X5J5H7_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5H7, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 109 aa.

						>X5J5H7_MOUSE|X5J5H7
GGLVQPGGSMKLSCAASGFTFSDARMDGVPQSPEKGLEWVAEIRLKSTNYATHYAESVKGRFTISRDDSKSGVYLQMNNLRAEDTGIYYCTRGGALWCPFAYWGQGTLI
					

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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	G	47.9	Very low	72.3	Confident	92 Å²	92	82.8 Å²	82.8	95%	0.948	54%	0.538	S	S	*	.				0	137.8	0	0	0	0	0	0	108.1
2	G	57.2	Low	73.6	Confident	48 Å²	48	77.2 Å²	77.2	50%	0.495	50%	0.5	S	S	.	.			trans	-107.3	153.9	166.6	0	0	0	0	0	108.9	V4 M10	G2-V4 PolarHBondContact O-N 2.98Å; G2-M10 WeakPolarHBondContact O-CE 3.48Å
3	L	58.7	Low	74.7	Confident	172 Å²	172	78.2 Å²	78.2	90%	0.901	51%	0.51	S	S	*	.			trans	-60.4	133.5	173.9	-119.2	85.4	0	0	0	110
4	V	63	Low	75.3	Confident	44 Å²	44	74.1 Å²	74.1	27%	0.267	48%	0.484	S	S	.	.			trans	-115.7	135.9	177.8	178.4	0	0	0	0	110	G2 M10 L80	G2-V4 PolarHBondContact O-N 2.98Å; V4-M10 HydrophobicContact CB-CE 4.43Å; V4-M10 HydrophobicContact CG2-CB 4.07Å; V4-M10 HydrophobicContact CG2-CE 3.11Å; V4-M10 HydrophobicContact CG2-SD 4.34Å; V4-L80 HydrophobicContact CB-CD1 4.19Å; V4-L80 HydrophobicContact CG1-CD1 3.75Å
5	Q	68.6	Low	75.7	Confident	164 Å²	164	74.8 Å²	74.8	77%	0.766	50%	0.498	S	S	*	.			trans	-71.3	147.2	174.1	-67.2	-173.5	-6.5	0	0	110.8	G7 G8	Q5-G7 PolarHBondContact O-N 3.1Å; Q5-G8 PolarHBondContact O-N 2.78Å
6	P	69.9	Low	75.4	Confident	105 Å²	105	71.2 Å²	71.2	68%	0.682	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	137.9	170.5	-25.3	34	0	0	0	111.6	G8	P6-G8 VanDerWaalsContact C-N 3.26Å; P6-G8 PolarHBondContact O-N 3.21Å
7	G	77.6	Confident	74.9	Confident	47 Å²	47	73.1 Å²	73.1	49%	0.485	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.3	-9.5	-173	0	0	0	0	0	114.5	Q5 L80	Q5-G7 PolarHBondContact O-N 3.1Å; G7-L80 PolarHBondContact N-O 2.92Å
8	G	85.4	Confident	74.2	Confident	24 Å²	24	74 Å²	74	25%	0.247	52%	0.515	C	S	.	.			trans	-73.4	175.6	175.8	0	0	0	0	0	114	Q5 P6 N79 L80	Q5-G8 PolarHBondContact O-N 2.78Å; P6-G8 VanDerWaalsContact C-N 3.26Å; P6-G8 PolarHBondContact O-N 3.21Å; G8-N79 PolarHBondContact O-N 3.05Å; G8-L80 PolarHBondContact O-N 2.84Å
9	S	88.4	Confident	73.5	Confident	68 Å²	68	73.4 Å²	73.4	48%	0.476	50%	0.502	S	S	.	.			trans	-123	144.7	173.7	-63.8	0	0	0	0	110.8	M77 N78	S9-M77 CarbonylContact C-O 3.57Å; S9-M77 WeakPolarHBondContact CA-O 3.41Å; S9-M77 WeakPolarHBondContact CB-O 3.45Å; S9-N78 WeakPolarHBondContact CB-OD1 3.13Å; S9-N78 WeakPolarHBondContact OG-CA 3.49Å; S9-N78 PolarHBondContact OG-OD1 2.89Å
10	M	88.7	Confident	72.9	Confident	27 Å²	27	75.8 Å²	75.8	13%	0.133	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	150.9	173.5	176.9	173.6	-74	0	0	111	G2 V4 L12 M77 L80 I109	G2-M10 WeakPolarHBondContact O-CE 3.48Å; V4-M10 HydrophobicContact CB-CE 4.43Å; V4-M10 HydrophobicContact CG2-CB 4.07Å; V4-M10 HydrophobicContact CG2-CE 3.11Å; V4-M10 HydrophobicContact CG2-SD 4.34Å; M10-L12 HydrophobicContact SD-CD2 4.47Å; M10-M77 HydrophobicContact CB-CE 3.81Å; M10-M77 HydrophobicContact CG-CE 4.02Å; M10-M77 PolarHBondContact N-O 2.88Å; M10-M77 PolarHBondContact O-N 2.82Å; M10-M77 HydrophobicContact SD-CE 4.18Å; M10-L80 HydrophobicContact CB-CD1 4.16Å; M10-I109 HydrophobicContact CE-CD1 4.49Å; M10-I109 HydrophobicContact CE-CG2 4.38Å; M10-I109 HydrophobicContact SD-CD1 3.32Å; M10-I109 WeakPolarHBondContact SD-CD1 3.24Å; M10-I109 HydrophobicContact SD-CG1 4.34Å; M10-I109 HydrophobicContact SD-CG2 3.79Å
11	K	89.9	Confident	72.4	Confident	120 Å²	120	72.9 Å²	72.9	52%	0.522	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	119	167.9	-169.3	174.9	179.3	178.7	0	110.5	Y74 L75	K11-Y74 VanDerWaalsContact CE-CB 3.43Å; K11-L75 WeakPolarHBondContact CA-O 3.45Å
12	L	87.9	Confident	73.5	Confident	15 Å²	15	69.7 Å²	69.7	8%	0.079	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	141.1	166.7	-75.8	175.7	0	0	0	109.9	M10 Y74 L75 M77 Y88 T107 I109	M10-L12 HydrophobicContact SD-CD2 4.47Å; L12-Y74 CarbonylContact O-C 3.5Å; L12-Y74 WeakPolarHBondContact O-CA 3.21Å; L12-L75 HydrophobicContact CB-CB 4.22Å; L12-L75 HydrophobicContact CD1-CD2 4.47Å; L12-L75 PolarHBondContact N-O 3.33Å; L12-L75 PolarHBondContact O-N 2.78Å; L12-M77 HydrophobicContact CD1-CE 3.93Å; L12-M77 HydrophobicContact CD1-SD 3.84Å; L12-M77 HydrophobicContact CG-CE 3.93Å; L12-M77 HydrophobicContact CG-SD 4.38Å; L12-Y88 HydrophobicContact CD1-CD1 4.06Å; L12-Y88 HydrophobicContact CD1-CD2 4.18Å; L12-Y88 HydrophobicContact CD1-CG 3.67Å; L12-T107 HydrophobicContact CD2-CG2 4.06Å; L12-I109 HydrophobicContact CD1-CD1 4.21Å; L12-I109 HydrophobicContact CD1-CG1 4.19Å; L12-I109 HydrophobicContact CD2-CD1 3.31Å; L12-I109 HydrophobicContact CD2-CG1 4.18Å; L12-I109 HydrophobicContact CG-CD1 4Å; L12-I109 HydrophobicContact CG-CG1 4.49Å
13	S	87.4	Confident	74.1	Confident	90 Å²	90	68.9 Å²	68.9	63%	0.629	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.8	132.4	173.9	60.1	0	0	0	0	110.9
14	C	83.9	Confident	74.7	Confident	21 Å²	21	60.7 Å²	60.7	14%	0.142	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	115.7	173.1	171	0	0	0	0	108.4	M26 G72 V73 C90	C14-M26 HydrophobicContact CB-CE 3.71Å; C14-G72 CarbonylContact O-C 3.59Å; C14-G72 WeakPolarHBondContact O-CA 3.22Å; C14-V73 HydrophobicContact CB-CB 4.39Å; C14-V73 PolarHBondContact N-O 3.44Å; C14-V73 PolarHBondContact O-N 2.97Å; C14-C90 HydrophobicContact CB-CB 3.4Å; C14-C90 WeakPolarHBondContact CB-SG 3.46Å; C14-C90 WeakPolarHBondContact SG-CB 3.12Å; C14-C90 CovalentContact SG-SG 2.03Å; C14-C90 PolarHBondContact SG-SG 2.76Å
15	A	80.9	Confident	75.2	Confident	85 Å²	85	61.3 Å²	61.3	70%	0.702	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.7	127.2	171.8	0	0	0	0	0	108.8	S71	A15-S71 WeakPolarHBondContact CA-O 3.37Å
16	A	70.3	Confident	75.5	Confident	17 Å²	17	53.7 Å²	53.7	14%	0.14	36%	0.359	C	S	.	.			trans	-81.1	138.6	164.7	0	0	0	0	0	109.5	F19 F21 S71	A16-F19 HydrophobicContact CB-CD2 4.13Å; A16-F19 HydrophobicContact CB-CE1 4.33Å; A16-F19 HydrophobicContact CB-CE2 3.42Å; A16-F19 VanDerWaalsContact CB-CE2 3.42Å; A16-F19 HydrophobicContact CB-CZ 3.56Å; A16-F21 HydrophobicContact CB-CD1 4.01Å; A16-F21 HydrophobicContact CB-CD2 4.08Å; A16-F21 HydrophobicContact CB-CE1 3.47Å; A16-F21 VanDerWaalsContact CB-CE1 3.47Å; A16-F21 HydrophobicContact CB-CE2 3.58Å; A16-F21 HydrophobicContact CB-CG 4.28Å; A16-F21 HydrophobicContact CB-CZ 3.22Å; A16-S71 PolarHBondContact N-O 2.97Å
17	S	68.3	Low	75.8	Confident	103 Å²	103	48.8 Å²	48.8	72%	0.72	33%	0.327	S	S	*	.			trans	-114.5	135.4	171.6	60.2	0	0	0	0	109.9	F19	S17-F19 WeakPolarHBondContact O-CD1 3.49Å; S17-F19 VanDerWaalsContact O-CE1 3.22Å; S17-F19 WeakPolarHBondContact O-CE1 3.18Å; S17-F19 PolarHBondContact O-N 3.16Å
18	G	61.6	Low	75.6	Confident	90 Å²	90	46.8 Å²	46.8	93%	0.928	31%	0.307	S	S	*	.	S	Bend	trans	80.1	7.5	170.4	0	0	0	0	0	117.1
