X5J5T1_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5T1, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 104 aa.

						>X5J5T1_MOUSE|X5J5T1
PELVKPGASGKVSCKASGYSFTDYNMYWVKQSHGKSLEWIGYIDPYNGGTSYNQKFKGKATLTVDKSSSTAFMHLNSLTSGDSAVYYCARSKNYDYGDYWGQGT
					

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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	52.5	Low	72.7	Confident	151 Å²	151	98.8 Å²	98.8	98%	0.981	58%	0.577	S	S	*	*				0	103.7	0	16	6.2	0	0	0	112.4
2	E	59.6	Low	74.4	Confident	147 Å²	147	92.2 Å²	92.2	69%	0.687	54%	0.539	S	S	*	.			trans	-87.4	119.9	172.2	-164	176.4	172.5	0	0	109.5	V4	E2-V4 HydrophobicContact CG-CG2 4.16Å
3	L	62.7	Low	76	Confident	175 Å²	175	90.5 Å²	90.5	92%	0.916	54%	0.535	S	S	*	.			trans	-93.3	108.4	179.3	-90	140.9	0	0	0	109.6
4	V	67.8	Low	77.3	Confident	55 Å²	55	85 Å²	85	33%	0.333	50%	0.503	S	S	.	.			trans	-111.8	139	-179.8	-168.7	0	0	0	0	109.8	E2 A8 L78	E2-V4 HydrophobicContact CG-CG2 4.16Å; V4-A8 HydrophobicContact CG1-CB 3.8Å; V4-L78 HydrophobicContact CB-CD1 3.9Å; V4-L78 HydrophobicContact CG1-CD1 3.73Å; V4-L78 HydrophobicContact CG2-CD1 4.37Å
5	K	70.3	Confident	78.5	Confident	171 Å²	171	89.7 Å²	89.7	74%	0.743	52%	0.515	S	S	*	.			trans	-67.6	143.5	177.7	-67.6	-177.1	-178.6	178.7	0	110.6	G7 A8	K5-G7 PolarHBondContact O-N 2.97Å; K5-A8 WeakPolarHBondContact O-CB 3.46Å; K5-A8 PolarHBondContact O-N 3.29Å; K5-A8 VanDerWaalsContact O-N 3.12Å
6	P	69	Low	79.3	Confident	111 Å²	111	84.8 Å²	84.8	72%	0.721	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	139.1	170.9	-23.6	33.3	0	0	0	111.5	A8	P6-A8 VanDerWaalsContact C-N 3.26Å; P6-A8 PolarHBondContact O-N 3.16Å
7	G	72.9	Confident	79.9	Confident	59 Å²	59	85.7 Å²	85.7	61%	0.608	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	-13.6	-176.2	0	0	0	0	0	114.9	K5 L78	K5-G7 PolarHBondContact O-N 2.97Å; G7-L78 PolarHBondContact N-O 3.23Å
8	A	80.8	Confident	80.4	Confident	39 Å²	39	86 Å²	86	32%	0.322	53%	0.525	S	S	.	.	S	Bend	trans	-81.6	164	172.6	0	0	0	0	0	111.5	V4 K5 P6 L78	V4-A8 HydrophobicContact CG1-CB 3.8Å; K5-A8 WeakPolarHBondContact O-CB 3.46Å; K5-A8 PolarHBondContact O-N 3.29Å; K5-A8 VanDerWaalsContact O-N 3.12Å; P6-A8 VanDerWaalsContact C-N 3.26Å; P6-A8 PolarHBondContact O-N 3.16Å; A8-L78 VanDerWaalsContact O-CB 3.32Å; A8-L78 WeakPolarHBondContact O-CB 3.29Å; A8-L78 WeakPolarHBondContact O-CG 3.33Å; A8-L78 PolarHBondContact O-N 3.26Å
9	S	85.8	Confident	80.7	Confident	75 Å²	75	84.4 Å²	84.4	52%	0.524	51%	0.509	S	S	.	.			trans	-90.9	142.5	171	-61.7	0	0	0	0	110.3	L75 N76	S9-L75 CarbonylContact C-O 3.52Å; S9-L75 WeakPolarHBondContact CA-O 3.3Å; S9-L75 WeakPolarHBondContact CB-O 3.42Å; S9-N76 PolarHBondContact OG-OD1 2.81Å
10	G	87.3	Confident	81.2	Confident	10 Å²	10	83.6 Å²	83.6	10%	0.103	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	155.8	174.4	0	0	0	0	0	111.3	H74 L75	G10-H74 WeakPolarHBondContact O-CA 3.33Å; G10-L75 PolarHBondContact N-O 3.31Å; G10-L75 PolarHBondContact O-N 3.01Å
11	K	91.3	Very high	81.7	Confident	94 Å²	94	79.9 Å²	79.9	41%	0.409	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	114.9	176.7	-174.3	-177.6	179.8	-176.3	0	109.9	F72 M73	K11-F72 HydrophobicContact CD-CD1 4.35Å; K11-F72 VanDerWaalsContact CE-CG 3.41Å; K11-F72 HydrophobicContact CG-CD1 4.49Å; K11-M73 WeakPolarHBondContact CA-O 2.91Å
12	V	92.9	Very high	83.6	Confident	19 Å²	19	75.1 Å²	75.1	12%	0.115	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	140	172.8	-166.7	0	0	0	0	108.7	W28 F72 M73 L75 Y86	V12-W28 HydrophobicContact CB-CH2 4.23Å; V12-W28 HydrophobicContact CB-CZ3 3.86Å; V12-W28 HydrophobicContact CG1-CH2 4.11Å; V12-W28 HydrophobicContact CG1-CZ3 3.57Å; V12-F72 CarbonylContact O-C 3.43Å; V12-F72 VanDerWaalsContact O-CA 3.27Å; V12-F72 WeakPolarHBondContact O-CA 3.45Å; V12-M73 HydrophobicContact CB-CB 4.48Å; V12-M73 HydrophobicContact CB-CE 4.3Å; V12-M73 HydrophobicContact CG2-CE 3.99Å; V12-M73 PolarHBondContact N-O 3.11Å; V12-M73 PolarHBondContact O-N 2.91Å; V12-L75 HydrophobicContact CG2-CD1 4.43Å; V12-Y86 HydrophobicContact CG2-CG 4.39Å
13	S	95.1	Very high	85.1	Confident	71 Å²	71	72.2 Å²	72.2	50%	0.497	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	144.5	178.7	71.9	0	0	0	0	111.4	A71 F72	S13-A71 CarbonylContact C-O 3.53Å; S13-A71 WeakPolarHBondContact CA-O 3.22Å; S13-F72 VanDerWaalsContact CB-CD1 3.45Å
14	C	94.8	Very high	86.4	Confident	13 Å²	13	65.3 Å²	65.3	9%	0.088	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	106.3	177.3	179.7	0	0	0	0	109.2	M26 W28 T70 A71 C88	C14-M26 VanDerWaalsContact SG-SD 3.68Å; C14-W28 HydrophobicContact CB-CH2 3.72Å; C14-W28 HydrophobicContact CB-CZ2 4Å; C14-W28 HydrophobicContact CB-CZ3 4.49Å; C14-T70 WeakPolarHBondContact O-CA 3.42Å; C14-A71 HydrophobicContact CB-CB 4.48Å; C14-A71 PolarHBondContact N-O 3.45Å; C14-A71 PolarHBondContact O-N 2.97Å; C14-C88 HydrophobicContact CB-CB 3.47Å; C14-C88 VanDerWaalsContact CB-CB 3.47Å; C14-C88 WeakPolarHBondContact CB-SG 3.46Å; C14-C88 WeakPolarHBondContact SG-CB 3.36Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.28Å
15	K	94.9	Very high	87.6	Confident	156 Å²	156	63 Å²	63	68%	0.678	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	125.3	-178	-174.1	172.2	-176.6	179.6	0	110.6	T70	K15-T70 HydrophobicContact CB-CG2 4.38Å
16	A	91	Very high	88.8	Confident	10 Å²	10	54.9 Å²	54.9	8%	0.083	35%	0.354	C	S	.	.			trans	-74.2	145.1	173.4	0	0	0	0	0	111.2	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CD2 4.49Å; A16-Y19 HydrophobicContact CB-CE1 3.84Å; A16-Y19 HydrophobicContact CB-CE2 3.69Å; A16-Y19 VanDerWaalsContact CB-OH 3.25Å; A16-Y19 WeakPolarHBondContact CB-OH 3.44Å; A16-F21 HydrophobicContact CB-CB 3.99Å; A16-F21 HydrophobicContact CB-CD2 3.53Å; A16-F21 HydrophobicContact CB-CE2 4.33Å; A16-F21 HydrophobicContact CB-CG 4.04Å; A16-S69 WeakPolarHBondContact CB-O 3.49Å; A16-S69 PolarHBondContact N-O 2.98Å
17	S	89.9	Confident	90	Very high	101 Å²	101	52.4 Å²	52.4	71%	0.706	33%	0.331	S	S	*	.			trans	-148	136.4	175.2	60.4	0	0	0	0	110.7	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.45Å; S17-Y19 VanDerWaalsContact O-CE1 3.32Å; S17-Y19 WeakPolarHBondContact O-CE1 3.27Å
18	G	88.5	Confident	91.1	Very high	91 Å²	91	49.7 Å²	49.7	94%	0.938	30%	0.302	S	S	*	.	S	Bend	trans	79.1	18.2	177.4	0	0	0	0	0	115.8
19	Y	86.3	Confident	91.8	Very high	56 Å²	56	48.1 Å²	48.1	22%	0.22	29%	0.289	C	S	.	.	S	Bend	trans	-160.5	162.1	176	59.5	-81.6	0	0	0	112.2	A16 S17 F21 Y24 R90	A16-Y19 HydrophobicContact CB-CD2 4.49Å; A16-Y19 HydrophobicContact CB-CE1 3.84Å; A16-Y19 HydrophobicContact CB-CE2 3.69Å; A16-Y19 VanDerWaalsContact CB-OH 3.25Å; A16-Y19 WeakPolarHBondContact CB-OH 3.44Å; S17-Y19 WeakPolarHBondContact O-CD1 3.45Å; S17-Y19 VanDerWaalsContact O-CE1 3.32Å; S17-Y19 WeakPolarHBondContact O-CE1 3.27Å; Y19-F21 PolarHBondContact O-N 3.14Å; Y19-F21 VanDerWaalsContact O-N 3.15Å; Y19-Y24 AromaticContact CD2-CD2 3.47Å; Y19-Y24 HydrophobicContact CD2-CD2 3.47Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.47Å; Y19-Y24 AromaticContact CD2-CE2 3.66Å; Y19-Y24 HydrophobicContact CD2-CE2 3.66Å; Y19-Y24 HydrophobicContact CD2-CG 4.27Å; Y19-Y24 AromaticContact CE2-CD2 3.91Å; Y19-Y24 HydrophobicContact CE2-CD2 3.91Å; Y19-Y24 HydrophobicContact CE2-CE2 4.45Å; Y19-Y24 HydrophobicContact CE2-CG 4.29Å; Y19-Y24 HydrophobicContact CG-CD2 4.42Å; Y19-Y24 HydrophobicContact CG-CE2 4.19Å; Y19-R90 VanDerWaalsContact CZ-CD 3.42Å
