X5J5L0_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5L0, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 107 aa.

						>X5J5L0_MOUSE|X5J5L0
GGLVKPGGSLKLSCAASGFTFSDYGMHWVRQAPEKGLEWVAYISSGSSTIYYADTVKGRFTISRDNAKNTLFLQMTSLKSEDTAMYYCARHRGALAYWGQGTLVTVS
					

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(Predicted Aligned Error values between residue pairs)

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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	63.8	Low	91.6	Very high	77 Å²	77	71.1 Å²	71.1	79%	0.794	45%	0.451	S	S	*	.				0	172.4	0	0	0	0	0	0	109.2	T102 L103	G1-T102 VanDerWaalsContact CA-OG1 3.22Å; G1-T102 WeakPolarHBondContact CA-OG1 3.47Å; G1-T102 PolarHBondContact N-OG1 3.44Å; G1-L103 CarbonylContact C-O 3.49Å; G1-L103 WeakPolarHBondContact CA-O 3.25Å
2	G	86	Confident	92.1	Very high	20 Å²	20	65.9 Å²	65.9	21%	0.206	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	139	-178.3	0	0	0	0	0	112.2	L103 T105	G2-L103 PolarHBondContact N-O 3.05Å; G2-L103 VanDerWaalsContact N-O 3.11Å; G2-T105 PolarHBondContact O-N 2.99Å
3	L	91.4	Very high	92.5	Very high	126 Å²	126	67.1 Å²	67.1	66%	0.66	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	126.5	165.6	-179.6	64.9	0	0	0	108	T105 S107	L3-T105 WeakPolarHBondContact CA-O 3.31Å; L3-T105 HydrophobicContact CD1-CG2 3.67Å; L3-S107 WeakPolarHBondContact CD1-OG 3.35Å
4	V	94.1	Very high	92.8	Very high	23 Å²	23	63.6 Å²	63.6	14%	0.139	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	147.5	-179.5	-70.9	0	0	0	0	110.3	L10 L78 T105 V106 S107	V4-L10 HydrophobicContact CG1-CB 4.33Å; V4-L78 HydrophobicContact CG2-CD1 3.65Å; V4-T105 PolarHBondContact N-O 3.49Å; V4-V106 HydrophobicContact CG2-CG1 4.49Å; V4-V106 HydrophobicContact CG2-CG2 3.93Å; V4-V106 VanDerWaalsContact O-CA 3.25Å; V4-V106 WeakPolarHBondContact O-CA 3.44Å; V4-S107 PolarHBondContact O-N 3.46Å; V4-S107 VanDerWaalsContact O-N 3.12Å
5	K	94.1	Very high	93	Very high	166 Å²	166	64.9 Å²	64.9	72%	0.722	43%	0.426	S	S	*	.			trans	-73.4	153.3	173.6	-66.6	-177.2	-179.8	-177.1	0	110.5	G7 G8	K5-G7 PolarHBondContact O-N 3.01Å; K5-G8 WeakPolarHBondContact O-CA 3.12Å; K5-G8 PolarHBondContact O-N 3.03Å
6	P	95.4	Very high	93.1	Very high	77 Å²	77	61.9 Å²	61.9	50%	0.5	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	139.3	168.6	-26.3	34.2	0	0	0	112	G8 L78 V106	P6-G8 PolarHBondContact O-N 3.06Å; P6-L78 CarbonylContact C-O 3.43Å; P6-L78 WeakPolarHBondContact CA-O 3.23Å; P6-V106 HydrophobicContact CB-CG1 4.46Å; P6-V106 HydrophobicContact CG-CG1 4.19Å
7	G	94.9	Very high	93	Very high	54 Å²	54	64.5 Å²	64.5	56%	0.557	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	-10.6	-172.4	0	0	0	0	0	114.5	K5 L78	K5-G7 PolarHBondContact O-N 3.01Å; G7-L78 PolarHBondContact N-O 2.84Å