19	F	60.9	Low	74.9	Confident	63 Å²	63	47.6 Å²	47.6	28%	0.276	31%	0.307	S	S	.	.	S	Bend	trans	-156.8	156.1	175.9	55.1	-93.1	0	0	0	113.3	A16 S17 F21	A16-F19 HydrophobicContact CB-CD2 4.13Å; A16-F19 HydrophobicContact CB-CE1 4.33Å; A16-F19 HydrophobicContact CB-CE2 3.42Å; A16-F19 VanDerWaalsContact CB-CE2 3.42Å; A16-F19 HydrophobicContact CB-CZ 3.56Å; S17-F19 WeakPolarHBondContact O-CD1 3.49Å; S17-F19 VanDerWaalsContact O-CE1 3.22Å; S17-F19 WeakPolarHBondContact O-CE1 3.18Å; S17-F19 PolarHBondContact O-N 3.16Å; F19-F21 HydrophobicContact CE2-CD1 4.26Å; F19-F21 HydrophobicContact CE2-CE1 4.41Å
20	T	60.9	Low	74.2	Confident	121 Å²	121	45.4 Å²	45.4	74%	0.742	29%	0.291	S	S	*	.			trans	-75.1	133.2	168.7	-43	0	0	0	0	110.1	S22	T20-S22 PolarHBondContact O-N 3.35Å
21	F	63.7	Low	72.9	Confident	15 Å²	15	50.3 Å²	50.3	7%	0.066	31%	0.313	C	S	.	.			trans	-63.8	124.3	179.5	-86.8	-63.8	0	0	0	112.5	A16 F19 R66 S71 V73	A16-F21 HydrophobicContact CB-CD1 4.01Å; A16-F21 HydrophobicContact CB-CD2 4.08Å; A16-F21 HydrophobicContact CB-CE1 3.47Å; A16-F21 VanDerWaalsContact CB-CE1 3.47Å; A16-F21 HydrophobicContact CB-CE2 3.58Å; A16-F21 HydrophobicContact CB-CG 4.28Å; A16-F21 HydrophobicContact CB-CZ 3.22Å; F19-F21 HydrophobicContact CE2-CD1 4.26Å; F19-F21 HydrophobicContact CE2-CE1 4.41Å; F21-R66 PolarHBondContact O-NH2 3.36Å; F21-S71 WeakPolarHBondContact CE2-O 3.47Å; F21-V73 HydrophobicContact CD1-CG2 4.35Å; F21-V73 HydrophobicContact CD2-CG2 4.25Å; F21-V73 HydrophobicContact CE1-CG2 3.92Å; F21-V73 HydrophobicContact CE2-CG2 3.74Å; F21-V73 HydrophobicContact CZ-CB 4.42Å; F21-V73 HydrophobicContact CZ-CG2 3.6Å
22	S	70.4	Confident	71.5	Confident	25 Å²	25	46.9 Å²	46.9	18%	0.175	30%	0.304	C	S	.	.			trans	-79	-139.1	162.1	50.8	0	0	0	0	109.9	T20 R66 R92 G93	T20-S22 PolarHBondContact O-N 3.35Å; S22-R66 PolarHBondContact O-NH1 3.07Å; S22-R92 WeakPolarHBondContact OG-CG 3.27Å; S22-R92 PolarHBondContact OG-NE 3.25Å; S22-G93 PolarHBondContact OG-O 3.13Å
23	D	69.6	Low	70	Confident	30 Å²	30	52.6 Å²	52.6	16%	0.16	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	143.4	167.8	-63.1	-42.3	0	0	0	109.6	R44 L45 G93	D23-R44 WeakPolarHBondContact OD1-CA 3.41Å; D23-R44 WeakPolarHBondContact OD1-CB 3.48Å; D23-L45 VanDerWaalsContact OD1-CD2 3.29Å; D23-L45 WeakPolarHBondContact OD1-CD2 3.49Å; D23-L45 VanDerWaalsContact OD1-CG 3.3Å; D23-L45 WeakPolarHBondContact OD1-CG 3.49Å; D23-L45 PolarHBondContact OD1-N 2.89Å; D23-G93 WeakPolarHBondContact O-CA 3.47Å; D23-G93 PolarHBondContact O-N 3.21Å
24	A	70.8	Confident	69	Low	0 Å²	0	57.2 Å²	57.2	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	136.4	178.5	0	0	0	0	0	110	E42 I43 V73	A24-E42 WeakPolarHBondContact O-CA 3.47Å; A24-I43 HydrophobicContact CB-CG2 3.92Å; A24-I43 PolarHBondContact N-O 3.42Å; A24-I43 PolarHBondContact O-N 3.34Å; A24-I43 VanDerWaalsContact O-O 3.13Å; A24-V73 HydrophobicContact CB-CG1 4.36Å; A24-V73 HydrophobicContact CB-CG2 3.62Å
25	R	75.1	Confident	68.1	Low	57 Å²	57	61.2 Å²	61.2	22%	0.215	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	143.6	-177.2	176	177.1	164.9	143.2	-0.5	109.1	D27 W39 T91 F100	R25-D27 IonicContact CZ-OD1 3.27Å; R25-D27 VanDerWaalsContact CZ-OD1 3.27Å; R25-D27 IonicContact NE-OD1 3.71Å; R25-D27 PolarHBondContact NE-OD1 3.26Å; R25-D27 IonicContact NE-OD2 3.72Å; R25-D27 PolarHBondContact NE-OD2 3.33Å; R25-D27 IonicContact NH2-OD1 2.81Å; R25-D27 PolarHBondContact NH2-OD1 3.41Å; R25-W39 VanDerWaalsContact NH2-CB 3.28Å; R25-T91 WeakPolarHBondContact CB-OG1 3.05Å; R25-T91 PolarHBondContact N-O 3.2Å; R25-T91 PolarHBondContact O-N 2.78Å; R25-T91 VanDerWaalsContact O-O 3.08Å; R25-T91 PolarHBondContact O-OG1 3.4Å; R25-F100 HydrophobicContact CB-CE1 4.4Å; R25-F100 HydrophobicContact CG-CE1 4.48Å
26	M	73.8	Confident	67.7	Low	5 Å²	5	59.6 Å²	59.6	3%	0.025	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	121.8	173.5	-71.8	-76	-175.6	0	0	106.7	C14 V40 A41 I64 V73 L75 Y89 C90	C14-M26 HydrophobicContact CB-CE 3.71Å; M26-V40 WeakPolarHBondContact O-CB 3.23Å; M26-V40 PolarHBondContact O-N 3.05Å; M26-A41 PolarHBondContact N-O 2.76Å; M26-A41 PolarHBondContact O-N 3.47Å; M26-A41 VanDerWaalsContact O-N 3.12Å; M26-I64 HydrophobicContact CB-CD1 4.41Å; M26-I64 HydrophobicContact CG-CD1 3.82Å; M26-V73 HydrophobicContact CE-CB 4.18Å; M26-V73 HydrophobicContact CE-CG1 3.66Å; M26-L75 HydrophobicContact CB-CD2 4.29Å; M26-L75 HydrophobicContact CG-CB 4.42Å; M26-L75 HydrophobicContact CG-CD2 4.45Å; M26-Y89 WeakPolarHBondContact CA-O 3.22Å; M26-C90 HydrophobicContact CE-CB 4.01Å; M26-C90 HydrophobicContact SD-CB 3.86Å
27	D	75.6	Confident	68	Low	2 Å²	2	63 Å²	63	1%	0.011	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	143.2	176.2	-60.4	-77.7	0	0	0	108.3	R25 L37 E38 Y88 Y89 T91	R25-D27 IonicContact CZ-OD1 3.27Å; R25-D27 VanDerWaalsContact CZ-OD1 3.27Å; R25-D27 IonicContact NE-OD1 3.71Å; R25-D27 PolarHBondContact NE-OD1 3.26Å; R25-D27 IonicContact NE-OD2 3.72Å; R25-D27 PolarHBondContact NE-OD2 3.33Å; R25-D27 IonicContact NH2-OD1 2.81Å; R25-D27 PolarHBondContact NH2-OD1 3.41Å; D27-L37 HydrophobicContact CB-CD1 3.66Å; D27-L37 HydrophobicContact CB-CG 4.23Å; D27-E38 CarbonylContact C-O 3.55Å; D27-E38 WeakPolarHBondContact CA-O 3.24Å; D27-Y88 CarbonylContact O-C 3.58Å; D27-Y88 WeakPolarHBondContact O-CA 3.3Å; D27-Y89 PolarHBondContact N-O 2.78Å; D27-Y89 PolarHBondContact O-N 3.3Å; D27-T91 WeakPolarHBondContact OD2-CG2 3.36Å; D27-T91 PolarHBondContact OD2-OG1 2.94Å
28	G	73.7	Confident	68.7	Low	5 Å²	5	61.9 Å²	61.9	5%	0.052	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	135.8	179.5	0	0	0	0	0	109.8	E38	G28-E38 PolarHBondContact N-O 2.81Å; G28-E38 WeakPolarHBondContact O-CA 3.43Å; G28-E38 PolarHBondContact O-N 3.26Å
29	V	70.9	Confident	69.8	Low	41 Å²	41	61.1 Å²	61.1	25%	0.248	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	111	167.8	-179	0	0	0	0	106.7	L37 G86 I87 Y89	V29-L37 HydrophobicContact CG2-CB 4.07Å; V29-L37 HydrophobicContact CG2-CD1 3.47Å; V29-L37 VanDerWaalsContact CG2-CD1 3.47Å; V29-L37 HydrophobicContact CG2-CG 4.4Å; V29-G86 CarbonylContact O-C 3.45Å; V29-G86 WeakPolarHBondContact O-CA 3.29Å; V29-I87 PolarHBondContact N-O 2.91Å; V29-I87 PolarHBondContact O-N 2.74Å; V29-Y89 HydrophobicContact CB-CE2 4.26Å; V29-Y89 HydrophobicContact CG2-CD2 3.97Å; V29-Y89 HydrophobicContact CG2-CE2 3.54Å
30	P	73	Confident	71.1	Confident	21 Å²	21	58.6 Å²	58.6	14%	0.136	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	145.2	175.2	-20.8	33.3	0	0	0	110.1	S32 K35 G36 E38	P30-S32 PolarHBondContact O-N 2.6Å; P30-K35 HydrophobicContact CB-CB 4.07Å; P30-K35 HydrophobicContact CB-CD 4.28Å; P30-K35 HydrophobicContact CG-CB 3.81Å; P30-K35 HydrophobicContact CG-CD 4.05Å; P30-G36 WeakPolarHBondContact CD-O 3.43Å; P30-E38 HydrophobicContact CG-CG 4.47Å
31	Q	63.3	Low	72.5	Confident	130 Å²	130	52.8 Å²	52.8	61%	0.607	28%	0.283	S	S	*	.	S	Bend	trans	-68.7	-14.4	177.2	-159.8	-179.9	-6.3	0	0	112.5	T85	Q31-T85 PolarHBondContact N-O 2.79Å; Q31-T85 VanDerWaalsContact OE1-CG2 3.3Å
32	S	59.1	Low	73.6	Confident	48 Å²	48	53.4 Å²	53.4	34%	0.336	29%	0.286	S	S	.	.	S	Bend	trans	-65.6	124.4	176.5	63.8	0	0	0	0	110.9	P30 E34 K35	P30-S32 PolarHBondContact O-N 2.6Å; S32-E34 PolarHBondContact O-N 2.76Å; S32-K35 PolarHBondContact O-N 3.48Å; S32-K35 VanDerWaalsContact O-N 3.1Å; S32-K35 WeakPolarHBondContact OG-CB 3.46Å
