 VanDerWaalsContact CZ-OH 3.24Å; R89-Y91 VanDerWaalsContact NH1-CZ 3.35Å; R89-Y91 PolarHBondContact NH1-OH 3.05Å; R89-Y91 PolarHBondContact NH2-OH 2.81Å; R89-F97 CarbonylContact O-C 3.55Å; R89-F97 VanDerWaalsContact O-CA 3.31Å; R89-F97 WeakPolarHBondContact O-CA 3.38Å; R89-D98 HydrophobicContact CB-CB 4.48Å; R89-D98 PolarHBondContact N-O 2.9Å; R89-D98 PolarHBondContact O-N 2.99Å; R89-W100 HydrophobicContact CB-CG 4.1Å
90	D	80.7	Confident	77.1	Confident	31 Å²	31	67.1 Å²	67.1	17%	0.166	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	147.3	170.4	-173.2	19.8	0	0	0	110.8	Y25 S94 F97	Y25-D90 PolarHBondContact N-O 3.36Å; Y25-D90 PolarHBondContact O-N 3.03Å; D90-S94 WeakPolarHBondContact OD1-CB 3.29Å; D90-F97 HydrophobicContact CB-CD1 3.74Å; D90-F97 HydrophobicContact CB-CE1 3.7Å
91	Y	67.2	Low	76	Confident	111 Å²	111	62.4 Å²	62.4	44%	0.435	32%	0.32	S	S	.	.			trans	-103	139.3	172.7	-72.3	-82.1	0	0	0	109	R89 G93 S94	R89-Y91 VanDerWaalsContact CZ-CZ 3.41Å; R89-Y91 VanDerWaalsContact CZ-OH 3.24Å; R89-Y91 VanDerWaalsContact NH1-CZ 3.35Å; R89-Y91 PolarHBondContact NH1-OH 3.05Å; R89-Y91 PolarHBondContact NH2-OH 2.81Å; Y91-G93 PolarHBondContact O-N 3Å; Y91-S94 WeakPolarHBondContact O-CB 3.12Å; Y91-S94 PolarHBondContact O-N 3.2Å
92	Y	58.3	Low	75.2	Confident	202 Å²	202	71.7 Å²	71.7	79%	0.792	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	114.1	-179.2	-161.2	-105.7	0	0	0	111.3	Y25	Y25-Y92 AromaticContact CE2-CD2 3.62Å; Y25-Y92 HydrophobicContact CE2-CD2 3.62Å; Y25-Y92 HydrophobicContact CE2-CG 4.28Å; Y25-Y92 AromaticContact CZ-CD2 3.62Å; Y25-Y92 WeakPolarHBondContact OH-CD2 3.32Å; Y25-Y92 WeakPolarHBondContact OH-CE2 3.41Å
93	G	57.7	Low	74.5	Confident	85 Å²	85	71.2 Å²	71.2	88%	0.876	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	94	2.7	-177.9	0	0	0	0	0	115.8	Y91	Y91-G93 PolarHBondContact O-N 3Å
94	S	59.7	Low	73.9	Confident	47 Å²	47	73.9 Å²	73.9	33%	0.329	38%	0.381	S	S	.	.			trans	-84.8	140.3	169.6	175.3	0	0	0	0	110.6	D90 Y91 Y96	D90-S94 WeakPolarHBondContact OD1-CB 3.29Å; Y91-S94 WeakPolarHBondContact O-CB 3.12Å; Y91-S94 PolarHBondContact O-N 3.2Å; S94-Y96 VanDerWaalsContact C-N 3.29Å; S94-Y96 PolarHBondContact OG-N 2.72Å; S94-Y96 PolarHBondContact OG-O 2.86Å
95	S	60.1	Low	73.5	Confident	101 Å²	101	74.7 Å²	74.7	71%	0.706	39%	0.388	S	S	*	.	S	Bend	trans	-90	6	169.9	55.1	0	0	0	0	112.7
96	Y	61.4	Low	72.9	Confident	178 Å²	178	74.6 Å²	74.6	70%	0.698	39%	0.388	S	S	*	.			trans	-126.8	131.4	-171.4	-63.5	-79.7	0	0	0	111.1	S94	S94-Y96 VanDerWaalsContact C-N 3.29Å; S94-Y96 PolarHBondContact OG-N 2.72Å; S94-Y96 PolarHBondContact OG-O 2.86Å