8	G	96	Very high	92.9	Very high	23 Å²	23	65.8 Å²	65.8	24%	0.237	45%	0.454	C	S	.	.			trans	-67.6	175.3	178.1	0	0	0	0	0	114	K5 P6 S77 L78	K5-G8 WeakPolarHBondContact O-CA 3.12Å; K5-G8 PolarHBondContact O-N 3.03Å; P6-G8 PolarHBondContact O-N 3.06Å; G8-S77 PolarHBondContact O-N 2.95Å; G8-L78 PolarHBondContact O-N 3.02Å
9	S	97.1	Very high	92.7	Very high	68 Å²	68	64.8 Å²	64.8	48%	0.476	44%	0.441	S	S	.	.			trans	-128.2	147.4	177.2	-60.9	0	0	0	0	111.2	M75	S9-M75 CarbonylContact C-O 3.53Å; S9-M75 WeakPolarHBondContact CA-O 3.22Å; S9-M75 WeakPolarHBondContact CB-O 3.2Å
10	L	96.8	Very high	92.8	Very high	34 Å²	34	65.7 Å²	65.7	18%	0.178	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	150.8	177.6	-175.5	62.7	0	0	0	109.6	V4 L12 M75 L78 V104	V4-L10 HydrophobicContact CG1-CB 4.33Å; L10-L12 HydrophobicContact CD2-CD2 3.67Å; L10-L12 HydrophobicContact CG-CD2 4.06Å; L10-M75 PolarHBondContact N-O 3.14Å; L10-M75 PolarHBondContact O-N 2.91Å; L10-L78 HydrophobicContact CB-CD1 3.97Å; L10-V104 HydrophobicContact CD2-CB 4.47Å; L10-V104 HydrophobicContact CD2-CG1 3.91Å; L10-V104 HydrophobicContact CD2-CG2 3.78Å
11	K	97.6	Very high	92.8	Very high	114 Å²	114	62.6 Å²	62.6	50%	0.496	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	117.9	170	-170.2	176.5	179.6	176.5	0	109.7	L73	K11-L73 WeakPolarHBondContact CA-O 2.87Å
12	L	97.9	Very high	94.3	Very high	9 Å²	9	61.2 Å²	61.2	5%	0.047	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	148.5	171.5	-55.1	-175.9	0	0	0	110.1	L10 W28 F72 L73 M75 Y86 T102 V104	L10-L12 HydrophobicContact CD2-CD2 3.67Å; L10-L12 HydrophobicContact CG-CD2 4.06Å; L12-W28 HydrophobicContact CB-CH2 3.81Å; L12-W28 HydrophobicContact CB-CZ2 4.02Å; L12-W28 HydrophobicContact CB-CZ3 4.46Å; L12-W28 HydrophobicContact CD1-CH2 4.3Å; L12-W28 HydrophobicContact CD1-CZ3 4.12Å; L12-F72 CarbonylContact O-C 3.48Å; L12-F72 VanDerWaalsContact O-CA 3.22Å; L12-F72 WeakPolarHBondContact O-CA 3.27Å; L12-L73 HydrophobicContact CB-CB 4.26Å; L12-L73 PolarHBondContact N-O 2.91Å; L12-L73 PolarHBondContact O-N 2.95Å; L12-M75 HydrophobicContact CD1-SD 3.67Å; L12-M75 HydrophobicContact CG-SD 3.78Å; L12-Y86 HydrophobicContact CD1-CD1 4.06Å; L12-Y86 HydrophobicContact CD1-CD2 4.31Å; L12-Y86 HydrophobicContact CD1-CG 3.74Å; L12-T102 HydrophobicContact CD1-CG2 3.95Å; L12-T102 HydrophobicContact CD2-CG2 3.82Å; L12-T102 HydrophobicContact CG-CG2 4.4Å; L12-V104 HydrophobicContact CD1-CG2 4.05Å; L12-V104 HydrophobicContact CD2-CG2 3.84Å; L12-V104 HydrophobicContact CG-CG2 4.47Å
13	S	97.4	Very high	94.7	Very high	81 Å²	81	65 Å²	65	57%	0.566	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.3	148	170.8	59.4	0	0	0	0	110.4	L71	S13-L71 CarbonylContact C-O 3.59Å; S13-L71 VanDerWaalsContact CA-O 3.31Å; S13-L71 WeakPolarHBondContact CA-O 3.02Å