20	S	90.9	Very high	92.2	Very high	68 Å²	68	45.1 Å²	45.1	48%	0.476	27%	0.266	S	S	.	.			trans	-67.3	105.9	169.4	-62.6	0	0	0	0	110.1	T22 D23 Y24	S20-T22 PolarHBondContact O-N 3.46Å; S20-D23 VanDerWaalsContact CB-CG 3.45Å; S20-D23 WeakPolarHBondContact CB-OD2 3.41Å; S20-D23 WeakPolarHBondContact O-CB 3.43Å; S20-D23 PolarHBondContact O-N 3.25Å; S20-Y24 WeakPolarHBondContact O-CD2 3Å
21	F	91.7	Very high	92.5	Very high	6 Å²	6	48 Å²	48	3%	0.026	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-56.7	-33.3	-176.2	176.6	-126.3	0	0	0	113.5	A16 Y19 D23 M26 P45 V64 A71	A16-F21 HydrophobicContact CB-CB 3.99Å; A16-F21 HydrophobicContact CB-CD2 3.53Å; A16-F21 HydrophobicContact CB-CE2 4.33Å; A16-F21 HydrophobicContact CB-CG 4.04Å; Y19-F21 PolarHBondContact O-N 3.14Å; Y19-F21 VanDerWaalsContact O-N 3.15Å; F21-D23 VanDerWaalsContact C-N 3.25Å; F21-D23 PolarHBondContact O-N 3.18Å; F21-M26 HydrophobicContact CD2-CE 4.49Å; F21-M26 HydrophobicContact CE2-CE 3.88Å; F21-P45 HydrophobicContact CD1-CB 3.88Å; F21-P45 HydrophobicContact CD1-CG 4.36Å; F21-P45 HydrophobicContact CD2-CG 4.24Å; F21-P45 HydrophobicContact CE1-CB 3.61Å; F21-P45 HydrophobicContact CE1-CG 3.97Å; F21-P45 HydrophobicContact CE2-CB 4.36Å; F21-P45 HydrophobicContact CE2-CG 3.82Å; F21-P45 HydrophobicContact CG-CB 4.39Å; F21-P45 HydrophobicContact CZ-CB 3.87Å; F21-P45 HydrophobicContact CZ-CG 3.68Å; F21-V64 HydrophobicContact CE1-CB 4.16Å; F21-V64 HydrophobicContact CE1-CG1 4.24Å; F21-V64 HydrophobicContact CZ-CB 4.34Å; F21-V64 HydrophobicContact CZ-CG1 3.97Å; F21-A71 HydrophobicContact CE2-CB 4.32Å; F21-A71 HydrophobicContact CZ-CB 3.96Å
22	T	92.4	Very high	92.5	Very high	50 Å²	50	44.1 Å²	44.1	31%	0.307	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-70.9	-14.6	178.8	50.6	0	0	0	0	114.4	S20 Y24 Y46 K66	S20-T22 PolarHBondContact O-N 3.46Å; T22-Y24 VanDerWaalsContact C-N 3.27Å; T22-Y24 PolarHBondContact O-N 2.81Å; T22-Y46 WeakPolarHBondContact O-CB 3.24Å; T22-K66 HydrophobicContact CG2-CD 4.45Å
23	D	90.9	Very high	92.2	Very high	86 Å²	86	50.2 Å²	50.2	46%	0.46	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-86	-2.8	-176.3	-62	0.1	0	0	0	112.6	S20 F21 K92	S20-D23 VanDerWaalsContact CB-CG 3.45Å; S20-D23 WeakPolarHBondContact CB-OD2 3.41Å; S20-D23 WeakPolarHBondContact O-CB 3.43Å; S20-D23 PolarHBondContact O-N 3.25Å; F21-D23 VanDerWaalsContact C-N 3.25Å; F21-D23 PolarHBondContact O-N 3.18Å; D23-K92 WeakPolarHBondContact O-CG 3.4Å
24	Y	90.7	Very high	91.7	Very high	31 Å²	31	51.3 Å²	51.3	12%	0.122	31%	0.312	C	S	.	.	S	Bend	trans	-132.9	140.5	-172.6	-64.6	-99.6	0	0	0	111.3	Y19 S20 T22 P45 R90 S91 K92	Y19-Y24 AromaticContact CD2-CD2 3.47Å; Y19-Y24 HydrophobicContact CD2-CD2 3.47Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.47Å; Y19-Y24 AromaticContact CD2-CE2 3.66Å; Y19-Y24 HydrophobicContact CD2-CE2 3.66Å; Y19-Y24 HydrophobicContact CD2-CG 4.27Å; Y19-Y24 AromaticContact CE2-CD2 3.91Å; Y19-Y24 HydrophobicContact CE2-CD2 3.91Å; Y19-Y24 HydrophobicContact CE2-CE2 4.45Å; Y19-Y24 HydrophobicContact CE2-CG 4.29Å; Y19-Y24 HydrophobicContact CG-CD2 4.42Å; Y19-Y24 HydrophobicContact CG-CE2 4.19Å; S20-Y24 WeakPolarHBondContact O-CD2 3Å; T22-Y24 VanDerWaalsContact C-N 3.27Å; T22-Y24 PolarHBondContact O-N 2.81Å; Y24-P45 WeakPolarHBondContact O-CD 3.2Å; Y24-P45 WeakPolarHBondContact O-CG 3.49Å; Y24-R90 HydrophobicContact CD1-CB 4.13Å; Y24-R90 HydrophobicContact CD1-CG 4.02Å; Y24-R90 HydrophobicContact CG-CB 4.33Å; Y24-S91 WeakPolarHBondContact CA-O 3.15Å; Y24-K92 HydrophobicContact CD1-CB 4.26Å; Y24-K92 HydrophobicContact CD1-CG 3.75Å; Y24-K92 HydrophobicContact CE1-CB 4.17Å; Y24-K92 HydrophobicContact CE1-CD 3.76Å; Y24-K92 HydrophobicContact CE1-CG 3.5Å; Y24-K92 VanDerWaalsContact CE1-CG 3.5Å; Y24-K92 HydrophobicContact CE2-CD 4.47Å; Y24-K92 HydrophobicContact CE2-CG 4.36Å; Y24-K92 HydrophobicContact CG-CG 4.29Å; Y24-K92 VanDerWaalsContact CZ-CE 3.44Å; Y24-K92 VanDerWaalsContact OH-CE 3.22Å; Y24-K92 WeakPolarHBondContact OH-CE 3.42Å; Y24-K92 PolarHBondContact OH-NZ 3.38Å
25	N	92.6	Very high	91.2	Very high	5 Å²	5	57 Å²	57	3%	0.027	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	140.7	167.8	-68.4	-94.4	0	0	0	109.2	Y27 Y42 D44 R90 S91 N93	N25-Y27 HydrophobicContact CB-CD2 4.31Å; N25-Y27 HydrophobicContact CB-CE2 3.57Å; N25-Y42 HydrophobicContact CB-CD2 4.05Å; N25-Y42 WeakPolarHBondContact OD1-CD2 3.26Å; N25-Y42 VanDerWaalsContact OD1-CE2 3.26Å; N25-Y42 WeakPolarHBondContact OD1-CE2 3.32Å; N25-D44 WeakPolarHBondContact OD1-CB 2.98Å; N25-R90 VanDerWaalsContact O-CA 3.27Å; N25-R90 WeakPolarHBondContact O-CA 3.21Å; N25-S91 PolarHBondContact N-O 2.78Å; N25-S91 PolarHBondContact O-N 2.82Å; N25-N93 VanDerWaalsContact CG-ND2 3.32Å; N25-N93 PolarHBondContact ND2-ND2 2.63Å; N25-N93 PolarHBondContact ND2-OD1 3.48Å; N25-N93 PolarHBondContact OD1-ND2 2.96Å
26	M	94.8	Very high	90.8	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.01	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	113.2	175.2	-168.7	60.9	65.2	0	0	110.2	C14 F21 Y42 I43 A71 C88 A89 R90	C14-M26 VanDerWaalsContact SG-SD 3.68Å; F21-M26 HydrophobicContact CD2-CE 4.49Å; F21-M26 HydrophobicContact CE2-CE 3.88Å; M26-Y42 CarbonylContact O-C 3.51Å; M26-Y42 WeakPolarHBondContact O-CA 3.48Å; M26-Y42 WeakPolarHBondContact O-CB 3.39Å; M26-I43 HydrophobicContact CB-CG2 4.07Å; M26-I43 PolarHBondContact N-O 3.08Å; M26-I43 PolarHBondContact O-N 3.47Å; M26-A71 HydrophobicContact CB-CB 4.1Å; M26-A71 HydrophobicContact CG-CB 3.64Å; M26-C88 HydrophobicContact CG-CB 4.39Å; M26-C88 HydrophobicContact SD-CB 3.72Å; M26-A89 VanDerWaalsContact SD-O 3.36Å; M26-R90 HydrophobicContact CE-CB 4.46Å
27	Y	95.3	Very high	90.9	Very high	59 Å²	59	57.5 Å²	57.5	23%	0.231	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	143.8	177.2	-63.8	-99.3	0	0	0	110	N25 W39 G41 Y42 C88 A89 S91 N93	N25-Y27 HydrophobicContact CB-CD2 4.31Å; N25-Y27 HydrophobicContact CB-CE2 3.57Å; Y27-W39 AromaticContact CD1-NE1 3.58Å; Y27-G41 WeakPolarHBondContact CA-O 3.27Å; Y27-Y42 HydrophobicContact CD1-CG 4.47Å; Y27-Y42 HydrophobicContact CE1-CD1 4.21Å; Y27-Y42 HydrophobicContact CE1-CG 4.13Å; Y27-C88 CarbonylContact O-C 3.58Å; Y27-C88 WeakPolarHBondContact O-CA 3.46Å; Y27-A89 PolarHBondContact N-O 3.26Å; Y27-A89 PolarHBondContact O-N 2.81Å; Y27-S91 VanDerWaalsContact CE2-CB 3.5Å; Y27-N93 PolarHBondContact OH-OD1 2.73Å