33	P	57.3	Low	74.4	Confident	135 Å²	135	52.6 Å²	52.6	88%	0.877	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-12.8	-176.2	22.6	-31.5	0	0	0	114.3
34	E	66	Low	75.2	Confident	188 Å²	188	55.7 Å²	55.7	88%	0.879	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-11.2	180	-58.2	-174.6	-170.8	0	0	113.8	S32	S32-E34 PolarHBondContact O-N 2.76Å
35	K	65.6	Low	75.8	Confident	105 Å²	105	58.2 Å²	58.2	46%	0.457	30%	0.302	S	S	.	.			trans	-114.2	132	-177.1	-67.7	-175.6	171.3	-169.6	0	111.5	P30 S32	P30-K35 HydrophobicContact CB-CB 4.07Å; P30-K35 HydrophobicContact CB-CD 4.28Å; P30-K35 HydrophobicContact CG-CB 3.81Å; P30-K35 HydrophobicContact CG-CD 4.05Å; S32-K35 PolarHBondContact O-N 3.48Å; S32-K35 VanDerWaalsContact O-N 3.1Å; S32-K35 WeakPolarHBondContact OG-CB 3.46Å
36	G	72.4	Confident	76.2	Confident	51 Å²	51	62.7 Å²	62.7	53%	0.526	32%	0.323	S	S	.	.			trans	-80.2	-167.4	175.3	0	0	0	0	0	112.8	P30 E38	P30-G36 WeakPolarHBondContact CD-O 3.43Å; G36-E38 PolarHBondContact O-N 2.66Å
37	L	77	Confident	76.6	Confident	88 Å²	88	67.5 Å²	67.5	46%	0.461	36%	0.357	S	S	.	.			trans	-61	123.4	170.9	177.7	82	0	0	0	111	D27 V29 Y89 W103	D27-L37 HydrophobicContact CB-CD1 3.66Å; D27-L37 HydrophobicContact CB-CG 4.23Å; V29-L37 HydrophobicContact CG2-CB 4.07Å; V29-L37 HydrophobicContact CG2-CD1 3.47Å; V29-L37 VanDerWaalsContact CG2-CD1 3.47Å; V29-L37 HydrophobicContact CG2-CG 4.4Å; L37-Y89 HydrophobicContact CD1-CD2 4.34Å; L37-W103 HydrophobicContact CD1-CH2 3.8Å; L37-W103 HydrophobicContact CD1-CZ3 3.82Å; L37-W103 HydrophobicContact CD2-CH2 3.4Å; L37-W103 VanDerWaalsContact CD2-CH2 3.4Å; L37-W103 HydrophobicContact CD2-CZ2 4.2Å; L37-W103 HydrophobicContact CD2-CZ3 4.25Å; L37-W103 HydrophobicContact CG-CH2 4.22Å
38	E	82.4	Confident	77	Confident	79 Å²	79	70.2 Å²	70.2	37%	0.369	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	142.8	176.7	-67.3	-174	178.1	0	0	110.9	D27 G28 P30 G36	D27-E38 CarbonylContact C-O 3.55Å; D27-E38 WeakPolarHBondContact CA-O 3.24Å; G28-E38 PolarHBondContact N-O 2.81Å; G28-E38 WeakPolarHBondContact O-CA 3.43Å; G28-E38 PolarHBondContact O-N 3.26Å; P30-E38 HydrophobicContact CG-CG 4.47Å; G36-E38 PolarHBondContact O-N 2.66Å
39	W	84.1	Confident	77.7	Confident	74 Å²	74	76.6 Å²	76.6	28%	0.28	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	138.1	172.5	-179.9	54.4	0	0	0	110.8	R25 A41 E42 H53 Y54 A55	R25-W39 VanDerWaalsContact NH2-CB 3.28Å; W39-A41 PolarHBondContact NE1-O 2.92Å; W39-E42 HydrophobicContact CZ2-CB 3.79Å; W39-H53 VanDerWaalsContact CH2-C 3.48Å; W39-H53 HydrophobicContact CH2-CB 3.64Å; W39-H53 HydrophobicContact CZ2-CB 3.79Å; W39-Y54 WeakPolarHBondContact CZ3-O 3.45Å; W39-A55 HydrophobicContact CE3-CB 3.88Å; W39-A55 HydrophobicContact CZ3-CB 4.05Å; W39-A55 VanDerWaalsContact O-CB 3.23Å; W39-A55 WeakPolarHBondContact O-CB 3.32Å
40	V	89.2	Confident	78.5	Confident	10 Å²	10	78.3 Å²	78.3	6%	0.061	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	-55.3	-178.1	176.6	0	0	0	0	111.8	M26 A55 V58 F62 L75 Y88	M26-V40 WeakPolarHBondContact O-CB 3.23Å; M26-V40 PolarHBondContact O-N 3.05Å; V40-A55 PolarHBondContact O-N 2.86Å; V40-V58 HydrophobicContact CG1-CG1 4.27Å; V40-V58 HydrophobicContact CG1-CG2 3.99Å; V40-V58 WeakPolarHBondContact O-CG2 2.89Å; V40-F62 HydrophobicContact CG1-CD2 3.83Å; V40-F62 HydrophobicContact CG1-CE2 4.15Å; V40-L75 HydrophobicContact CG1-CD2 4.1Å; V40-Y88 HydrophobicContact CG1-CE1 4.33Å; V40-Y88 HydrophobicContact CG2-CD1 4.42Å; V40-Y88 HydrophobicContact CG2-CE1 4.01Å
41	A	89.1	Confident	79.3	Confident	0 Å²	0	79 Å²	79	0%	0	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	156.7	-178.5	0	0	0	0	0	112.1	M26 W39 H53 Y54 I64 L75	M26-A41 PolarHBondContact N-O 2.76Å; M26-A41 PolarHBondContact O-N 3.47Å; M26-A41 VanDerWaalsContact O-N 3.12Å; W39-A41 PolarHBondContact NE1-O 2.92Å; A41-H53 CarbonylContact C-O 3.46Å; A41-H53 VanDerWaalsContact CA-O 3.24Å; A41-H53 WeakPolarHBondContact CA-O 3.35Å; A41-Y54 HydrophobicContact CB-CD1 3.83Å; A41-Y54 HydrophobicContact CB-CE1 4.12Å; A41-I64 HydrophobicContact CB-CB 4.06Å; A41-I64 HydrophobicContact CB-CD1 4.09Å; A41-I64 HydrophobicContact CB-CG2 4.15Å; A41-L75 HydrophobicContact CB-CD1 4.05Å
42	E	88.2	Confident	80.6	Confident	27 Å²	27	75.5 Å²	75.5	13%	0.126	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	140.7	174.9	179.8	-179.4	-113.4	0	0	109.4	A24 W39 R44 T52 H53	A24-E42 WeakPolarHBondContact O-CA 3.47Å; W39-E42 HydrophobicContact CZ2-CB 3.79Å; E42-R44 HydrophobicContact CG-CG 4.32Å; E42-R44 IonicContact OE2-CZ 2.76Å; E42-R44 IonicContact OE2-NE 3.17Å; E42-R44 PolarHBondContact OE2-NE 3.04Å; E42-R44 VanDerWaalsContact OE2-NE 3.07Å; E42-R44 IonicContact OE2-NH2 3.54Å; E42-R44 PolarHBondContact OE2-NH2 3.07Å; E42-T52 CarbonylContact O-C 3.51Å; E42-T52 VanDerWaalsContact O-CA 3.26Å; E42-T52 WeakPolarHBondContact O-CA 3.45Å; E42-H53 HydrophobicContact CB-CB 4.42Å; E42-H53 PolarHBondContact N-O 3.22Å; E42-H53 PolarHBondContact O-N 2.77Å; E42-H53 IonicContact OE2-CD2 2.74Å; E42-H53 PolarHBondContact OE2-CD2 3.17Å
43	I	87.2	Confident	82.1	Confident	8 Å²	8	77 Å²	77	4%	0.041	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	120.1	166.8	-173.2	162	0	0	0	109.5	A24 T52 I64 R66 V73	A24-I43 HydrophobicContact CB-CG2 3.92Å; A24-I43 PolarHBondContact N-O 3.42Å; A24-I43 PolarHBondContact O-N 3.34Å; A24-I43 VanDerWaalsContact O-O 3.13Å; I43-T52 HydrophobicContact CB-CG2 4.16Å; I43-T52 HydrophobicContact CD1-CG2 3.93Å; I43-T52 HydrophobicContact CG1-CG2 3.87Å; I43-I64 HydrophobicContact CB-CD1 4.12Å; I43-I64 HydrophobicContact CB-CG1 4.11Å; I43-I64 HydrophobicContact CB-CG2 3.97Å; I43-I64 HydrophobicContact CG2-CD1 3.73Å; I43-I64 HydrophobicContact CG2-CG1 3.85Å; I43-R66 HydrophobicContact CD1-CB 4.19Å; I43-R66 HydrophobicContact CD1-CG 3.69Å; I43-R66 HydrophobicContact CG1-CG 4.29Å; I43-R66 HydrophobicContact CG2-CB 4.44Å; I43-V73 HydrophobicContact CG2-CG1 4.22Å
44	R	85.6	Confident	83.7	Confident	95 Å²	95	73.1 Å²	73.1	36%	0.358	37%	0.374	S	S	.	.			trans	-81.7	169	-177.1	-62	-162.7	176.5	-162	0.3	112.6	D23 E42 T48 A51 R66	D23-R44 WeakPolarHBondContact OD1-CA 3.41Å; D23-R44 WeakPolarHBondContact OD1-CB 3.48Å; E42-R44 HydrophobicContact CG-CG 4.32Å; E42-R44 IonicContact OE2-CZ 2.76Å; E42-R44 IonicContact OE2-NE 3.17Å; E42-R44 PolarHBondContact OE2-NE 3.04Å; E42-R44 VanDerWaalsContact OE2-NE 3.07Å; E42-R44 IonicContact OE2-NH2 3.54Å; E42-R44 PolarHBondContact OE2-NH2 3.07Å; R44-T48 WeakPolarHBondContact CB-OG1 3.47Å; R44-A51 HydrophobicContact CB-CB 4.46Å; R44-A51 PolarHBondContact N-O 3.33Å; R44-R66 PolarHBondContact O-NH1 3.47Å
45	L	83.4	Confident	84.9	Confident	53 Å²	53	64.8 Å²	64.8	28%	0.277	34%	0.337	S	S	.	.			trans	-70.9	169.2	178.2	57.2	96.7	0	0	0	113.4	D23 S47 T48 Y50	D23-L45 VanDerWaalsContact OD1-CD2 3.29Å; D23-L45 WeakPolarHBondContact OD1-CD2 3.49Å; D23-L45 VanDerWaalsContact OD1-CG 3.3Å; D23-L45 WeakPolarHBondContact OD1-CG 3.49Å; D23-L45 PolarHBondContact OD1-N 2.89Å; L45-S47 VanDerWaalsContact C-N 3.28Å; L45-S47 WeakPolarHBondContact CD1-OG 3.43Å; L45-S47 PolarHBondContact O-N 2.85Å; L45-T48 PolarHBondContact O-N 2.76Å; L45-T48 PolarHBondContact O-OG1 3.22Å; L45-Y50 PolarHBondContact O-N 2.98Å