14	C	96.6	Very high	94.9	Very high	19 Å²	19	61.8 Å²	61.8	13%	0.128	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	109.6	172.1	163.4	0	0	0	0	108.5	W28 T70 L71 C88	C14-W28 HydrophobicContact CB-CH2 3.97Å; C14-W28 HydrophobicContact CB-CZ2 3.98Å; C14-T70 WeakPolarHBondContact O-CA 3.23Å; C14-L71 HydrophobicContact CB-CB 4.35Å; C14-L71 PolarHBondContact N-O 2.82Å; C14-L71 PolarHBondContact O-N 2.88Å; C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.41Å; C14-C88 WeakPolarHBondContact SG-CB 3.37Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.8Å
15	A	96.3	Very high	94.9	Very high	82 Å²	82	61 Å²	61	68%	0.678	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	127.9	173.1	0	0	0	0	0	109.3
16	A	93.6	Very high	95.1	Very high	18 Å²	18	53.3 Å²	53.3	15%	0.149	36%	0.36	C	S	.	.			trans	-96.5	142.2	177.1	0	0	0	0	0	111	F19 F21 N69	A16-F19 HydrophobicContact CB-CE1 3.79Å; A16-F19 HydrophobicContact CB-CE2 4.47Å; A16-F19 HydrophobicContact CB-CZ 3.59Å; A16-F21 HydrophobicContact CB-CB 4.47Å; A16-F21 HydrophobicContact CB-CD2 3.45Å; A16-F21 VanDerWaalsContact CB-CD2 3.45Å; A16-F21 HydrophobicContact CB-CE2 4.02Å; A16-F21 HydrophobicContact CB-CG 4.28Å; A16-N69 WeakPolarHBondContact CB-O 3.39Å; A16-N69 PolarHBondContact N-O 3.19Å
17	S	92.3	Very high	95.2	Very high	106 Å²	106	50.5 Å²	50.5	74%	0.741	34%	0.339	S	S	*	.			trans	-142.2	159.8	175.2	61.4	0	0	0	0	110.2	F19	S17-F19 WeakPolarHBondContact O-CD1 3.4Å; S17-F19 PolarHBondContact O-N 3.14Å
18	G	90.7	Very high	95.3	Very high	87 Å²	87	48.1 Å²	48.1	90%	0.897	31%	0.314	S	S	*	.	S	Bend	trans	81	8.4	177.6	0	0	0	0	0	115.7
19	F	89.6	Confident	95.4	Very high	48 Å²	48	47.2 Å²	47.2	21%	0.211	30%	0.304	C	S	.	.	S	Bend	trans	-159.4	161.7	172.1	64.4	-80.6	0	0	0	111.7	A16 S17 F21 Y24 M26 R90	A16-F19 HydrophobicContact CB-CE1 3.79Å; A16-F19 HydrophobicContact CB-CE2 4.47Å; A16-F19 HydrophobicContact CB-CZ 3.59Å; S17-F19 WeakPolarHBondContact O-CD1 3.4Å; S17-F19 PolarHBondContact O-N 3.14Å; F19-F21 HydrophobicContact CE2-CB 4.29Å; F19-F21 HydrophobicContact CE2-CD2 4.09Å; F19-F21 HydrophobicContact CZ-CD2 4.15Å; F19-F21 PolarHBondContact O-N 3.1Å; F19-Y24 HydrophobicContact CB-CE2 4.47Å; F19-Y24 AromaticContact CD2-CD2 3.58Å; F19-Y24 HydrophobicContact CD2-CD2 3.58Å; F19-Y24 HydrophobicContact CD2-CE2 4.01Å; F19-Y24 HydrophobicContact CD2-CG 4.39Å; F19-Y24 HydrophobicContact CE2-CD2 4.07Å; F19-M26 HydrophobicContact CE2-SD 4.32Å; F19-M26 HydrophobicContact CZ-CE 4.39Å; F19-M26 HydrophobicContact CZ-SD 4.2Å; F19-R90 VanDerWaalsContact CB-NH1 3.32Å; F19-R90 VanDerWaalsContact CE2-CD 3.49Å; F19-R90 HydrophobicContact CE2-CG 4.05Å; F19-R90 HydrophobicContact CZ-CB 4.42Å; F19-R90 HydrophobicContact CZ-CG 4.2Å