97	F	65.9	Low	72.2	Confident	80 Å²	80	75.4 Å²	75.4	35%	0.351	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-87.9	125.6	169.7	-68.6	-71.3	0	0	0	109.7	N27 I29 A88 R89 D90	N27-F97 HydrophobicContact CB-CD1 4.46Å; N27-F97 HydrophobicContact CB-CE1 4.17Å; N27-F97 VanDerWaalsContact CG-CE1 3.48Å; N27-F97 WeakPolarHBondContact ND2-CE1 3.16Å; I29-F97 HydrophobicContact CD1-CD2 4.42Å; I29-F97 HydrophobicContact CD1-CG 4.46Å; A88-F97 HydrophobicContact CB-CB 4.1Å; A88-F97 HydrophobicContact CB-CD1 4.28Å; A88-F97 HydrophobicContact CB-CG 4.42Å; R89-F97 CarbonylContact O-C 3.55Å; R89-F97 VanDerWaalsContact O-CA 3.31Å; R89-F97 WeakPolarHBondContact O-CA 3.38Å; D90-F97 HydrophobicContact CB-CD1 3.74Å; D90-F97 HydrophobicContact CB-CE1 3.7Å
98	D	67.1	Low	71.2	Confident	74 Å²	74	75.2 Å²	75.2	40%	0.396	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	130.3	163.4	-68.2	-32.3	0	0	0	108	A88 R89 W100	A88-D98 CarbonylContact C-O 3.52Å; A88-D98 WeakPolarHBondContact CA-O 3.41Å; R89-D98 HydrophobicContact CB-CB 4.48Å; R89-D98 PolarHBondContact N-O 2.9Å; R89-D98 PolarHBondContact O-N 2.99Å; D98-W100 VanDerWaalsContact O-CD1 3.25Å; D98-W100 PolarHBondContact O-N 3.1Å
99	Y	64.2	Low	70.1	Confident	150 Å²	150	77.7 Å²	77.7	59%	0.588	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	116	175.5	-73.4	-85	0	0	0	109.3
100	W	68.2	Low	68.6	Low	77 Å²	77	85 Å²	85	29%	0.292	46%	0.464	S	S	.	.			trans	-109.3	10.1	-172.4	-83.2	83.6	0	0	0	114.1	V16 S17 D19 W26 C87 R89 D98	V16-W100 HydrophobicContact CG1-CE3 4.08Å; V16-W100 HydrophobicContact CG1-CZ3 4.16Å; S17-W100 WeakPolarHBondContact O-CZ3 3.32Å; D19-W100 HydrophobicContact CB-CH2 3.49Å; D19-W100 VanDerWaalsContact CB-CH2 3.49Å; D19-W100 HydrophobicContact CB-CZ2 4.17Å; D19-W100 HydrophobicContact CB-CZ3 3.82Å; W26-W100 AromaticContact CH2-CD2 3.88Å; W26-W100 HydrophobicContact CH2-CD2 3.88Å; W26-W100 HydrophobicContact CH2-CE3 4.14Å; W26-W100 HydrophobicContact CH2-CG 4.1Å; W26-W100 HydrophobicContact CZ3-CB 3.88Å; W26-W100 AromaticContact CZ3-CD2 3.96Å; W26-W100 HydrophobicContact CZ3-CD2 3.96Å; W26-W100 HydrophobicContact CZ3-CE3 4.42Å; W26-W100 AromaticContact CZ3-CG 3.69Å; W26-W100 HydrophobicContact CZ3-CG 3.69Å; C87-W100 PolarHBondContact O-N 2.96Å; R89-W100 HydrophobicContact CB-CG 4.1Å; D98-W100 VanDerWaalsContact O-CD1 3.25Å; D98-W100 PolarHBondContact O-N 3.1Å
101	G	66.6	Low	68	Low	32 Å²	32	87.8 Å²	87.8	33%	0.33	48%	0.479	S	S	.	.	S	Bend	trans	-158.4	159.2	175.4	0	0	0	0	0	113.4	G103	G101-G103 PolarHBondContact O-N 2.83Å
102	Q	73	Confident	68.1	Low	195 Å²	195	86.5 Å²	86.5	91%	0.911	48%	0.481	S	S	*	.			trans	-71	-8.6	177.3	-66.2	-172.5	-16.6	0	0	113.4
103	G	75.4	Confident	68.6	Low	25 Å²	25	80.1 Å²	80.1	26%	0.258	46%	0.464	S	S	.	.			trans	76.1	153.5	-174.8	0	0	0	0	0	112.8	Y85 Y86 G101	Y85-G103 CarbonylContact O-C 3.53Å; Y85-G103 WeakPolarHBondContact O-CA 3.42Å; Y86-G103 VanDerWaalsContact CD1-CA 3.47Å; G101-G103 PolarHBondContact O-N 2.83Å