28	W	96.2	Very high	91.1	Very high	1 Å²	1	54.6 Å²	54.6	0%	0.004	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	135	177.5	-69.1	89.7	0	0	0	110.4	V12 C14 I40 G41 L62 A71 M73 Y87 C88	V12-W28 HydrophobicContact CB-CH2 4.23Å; V12-W28 HydrophobicContact CB-CZ3 3.86Å; V12-W28 HydrophobicContact CG1-CH2 4.11Å; V12-W28 HydrophobicContact CG1-CZ3 3.57Å; C14-W28 HydrophobicContact CB-CH2 3.72Å; C14-W28 HydrophobicContact CB-CZ2 4Å; C14-W28 HydrophobicContact CB-CZ3 4.49Å; W28-I40 HydrophobicContact CB-CB 4.1Å; W28-I40 HydrophobicContact CB-CD1 4.3Å; W28-I40 WeakPolarHBondContact O-CB 3Å; W28-I40 PolarHBondContact O-N 3.48Å; W28-G41 PolarHBondContact N-O 3.34Å; W28-L62 HydrophobicContact CB-CD2 4.45Å; W28-L62 HydrophobicContact CD2-CD2 4.47Å; W28-L62 HydrophobicContact CG-CD2 3.9Å; W28-A71 HydrophobicContact CZ2-CB 3.97Å; W28-M73 HydrophobicContact CB-SD 4.02Å; W28-M73 HydrophobicContact CD2-CB 3.81Å; W28-M73 HydrophobicContact CD2-CE 4.48Å; W28-M73 HydrophobicContact CD2-SD 4.17Å; W28-M73 HydrophobicContact CE3-CB 3.88Å; W28-M73 HydrophobicContact CE3-CE 3.84Å; W28-M73 HydrophobicContact CE3-SD 4.12Å; W28-M73 HydrophobicContact CG-CB 4.42Å; W28-M73 HydrophobicContact CG-SD 4.17Å; W28-M73 HydrophobicContact CH2-CB 4.06Å; W28-M73 HydrophobicContact CZ2-CB 4Å; W28-M73 HydrophobicContact CZ3-CB 4.02Å; W28-M73 HydrophobicContact CZ3-CE 4.33Å; W28-Y87 WeakPolarHBondContact CA-O 3.2Å; W28-C88 HydrophobicContact CD2-CB 4.49Å; W28-C88 HydrophobicContact CE3-CB 4.25Å; W28-C88 HydrophobicContact CH2-CB 4.4Å; W28-C88 HydrophobicContact CZ3-CB 4.19Å
29	V	95.3	Very high	91.4	Very high	7 Å²	7	54.4 Å²	54.4	4%	0.042	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	137.7	-174.6	-175.9	0	0	0	0	109.7	L37 E38 Y86 Y87 W100	V29-L37 HydrophobicContact CG1-CB 3.7Å; V29-L37 HydrophobicContact CG1-CD2 3.96Å; V29-L37 HydrophobicContact CG1-CG 4.25Å; V29-E38 WeakPolarHBondContact CA-O 3.49Å; V29-E38 WeakPolarHBondContact CG1-O 3.4Å; V29-Y86 WeakPolarHBondContact O-CA 3.5Å; V29-Y87 PolarHBondContact N-O 2.81Å; V29-Y87 PolarHBondContact O-N 3.45Å; V29-W100 HydrophobicContact CB-CH2 4.47Å; V29-W100 HydrophobicContact CB-CZ3 4.01Å; V29-W100 HydrophobicContact CG1-CZ3 4.32Å; V29-W100 HydrophobicContact CG2-CH2 3.79Å; V29-W100 HydrophobicContact CG2-CZ3 3.64Å
30	K	94	Very high	91.9	Very high	12 Å²	12	51.8 Å²	51.8	5%	0.052	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	135.8	175.2	-177.3	-178.5	177.6	-172.7	0	109.8	S32 E38 I40 F56 G81 D82 A84 Y86	K30-S32 WeakPolarHBondContact CE-OG 3.32Å; K30-E38 PolarHBondContact N-O 2.87Å; K30-E38 PolarHBondContact O-N 3.24Å; K30-I40 HydrophobicContact CB-CD1 3.99Å; K30-I40 HydrophobicContact CB-CG1 4.17Å; K30-F56 HydrophobicContact CB-CZ 4.39Å; K30-F56 HydrophobicContact CD-CE1 3.92Å; K30-F56 HydrophobicContact CD-CZ 3.99Å; K30-G81 PolarHBondContact NZ-O 2.97Å; K30-D82 IonicContact NZ-OD1 2.87Å; K30-A84 HydrophobicContact CD-CB 4.08Å; K30-A84 VanDerWaalsContact CE-CB 3.42Å; K30-A84 HydrophobicContact CG-CB 3.5Å; K30-Y86 HydrophobicContact CB-CD1 4.12Å; K30-Y86 HydrophobicContact CB-CE1 3.91Å; K30-Y86 HydrophobicContact CD-CE1 4.04Å; K30-Y86 HydrophobicContact CG-CD1 4.27Å; K30-Y86 HydrophobicContact CG-CE1 3.77Å
31	Q	92.8	Very high	92.1	Very high	69 Å²	69	48.5 Å²	48.5	32%	0.322	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	103.5	168.1	-167.9	179	26.7	0	0	109.8	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.71Å; Q31-L37 HydrophobicContact CG-CD2 3.88Å; Q31-A84 WeakPolarHBondContact O-CA 3.46Å; Q31-A84 VanDerWaalsContact O-CB 3.27Å; Q31-A84 WeakPolarHBondContact O-CB 3.49Å; Q31-V85 PolarHBondContact N-O 3Å; Q31-V85 PolarHBondContact O-N 3.35Å; Q31-Y87 HydrophobicContact CB-CD2 4.31Å; Q31-Y87 HydrophobicContact CB-CE2 3.65Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.26Å; Q31-Y87 PolarHBondContact OE1-OH 2.8Å
32	S	91.1	Very high	92.3	Very high	13 Å²	13	51.2 Å²	51.2	9%	0.091	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	153.4	173.5	-51.2	0	0	0	0	110.1	K30 G34 K35	K30-S32 WeakPolarHBondContact CE-OG 3.32Å; S32-G34 PolarHBondContact O-N 2.8Å; S32-G34 VanDerWaalsContact O-N 3.16Å; S32-K35 PolarHBondContact O-N 3.03Å
33	H	87.7	Confident	92.5	Very high	147 Å²	147	49.2 Å²	49.2	68%	0.681	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	121.8	-177.6	-66	-167.6	0	0	0	111.4	K35	H33-K35 PolarHBondContact O-N 2.89Å
34	G	83.2	Confident	92.6	Very high	95 Å²	95	46 Å²	46	98%	0.979	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	69	11.9	-179.6	0	0	0	0	0	115.6	S32	S32-G34 PolarHBondContact O-N 2.8Å; S32-G34 VanDerWaalsContact O-N 3.16Å
35	K	84.6	Confident	92.8	Very high	132 Å²	132	44.6 Å²	44.6	57%	0.574	24%	0.238	S	C	*	.	S	Bend	trans	-113.9	162.8	179.2	-60	-166.9	-178.1	178.3	0	112.5	S32 H33	S32-K35 PolarHBondContact O-N 3.03Å; H33-K35 PolarHBondContact O-N 2.89Å
36	S	88.2	Confident	92.9	Very high	90 Å²	90	52 Å²	52	63%	0.629	27%	0.267	S	S	*	.			trans	-63	161.7	171.6	58.2	0	0	0	0	112	E38	S36-E38 PolarHBondContact O-N 3.4Å
37	L	92.3	Very high	92.7	Very high	86 Å²	86	56.9 Å²	56.9	45%	0.45	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	130.1	171.2	-65.3	178.5	0	0	0	110.7	V29 Q31 Y87 W100	V29-L37 HydrophobicContact CG1-CB 3.7Å; V29-L37 HydrophobicContact CG1-CD2 3.96Å; V29-L37 HydrophobicContact CG1-CG 4.25Å; Q31-L37 HydrophobicContact CB-CD2 3.71Å; Q31-L37 HydrophobicContact CG-CD2 3.88Å; L37-Y87 HydrophobicContact CD2-CD2 4.35Å; L37-Y87 HydrophobicContact CD2-CE2 4.35Å; L37-W100 HydrophobicContact CD1-CH2 4.29Å
38	E	93.9	Very high	92.6	Very high	41 Å²	41	56 Å²	56	19%	0.192	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	115.9	174.9	-69.2	-172.3	92.5	0	0	109.6	V29 K30 S36 I40 K55 F56	V29-E38 WeakPolarHBondContact CA-O 3.49Å; V29-E38 WeakPolarHBondContact CG1-O 3.4Å; K30-E38 PolarHBondContact N-O 2.87Å; K30-E38 PolarHBondContact O-N 3.24Å; S36-E38 PolarHBondContact O-N 3.4Å; E38-I40 PolarHBondContact O-N 2.81Å; E38-K55 IonicContact OE1-NZ 3.53Å; E38-K55 PolarHBondContact OE1-NZ 2.87Å; E38-F56 HydrophobicContact CB-CE2 4.38Å; E38-F56 HydrophobicContact CB-CZ 4.38Å
39	W	94.5	Very high	92.5	Very high	87 Å²	87	57.2 Å²	57.2	33%	0.33	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	130.2	174.9	178.8	72.8	0	0	0	111	Y27 G41 Y42 N53	Y27-W39 AromaticContact CD1-NE1 3.58Å; W39-G41 VanDerWaalsContact CE2-CA 3.48Å; W39-G41 PolarHBondContact NE1-O 2.59Å; W39-G41 VanDerWaalsContact NE1-O 3.12Å; W39-Y42 HydrophobicContact CZ2-CD1 4.1Å; W39-N53 HydrophobicContact CE3-CB 3.69Å; W39-N53 HydrophobicContact CZ3-CB 3.82Å; W39-N53 VanDerWaalsContact CZ3-N 3.28Å; W39-N53 WeakPolarHBondContact O-CB 3.35Å; W39-N53 PolarHBondContact O-ND2 2.84Å