46	K	82.8	Confident	86.1	Confident	151 Å²	151	66.6 Å²	66.6	66%	0.657	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-58.4	-33.7	-171.2	-173.4	175.5	-177.1	178	0	114.1	T48 N49 Y50	K46-T48 PolarHBondContact O-N 2.92Å; K46-N49 WeakPolarHBondContact O-CA 3.23Å; K46-N49 PolarHBondContact O-N 3.46Å; K46-Y50 HydrophobicContact CB-CE1 3.91Å; K46-Y50 HydrophobicContact CB-CE2 4.19Å; K46-Y50 HydrophobicContact CG-CE1 4.44Å; K46-Y50 HydrophobicContact CG-CE2 3.85Å
47	S	82.9	Confident	86.8	Confident	106 Å²	106	67.5 Å²	67.5	74%	0.741	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-65.2	-23.6	-178.2	72.8	0	0	0	0	113.5	L45 N49	L45-S47 VanDerWaalsContact C-N 3.28Å; L45-S47 WeakPolarHBondContact CD1-OG 3.43Å; L45-S47 PolarHBondContact O-N 2.85Å; S47-N49 VanDerWaalsContact C-N 3.3Å
48	T	84.3	Confident	87.4	Confident	59 Å²	59	63.5 Å²	63.5	36%	0.362	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-97	24.3	172.1	56.9	0	0	0	0	111.9	R44 L45 K46 Y50 A51	R44-T48 WeakPolarHBondContact CB-OG1 3.47Å; L45-T48 PolarHBondContact O-N 2.76Å; L45-T48 PolarHBondContact O-OG1 3.22Å; K46-T48 PolarHBondContact O-N 2.92Å; T48-Y50 PolarHBondContact O-N 3.24Å; T48-A51 WeakPolarHBondContact O-CB 2.95Å; T48-A51 PolarHBondContact O-N 3.04Å; T48-A51 VanDerWaalsContact O-N 3.13Å
49	N	87.5	Confident	87.9	Confident	140 Å²	140	65.5 Å²	65.5	75%	0.749	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	38.7	-178.6	-164.1	40.5	0	0	0	113.6	K46 S47 A51	K46-N49 WeakPolarHBondContact O-CA 3.23Å; K46-N49 PolarHBondContact O-N 3.46Å; S47-N49 VanDerWaalsContact C-N 3.3Å; N49-A51 PolarHBondContact O-N 3.28Å
50	Y	87.9	Confident	88.3	Confident	77 Å²	77	66 Å²	66	30%	0.302	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	36.1	-179.6	-54.6	-71.2	0	0	0	114.2	L45 K46 T48 T52 R66 D68	L45-Y50 PolarHBondContact O-N 2.98Å; K46-Y50 HydrophobicContact CB-CE1 3.91Å; K46-Y50 HydrophobicContact CB-CE2 4.19Å; K46-Y50 HydrophobicContact CG-CE1 4.44Å; K46-Y50 HydrophobicContact CG-CE2 3.85Å; T48-Y50 PolarHBondContact O-N 3.24Å; Y50-T52 PolarHBondContact O-N 2.88Å; Y50-R66 HydrophobicContact CD1-CG 4.28Å; Y50-R66 HydrophobicContact CE1-CG 4.39Å; Y50-D68 WeakPolarHBondContact CE1-OD2 3.24Å; Y50-D68 PolarHBondContact OH-OD2 3.28Å
51	A	89.6	Confident	88.5	Confident	35 Å²	35	66.4 Å²	66.4	29%	0.289	36%	0.361	S	S	.	.			trans	-47.8	133.1	175.6	0	0	0	0	0	111.5	R44 T48 N49	R44-A51 HydrophobicContact CB-CB 4.46Å; R44-A51 PolarHBondContact N-O 3.33Å; T48-A51 WeakPolarHBondContact O-CB 2.95Å; T48-A51 PolarHBondContact O-N 3.04Å; T48-A51 VanDerWaalsContact O-N 3.13Å; N49-A51 PolarHBondContact O-N 3.28Å
52	T	91.7	Very high	88.7	Confident	57 Å²	57	66.6 Å²	66.6	35%	0.35	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	142.2	179.2	57.3	0	0	0	0	110.9	E42 I43 Y50 I64	E42-T52 CarbonylContact O-C 3.51Å; E42-T52 VanDerWaalsContact O-CA 3.26Å; E42-T52 WeakPolarHBondContact O-CA 3.45Å; I43-T52 HydrophobicContact CB-CG2 4.16Å; I43-T52 HydrophobicContact CD1-CG2 3.93Å; I43-T52 HydrophobicContact CG1-CG2 3.87Å; Y50-T52 PolarHBondContact O-N 2.88Å; T52-I64 HydrophobicContact CG2-CG2 3.77Å
53	H	90.6	Very high	89	Confident	80 Å²	80	68.8 Å²	68.8	37%	0.37	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	145.7	176.4	-56.4	-75.4	0	0	0	109.2	W39 A41 E42	W39-H53 VanDerWaalsContact CH2-C 3.48Å; W39-H53 HydrophobicContact CH2-CB 3.64Å; W39-H53 HydrophobicContact CZ2-CB 3.79Å; A41-H53 CarbonylContact C-O 3.46Å; A41-H53 VanDerWaalsContact CA-O 3.24Å; A41-H53 WeakPolarHBondContact CA-O 3.35Å; E42-H53 HydrophobicContact CB-CB 4.42Å; E42-H53 PolarHBondContact N-O 3.22Å; E42-H53 PolarHBondContact O-N 2.77Å; E42-H53 IonicContact OE2-CD2 2.74Å; E42-H53 PolarHBondContact OE2-CD2 3.17Å
54	Y	90.6	Very high	89.3	Confident	52 Å²	52	68.7 Å²	68.7	20%	0.204	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	145.3	-177.2	-58.9	-87.1	0	0	0	110.2	W39 A41 F62 I64	W39-Y54 WeakPolarHBondContact CZ3-O 3.45Å; A41-Y54 HydrophobicContact CB-CD1 3.83Å; A41-Y54 HydrophobicContact CB-CE1 4.12Å; Y54-F62 VanDerWaalsContact CE1-O 3.22Å; Y54-F62 WeakPolarHBondContact CE1-O 3.46Å; Y54-I64 HydrophobicContact CE1-CB 4.29Å; Y54-I64 HydrophobicContact CE1-CG2 3.88Å; Y54-I64 PolarHBondContact OH-N 2.95Å
55	A	90.6	Very high	89.5	Confident	13 Å²	13	66.5 Å²	66.5	11%	0.107	38%	0.376	C	S	.	.			trans	-66.3	146.1	168.4	0	0	0	0	0	110.3	W39 V40 S57 V58 K59	W39-A55 HydrophobicContact CE3-CB 3.88Å; W39-A55 HydrophobicContact CZ3-CB 4.05Å; W39-A55 VanDerWaalsContact O-CB 3.23Å; W39-A55 WeakPolarHBondContact O-CB 3.32Å; V40-A55 PolarHBondContact O-N 2.86Å; A55-S57 PolarHBondContact O-N 2.79Å; A55-S57 VanDerWaalsContact O-N 3.17Å; A55-V58 HydrophobicContact CB-CG2 4.22Å; A55-V58 WeakPolarHBondContact O-CG2 3.48Å; A55-V58 PolarHBondContact O-N 2.79Å; A55-V58 VanDerWaalsContact O-N 3.07Å; A55-K59 PolarHBondContact O-N 2.91Å
56	E	90.2	Very high	89.7	Confident	144 Å²	144	65.6 Å²	65.6	67%	0.673	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-28.7	-178.2	-71.4	-62.4	136.9	0	0	112.4	V58 K59	E56-V58 VanDerWaalsContact C-N 3.28Å; E56-V58 PolarHBondContact O-N 2.99Å; E56-K59 WeakPolarHBondContact OE1-CD 3.33Å; E56-K59 IonicContact OE1-NZ 2.91Å; E56-K59 PolarHBondContact OE1-NZ 2.6Å; E56-K59 IonicContact OE2-NZ 3.33Å
57	S	87.8	Confident	89.8	Confident	69 Å²	69	60.4 Å²	60.4	48%	0.483	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-27.8	176.5	53.2	0	0	0	0	114.3	A55 R61	A55-S57 PolarHBondContact O-N 2.79Å; A55-S57 VanDerWaalsContact O-N 3.17Å; S57-R61 PolarHBondContact O-NH2 3.06Å
58	V	90.1	Very high	89.8	Confident	4 Å²	4	58.1 Å²	58.1	2%	0.024	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-5.3	-173.8	-57.9	0	0	0	0	113.6	V40 A55 E56 G60 R61 F62	V40-V58 HydrophobicContact CG1-CG1 4.27Å; V40-V58 HydrophobicContact CG1-CG2 3.99Å; V40-V58 WeakPolarHBondContact O-CG2 2.89Å; A55-V58 HydrophobicContact CB-CG2 4.22Å; A55-V58 WeakPolarHBondContact O-CG2 3.48Å; A55-V58 PolarHBondContact O-N 2.79Å; A55-V58 VanDerWaalsContact O-N 3.07Å; E56-V58 VanDerWaalsContact C-N 3.28Å; E56-V58 PolarHBondContact O-N 2.99Å; V58-G60 PolarHBondContact O-N 2.79Å; V58-R61 WeakPolarHBondContact O-CB 3.32Å; V58-R61 PolarHBondContact O-N 3.12Å; V58-F62 HydrophobicContact CB-CB 4.09Å; V58-F62 HydrophobicContact CB-CD1 4.19Å; V58-F62 HydrophobicContact CB-CD2 3.63Å; V58-F62 HydrophobicContact CB-CE2 4.02Å; V58-F62 HydrophobicContact CB-CG 3.72Å; V58-F62 HydrophobicContact CB-CZ 4.43Å; V58-F62 HydrophobicContact CG1-CD2 3.71Å; V58-F62 HydrophobicContact CG1-CE1 4.45Å; V58-F62 HydrophobicContact CG1-CE2 3.57Å; V58-F62 HydrophobicContact CG1-CG 4.23Å; V58-F62 HydrophobicContact CG1-CZ 3.96Å; V58-F62 HydrophobicContact CG2-CB 4.29Å; V58-F62 HydrophobicContact CG2-CD2 4.11Å; V58-F62 HydrophobicContact CG2-CG 4.33Å; V58-F62 PolarHBondContact O-N 3.23Å
59	K	92.1	Very high	89.7	Confident	121 Å²	121	60.3 Å²	60.3	53%	0.526	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	132.7	-178.2	-164.3	175.5	-171.6	176.5	0	111.1	A55 E56 R61	A55-K59 PolarHBondContact O-N 2.91Å; E56-K59 WeakPolarHBondContact OE1-CD 3.33Å; E56-K59 IonicContact OE1-NZ 2.91Å; E56-K59 PolarHBondContact OE1-NZ 2.6Å; E56-K59 IonicContact OE2-NZ 3.33Å; K59-R61 PolarHBondContact O-N 3.03Å