20	T	93.6	Very high	95.4	Very high	81 Å²	81	44.5 Å²	44.5	50%	0.497	28%	0.283	S	S	.	.			trans	-70.9	97.2	171.8	-49.8	0	0	0	0	109.9	S22 D23 Y24	T20-S22 VanDerWaalsContact C-N 3.26Å; T20-S22 WeakPolarHBondContact CG2-OG 3.35Å; T20-S22 PolarHBondContact O-N 2.78Å; T20-D23 VanDerWaalsContact CB-OD2 3.25Å; T20-D23 WeakPolarHBondContact CB-OD2 3.28Å; T20-D23 VanDerWaalsContact CG2-OD2 3.29Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.34Å; T20-D23 PolarHBondContact O-N 2.89Å; T20-D23 VanDerWaalsContact O-N 3.13Å; T20-Y24 WeakPolarHBondContact O-CD2 3.35Å
21	F	94.5	Very high	95.4	Very high	1 Å²	1	46.7 Å²	46.7	0%	0.004	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-57.9	-36.2	-172.5	178.1	-102.8	0	0	0	113.7	A16 F19 D23 Y24 M26 R64 N66 N69 L71	A16-F21 HydrophobicContact CB-CB 4.47Å; A16-F21 HydrophobicContact CB-CD2 3.45Å; A16-F21 VanDerWaalsContact CB-CD2 3.45Å; A16-F21 HydrophobicContact CB-CE2 4.02Å; A16-F21 HydrophobicContact CB-CG 4.28Å; F19-F21 HydrophobicContact CE2-CB 4.29Å; F19-F21 HydrophobicContact CE2-CD2 4.09Å; F19-F21 HydrophobicContact CZ-CD2 4.15Å; F19-F21 PolarHBondContact O-N 3.1Å; F21-D23 PolarHBondContact O-N 3.36Å; F21-Y24 PolarHBondContact O-N 2.83Å; F21-M26 HydrophobicContact CD2-CG 4.3Å; F21-M26 HydrophobicContact CD2-SD 4.16Å; F21-M26 HydrophobicContact CE2-CE 4Å; F21-M26 HydrophobicContact CE2-CG 3.57Å; F21-M26 HydrophobicContact CE2-SD 3.87Å; F21-M26 HydrophobicContact CZ-CG 4Å; F21-R64 VanDerWaalsContact CD1-NH2 3.32Å; F21-R64 HydrophobicContact CE1-CB 4.09Å; F21-R64 VanDerWaalsContact CE1-NH2 3.29Å; F21-R64 HydrophobicContact CZ-CB 4.17Å; F21-R64 PolarHBondContact O-NH2 2.82Å; F21-N66 WeakPolarHBondContact CD1-OD1 3.32Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.46Å; F21-N69 HydrophobicContact CB-CB 3.9Å; F21-N69 VanDerWaalsContact CB-OD1 3.31Å; F21-N69 WeakPolarHBondContact CB-OD1 3.23Å; F21-N69 HydrophobicContact CG-CB 4.22Å; F21-L71 HydrophobicContact CE2-CB 4.4Å; F21-L71 HydrophobicContact CZ-CB 4.18Å
22	S	95.3	Very high	95.2	Very high	48 Å²	48	42 Å²	42	34%	0.336	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-61.8	-22	179.5	52.9	0	0	0	0	114.2	T20 Y24 S45	T20-S22 VanDerWaalsContact C-N 3.26Å; T20-S22 WeakPolarHBondContact CG2-OG 3.35Å; T20-S22 PolarHBondContact O-N 2.78Å; S22-Y24 VanDerWaalsContact C-N 3.32Å; S22-S45 WeakPolarHBondContact O-CB 3.37Å
23	D	94.3	Very high	94.6	Very high	100 Å²	100	47.5 Å²	47.5	54%	0.535	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-84.3	-12.6	-174.2	-60.1	-9.3	0	0	0	112.4	T20 F21	T20-D23 VanDerWaalsContact CB-OD2 3.25Å; T20-D23 WeakPolarHBondContact CB-OD2 3.28Å; T20-D23 VanDerWaalsContact CG2-OD2 3.29Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.34Å; T20-D23 PolarHBondContact O-N 2.89Å; T20-D23 VanDerWaalsContact O-N 3.13Å; F21-D23 PolarHBondContact O-N 3.36Å