40	I	96.1	Very high	92.5	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-49.8	-178.6	-60.7	173.7	0	0	0	110.5	W28 K30 E38 Y52 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.1Å; W28-I40 HydrophobicContact CB-CD1 4.3Å; W28-I40 WeakPolarHBondContact O-CB 3Å; W28-I40 PolarHBondContact O-N 3.48Å; K30-I40 HydrophobicContact CB-CD1 3.99Å; K30-I40 HydrophobicContact CB-CG1 4.17Å; E38-I40 PolarHBondContact O-N 2.81Å; I40-Y52 WeakPolarHBondContact O-CA 3.22Å; I40-N53 PolarHBondContact O-N 2.84Å; I40-F56 HydrophobicContact CB-CD2 4.32Å; I40-F56 HydrophobicContact CB-CG 4.3Å; I40-F56 HydrophobicContact CG1-CD1 4.19Å; I40-F56 HydrophobicContact CG1-CD2 4.21Å; I40-F56 HydrophobicContact CG1-CE1 4.14Å; I40-F56 HydrophobicContact CG1-CE2 4.15Å; I40-F56 HydrophobicContact CG1-CG 4.22Å; I40-F56 HydrophobicContact CG1-CZ 4.12Å; I40-F56 HydrophobicContact CG2-CB 3.81Å; I40-F56 HydrophobicContact CG2-CD1 4.25Å; I40-F56 HydrophobicContact CG2-CD2 4.39Å; I40-F56 HydrophobicContact CG2-CG 3.91Å; I40-A60 HydrophobicContact CG2-CB 3.81Å; I40-M73 HydrophobicContact CD1-CE 3.79Å; I40-M73 HydrophobicContact CD1-SD 3.51Å; I40-M73 VanDerWaalsContact CD1-SD 3.51Å; I40-M73 HydrophobicContact CG2-SD 3.93Å; I40-Y86 HydrophobicContact CD1-CD1 3.73Å; I40-Y86 HydrophobicContact CD1-CE1 3.81Å
41	G	95.9	Very high	92.5	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.9	177.1	-169.6	0	0	0	0	0	112.5	Y27 W28 W39 S51	Y27-G41 WeakPolarHBondContact CA-O 3.27Å; W28-G41 PolarHBondContact N-O 3.34Å; W39-G41 VanDerWaalsContact CE2-CA 3.48Å; W39-G41 PolarHBondContact NE1-O 2.59Å; W39-G41 VanDerWaalsContact NE1-O 3.12Å; G41-S51 CarbonylContact C-O 3.58Å; G41-S51 WeakPolarHBondContact CA-O 3.47Å
42	Y	95.9	Very high	92.6	Very high	63 Å²	63	61.4 Å²	61.4	25%	0.247	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	157.7	165.3	83.2	-93.3	0	0	0	111.1	N25 M26 Y27 W39 D44 T50 S51	N25-Y42 HydrophobicContact CB-CD2 4.05Å; N25-Y42 WeakPolarHBondContact OD1-CD2 3.26Å; N25-Y42 VanDerWaalsContact OD1-CE2 3.26Å; N25-Y42 WeakPolarHBondContact OD1-CE2 3.32Å; M26-Y42 CarbonylContact O-C 3.51Å; M26-Y42 WeakPolarHBondContact O-CA 3.48Å; M26-Y42 WeakPolarHBondContact O-CB 3.39Å; Y27-Y42 HydrophobicContact CD1-CG 4.47Å; Y27-Y42 HydrophobicContact CE1-CD1 4.21Å; Y27-Y42 HydrophobicContact CE1-CG 4.13Å; W39-Y42 HydrophobicContact CZ2-CD1 4.1Å; Y42-D44 HydrophobicContact CE2-CB 4.41Å; Y42-T50 VanDerWaalsContact O-CA 3.3Å; Y42-T50 WeakPolarHBondContact O-CA 2.98Å; Y42-S51 PolarHBondContact N-O 2.74Å; Y42-S51 PolarHBondContact O-N 2.93Å; Y42-S51 VanDerWaalsContact O-N 3.11Å
43	I	95.9	Very high	92.8	Very high	7 Å²	7	62.9 Å²	62.9	4%	0.036	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	132.8	168.4	-175	157.1	0	0	0	109.7	M26 P45 G49 T50 L62 V64	M26-I43 HydrophobicContact CB-CG2 4.07Å; M26-I43 PolarHBondContact N-O 3.08Å; M26-I43 PolarHBondContact O-N 3.47Å; I43-P45 WeakPolarHBondContact O-CD 3.03Å; I43-G49 CarbonylContact C-O 3.57Å; I43-G49 WeakPolarHBondContact CA-O 3.48Å; I43-T50 HydrophobicContact CB-CG2 3.88Å; I43-T50 HydrophobicContact CD1-CG2 3.71Å; I43-T50 HydrophobicContact CG1-CG2 3.66Å; I43-L62 HydrophobicContact CB-CB 4.02Å; I43-L62 HydrophobicContact CB-CD1 4.39Å; I43-L62 HydrophobicContact CD1-CB 4.21Å; I43-L62 WeakPolarHBondContact CD1-O 3.48Å; I43-L62 HydrophobicContact CG2-CB 4.22Å; I43-V64 HydrophobicContact CB-CG1 4.48Å; I43-V64 HydrophobicContact CD1-CG1 3.84Å; I43-V64 HydrophobicContact CD1-CG2 4.3Å; I43-V64 HydrophobicContact CG1-CG1 3.91Å; I43-V64 HydrophobicContact CG2-CG1 3.75Å
44	D	94.8	Very high	93.1	Very high	20 Å²	20	64.3 Å²	64.3	11%	0.107	36%	0.356	C	S	.	.			trans	-86.5	110.5	172	-174.8	-21.2	0	0	0	108.8	N25 Y42 Y46 N47 G48 G49	N25-D44 WeakPolarHBondContact OD1-CB 2.98Å; Y42-D44 HydrophobicContact CE2-CB 4.41Å; D44-Y46 PolarHBondContact O-N 3.42Å; D44-Y46 WeakPolarHBondContact OD1-CA 3.42Å; D44-Y46 WeakPolarHBondContact OD1-CB 3.42Å; D44-Y46 PolarHBondContact OD1-N 2.02Å; D44-N47 WeakPolarHBondContact CB-OD1 3.32Å; D44-N47 PolarHBondContact OD2-ND2 2.78Å; D44-N47 PolarHBondContact OD2-OD1 3.06Å; D44-G48 WeakPolarHBondContact O-CA 3.25Å; D44-G48 PolarHBondContact O-N 3.47Å; D44-G49 PolarHBondContact N-O 3.12Å
45	P	94.8	Very high	93.4	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-16	179.2	-15.3	31.2	0	0	0	113.8	F21 Y24 I43 V64 K66	F21-P45 HydrophobicContact CD1-CB 3.88Å; F21-P45 HydrophobicContact CD1-CG 4.36Å; F21-P45 HydrophobicContact CD2-CG 4.24Å; F21-P45 HydrophobicContact CE1-CB 3.61Å; F21-P45 HydrophobicContact CE1-CG 3.97Å; F21-P45 HydrophobicContact CE2-CB 4.36Å; F21-P45 HydrophobicContact CE2-CG 3.82Å; F21-P45 HydrophobicContact CG-CB 4.39Å; F21-P45 HydrophobicContact CZ-CB 3.87Å; F21-P45 HydrophobicContact CZ-CG 3.68Å; Y24-P45 WeakPolarHBondContact O-CD 3.2Å; Y24-P45 WeakPolarHBondContact O-CG 3.49Å; I43-P45 WeakPolarHBondContact O-CD 3.03Å; P45-V64 HydrophobicContact CB-CG1 4.14Å; P45-V64 HydrophobicContact CG-CG1 4.19Å; P45-K66 WeakPolarHBondContact O-CE 3.33Å; P45-K66 PolarHBondContact O-NZ 3.37Å
46	Y	93	Very high	93.8	Very high	161 Å²	161	60.9 Å²	60.9	63%	0.631	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-59.8	176.9	-179.2	-111.1	0	0	0	111.3	T22 D44 K66	T22-Y46 WeakPolarHBondContact O-CB 3.24Å; D44-Y46 PolarHBondContact O-N 3.42Å; D44-Y46 WeakPolarHBondContact OD1-CA 3.42Å; D44-Y46 WeakPolarHBondContact OD1-CB 3.42Å; D44-Y46 PolarHBondContact OD1-N 2.02Å; Y46-K66 PolarHBondContact O-NZ 3.11Å
47	N	92.3	Very high	94	Very high	105 Å²	105	64.2 Å²	64.2	56%	0.561	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	-7	-173.3	60	40.7	0	0	0	114.3	D44 G49	D44-N47 WeakPolarHBondContact CB-OD1 3.32Å; D44-N47 PolarHBondContact OD2-ND2 2.78Å; D44-N47 PolarHBondContact OD2-OD1 3.06Å; N47-G49 VanDerWaalsContact C-N 3.31Å; N47-G49 WeakPolarHBondContact OD1-CA 3.27Å; N47-G49 PolarHBondContact OD1-N 2.88Å
48	G	91.9	Very high	93.9	Very high	39 Å²	39	63.3 Å²	63.3	40%	0.402	33%	0.329	S	S	.	.			trans	80.3	7.6	-178.5	0	0	0	0	0	114.6	D44 T50	D44-G48 WeakPolarHBondContact O-CA 3.25Å; D44-G48 PolarHBondContact O-N 3.47Å; G48-T50 PolarHBondContact O-N 3.44Å
49	G	94.1	Very high	93.8	Very high	27 Å²	27	63.9 Å²	63.9	28%	0.278	33%	0.331	S	S	.	.			trans	-58.9	134.7	176.6	0	0	0	0	0	111.1	I43 D44 N47	I43-G49 CarbonylContact C-O 3.57Å; I43-G49 WeakPolarHBondContact CA-O 3.48Å; D44-G49 PolarHBondContact N-O 3.12Å; N47-G49 VanDerWaalsContact C-N 3.31Å; N47-G49 WeakPolarHBondContact OD1-CA 3.27Å; N47-G49 PolarHBondContact OD1-N 2.88Å
50	T	94.8	Very high	93.9	Very high	67 Å²	67	59.9 Å²	59.9	41%	0.411	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	146.7	-179.3	53.2	0	0	0	0	111.4	Y42 I43 G48	Y42-T50 VanDerWaalsContact O-CA 3.3Å; Y42-T50 WeakPolarHBondContact O-CA 2.98Å; I43-T50 HydrophobicContact CB-CG2 3.88Å; I43-T50 HydrophobicContact CD1-CG2 3.71Å; I43-T50 HydrophobicContact CG1-CG2 3.66Å; G48-T50 PolarHBondContact O-N 3.44Å