60	G	92.8	Very high	89.5	Confident	84 Å²	84	60.3 Å²	60.3	87%	0.866	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	-5.6	-177	0	0	0	0	0	115.1	V58	V58-G60 PolarHBondContact O-N 2.79Å
61	R	94.4	Very high	89.1	Confident	20 Å²	20	58.4 Å²	58.4	8%	0.075	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-39.6	175.6	-62.1	-168.7	-60.9	121.1	0.5	111.9	S57 V58 K59 N78 N79 D84	S57-R61 PolarHBondContact O-NH2 3.06Å; V58-R61 WeakPolarHBondContact O-CB 3.32Å; V58-R61 PolarHBondContact O-N 3.12Å; K59-R61 PolarHBondContact O-N 3.03Å; R61-N78 WeakPolarHBondContact CB-O 3.17Å; R61-N78 WeakPolarHBondContact O-CB 3.32Å; R61-N78 PolarHBondContact O-N 2.78Å; R61-N78 PolarHBondContact O-ND2 2.78Å; R61-N79 PolarHBondContact NH1-O 2.86Å; R61-D84 IonicContact CZ-OD1 3.47Å; R61-D84 IonicContact CZ-OD2 3.73Å; R61-D84 IonicContact NH1-OD1 3.36Å; R61-D84 IonicContact NH1-OD2 3.07Å; R61-D84 PolarHBondContact NH1-OD2 2.87Å; R61-D84 IonicContact NH2-OD1 3.67Å; R61-D84 PolarHBondContact NH2-OD1 3.45Å; R61-D84 IonicContact NH2-OD2 2.76Å; R61-D84 PolarHBondContact NH2-OD2 3.33Å
62	F	93.3	Very high	88.9	Confident	4 Å²	4	56.8 Å²	56.8	2%	0.018	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	147.6	-175.7	-67.1	16.2	0	0	0	110.7	V40 Y54 V58 L75 Q76 M77 L80 D84 Y88	V40-F62 HydrophobicContact CG1-CD2 3.83Å; V40-F62 HydrophobicContact CG1-CE2 4.15Å; Y54-F62 VanDerWaalsContact CE1-O 3.22Å; Y54-F62 WeakPolarHBondContact CE1-O 3.46Å; V58-F62 HydrophobicContact CB-CB 4.09Å; V58-F62 HydrophobicContact CB-CD1 4.19Å; V58-F62 HydrophobicContact CB-CD2 3.63Å; V58-F62 HydrophobicContact CB-CE2 4.02Å; V58-F62 HydrophobicContact CB-CG 3.72Å; V58-F62 HydrophobicContact CB-CZ 4.43Å; V58-F62 HydrophobicContact CG1-CD2 3.71Å; V58-F62 HydrophobicContact CG1-CE1 4.45Å; V58-F62 HydrophobicContact CG1-CE2 3.57Å; V58-F62 HydrophobicContact CG1-CG 4.23Å; V58-F62 HydrophobicContact CG1-CZ 3.96Å; V58-F62 HydrophobicContact CG2-CB 4.29Å; V58-F62 HydrophobicContact CG2-CD2 4.11Å; V58-F62 HydrophobicContact CG2-CG 4.33Å; V58-F62 PolarHBondContact O-N 3.23Å; F62-L75 HydrophobicContact CB-CD1 4.26Å; F62-L75 HydrophobicContact CD2-CD2 4.21Å; F62-Q76 CarbonylContact C-O 3.58Å; F62-Q76 VanDerWaalsContact CA-O 3.23Å; F62-Q76 WeakPolarHBondContact CA-O 3.45Å; F62-M77 HydrophobicContact CD1-CB 3.83Å; F62-M77 HydrophobicContact CD1-CG 4.19Å; F62-M77 HydrophobicContact CD2-CB 4.31Å; F62-M77 HydrophobicContact CD2-CG 3.77Å; F62-M77 HydrophobicContact CD2-SD 4.41Å; F62-M77 HydrophobicContact CE1-CB 3.69Å; F62-M77 HydrophobicContact CE1-CG 4.17Å; F62-M77 HydrophobicContact CE2-CB 4.15Å; F62-M77 HydrophobicContact CE2-CG 3.71Å; F62-M77 HydrophobicContact CE2-SD 3.86Å; F62-M77 HydrophobicContact CG-CB 4.17Å; F62-M77 HydrophobicContact CG-CG 4.03Å; F62-M77 HydrophobicContact CZ-CB 3.86Å; F62-M77 HydrophobicContact CZ-CG 3.94Å; F62-M77 HydrophobicContact CZ-SD 4.15Å; F62-L80 HydrophobicContact CE1-CD2 4.06Å; F62-L80 HydrophobicContact CZ-CD2 3.81Å; F62-D84 HydrophobicContact CZ-CB 4.07Å; F62-Y88 HydrophobicContact CE2-CE1 4.41Å
63	T	94.6	Very high	88.7	Confident	73 Å²	73	54.1 Å²	54.1	45%	0.448	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	119	179	-52.3	0	0	0	0	109.5	Q76	T63-Q76 PolarHBondContact N-O 3.42Å; T63-Q76 PolarHBondContact O-N 2.82Å
64	I	91.8	Very high	88.6	Confident	6 Å²	6	52.5 Å²	52.5	3%	0.031	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	140.8	174.6	-167.5	166.8	0	0	0	109.8	M26 A41 I43 T52 Y54 V73 Y74 L75	M26-I64 HydrophobicContact CB-CD1 4.41Å; M26-I64 HydrophobicContact CG-CD1 3.82Å; A41-I64 HydrophobicContact CB-CB 4.06Å; A41-I64 HydrophobicContact CB-CD1 4.09Å; A41-I64 HydrophobicContact CB-CG2 4.15Å; I43-I64 HydrophobicContact CB-CD1 4.12Å; I43-I64 HydrophobicContact CB-CG1 4.11Å; I43-I64 HydrophobicContact CB-CG2 3.97Å; I43-I64 HydrophobicContact CG2-CD1 3.73Å; I43-I64 HydrophobicContact CG2-CG1 3.85Å; T52-I64 HydrophobicContact CG2-CG2 3.77Å; Y54-I64 HydrophobicContact CE1-CB 4.29Å; Y54-I64 HydrophobicContact CE1-CG2 3.88Å; Y54-I64 PolarHBondContact OH-N 2.95Å; I64-V73 HydrophobicContact CD1-CG1 4.07Å; I64-V73 HydrophobicContact CG1-CG1 4.07Å; I64-Y74 CarbonylContact C-O 3.57Å; I64-Y74 WeakPolarHBondContact CA-O 3.21Å; I64-L75 HydrophobicContact CB-CD1 3.98Å; I64-L75 HydrophobicContact CG1-CD1 4.49Å
65	S	90.4	Very high	88.6	Confident	48 Å²	48	50 Å²	50	34%	0.336	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	162.3	178.9	57.7	0	0	0	0	110.1	V73 Y74	S65-V73 CarbonylContact O-C 3.51Å; S65-V73 WeakPolarHBondContact O-CA 2.96Å; S65-Y74 PolarHBondContact N-O 2.73Å; S65-Y74 PolarHBondContact O-N 2.86Å; S65-Y74 PolarHBondContact OG-O 2.94Å
66	R	86.8	Confident	88.8	Confident	35 Å²	35	52.2 Å²	52.2	13%	0.132	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	151.6	176.9	66	-170.7	-80.6	171.3	-0.5	111.3	F21 S22 I43 R44 Y50 D68 G72 V73	F21-R66 PolarHBondContact O-NH2 3.36Å; S22-R66 PolarHBondContact O-NH1 3.07Å; I43-R66 HydrophobicContact CD1-CB 4.19Å; I43-R66 HydrophobicContact CD1-CG 3.69Å; I43-R66 HydrophobicContact CG1-CG 4.29Å; I43-R66 HydrophobicContact CG2-CB 4.44Å; R44-R66 PolarHBondContact O-NH1 3.47Å; Y50-R66 HydrophobicContact CD1-CG 4.28Å; Y50-R66 HydrophobicContact CE1-CG 4.39Å; R66-D68 IonicContact CZ-OD1 2.74Å; R66-D68 IonicContact NE-OD1 3.26Å; R66-D68 PolarHBondContact NE-OD1 3.44Å; R66-D68 IonicContact NH2-OD1 3.41Å; R66-D68 PolarHBondContact NH2-OD1 2.84Å; R66-G72 CarbonylContact C-O 3.48Å; R66-G72 VanDerWaalsContact CA-O 3.27Å; R66-G72 WeakPolarHBondContact CA-O 3.36Å; R66-V73 HydrophobicContact CB-CG2 4.13Å
67	D	86.4	Confident	88.8	Confident	41 Å²	41	45.3 Å²	45.3	22%	0.219	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	100.2	172.6	-175.5	-18.5	0	0	0	107.8	S69 K70 S71 G72 Y74	D67-S69 PolarHBondContact O-N 2.87Å; D67-S69 WeakPolarHBondContact OD1-CB 3.23Å; D67-S69 PolarHBondContact OD1-N 3.04Å; D67-S69 PolarHBondContact OD1-OG 3.41Å; D67-K70 HydrophobicContact CB-CB 4.27Å; D67-K70 PolarHBondContact O-N 3.06Å; D67-K70 PolarHBondContact OD1-N 3.36Å; D67-K70 WeakPolarHBondContact OD2-CD 3.45Å; D67-K70 VanDerWaalsContact OD2-CE 3.24Å; D67-K70 WeakPolarHBondContact OD2-CE 3.36Å; D67-K70 WeakPolarHBondContact OD2-CG 3.45Å; D67-K70 IonicContact OD2-NZ 2.66Å; D67-S71 PolarHBondContact O-N 2.99Å; D67-G72 PolarHBondContact N-O 2.79Å; D67-G72 PolarHBondContact O-N 2.98Å; D67-Y74 HydrophobicContact CB-CE2 3.89Å
68	D	82.2	Confident	89	Confident	58 Å²	58	44.6 Å²	44.6	31%	0.31	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-28.8	-178.7	-68.4	-25.3	0	0	0	111.7	Y50 R66 K70 S71	Y50-D68 WeakPolarHBondContact CE1-OD2 3.24Å; Y50-D68 PolarHBondContact OH-OD2 3.28Å; R66-D68 IonicContact CZ-OD1 2.74Å; R66-D68 IonicContact NE-OD1 3.26Å; R66-D68 PolarHBondContact NE-OD1 3.44Å; R66-D68 IonicContact NH2-OD1 3.41Å; R66-D68 PolarHBondContact NH2-OD1 2.84Å; D68-K70 VanDerWaalsContact C-N 3.3Å; D68-K70 PolarHBondContact O-N 3.3Å; D68-S71 PolarHBondContact O-N 3.41Å
69	S	83.3	Confident	89	Confident	105 Å²	105	48.6 Å²	48.6	73%	0.734	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-32	178.8	76.1	0	0	0	0	112.2	D67	D67-S69 PolarHBondContact O-N 2.87Å; D67-S69 WeakPolarHBondContact OD1-CB 3.23Å; D67-S69 PolarHBondContact OD1-N 3.04Å; D67-S69 PolarHBondContact OD1-OG 3.41Å