104	T	81.7	Confident	69.2	Low	62 Å²	62	79.8 Å²	79.8	38%	0.38	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	121.1	177.1	-62	0	0	0	0	109.6	L12 I84 Y85 L106	L12-T104 HydrophobicContact CD2-CG2 4.46Å; I84-T104 WeakPolarHBondContact CA-O 3.49Å; Y85-T104 PolarHBondContact N-O 2.68Å; Y85-T104 PolarHBondContact O-N 2.79Å; T104-L106 PolarHBondContact O-N 3.14Å
105	T	83.3	Confident	69.8	Low	64 Å²	64	81.9 Å²	81.9	39%	0.393	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	123.7	173.6	-47.3	0	0	0	0	110.6	P1 S2 I84	P1-T105 VanDerWaalsContact CA-O 3.28Å; P1-T105 WeakPolarHBondContact CA-O 3.37Å; S2-T105 PolarHBondContact N-O 3.05Å; I84-T105 HydrophobicContact CG1-CG2 4.42Å
106	L	80.6	Confident	70.5	Confident	0 Å²	0	80.6 Å²	80.6	0%	0	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	134	175.4	-174.4	85.1	0	0	0	110.2	V4 L10 G83 Y85 T104 V108	V4-L106 HydrophobicContact CG2-CD1 3.54Å; L10-L106 HydrophobicContact CD1-CD1 3.54Å; L10-L106 HydrophobicContact CD2-CD1 3.76Å; L10-L106 HydrophobicContact CD2-CD2 3.39Å; L10-L106 HydrophobicContact CD2-CG 4.16Å; L10-L106 HydrophobicContact CG-CD1 4.27Å; G83-L106 PolarHBondContact N-O 3.31Å; G83-L106 VanDerWaalsContact N-O 3.1Å; G83-L106 PolarHBondContact O-N 3.34Å; Y85-L106 HydrophobicContact CD2-CB 3.88Å; Y85-L106 HydrophobicContact CD2-CD2 4.42Å; Y85-L106 HydrophobicContact CE2-CB 3.69Å; Y85-L106 HydrophobicContact CE2-CD2 3.57Å; Y85-L106 HydrophobicContact CE2-CG 4.28Å; T104-L106 PolarHBondContact O-N 3.14Å; L106-V108 HydrophobicContact CD2-CG2 3.95Å; L106-V108 HydrophobicContact CG-CG2 4.39Å
107	T	78.2	Confident	71.1	Confident	55 Å²	55	73.6 Å²	73.6	34%	0.337	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	126.4	172.2	-54.2	0	0	0	0	109.4	S2 L3 V4	S2-T107 PolarHBondContact O-N 2.98Å; L3-T107 WeakPolarHBondContact CA-O 3.47Å; L3-T107 HydrophobicContact CD1-CG2 4.11Å; V4-T107 PolarHBondContact N-O 3.39Å
108	V	69.6	Low	71.5	Confident	7 Å²	7	73.2 Å²	73.2	4%	0.042	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	114.3	175.9	-175.9	0	0	0	0	108.5	V4 P6 V77 T78 T82 L106	V4-V108 WeakPolarHBondContact O-CA 3.44Å; P6-V108 HydrophobicContact CG-CG1 4.27Å; V77-V108 HydrophobicContact CB-CG2 4.3Å; V77-V108 HydrophobicContact CG2-CG1 4.11Å; V77-V108 HydrophobicContact CG2-CG2 4.27Å; T78-V108 WeakPolarHBondContact O-CB 3.22Å; T82-V108 PolarHBondContact OG1-N 3.02Å; L106-V108 HydrophobicContact CD2-CG2 3.95Å; L106-V108 HydrophobicContact CG-CG2 4.39Å
109	S	66	Low	71.9	Confident	52 Å²	52	73.1 Å²	73.1	36%	0.364	42%	0.417	S	S	.	.			trans	-135.9	144	-179.2	67.6	0	0	0	0	111.3	L3 V4 P6	L3-S109 WeakPolarHBondContact CD1-OG 3.36Å; V4-S109 PolarHBondContact O-N 2.58Å; P6-S109 WeakPolarHBondContact CD-O 3.37Å
110	S	56.4	Low	72.6	Confident	158 Å²	158	66.1 Å²	66.1	100%	1.105	40%	0.401	S	S	*	.			trans	-71.4	0	174.3	58.8	0	0	0	0	112.6

Retrieved 110 of 110 residues in 47.3 ms (Link to these results)

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