51	S	94.9	Very high	93.9	Very high	50 Å²	50	62.8 Å²	62.8	35%	0.35	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	148.9	167.9	-172.9	0	0	0	0	109.5	G41 Y42	G41-S51 CarbonylContact C-O 3.58Å; G41-S51 WeakPolarHBondContact CA-O 3.47Å; Y42-S51 PolarHBondContact N-O 2.74Å; Y42-S51 PolarHBondContact O-N 2.93Å; Y42-S51 VanDerWaalsContact O-N 3.11Å
52	Y	95.5	Very high	93.9	Very high	59 Å²	59	63.2 Å²	63.2	23%	0.231	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	144.6	-175.5	-65.8	-93.7	0	0	0	110.3	I40 A60 L62	I40-Y52 WeakPolarHBondContact O-CA 3.22Å; Y52-A60 HydrophobicContact CE1-CB 4.48Å; Y52-A60 VanDerWaalsContact CE1-O 3.29Å; Y52-A60 WeakPolarHBondContact CE1-O 3.47Å; Y52-L62 HydrophobicContact CE1-CD1 4.06Å; Y52-L62 HydrophobicContact CE1-CG 3.7Å; Y52-L62 PolarHBondContact OH-N 2.94Å
53	N	94.6	Very high	94	Very high	45 Å²	45	62.5 Å²	62.5	24%	0.241	34%	0.339	C	S	.	.			trans	-67.2	136.1	159.3	-177.9	-28.5	0	0	0	108.9	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.69Å; W39-N53 HydrophobicContact CZ3-CB 3.82Å; W39-N53 VanDerWaalsContact CZ3-N 3.28Å; W39-N53 WeakPolarHBondContact O-CB 3.35Å; W39-N53 PolarHBondContact O-ND2 2.84Å; I40-N53 PolarHBondContact O-N 2.84Å; N53-K55 PolarHBondContact O-N 2.91Å; N53-K55 VanDerWaalsContact O-N 3.11Å; N53-K55 PolarHBondContact OD1-N 2.91Å; N53-K55 VanDerWaalsContact OD1-N 3.08Å; N53-F56 HydrophobicContact CB-CD2 4.02Å; N53-F56 PolarHBondContact O-N 3.05Å; N53-K57 PolarHBondContact O-N 2.88Å; N53-K57 VanDerWaalsContact O-N 3.17Å
54	Q	93.1	Very high	94	Very high	177 Å²	177	64.1 Å²	64.1	83%	0.827	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-52.4	-35.8	-178.9	-70.9	-176.4	-13.3	0	0	113.1	F56 K57	Q54-F56 PolarHBondContact O-N 2.76Å; Q54-K57 PolarHBondContact O-N 2.86Å
55	K	91.1	Very high	94	Very high	144 Å²	144	65.9 Å²	65.9	63%	0.626	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-60.2	-28.8	177.8	-69.5	-178.2	177.4	177.7	0	114	E38 N53	E38-K55 IonicContact OE1-NZ 3.53Å; E38-K55 PolarHBondContact OE1-NZ 2.87Å; N53-K55 PolarHBondContact O-N 2.91Å; N53-K55 VanDerWaalsContact O-N 3.11Å; N53-K55 PolarHBondContact OD1-N 2.91Å; N53-K55 VanDerWaalsContact OD1-N 3.08Å
56	F	92.3	Very high	94	Very high	10 Å²	10	71.1 Å²	71.1	4%	0.044	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-108.6	-4.5	-174.4	-62.4	-83.8	0	0	0	112.8	K30 E38 I40 N53 Q54 G58 K59 A60	K30-F56 HydrophobicContact CB-CZ 4.39Å; K30-F56 HydrophobicContact CD-CE1 3.92Å; K30-F56 HydrophobicContact CD-CZ 3.99Å; E38-F56 HydrophobicContact CB-CE2 4.38Å; E38-F56 HydrophobicContact CB-CZ 4.38Å; I40-F56 HydrophobicContact CB-CD2 4.32Å; I40-F56 HydrophobicContact CB-CG 4.3Å; I40-F56 HydrophobicContact CG1-CD1 4.19Å; I40-F56 HydrophobicContact CG1-CD2 4.21Å; I40-F56 HydrophobicContact CG1-CE1 4.14Å; I40-F56 HydrophobicContact CG1-CE2 4.15Å; I40-F56 HydrophobicContact CG1-CG 4.22Å; I40-F56 HydrophobicContact CG1-CZ 4.12Å; I40-F56 HydrophobicContact CG2-CB 3.81Å; I40-F56 HydrophobicContact CG2-CD1 4.25Å; I40-F56 HydrophobicContact CG2-CD2 4.39Å; I40-F56 HydrophobicContact CG2-CG 3.91Å; N53-F56 HydrophobicContact CB-CD2 4.02Å; N53-F56 PolarHBondContact O-N 3.05Å; Q54-F56 PolarHBondContact O-N 2.76Å; F56-G58 PolarHBondContact O-N 2.87Å; F56-K59 PolarHBondContact O-N 3.12Å; F56-A60 HydrophobicContact CB-CB 4.37Å; F56-A60 PolarHBondContact O-N 3.23Å
57	K	91.8	Very high	94	Very high	161 Å²	161	68.7 Å²	68.7	70%	0.7	39%	0.387	S	S	*	.	B	Isolated β-bridge	trans	-61.3	126.6	176.2	-166.5	173.1	-176.3	178.3	0	109.7	N53 Q54 K59	N53-K57 PolarHBondContact O-N 2.88Å; N53-K57 VanDerWaalsContact O-N 3.17Å; Q54-K57 PolarHBondContact O-N 2.86Å; K57-K59 PolarHBondContact O-N 3.36Å
58	G	90.8	Very high	94.1	Very high	67 Å²	67	65.5 Å²	65.5	69%	0.691	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	-19	-175.2	0	0	0	0	0	114.7	F56	F56-G58 PolarHBondContact O-N 2.87Å
59	K	92.8	Very high	94.3	Very high	53 Å²	53	65.6 Å²	65.6	23%	0.23	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-39.8	174.6	-171	162.6	-168	174.1	0	112.6	F56 K57 L75 N76 D82	F56-K59 PolarHBondContact O-N 3.12Å; K57-K59 PolarHBondContact O-N 3.36Å; K59-L75 WeakPolarHBondContact O-CA 3.4Å; K59-N76 PolarHBondContact O-N 3.17Å; K59-D82 VanDerWaalsContact CE-CG 3.42Å; K59-D82 VanDerWaalsContact CE-OD1 3.24Å; K59-D82 WeakPolarHBondContact CE-OD1 3.4Å; K59-D82 WeakPolarHBondContact CE-OD2 3.48Å; K59-D82 IonicContact NZ-OD1 2.74Å; K59-D82 PolarHBondContact NZ-OD1 2.6Å; K59-D82 IonicContact NZ-OD2 2.59Å; K59-D82 PolarHBondContact NZ-OD2 3.03Å
60	A	94.9	Very high	94.4	Very high	3 Å²	3	64.8 Å²	64.8	3%	0.025	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	138.8	176.2	0	0	0	0	0	110.8	I40 Y52 F56 M73 H74 L75	I40-A60 HydrophobicContact CG2-CB 3.81Å; Y52-A60 HydrophobicContact CE1-CB 4.48Å; Y52-A60 VanDerWaalsContact CE1-O 3.29Å; Y52-A60 WeakPolarHBondContact CE1-O 3.47Å; F56-A60 HydrophobicContact CB-CB 4.37Å; F56-A60 PolarHBondContact O-N 3.23Å; A60-M73 HydrophobicContact CB-CG 4.3Å; A60-M73 HydrophobicContact CB-SD 4.34Å; A60-H74 CarbonylContact C-O 3.52Å; A60-H74 VanDerWaalsContact CA-O 3.3Å; A60-H74 WeakPolarHBondContact CA-O 3.34Å; A60-L75 HydrophobicContact CB-CD2 4.06Å
61	T	96.5	Very high	94.5	Very high	61 Å²	61	61.6 Å²	61.6	37%	0.374	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	118.7	168.9	-56.6	0	0	0	0	108.4	T63 H74	T61-T63 HydrophobicContact CG2-CG2 4.22Å; T61-H74 PolarHBondContact N-O 2.92Å; T61-H74 PolarHBondContact O-N 2.91Å
62	L	96.8	Very high	94.6	Very high	8 Å²	8	60.8 Å²	60.8	4%	0.042	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	132.8	178.1	-52.8	-177.3	0	0	0	110.2	W28 I43 Y52 F72 M73	W28-L62 HydrophobicContact CB-CD2 4.45Å; W28-L62 HydrophobicContact CD2-CD2 4.47Å; W28-L62 HydrophobicContact CG-CD2 3.9Å; I43-L62 HydrophobicContact CB-CB 4.02Å; I43-L62 HydrophobicContact CB-CD1 4.39Å; I43-L62 HydrophobicContact CD1-CB 4.21Å; I43-L62 WeakPolarHBondContact CD1-O 3.48Å; I43-L62 HydrophobicContact CG2-CB 4.22Å; Y52-L62 HydrophobicContact CE1-CD1 4.06Å; Y52-L62 HydrophobicContact CE1-CG 3.7Å; Y52-L62 PolarHBondContact OH-N 2.94Å; L62-F72 WeakPolarHBondContact CA-O 3.45Å; L62-M73 HydrophobicContact CD2-CB 3.74Å; L62-M73 HydrophobicContact CD2-CG 3.63Å; L62-M73 HydrophobicContact CD2-SD 4.06Å
63	T	96.8	Very high	94.6	Very high	49 Å²	49	58 Å²	58	30%	0.301	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	162.6	176.7	62.1	0	0	0	0	110.8	T61 F72	T61-T63 HydrophobicContact CG2-CG2 4.22Å; T63-F72 PolarHBondContact N-O 2.88Å; T63-F72 PolarHBondContact O-N 2.84Å
64	V	96.3	Very high	94.6	Very high	40 Å²	40	58.8 Å²	58.8	24%	0.242	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	141.4	177	-67.9	0	0	0	0	110.2	F21 I43 P45 A71	F21-V64 HydrophobicContact CE1-CB 4.16Å; F21-V64 HydrophobicContact CE1-CG1 4.24Å; F21-V64 HydrophobicContact CZ-CB 4.34Å; F21-V64 HydrophobicContact CZ-CG1 3.97Å; I43-V64 HydrophobicContact CB-CG1 4.48Å; I43-V64 HydrophobicContact CD1-CG1 3.84Å; I43-V64 HydrophobicContact CD1-CG2 4.3Å; I43-V64 HydrophobicContact CG1-CG1 3.91Å; I43-V64 HydrophobicContact CG2-CG1 3.75Å; P45-V64 HydrophobicContact CB-CG1 4.14Å; P45-V64 HydrophobicContact CG-CG1 4.19Å; V64-A71 HydrophobicContact CG1-CB 4.26Å