70	K	82.3	Confident	88.8	Confident	141 Å²	141	43.3 Å²	43.3	61%	0.613	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-0.4	177.7	-63.6	-177.9	-167.2	163.2	0	113.1	D67 D68 G72	D67-K70 HydrophobicContact CB-CB 4.27Å; D67-K70 PolarHBondContact O-N 3.06Å; D67-K70 PolarHBondContact OD1-N 3.36Å; D67-K70 WeakPolarHBondContact OD2-CD 3.45Å; D67-K70 VanDerWaalsContact OD2-CE 3.24Å; D67-K70 WeakPolarHBondContact OD2-CE 3.36Å; D67-K70 WeakPolarHBondContact OD2-CG 3.45Å; D67-K70 IonicContact OD2-NZ 2.66Å; D68-K70 VanDerWaalsContact C-N 3.3Å; D68-K70 PolarHBondContact O-N 3.3Å; K70-G72 PolarHBondContact O-N 2.03Å
71	S	79.7	Confident	88.6	Confident	36 Å²	36	45.1 Å²	45.1	25%	0.252	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.8	50.6	-167.8	-59.8	0	0	0	0	110.3	A15 A16 F21 D67 D68	A15-S71 WeakPolarHBondContact CA-O 3.37Å; A16-S71 PolarHBondContact N-O 2.97Å; F21-S71 WeakPolarHBondContact CE2-O 3.47Å; D67-S71 PolarHBondContact O-N 2.99Å; D68-S71 PolarHBondContact O-N 3.41Å
72	G	84.4	Confident	88	Confident	2 Å²	2	47.9 Å²	47.9	2%	0.021	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	140.4	179.7	0	0	0	0	0	113.8	C14 R66 D67 K70	C14-G72 CarbonylContact O-C 3.59Å; C14-G72 WeakPolarHBondContact O-CA 3.22Å; R66-G72 CarbonylContact C-O 3.48Å; R66-G72 VanDerWaalsContact CA-O 3.27Å; R66-G72 WeakPolarHBondContact CA-O 3.36Å; D67-G72 PolarHBondContact N-O 2.79Å; D67-G72 PolarHBondContact O-N 2.98Å; K70-G72 PolarHBondContact O-N 2.03Å
73	V	87.4	Confident	87.5	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.006	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	139.1	166.6	178.7	0	0	0	0	108.1	C14 F21 A24 M26 I43 I64 S65 R66	C14-V73 HydrophobicContact CB-CB 4.39Å; C14-V73 PolarHBondContact N-O 3.44Å; C14-V73 PolarHBondContact O-N 2.97Å; F21-V73 HydrophobicContact CD1-CG2 4.35Å; F21-V73 HydrophobicContact CD2-CG2 4.25Å; F21-V73 HydrophobicContact CE1-CG2 3.92Å; F21-V73 HydrophobicContact CE2-CG2 3.74Å; F21-V73 HydrophobicContact CZ-CB 4.42Å; F21-V73 HydrophobicContact CZ-CG2 3.6Å; A24-V73 HydrophobicContact CB-CG1 4.36Å; A24-V73 HydrophobicContact CB-CG2 3.62Å; M26-V73 HydrophobicContact CE-CB 4.18Å; M26-V73 HydrophobicContact CE-CG1 3.66Å; I43-V73 HydrophobicContact CG2-CG1 4.22Å; I64-V73 HydrophobicContact CD1-CG1 4.07Å; I64-V73 HydrophobicContact CG1-CG1 4.07Å; S65-V73 CarbonylContact O-C 3.51Å; S65-V73 WeakPolarHBondContact O-CA 2.96Å; R66-V73 HydrophobicContact CB-CG2 4.13Å
74	Y	89.4	Confident	87	Confident	45 Å²	45	52 Å²	52	18%	0.176	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	136.3	-176.7	-48.1	-83.2	0	0	0	110.9	K11 L12 I64 S65 D67	K11-Y74 VanDerWaalsContact CE-CB 3.43Å; L12-Y74 CarbonylContact O-C 3.5Å; L12-Y74 WeakPolarHBondContact O-CA 3.21Å; I64-Y74 CarbonylContact C-O 3.57Å; I64-Y74 WeakPolarHBondContact CA-O 3.21Å; S65-Y74 PolarHBondContact N-O 2.73Å; S65-Y74 PolarHBondContact O-N 2.86Å; S65-Y74 PolarHBondContact OG-O 2.94Å; D67-Y74 HydrophobicContact CB-CE2 3.89Å
75	L	91.2	Very high	86.7	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	108.6	172.4	-175.4	68.8	0	0	0	108.4	K11 L12 M26 V40 A41 F62 I64 M77 Y88	K11-L75 WeakPolarHBondContact CA-O 3.45Å; L12-L75 HydrophobicContact CB-CB 4.22Å; L12-L75 HydrophobicContact CD1-CD2 4.47Å; L12-L75 PolarHBondContact N-O 3.33Å; L12-L75 PolarHBondContact O-N 2.78Å; M26-L75 HydrophobicContact CB-CD2 4.29Å; M26-L75 HydrophobicContact CG-CB 4.42Å; M26-L75 HydrophobicContact CG-CD2 4.45Å; V40-L75 HydrophobicContact CG1-CD2 4.1Å; A41-L75 HydrophobicContact CB-CD1 4.05Å; F62-L75 HydrophobicContact CB-CD1 4.26Å; F62-L75 HydrophobicContact CD2-CD2 4.21Å; I64-L75 HydrophobicContact CB-CD1 3.98Å; I64-L75 HydrophobicContact CG1-CD1 4.49Å; L75-M77 HydrophobicContact CD2-CG 4.03Å; L75-M77 HydrophobicContact CD2-SD 4.12Å; L75-M77 HydrophobicContact CG-CG 3.93Å; L75-Y88 HydrophobicContact CD2-CD1 4.4Å
76	Q	93.3	Very high	86.4	Confident	59 Å²	59	51.8 Å²	51.8	28%	0.276	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	118.1	170.2	-177.7	64.6	37.8	0	0	108	F62 T63 N78	F62-Q76 CarbonylContact C-O 3.58Å; F62-Q76 VanDerWaalsContact CA-O 3.23Å; F62-Q76 WeakPolarHBondContact CA-O 3.45Å; T63-Q76 PolarHBondContact N-O 3.42Å; T63-Q76 PolarHBondContact O-N 2.82Å; Q76-N78 PolarHBondContact NE2-OD1 2.82Å
77	M	91.4	Very high	86.3	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	114.4	179.5	-54.3	178.8	-54.9	0	0	107.6	S9 M10 L12 F62 L75 L80 Y88 I109	S9-M77 CarbonylContact C-O 3.57Å; S9-M77 WeakPolarHBondContact CA-O 3.41Å; S9-M77 WeakPolarHBondContact CB-O 3.45Å; M10-M77 HydrophobicContact CB-CE 3.81Å; M10-M77 HydrophobicContact CG-CE 4.02Å; M10-M77 PolarHBondContact N-O 2.88Å; M10-M77 PolarHBondContact O-N 2.82Å; M10-M77 HydrophobicContact SD-CE 4.18Å; L12-M77 HydrophobicContact CD1-CE 3.93Å; L12-M77 HydrophobicContact CD1-SD 3.84Å; L12-M77 HydrophobicContact CG-CE 3.93Å; L12-M77 HydrophobicContact CG-SD 4.38Å; F62-M77 HydrophobicContact CD1-CB 3.83Å; F62-M77 HydrophobicContact CD1-CG 4.19Å; F62-M77 HydrophobicContact CD2-CB 4.31Å; F62-M77 HydrophobicContact CD2-CG 3.77Å; F62-M77 HydrophobicContact CD2-SD 4.41Å; F62-M77 HydrophobicContact CE1-CB 3.69Å; F62-M77 HydrophobicContact CE1-CG 4.17Å; F62-M77 HydrophobicContact CE2-CB 4.15Å; F62-M77 HydrophobicContact CE2-CG 3.71Å; F62-M77 HydrophobicContact CE2-SD 3.86Å; F62-M77 HydrophobicContact CG-CB 4.17Å; F62-M77 HydrophobicContact CG-CG 4.03Å; F62-M77 HydrophobicContact CZ-CB 3.86Å; F62-M77 HydrophobicContact CZ-CG 3.94Å; F62-M77 HydrophobicContact CZ-SD 4.15Å; L75-M77 HydrophobicContact CD2-CG 4.03Å; L75-M77 HydrophobicContact CD2-SD 4.12Å; L75-M77 HydrophobicContact CG-CG 3.93Å; M77-L80 HydrophobicContact CB-CD2 3.9Å; M77-L80 HydrophobicContact CB-CG 4.22Å; M77-L80 HydrophobicContact CE-CD1 4.35Å; M77-L80 HydrophobicContact CE-CD2 4.26Å; M77-L80 HydrophobicContact SD-CD2 4.34Å; M77-Y88 HydrophobicContact SD-CE1 4.14Å; M77-Y88 HydrophobicContact SD-CE2 4.49Å; M77-I109 HydrophobicContact CE-CD1 4.43Å; M77-I109 HydrophobicContact CE-CG1 4.15Å; M77-I109 HydrophobicContact CE-CG2 3.86Å
78	N	91.8	Very high	86.2	Confident	53 Å²	53	52 Å²	52	28%	0.283	28%	0.275	S	S	.	.			trans	-111	154	177.7	-54.7	-57.2	0	0	0	110.4	S9 R61 Q76 L80	S9-N78 WeakPolarHBondContact CB-OD1 3.13Å; S9-N78 WeakPolarHBondContact OG-CA 3.49Å; S9-N78 PolarHBondContact OG-OD1 2.89Å; R61-N78 WeakPolarHBondContact CB-O 3.17Å; R61-N78 WeakPolarHBondContact O-CB 3.32Å; R61-N78 PolarHBondContact O-N 2.78Å; R61-N78 PolarHBondContact O-ND2 2.78Å; Q76-N78 PolarHBondContact NE2-OD1 2.82Å; N78-L80 VanDerWaalsContact C-N 3.33Å; N78-L80 PolarHBondContact O-N 3.01Å
79	N	90	Very high	86.2	Confident	88 Å²	88	52 Å²	52	47%	0.471	27%	0.271	S	S	.	.	S	Bend	trans	52	53.6	177.9	-170	26.4	0	0	0	111.4	G8 R61	G8-N79 PolarHBondContact O-N 3.05Å; R61-N79 PolarHBondContact NH1-O 2.86Å