65	D	95.6	Very high	94.6	Very high	57 Å²	57	50.5 Å²	50.5	31%	0.305	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	107.1	164.5	174.6	8.3	0	0	0	108.2	S67 S68 S69 T70 F72	D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 2.84Å; D65-S67 WeakPolarHBondContact OD1-CB 3.14Å; D65-S67 PolarHBondContact OD1-N 2.84Å; D65-S67 PolarHBondContact OD1-OG 2.8Å; D65-S67 PolarHBondContact OD2-OG 2.81Å; D65-S68 WeakPolarHBondContact CB-OG 3.49Å; D65-S68 PolarHBondContact OD1-N 2.86Å; D65-S68 VanDerWaalsContact OD2-CB 3.31Å; D65-S68 WeakPolarHBondContact OD2-CB 3.49Å; D65-S68 PolarHBondContact OD2-OG 2.89Å; D65-S69 WeakPolarHBondContact O-CA 3.41Å; D65-S69 PolarHBondContact O-N 2.94Å; D65-T70 PolarHBondContact N-O 2.9Å; D65-T70 PolarHBondContact O-N 3.46Å; D65-F72 HydrophobicContact CB-CE2 3.84Å
66	K	93.7	Very high	94.6	Very high	111 Å²	111	46.4 Å²	46.4	48%	0.483	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-30.9	-178	-54.9	-171.6	-167.2	-161.4	0	111.8	T22 P45 Y46 S69	T22-K66 HydrophobicContact CG2-CD 4.45Å; P45-K66 WeakPolarHBondContact O-CE 3.33Å; P45-K66 PolarHBondContact O-NZ 3.37Å; Y46-K66 PolarHBondContact O-NZ 3.11Å; K66-S69 PolarHBondContact O-N 2.87Å
67	S	93.4	Very high	94.5	Very high	109 Å²	109	50 Å²	50	76%	0.762	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-39.7	-177.4	73.1	0	0	0	0	111.7	D65	D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 2.84Å; D65-S67 WeakPolarHBondContact OD1-CB 3.14Å; D65-S67 PolarHBondContact OD1-N 2.84Å; D65-S67 PolarHBondContact OD1-OG 2.8Å; D65-S67 PolarHBondContact OD2-OG 2.81Å
68	S	95.1	Very high	94.3	Very high	38 Å²	38	43.3 Å²	43.3	27%	0.266	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	1.3	176.4	66.9	0	0	0	0	113.5	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3.49Å; D65-S68 PolarHBondContact OD1-N 2.86Å; D65-S68 VanDerWaalsContact OD2-CB 3.31Å; D65-S68 WeakPolarHBondContact OD2-CB 3.49Å; D65-S68 PolarHBondContact OD2-OG 2.89Å; S68-T70 PolarHBondContact O-N 2.83Å; S68-T70 PolarHBondContact O-OG1 2.83Å; S68-T70 WeakPolarHBondContact OG-CB 3.3Å; S68-T70 PolarHBondContact OG-OG1 2.87Å
69	S	95.4	Very high	94.1	Very high	41 Å²	41	43.8 Å²	43.8	29%	0.287	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	42.8	-174.7	-65	0	0	0	0	112.7	A16 D65 K66	A16-S69 WeakPolarHBondContact CB-O 3.49Å; A16-S69 PolarHBondContact N-O 2.98Å; D65-S69 WeakPolarHBondContact O-CA 3.41Å; D65-S69 PolarHBondContact O-N 2.94Å; K66-S69 PolarHBondContact O-N 2.87Å
70	T	96.5	Very high	93.6	Very high	10 Å²	10	46.5 Å²	46.5	6%	0.061	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	129.2	-173.7	-54.8	0	0	0	0	110.9	C14 K15 D65 S68 F72	C14-T70 WeakPolarHBondContact O-CA 3.42Å; K15-T70 HydrophobicContact CB-CG2 4.38Å; D65-T70 PolarHBondContact N-O 2.9Å; D65-T70 PolarHBondContact O-N 3.46Å; S68-T70 PolarHBondContact O-N 2.83Å; S68-T70 PolarHBondContact O-OG1 2.83Å; S68-T70 WeakPolarHBondContact OG-CB 3.3Å; S68-T70 PolarHBondContact OG-OG1 2.87Å; T70-F72 HydrophobicContact CG2-CD1 4.03Å; T70-F72 HydrophobicContact CG2-CD2 4.47Å; T70-F72 HydrophobicContact CG2-CE1 3.43Å; T70-F72 VanDerWaalsContact CG2-CE1 3.43Å; T70-F72 HydrophobicContact CG2-CE2 3.9Å; T70-F72 HydrophobicContact CG2-CZ 3.34Å
71	A	96.6	Very high	93.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	147.4	167.1	0	0	0	0	0	110	S13 C14 F21 M26 W28 V64	S13-A71 CarbonylContact C-O 3.53Å; S13-A71 WeakPolarHBondContact CA-O 3.22Å; C14-A71 HydrophobicContact CB-CB 4.48Å; C14-A71 PolarHBondContact N-O 3.45Å; C14-A71 PolarHBondContact O-N 2.97Å; F21-A71 HydrophobicContact CE2-CB 4.32Å; F21-A71 HydrophobicContact CZ-CB 3.96Å; M26-A71 HydrophobicContact CB-CB 4.1Å; M26-A71 HydrophobicContact CG-CB 3.64Å; W28-A71 HydrophobicContact CZ2-CB 3.97Å; V64-A71 HydrophobicContact CG1-CB 4.26Å
72	F	96.7	Very high	92.6	Very high	33 Å²	33	46.1 Å²	46.1	15%	0.145	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	147.8	176.8	-54.3	-79.6	0	0	0	111.3	K11 V12 S13 L62 T63 D65 T70	K11-F72 HydrophobicContact CD-CD1 4.35Å; K11-F72 VanDerWaalsContact CE-CG 3.41Å; K11-F72 HydrophobicContact CG-CD1 4.49Å; V12-F72 CarbonylContact O-C 3.43Å; V12-F72 VanDerWaalsContact O-CA 3.27Å; V12-F72 WeakPolarHBondContact O-CA 3.45Å; S13-F72 VanDerWaalsContact CB-CD1 3.45Å; L62-F72 WeakPolarHBondContact CA-O 3.45Å; T63-F72 PolarHBondContact N-O 2.88Å; T63-F72 PolarHBondContact O-N 2.84Å; D65-F72 HydrophobicContact CB-CE2 3.84Å; T70-F72 HydrophobicContact CG2-CD1 4.03Å; T70-F72 HydrophobicContact CG2-CD2 4.47Å; T70-F72 HydrophobicContact CG2-CE1 3.43Å; T70-F72 VanDerWaalsContact CG2-CE1 3.43Å; T70-F72 HydrophobicContact CG2-CE2 3.9Å; T70-F72 HydrophobicContact CG2-CZ 3.34Å
73	M	96.5	Very high	92.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	116.5	168.1	177.6	174.5	68.4	0	0	108.8	K11 V12 W28 I40 A60 L62 L75 Y86	K11-M73 WeakPolarHBondContact CA-O 2.91Å; V12-M73 HydrophobicContact CB-CB 4.48Å; V12-M73 HydrophobicContact CB-CE 4.3Å; V12-M73 HydrophobicContact CG2-CE 3.99Å; V12-M73 PolarHBondContact N-O 3.11Å; V12-M73 PolarHBondContact O-N 2.91Å; W28-M73 HydrophobicContact CB-SD 4.02Å; W28-M73 HydrophobicContact CD2-CB 3.81Å; W28-M73 HydrophobicContact CD2-CE 4.48Å; W28-M73 HydrophobicContact CD2-SD 4.17Å; W28-M73 HydrophobicContact CE3-CB 3.88Å; W28-M73 HydrophobicContact CE3-CE 3.84Å; W28-M73 HydrophobicContact CE3-SD 4.12Å; W28-M73 HydrophobicContact CG-CB 4.42Å; W28-M73 HydrophobicContact CG-SD 4.17Å; W28-M73 HydrophobicContact CH2-CB 4.06Å; W28-M73 HydrophobicContact CZ2-CB 4Å; W28-M73 HydrophobicContact CZ3-CB 4.02Å; W28-M73 HydrophobicContact CZ3-CE 4.33Å; I40-M73 HydrophobicContact CD1-CE 3.79Å; I40-M73 HydrophobicContact CD1-SD 3.51Å; I40-M73 VanDerWaalsContact CD1-SD 3.51Å; I40-M73 HydrophobicContact CG2-SD 3.93Å; A60-M73 HydrophobicContact CB-CG 4.3Å; A60-M73 HydrophobicContact CB-SD 4.34Å; L62-M73 HydrophobicContact CD2-CB 3.74Å; L62-M73 HydrophobicContact CD2-CG 3.63Å; L62-M73 HydrophobicContact CD2-SD 4.06Å; M73-L75 HydrophobicContact CE-CD1 4.04Å; M73-L75 HydrophobicContact CE-CD2 4.2Å; M73-L75 HydrophobicContact CE-CG 4.18Å; M73-L75 HydrophobicContact CG-CD2 4.29Å; M73-L75 HydrophobicContact CG-CG 4.32Å; M73-L75 HydrophobicContact SD-CD2 4.16Å; M73-Y86 HydrophobicContact CE-CD1 3.31Å; M73-Y86 HydrophobicContact CE-CE1 3.8Å; M73-Y86 HydrophobicContact CE-CG 3.92Å
74	H	95	Very high	91.9	Very high	62 Å²	62	48.2 Å²	48.2	29%	0.287	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	123.5	172	-63.8	-96	0	0	0	108.7	G10 A60 T61	G10-H74 WeakPolarHBondContact O-CA 3.33Å; A60-H74 CarbonylContact C-O 3.52Å; A60-H74 VanDerWaalsContact CA-O 3.3Å; A60-H74 WeakPolarHBondContact CA-O 3.34Å; T61-H74 PolarHBondContact N-O 2.92Å; T61-H74 PolarHBondContact O-N 2.91Å
75	L	93.1	Very high	91.6	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.021	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	121	175.7	-67.2	167.9	0	0	0	108.6	S9 G10 V12 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.52Å; S9-L75 WeakPolarHBondContact CA-O 3.3Å; S9-L75 WeakPolarHBondContact CB-O 3.42Å; G10-L75 PolarHBondContact N-O 3.31Å; G10-L75 PolarHBondContact O-N 3.01Å; V12-L75 HydrophobicContact CG2-CD1 4.43Å; K59-L75 WeakPolarHBondContact O-CA 3.4Å; A60-L75 HydrophobicContact CB-CD2 4.06Å; M73-L75 HydrophobicContact CE-CD1 4.04Å; M73-L75 HydrophobicContact CE-CD2 4.2Å; M73-L75 HydrophobicContact CE-CG 4.18Å; M73-L75 HydrophobicContact CG-CD2 4.29Å; M73-L75 HydrophobicContact CG-CG 4.32Å; M73-L75 HydrophobicContact SD-CD2 4.16Å; L75-L78 HydrophobicContact CB-CD2 3.69Å; L75-L78 HydrophobicContact CB-CG 4.32Å; L75-L78 HydrophobicContact CD1-CD2 4.01Å; L75-L78 HydrophobicContact CG-CD2 4.46Å; L75-Y86 HydrophobicContact CD1-CD1 4.42Å; L75-Y86 HydrophobicContact CD1-CE1 3.76Å; L75-Y86 HydrophobicContact CD1-CE2 3.91Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.46Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.14Å; L75-Y86 HydrophobicContact CD2-CE1 4.46Å
76	N	90.8	Very high	91.5	Very high	58 Å²	58	46.9 Å²	46.9	31%	0.31	30%	0.295	S	S	.	.			trans	-95.2	145.7	-179.6	-62.8	-37.1	0	0	0	111	S9 K59 L78	S9-N76 PolarHBondContact OG-OD1 2.81Å; K59-N76 PolarHBondContact O-N 3.17Å; N76-L78 PolarHBondContact O-N 2.97Å
77	S	88.6	Confident	91.5	Very high	84 Å²	84	44.2 Å²	44.2	59%	0.587	28%	0.282	S	S	*	.	S	Bend	trans	51.7	56.4	173	-54.4	0	0	0	0	112.6	T79	S77-T79 PolarHBondContact O-N 3.37Å
78	L	87.6	Confident	91.6	Very high	21 Å²	21	39.7 Å²	39.7	11%	0.11	25%	0.25	C	C	.	.			trans	-59.1	132.4	-177.1	-72.8	169.1	0	0	0	111.4	V4 G7 A8 L75 N76 D82	V4-L78 HydrophobicContact CB-CD1 3.9Å; V4-L78 HydrophobicContact CG1-CD1 3.73Å; V4-L78 HydrophobicContact CG2-CD1 4.37Å; G7-L78 PolarHBondContact N-O 3.23Å; A8-L78 VanDerWaalsContact O-CB 3.32Å; A8-L78 WeakPolarHBondContact O-CB 3.29Å; A8-L78 WeakPolarHBondContact O-CG 3.33Å; A8-L78 PolarHBondContact O-N 3.26Å; L75-L78 HydrophobicContact CB-CD2 3.69Å; L75-L78 HydrophobicContact CB-CG 4.32Å; L75-L78 HydrophobicContact CD1-CD2 4.01Å; L75-L78 HydrophobicContact CG-CD2 4.46Å; N76-L78 PolarHBondContact O-N 2.97Å; L78-D82 HydrophobicContact CD2-CB 3.66Å
79	T	87.6	Confident	91.5	Very high	78 Å²	78	38.2 Å²	38.2	48%	0.479	24%	0.24	S	C	.	.			trans	-113.5	170.2	173.4	70.6	0	0	0	0	110.4	S77 G81 D82	S77-T79 PolarHBondContact O-N 3.37Å; T79-G81 PolarHBondContact O-N 2.81Å; T79-G81 VanDerWaalsContact O-N 3.14Å; T79-G81 PolarHBondContact OG1-N 3.29Å; T79-D82 PolarHBondContact N-OD2 2.84Å; T79-D82 WeakPolarHBondContact O-CB 3.26Å; T79-D82 PolarHBondContact O-N 3.05Å; T79-D82 PolarHBondContact OG1-OD2 3.18Å
80	S	82.9	Confident	91.3	Very high	109 Å²	109	38.5 Å²	38.5	76%	0.762	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-55.9	-30.2	174.3	55.2	0	0	0	0	112.5	D82 S83	S80-D82 PolarHBondContact O-N 3.27Å; S80-S83 WeakPolarHBondContact O-CB 3.46Å; S80-S83 PolarHBondContact O-N 3Å
81	G	82.8	Confident	90.8	Very high	44 Å²	44	38.8 Å²	38.8	45%	0.454	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-68.2	-12.1	175.1	0	0	0	0	0	114.4	K30 T79	K30-G81 PolarHBondContact NZ-O 2.97Å; T79-G81 PolarHBondContact O-N 2.81Å; T79-G81 VanDerWaalsContact O-N 3.14Å; T79-G81 PolarHBondContact OG1-N 3.29Å
82	D	86.6	Confident	90	Very high	12 Å²	12	44.3 Å²	44.3	6%	0.064	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-92	-5.1	174.6	-57.5	-48.6	0	0	0	113.6	K30 K59 L78 T79 S80 A84 Y86	K30-D82 IonicContact NZ-OD1 2.87Å; K59-D82 VanDerWaalsContact CE-CG 3.42Å; K59-D82 VanDerWaalsContact CE-OD1 3.24Å; K59-D82 WeakPolarHBondContact CE-OD1 3.4Å; K59-D82 WeakPolarHBondContact CE-OD2 3.48Å; K59-D82 IonicContact NZ-OD1 2.74Å; K59-D82 PolarHBondContact NZ-OD1 2.6Å; K59-D82 IonicContact NZ-OD2 2.59Å; K59-D82 PolarHBondContact NZ-OD2 3.03Å; L78-D82 HydrophobicContact CD2-CB 3.66Å; T79-D82 PolarHBondContact N-OD2 2.84Å; T79-D82 WeakPolarHBondContact O-CB 3.26Å; T79-D82 PolarHBondContact O-N 3.05Å; T79-D82 PolarHBondContact OG1-OD2 3.18Å; S80-D82 PolarHBondContact O-N 3.27Å; D82-A84 PolarHBondContact O-N 3.15Å; D82-Y86 PolarHBondContact O-OH 3.28Å
83	S	87.3	Confident	88.5	Confident	81 Å²	81	46.5 Å²	46.5	57%	0.566	28%	0.275	S	S	*	.			trans	-64.1	106.5	170.7	-167.7	0	0	0	0	109.4	S80	S80-S83 WeakPolarHBondContact O-CB 3.46Å; S80-S83 PolarHBondContact O-N 3Å
84	A	90.8	Very high	86.4	Confident	21 Å²	21	57.6 Å²	57.6	17%	0.174	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	165.9	-171.4	0	0	0	0	0	109.6	K30 Q31 D82 Y86	K30-A84 HydrophobicContact CD-CB 4.08Å; K30-A84 VanDerWaalsContact CE-CB 3.42Å; K30-A84 HydrophobicContact CG-CB 3.5Å; Q31-A84 WeakPolarHBondContact O-CA 3.46Å; Q31-A84 VanDerWaalsContact O-CB 3.27Å; Q31-A84 WeakPolarHBondContact O-CB 3.49Å; D82-A84 PolarHBondContact O-N 3.15Å; A84-Y86 HydrophobicContact CB-CE2 4.12Å
85	V	91.7	Very high	84.2	Confident	48 Å²	48	61.3 Å²	61.3	29%	0.291	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	135.5	165.5	-173.3	0	0	0	0	108.3	Q31 Y87	Q31-V85 PolarHBondContact N-O 3Å; Q31-V85 PolarHBondContact O-N 3.35Å; V85-Y87 HydrophobicContact CB-CE2 3.88Å; V85-Y87 HydrophobicContact CG1-CD1 4.48Å; V85-Y87 HydrophobicContact CG1-CD2 4.31Å; V85-Y87 HydrophobicContact CG1-CE1 3.81Å; V85-Y87 HydrophobicContact CG1-CE2 3.62Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.48Å
86	Y	93.6	Very high	82.2	Confident	20 Å²	20	72.2 Å²	72.2	8%	0.078	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	128.7	178.6	-68.5	-88.3	0	0	0	109.7	V12 V29 K30 I40 M73 L75 D82 A84	V12-Y86 HydrophobicContact CG2-CG 4.39Å; V29-Y86 WeakPolarHBondContact O-CA 3.5Å; K30-Y86 HydrophobicContact CB-CD1 4.12Å; K30-Y86 HydrophobicContact CB-CE1 3.91Å; K30-Y86 HydrophobicContact CD-CE1 4.04Å; K30-Y86 HydrophobicContact CG-CD1 4.27Å; K30-Y86 HydrophobicContact CG-CE1 3.77Å; I40-Y86 HydrophobicContact CD1-CD1 3.73Å; I40-Y86 HydrophobicContact CD1-CE1 3.81Å; M73-Y86 HydrophobicContact CE-CD1 3.31Å; M73-Y86 HydrophobicContact CE-CE1 3.8Å; M73-Y86 HydrophobicContact CE-CG 3.92Å; L75-Y86 HydrophobicContact CD1-CD1 4.42Å; L75-Y86 HydrophobicContact CD1-CE1 3.76Å; L75-Y86 HydrophobicContact CD1-CE2 3.91Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.46Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.14Å; L75-Y86 HydrophobicContact CD2-CE1 4.46Å; D82-Y86 PolarHBondContact O-OH 3.28Å; A84-Y86 HydrophobicContact CB-CE2 4.12Å