80	L	88.1	Confident	86.2	Confident	11 Å²	11	47.7 Å²	47.7	6%	0.058	24%	0.241	C	C	.	.			trans	-61.6	136.7	-179.2	-80.1	164.8	0	0	0	111	V4 G7 G8 M10 F62 M77 N78 D84 I109	V4-L80 HydrophobicContact CB-CD1 4.19Å; V4-L80 HydrophobicContact CG1-CD1 3.75Å; G7-L80 PolarHBondContact N-O 2.92Å; G8-L80 PolarHBondContact O-N 2.84Å; M10-L80 HydrophobicContact CB-CD1 4.16Å; F62-L80 HydrophobicContact CE1-CD2 4.06Å; F62-L80 HydrophobicContact CZ-CD2 3.81Å; M77-L80 HydrophobicContact CB-CD2 3.9Å; M77-L80 HydrophobicContact CB-CG 4.22Å; M77-L80 HydrophobicContact CE-CD1 4.35Å; M77-L80 HydrophobicContact CE-CD2 4.26Å; M77-L80 HydrophobicContact SD-CD2 4.34Å; N78-L80 VanDerWaalsContact C-N 3.33Å; N78-L80 PolarHBondContact O-N 3.01Å; L80-D84 HydrophobicContact CD2-CB 3.76Å; L80-I109 HydrophobicContact CD1-CG2 4.48Å
81	R	87.4	Confident	86	Confident	121 Å²	121	41 Å²	41	46%	0.457	21%	0.212	S	C	.	.			trans	-107.9	161.2	175.9	-60.2	173.6	-178	176.9	-0.3	108.8	E83 D84	R81-E83 PolarHBondContact O-N 2.79Å; R81-E83 VanDerWaalsContact O-N 3.16Å; R81-D84 WeakPolarHBondContact CB-OD2 3.35Å; R81-D84 PolarHBondContact N-OD2 3.25Å; R81-D84 WeakPolarHBondContact O-CB 3.46Å; R81-D84 PolarHBondContact O-N 3.02Å
82	A	83	Confident	85.7	Confident	78 Å²	78	42.5 Å²	42.5	65%	0.645	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-58.2	-28.5	175.2	0	0	0	0	0	112.7	D84 T85	A82-D84 VanDerWaalsContact C-N 3.27Å; A82-D84 PolarHBondContact O-N 3.34Å; A82-T85 WeakPolarHBondContact O-CB 3.06Å; A82-T85 PolarHBondContact O-N 3.06Å; A82-T85 PolarHBondContact O-OG1 2.94Å
83	E	82.9	Confident	84.8	Confident	151 Å²	151	42.6 Å²	42.6	71%	0.706	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-70.5	-21.3	176.4	-64.6	165.3	-144.9	0	0	113.5	R81 T85	R81-E83 PolarHBondContact O-N 2.79Å; R81-E83 VanDerWaalsContact O-N 3.16Å; E83-T85 VanDerWaalsContact C-N 3.27Å
84	D	84.8	Confident	83.2	Confident	13 Å²	13	43.8 Å²	43.8	7%	0.07	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-83.5	-5.9	178.4	-53.7	-50.9	0	0	0	111.8	R61 F62 L80 R81 A82 G86 Y88	R61-D84 IonicContact CZ-OD1 3.47Å; R61-D84 IonicContact CZ-OD2 3.73Å; R61-D84 IonicContact NH1-OD1 3.36Å; R61-D84 IonicContact NH1-OD2 3.07Å; R61-D84 PolarHBondContact NH1-OD2 2.87Å; R61-D84 IonicContact NH2-OD1 3.67Å; R61-D84 PolarHBondContact NH2-OD1 3.45Å; R61-D84 IonicContact NH2-OD2 2.76Å; R61-D84 PolarHBondContact NH2-OD2 3.33Å; F62-D84 HydrophobicContact CZ-CB 4.07Å; L80-D84 HydrophobicContact CD2-CB 3.76Å; R81-D84 WeakPolarHBondContact CB-OD2 3.35Å; R81-D84 PolarHBondContact N-OD2 3.25Å; R81-D84 WeakPolarHBondContact O-CB 3.46Å; R81-D84 PolarHBondContact O-N 3.02Å; A82-D84 VanDerWaalsContact C-N 3.27Å; A82-D84 PolarHBondContact O-N 3.34Å; D84-G86 PolarHBondContact O-N 2.78Å; D84-Y88 VanDerWaalsContact O-CE2 3.24Å; D84-Y88 WeakPolarHBondContact O-CE2 3.26Å; D84-Y88 PolarHBondContact O-OH 2.8Å
85	T	83.9	Confident	81.1	Confident	49 Å²	49	45.6 Å²	45.6	30%	0.301	25%	0.25	S	C	.	.			trans	-70.7	126.4	178.1	-63.2	0	0	0	0	110.1	Q31 A82 E83 I109	Q31-T85 PolarHBondContact N-O 2.79Å; Q31-T85 VanDerWaalsContact OE1-CG2 3.3Å; A82-T85 WeakPolarHBondContact O-CB 3.06Å; A82-T85 PolarHBondContact O-N 3.06Å; A82-T85 PolarHBondContact O-OG1 2.94Å; E83-T85 VanDerWaalsContact C-N 3.27Å; T85-I109 WeakPolarHBondContact CA-O 3.38Å; T85-I109 WeakPolarHBondContact CG2-O 3.19Å
86	G	85.3	Confident	79	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.01	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.8	-177.3	-170.4	0	0	0	0	0	113.5	V29 D84 I109	V29-G86 CarbonylContact O-C 3.45Å; V29-G86 WeakPolarHBondContact O-CA 3.29Å; D84-G86 PolarHBondContact O-N 2.78Å; G86-I109 PolarHBondContact N-O 2.99Å; G86-I109 PolarHBondContact O-N 2.74Å
87	I	84.2	Confident	76.7	Confident	63 Å²	63	63 Å²	63	32%	0.323	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	119.6	176.3	-54.2	175.5	0	0	0	108.7	V29 Y89 T107 L108	V29-I87 PolarHBondContact N-O 2.91Å; V29-I87 PolarHBondContact O-N 2.74Å; I87-Y89 HydrophobicContact CB-CE2 3.92Å; I87-Y89 HydrophobicContact CG2-CD2 4.23Å; I87-Y89 HydrophobicContact CG2-CE1 4.1Å; I87-Y89 HydrophobicContact CG2-CE2 3.5Å; I87-Y89 VanDerWaalsContact CG2-CZ 3.44Å; I87-Y89 WeakPolarHBondContact CG2-OH 3.49Å; I87-T107 WeakPolarHBondContact CA-O 3.38Å; I87-L108 HydrophobicContact CG1-CD1 3.97Å
88	Y	84	Confident	74.6	Confident	16 Å²	16	66.7 Å²	66.7	6%	0.063	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	127.1	179.1	-71.7	-99.7	0	0	0	110.8	L12 D27 V40 F62 L75 M77 D84 G106 T107 I109	L12-Y88 HydrophobicContact CD1-CD1 4.06Å; L12-Y88 HydrophobicContact CD1-CD2 4.18Å; L12-Y88 HydrophobicContact CD1-CG 3.67Å; D27-Y88 CarbonylContact O-C 3.58Å; D27-Y88 WeakPolarHBondContact O-CA 3.3Å; V40-Y88 HydrophobicContact CG1-CE1 4.33Å; V40-Y88 HydrophobicContact CG2-CD1 4.42Å; V40-Y88 HydrophobicContact CG2-CE1 4.01Å; F62-Y88 HydrophobicContact CE2-CE1 4.41Å; L75-Y88 HydrophobicContact CD2-CD1 4.4Å; M77-Y88 HydrophobicContact SD-CE1 4.14Å; M77-Y88 HydrophobicContact SD-CE2 4.49Å; D84-Y88 VanDerWaalsContact O-CE2 3.24Å; D84-Y88 WeakPolarHBondContact O-CE2 3.26Å; D84-Y88 PolarHBondContact O-OH 2.8Å; Y88-G106 CarbonylContact O-C 3.52Å; Y88-G106 VanDerWaalsContact O-CA 3.23Å; Y88-G106 WeakPolarHBondContact O-CA 3.37Å; Y88-T107 PolarHBondContact N-O 2.58Å; Y88-T107 PolarHBondContact O-N 2.73Å; Y88-I109 HydrophobicContact CD2-CB 4.23Å; Y88-I109 HydrophobicContact CD2-CG1 3.51Å; Y88-I109 HydrophobicContact CE2-CB 4.12Å; Y88-I109 HydrophobicContact CE2-CG1 3.86Å; Y88-I109 HydrophobicContact CG-CG1 4.44Å
89	Y	82.9	Confident	72.6	Confident	59 Å²	59	69.4 Å²	69.4	23%	0.231	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	133.7	177.7	-61.6	-87.1	0	0	0	110.1	M26 D27 V29 L37 I87 W103	M26-Y89 WeakPolarHBondContact CA-O 3.22Å; D27-Y89 PolarHBondContact N-O 2.78Å; D27-Y89 PolarHBondContact O-N 3.3Å; V29-Y89 HydrophobicContact CB-CE2 4.26Å; V29-Y89 HydrophobicContact CG2-CD2 3.97Å; V29-Y89 HydrophobicContact CG2-CE2 3.54Å; L37-Y89 HydrophobicContact CD1-CD2 4.34Å; I87-Y89 HydrophobicContact CB-CE2 3.92Å; I87-Y89 HydrophobicContact CG2-CD2 4.23Å; I87-Y89 HydrophobicContact CG2-CE1 4.1Å; I87-Y89 HydrophobicContact CG2-CE2 3.5Å; I87-Y89 VanDerWaalsContact CG2-CZ 3.44Å; I87-Y89 WeakPolarHBondContact CG2-OH 3.49Å; Y89-W103 AromaticContact CD1-CE3 3.91Å; Y89-W103 HydrophobicContact CD1-CE3 3.91Å; Y89-W103 HydrophobicContact CD1-CZ3 4.35Å; Y89-W103 HydrophobicContact CD2-CE3 4.49Å; Y89-W103 HydrophobicContact CD2-CZ3 4.12Å; Y89-W103 AromaticContact CG-CE3 3.75Å; Y89-W103 HydrophobicContact CG-CE3 3.75Å; Y89-W103 AromaticContact CG-CZ3 3.77Å; Y89-W103 HydrophobicContact CG-CZ3 3.77Å
90	C	82.6	Confident	71.1	Confident	15 Å²	15	68.3 Å²	68.3	10%	0.101	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	125.6	166.9	177.6	0	0	0	0	108.4	C14 M26 G104	C14-C90 HydrophobicContact CB-CB 3.4Å; C14-C90 WeakPolarHBondContact CB-SG 3.46Å; C14-C90 WeakPolarHBondContact SG-CB 3.12Å; C14-C90 CovalentContact SG-SG 2.03Å; C14-C90 PolarHBondContact SG-SG 2.76Å; M26-C90 HydrophobicContact CE-CB 4.01Å; M26-C90 HydrophobicContact SD-CB 3.86Å; C90-G104 PolarHBondContact O-N 3.37Å