87	Y	93.6	Very high	80.5	Confident	56 Å²	56	71.3 Å²	71.3	22%	0.22	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	145.9	-179.7	-58	-84.5	0	0	0	110.1	W28 V29 Q31 L37 V85	W28-Y87 WeakPolarHBondContact CA-O 3.2Å; V29-Y87 PolarHBondContact N-O 2.81Å; V29-Y87 PolarHBondContact O-N 3.45Å; Q31-Y87 HydrophobicContact CB-CD2 4.31Å; Q31-Y87 HydrophobicContact CB-CE2 3.65Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.26Å; Q31-Y87 PolarHBondContact OE1-OH 2.8Å; L37-Y87 HydrophobicContact CD2-CD2 4.35Å; L37-Y87 HydrophobicContact CD2-CE2 4.35Å; V85-Y87 HydrophobicContact CB-CE2 3.88Å; V85-Y87 HydrophobicContact CG1-CD1 4.48Å; V85-Y87 HydrophobicContact CG1-CD2 4.31Å; V85-Y87 HydrophobicContact CG1-CE1 3.81Å; V85-Y87 HydrophobicContact CG1-CE2 3.62Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.48Å
88	C	94.3	Very high	78.8	Confident	13 Å²	13	73.5 Å²	73.5	9%	0.088	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	144	164.2	63.6	0	0	0	0	109.9	C14 M26 Y27 W28 G101	C14-C88 HydrophobicContact CB-CB 3.47Å; C14-C88 VanDerWaalsContact CB-CB 3.47Å; C14-C88 WeakPolarHBondContact CB-SG 3.46Å; C14-C88 WeakPolarHBondContact SG-CB 3.36Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.28Å; M26-C88 HydrophobicContact CG-CB 4.39Å; M26-C88 HydrophobicContact SD-CB 3.72Å; Y27-C88 CarbonylContact O-C 3.58Å; Y27-C88 WeakPolarHBondContact O-CA 3.46Å; W28-C88 HydrophobicContact CD2-CB 4.49Å; W28-C88 HydrophobicContact CE3-CB 4.25Å; W28-C88 HydrophobicContact CH2-CB 4.4Å; W28-C88 HydrophobicContact CZ3-CB 4.19Å; C88-G101 WeakPolarHBondContact O-CA 2.96Å; C88-G101 PolarHBondContact O-N 3Å
89	A	92.9	Very high	77.4	Confident	8 Å²	8	79.5 Å²	79.5	7%	0.066	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	149.2	175.3	0	0	0	0	0	109.5	M26 Y27 Y99 W100	M26-A89 VanDerWaalsContact SD-O 3.36Å; Y27-A89 PolarHBondContact N-O 3.26Å; Y27-A89 PolarHBondContact O-N 2.81Å; A89-Y99 CarbonylContact C-O 3.57Å; A89-Y99 WeakPolarHBondContact CA-O 3.41Å; A89-W100 HydrophobicContact CB-CD2 3.76Å; A89-W100 HydrophobicContact CB-CE3 3.64Å; A89-W100 HydrophobicContact CB-CG 4.21Å; A89-W100 HydrophobicContact CB-CZ3 4.06Å
90	R	90.9	Very high	75.8	Confident	46 Å²	46	82.8 Å²	82.8	17%	0.174	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	141.6	178.2	69.6	-180	177.7	160.9	-3	110.6	Y19 Y24 N25 M26 Y99	Y19-R90 VanDerWaalsContact CZ-CD 3.42Å; Y24-R90 HydrophobicContact CD1-CB 4.13Å; Y24-R90 HydrophobicContact CD1-CG 4.02Å; Y24-R90 HydrophobicContact CG-CB 4.33Å; N25-R90 VanDerWaalsContact O-CA 3.27Å; N25-R90 WeakPolarHBondContact O-CA 3.21Å; M26-R90 HydrophobicContact CE-CB 4.46Å; R90-Y99 VanDerWaalsContact CG-CB 3.45Å; R90-Y99 HydrophobicContact CG-CD2 4.46Å; R90-Y99 HydrophobicContact CG-CG 4.31Å; R90-Y99 PolarHBondContact N-O 2.77Å; R90-Y99 VanDerWaalsContact NE-CG 3.27Å; R90-Y99 VanDerWaalsContact NH2-CD2 3.27Å
91	S	86.2	Confident	74.6	Confident	17 Å²	17	79.2 Å²	79.2	12%	0.119	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	138.3	168	-163.9	0	0	0	0	111.6	Y24 N25 Y27 G97	Y24-S91 WeakPolarHBondContact CA-O 3.15Å; N25-S91 PolarHBondContact N-O 2.78Å; N25-S91 PolarHBondContact O-N 2.82Å; Y27-S91 VanDerWaalsContact CE2-CB 3.5Å; S91-G97 VanDerWaalsContact OG-CA 3.26Å; S91-G97 WeakPolarHBondContact OG-CA 3.31Å
92	K	79.8	Confident	73	Confident	115 Å²	115	86.6 Å²	86.6	50%	0.5	42%	0.421	S	S	.	.			trans	-77.9	115.7	169.2	-104	170.8	174.5	-178.8	0	106.7	D23 Y24 Y94	D23-K92 WeakPolarHBondContact O-CG 3.4Å; Y24-K92 HydrophobicContact CD1-CB 4.26Å; Y24-K92 HydrophobicContact CD1-CG 3.75Å; Y24-K92 HydrophobicContact CE1-CB 4.17Å; Y24-K92 HydrophobicContact CE1-CD 3.76Å; Y24-K92 HydrophobicContact CE1-CG 3.5Å; Y24-K92 VanDerWaalsContact CE1-CG 3.5Å; Y24-K92 HydrophobicContact CE2-CD 4.47Å; Y24-K92 HydrophobicContact CE2-CG 4.36Å; Y24-K92 HydrophobicContact CG-CG 4.29Å; Y24-K92 VanDerWaalsContact CZ-CE 3.44Å; Y24-K92 VanDerWaalsContact OH-CE 3.22Å; Y24-K92 WeakPolarHBondContact OH-CE 3.42Å; Y24-K92 PolarHBondContact OH-NZ 3.38Å; K92-Y94 PolarHBondContact O-N 3.46Å
93	N	65.8	Low	71	Confident	80 Å²	80	87.6 Å²	87.6	43%	0.428	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	104.5	178.5	-88.6	-6.7	0	0	0	109.8	N25 Y27	N25-N93 VanDerWaalsContact CG-ND2 3.32Å; N25-N93 PolarHBondContact ND2-ND2 2.63Å; N25-N93 PolarHBondContact ND2-OD1 3.48Å; N25-N93 PolarHBondContact OD1-ND2 2.96Å; Y27-N93 PolarHBondContact OH-OD1 2.73Å
94	Y	53.2	Low	68.9	Low	232 Å²	232	89.5 Å²	89.5	91%	0.91	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	175.7	-3	134	-89.5	-63.9	0	0	0	111.9	K92	K92-Y94 PolarHBondContact O-N 3.46Å
95	D	48.1	Very low	67.8	Low	141 Å²	141	92.9 Å²	92.9	75%	0.754	46%	0.456	S	S	*	.	S	Bend	trans	-149	154.6	169.5	-115.4	-36.1	0	0	0	110.9
96	Y	51	Low	66.6	Low	233 Å²	233	95.3 Å²	95.3	91%	0.914	47%	0.465	S	S	*	.			trans	-34.9	130	-170.8	-94	-110.5	0	0	0	115.2
97	G	54.3	Low	65.1	Low	38 Å²	38	99.4 Å²	99.4	39%	0.392	49%	0.486	S	S	.	.			trans	-67.6	158.6	-173.1	0	0	0	0	0	114.8	S91	S91-G97 VanDerWaalsContact OG-CA 3.26Å; S91-G97 WeakPolarHBondContact OG-CA 3.31Å
98	D	53.4	Low	63.4	Low	131 Å²	131	102 Å²	102	70%	0.701	50%	0.502	S	S	*	.			trans	-170.5	93.2	158	-101	-23.1	0	0	0	109.8
99	Y	57.8	Low	61.5	Low	146 Å²	146	107.6 Å²	107.6	57%	0.573	53%	0.528	S	S	*	.			trans	-168.7	106	152.1	-82.2	-65.9	0	0	0	109.3	A89 R90	A89-Y99 CarbonylContact C-O 3.57Å; A89-Y99 WeakPolarHBondContact CA-O 3.41Å; R90-Y99 VanDerWaalsContact CG-CB 3.45Å; R90-Y99 HydrophobicContact CG-CD2 4.46Å; R90-Y99 HydrophobicContact CG-CG 4.31Å; R90-Y99 PolarHBondContact N-O 2.77Å; R90-Y99 VanDerWaalsContact NE-CG 3.27Å; R90-Y99 VanDerWaalsContact NH2-CD2 3.27Å
100	W	54.6	Low	59.4	Low	148 Å²	148	114.2 Å²	114.2	56%	0.561	56%	0.558	S	S	*	*	B	Isolated β-bridge	trans	-93.5	129.7	173.7	-66.1	84.4	0	0	0	110.1	V29 L37 A89	V29-W100 HydrophobicContact CB-CH2 4.47Å; V29-W100 HydrophobicContact CB-CZ3 4.01Å; V29-W100 HydrophobicContact CG1-CZ3 4.32Å; V29-W100 HydrophobicContact CG2-CH2 3.79Å; V29-W100 HydrophobicContact CG2-CZ3 3.64Å; L37-W100 HydrophobicContact CD1-CH2 4.29Å; A89-W100 HydrophobicContact CB-CD2 3.76Å; A89-W100 HydrophobicContact CB-CE3 3.64Å; A89-W100 HydrophobicContact CB-CG 4.21Å; A89-W100 HydrophobicContact CB-CZ3 4.06Å
101	G	57.6	Low	57.1	Low	33 Å²	33	119.1 Å²	119.1	34%	0.34	59%	0.586	S	S	.	*			trans	-78.4	156.8	173.5	0	0	0	0	0	112	C88 G103	C88-G101 WeakPolarHBondContact O-CA 2.96Å; C88-G101 PolarHBondContact O-N 3Å; G101-G103 PolarHBondContact O-N 3.49Å
102	Q	50.1	Low	54.9	Low	199 Å²	199	126.9 Å²	126.9	93%	0.93	62%	0.622	S	S	*	*			trans	-69.5	115	172.3	-79.2	-173.9	-27.4	0	0	109.5
103	G	44.6	Very low	52.8	Low	33 Å²	33	127.9 Å²	127.9	34%	0.34	63%	0.632	S	S	.	*			trans	-67.1	158.5	176	0	0	0	0	0	112.8	G101	G101-G103 PolarHBondContact O-N 3.49Å
104	T	43.5	Very low	51.6	Low	121 Å²	121	132.3 Å²	132.3	74%	0.742	65%	0.651	S	S	*	*			trans	-107.6	0	178.4	49.4	0	0	0	0	113.4

Retrieved 104 of 104 residues in 23.4 ms (Link to these results)

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