91	T	78.3	Confident	69.6	Low	1 Å²	1	70.8 Å²	70.8	1%	0.006	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	139.7	-179.9	61.9	0	0	0	0	110.2	R25 D27 Y102 W103	R25-T91 WeakPolarHBondContact CB-OG1 3.05Å; R25-T91 PolarHBondContact N-O 3.2Å; R25-T91 PolarHBondContact O-N 2.78Å; R25-T91 VanDerWaalsContact O-O 3.08Å; R25-T91 PolarHBondContact O-OG1 3.4Å; D27-T91 WeakPolarHBondContact OD2-CG2 3.36Å; D27-T91 PolarHBondContact OD2-OG1 2.94Å; T91-Y102 VanDerWaalsContact CA-O 3.32Å; T91-Y102 WeakPolarHBondContact CA-O 3.15Å; T91-W103 HydrophobicContact CG2-CD2 3.57Å; T91-W103 HydrophobicContact CG2-CE3 3.69Å; T91-W103 HydrophobicContact CG2-CG 4.15Å; T91-W103 HydrophobicContact CG2-CH2 3.71Å; T91-W103 HydrophobicContact CG2-CZ2 3.7Å; T91-W103 HydrophobicContact CG2-CZ3 3.76Å
92	R	73.5	Confident	68.7	Low	66 Å²	66	71.3 Å²	71.3	25%	0.249	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	115.6	171.2	178.1	178.2	164.6	-164.7	-5.9	108.9	S22 G94 F100 Y102	S22-R92 WeakPolarHBondContact OG-CG 3.27Å; S22-R92 PolarHBondContact OG-NE 3.25Å; R92-G94 PolarHBondContact O-N 3.18Å; R92-F100 WeakPolarHBondContact O-CA 3.43Å; R92-Y102 PolarHBondContact N-O 3.28Å
93	G	64.7	Low	68.2	Low	4 Å²	4	73.4 Å²	73.4	4%	0.041	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	115.2	167.7	0	0	0	0	0	110.2	S22 D23	S22-G93 PolarHBondContact OG-O 3.13Å; D23-G93 WeakPolarHBondContact O-CA 3.47Å; D23-G93 PolarHBondContact O-N 3.21Å
94	G	53.9	Low	67.7	Low	26 Å²	26	67.8 Å²	67.8	27%	0.268	36%	0.361	S	S	.	.			trans	-80.5	150.7	165.9	0	0	0	0	0	110	R92 C98	R92-G94 PolarHBondContact O-N 3.18Å; G94-C98 WeakPolarHBondContact CA-O 2.95Å
95	A	46.1	Very low	67.3	Low	83 Å²	83	76.9 Å²	76.9	69%	0.686	40%	0.403	S	S	*	.			trans	-49.6	156.4	171.1	0	0	0	0	0	111	W97 C98	A95-W97 PolarHBondContact O-N 3.18Å; A95-C98 PolarHBondContact O-N 2.93Å
96	L	47.7	Very low	67	Low	181 Å²	181	75.6 Å²	75.6	95%	0.948	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-34.9	-1.3	-170.1	-70	162.2	0	0	0	120.2
97	W	44.4	Very low	66.7	Low	243 Å²	243	78.1 Å²	78.1	92%	0.92	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.1	-6.4	-177.6	-73.6	63.6	0	0	0	114.6	A95	A95-W97 PolarHBondContact O-N 3.18Å
98	C	46.9	Very low	66.5	Low	78 Å²	78	79.8 Å²	79.8	53%	0.527	42%	0.424	S	S	.	.	S	Bend	trans	-136	98.9	176.2	-70.7	0	0	0	0	111.2	G94 A95 F100	G94-C98 WeakPolarHBondContact CA-O 2.95Å; A95-C98 PolarHBondContact O-N 2.93Å; C98-F100 PolarHBondContact O-N 3.04Å
99	P	50.1	Low	66	Low	110 Å²	110	79.8 Å²	79.8	71%	0.714	42%	0.424	S	S	*	.	S	Bend	trans	-69.5	120.4	179.1	28	-30.4	0	0	0	109.7	A101	P99-A101 PolarHBondContact O-N 3.32Å
100	F	58.1	Low	65.1	Low	66 Å²	66	80.8 Å²	80.8	29%	0.289	43%	0.434	S	S	.	.			trans	47.3	63.4	163.4	-44.1	-64.9	0	0	0	116.1	R25 R92 C98 Y102 W103	R25-F100 HydrophobicContact CB-CE1 4.4Å; R25-F100 HydrophobicContact CG-CE1 4.48Å; R92-F100 WeakPolarHBondContact O-CA 3.43Å; C98-F100 PolarHBondContact O-N 3.04Å; F100-Y102 VanDerWaalsContact C-N 3.26Å; F100-Y102 PolarHBondContact O-N 3.47Å; F100-W103 PolarHBondContact O-NE1 3.23Å
101	A	57.3	Low	64.2	Low	63 Å²	63	84.3 Å²	84.3	52%	0.521	45%	0.452	S	S	.	.			trans	-68.6	-15.8	-173.1	0	0	0	0	0	115.3	P99	P99-A101 PolarHBondContact O-N 3.32Å
102	Y	67.4	Low	63.4	Low	132 Å²	132	88.9 Å²	88.9	52%	0.518	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	132.6	-176.9	-61.6	-84.6	0	0	0	111.6	T91 R92 F100	T91-Y102 VanDerWaalsContact CA-O 3.32Å; T91-Y102 WeakPolarHBondContact CA-O 3.15Å; R92-Y102 PolarHBondContact N-O 3.28Å; F100-Y102 VanDerWaalsContact C-N 3.26Å; F100-Y102 PolarHBondContact O-N 3.47Å
103	W	72.3	Confident	62.8	Low	122 Å²	122	90.2 Å²	90.2	46%	0.462	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133.2	178.6	-71.8	67.8	0	0	0	109.4	L37 Y89 T91 F100	L37-W103 HydrophobicContact CD1-CH2 3.8Å; L37-W103 HydrophobicContact CD1-CZ3 3.82Å; L37-W103 HydrophobicContact CD2-CH2 3.4Å; L37-W103 VanDerWaalsContact CD2-CH2 3.4Å; L37-W103 HydrophobicContact CD2-CZ2 4.2Å; L37-W103 HydrophobicContact CD2-CZ3 4.25Å; L37-W103 HydrophobicContact CG-CH2 4.22Å; Y89-W103 AromaticContact CD1-CE3 3.91Å; Y89-W103 HydrophobicContact CD1-CE3 3.91Å; Y89-W103 HydrophobicContact CD1-CZ3 4.35Å; Y89-W103 HydrophobicContact CD2-CE3 4.49Å; Y89-W103 HydrophobicContact CD2-CZ3 4.12Å; Y89-W103 AromaticContact CG-CE3 3.75Å; Y89-W103 HydrophobicContact CG-CE3 3.75Å; Y89-W103 AromaticContact CG-CZ3 3.77Å; Y89-W103 HydrophobicContact CG-CZ3 3.77Å; T91-W103 HydrophobicContact CG2-CD2 3.57Å; T91-W103 HydrophobicContact CG2-CE3 3.69Å; T91-W103 HydrophobicContact CG2-CG 4.15Å; T91-W103 HydrophobicContact CG2-CH2 3.71Å; T91-W103 HydrophobicContact CG2-CZ2 3.7Å; T91-W103 HydrophobicContact CG2-CZ3 3.76Å; F100-W103 PolarHBondContact O-NE1 3.23Å
104	G	73.3	Confident	62.7	Low	32 Å²	32	95.6 Å²	95.6	33%	0.33	52%	0.518	S	S	.	.			trans	-69.8	166.2	166.7	0	0	0	0	0	111.7	C90 G106	C90-G104 PolarHBondContact O-N 3.37Å; G104-G106 PolarHBondContact O-N 3.02Å
105	Q	77.4	Confident	63.3	Low	205 Å²	205	100.3 Å²	100.3	96%	0.958	53%	0.534	S	S	*	.			trans	-64.1	-5.4	-179.3	-72	-178.7	-40.1	0	0	115
106	G	76.3	Confident	64.5	Low	21 Å²	21	101.5 Å²	101.5	22%	0.216	52%	0.524	C	S	.	.			trans	79.7	154.8	-175	0	0	0	0	0	112.2	Y88 G104	Y88-G106 CarbonylContact O-C 3.52Å; Y88-G106 VanDerWaalsContact O-CA 3.23Å; Y88-G106 WeakPolarHBondContact O-CA 3.37Å; G104-G106 PolarHBondContact O-N 3.02Å
107	T	79.8	Confident	65.8	Low	55 Å²	55	95.4 Å²	95.4	34%	0.337	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	127.8	168.9	-61.6	0	0	0	0	109.2	L12 I87 Y88 I109	L12-T107 HydrophobicContact CD2-CG2 4.06Å; I87-T107 WeakPolarHBondContact CA-O 3.38Å; Y88-T107 PolarHBondContact N-O 2.58Å; Y88-T107 PolarHBondContact O-N 2.73Å; T107-I109 HydrophobicContact CG2-CD1 3.88Å
108	L	79.4	Confident	67.6	Low	98 Å²	98	83.1 Å²	83.1	51%	0.513	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	132.7	172.7	-176.1	67.2	0	0	0	109.8	I87	I87-L108 HydrophobicContact CG1-CD1 3.97Å
109	I	73.1	Confident	69.5	Low	15 Å²	15	83.5 Å²	83.5	8%	0.077	45%	0.449	C	S	.	.			trans	-122.2	0	176.6	-45.4	-61.8	0	0	0	108.8	M10 L12 M77 L80 T85 G86 Y88 T107	M10-I109 HydrophobicContact CE-CD1 4.49Å; M10-I109 HydrophobicContact CE-CG2 4.38Å; M10-I109 HydrophobicContact SD-CD1 3.32Å; M10-I109 WeakPolarHBondContact SD-CD1 3.24Å; M10-I109 HydrophobicContact SD-CG1 4.34Å; M10-I109 HydrophobicContact SD-CG2 3.79Å; L12-I109 HydrophobicContact CD1-CD1 4.21Å; L12-I109 HydrophobicContact CD1-CG1 4.19Å; L12-I109 HydrophobicContact CD2-CD1 3.31Å; L12-I109 HydrophobicContact CD2-CG1 4.18Å; L12-I109 HydrophobicContact CG-CD1 4Å; L12-I109 HydrophobicContact CG-CG1 4.49Å; M77-I109 HydrophobicContact CE-CD1 4.43Å; M77-I109 HydrophobicContact CE-CG1 4.15Å; M77-I109 HydrophobicContact CE-CG2 3.86Å; L80-I109 HydrophobicContact CD1-CG2 4.48Å; T85-I109 WeakPolarHBondContact CA-O 3.38Å; T85-I109 WeakPolarHBondContact CG2-O 3.19Å; G86-I109 PolarHBondContact N-O 2.99Å; G86-I109 PolarHBondContact O-N 2.74Å; Y88-I109 HydrophobicContact CD2-CB 4.23Å; Y88-I109 HydrophobicContact CD2-CG1 3.51Å; Y88-I109 HydrophobicContact CE2-CB 4.12Å; Y88-I109 HydrophobicContact CE2-CG1 3.86Å; Y88-I109 HydrophobicContact CG-CG1 4.44Å; T107-I109 HydrophobicContact CG2-CD1 3.88Å

Retrieved 109 of 109 residues in 22.2 ms (Link to these results)

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