24	Y	94.4	Very high	94.2	Very high	59 Å²	59	52.8 Å²	52.8	23%	0.231	33%	0.327	C	S	.	.	S	Bend	trans	-119.4	144.2	-172	-60.9	-87.6	0	0	0	112.3	F19 T20 F21 S22 R64 R90 H91 R92	F19-Y24 HydrophobicContact CB-CE2 4.47Å; F19-Y24 AromaticContact CD2-CD2 3.58Å; F19-Y24 HydrophobicContact CD2-CD2 3.58Å; F19-Y24 HydrophobicContact CD2-CE2 4.01Å; F19-Y24 HydrophobicContact CD2-CG 4.39Å; F19-Y24 HydrophobicContact CE2-CD2 4.07Å; T20-Y24 WeakPolarHBondContact O-CD2 3.35Å; F21-Y24 PolarHBondContact O-N 2.83Å; S22-Y24 VanDerWaalsContact C-N 3.32Å; Y24-R64 PolarHBondContact O-NH1 3.1Å; Y24-R64 PolarHBondContact O-NH2 2.91Å; Y24-R90 HydrophobicContact CD1-CG 4.09Å; Y24-R90 HydrophobicContact CG-CG 3.92Å; Y24-H91 WeakPolarHBondContact CD1-O 3.45Å; Y24-R92 HydrophobicContact CE1-CB 4.43Å; Y24-R92 HydrophobicContact CE1-CG 4.17Å
25	G	95.6	Very high	93.8	Very high	6 Å²	6	57.5 Å²	57.5	6%	0.062	35%	0.345	C	S	.	.			trans	-71.8	155.3	160.7	0	0	0	0	0	110.8	I43 H91	G25-I43 CarbonylContact C-O 3.6Å; G25-I43 VanDerWaalsContact CA-O 3.23Å; G25-I43 WeakPolarHBondContact CA-O 3.4Å; G25-H91 WeakPolarHBondContact O-CB 3.42Å; G25-H91 PolarHBondContact O-N 3.5Å
26	M	96.9	Very high	93.5	Very high	5 Å²	5	56 Å²	56	3%	0.025	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	148.7	-174.5	-62.1	-62.6	-62.2	0	0	111	F19 F21 Y42 I43 L71 R90	F19-M26 HydrophobicContact CE2-SD 4.32Å; F19-M26 HydrophobicContact CZ-CE 4.39Å; F19-M26 HydrophobicContact CZ-SD 4.2Å; F21-M26 HydrophobicContact CD2-CG 4.3Å; F21-M26 HydrophobicContact CD2-SD 4.16Å; F21-M26 HydrophobicContact CE2-CE 4Å; F21-M26 HydrophobicContact CE2-CG 3.57Å; F21-M26 HydrophobicContact CE2-SD 3.87Å; F21-M26 HydrophobicContact CZ-CG 4Å; M26-Y42 WeakPolarHBondContact O-CA 3.47Å; M26-Y42 VanDerWaalsContact O-CD2 3.31Å; M26-Y42 WeakPolarHBondContact O-CD2 3.37Å; M26-I43 HydrophobicContact CB-CG2 4.26Å; M26-I43 PolarHBondContact N-O 3.31Å; M26-I43 PolarHBondContact O-N 2.82Å; M26-L71 HydrophobicContact CB-CD1 3.71Å; M26-L71 HydrophobicContact CB-CD2 3.8Å; M26-L71 HydrophobicContact CB-CG 4.32Å; M26-L71 HydrophobicContact CG-CD1 4.37Å; M26-R90 HydrophobicContact CE-CB 4.42Å; M26-R90 HydrophobicContact SD-CB 4.11Å; M26-R90 HydrophobicContact SD-CG 4.13Å
27	H	97.4	Very high	93.5	Very high	17 Å²	17	59.9 Å²	59.9	8%	0.079	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	151.1	-178.4	-63.8	-85.7	0	0	0	111.3	W39 A41 Y42 C88 A89 H91 L95	H27-W39 AromaticContact CE1-NE1 3.8Å; H27-W39 AromaticContact ND1-CD1 3.83Å; H27-W39 AromaticContact ND1-NE1 3.1Å; H27-W39 PolarHBondContact ND1-NE1 2.93Å; H27-W39 VanDerWaalsContact ND1-NE1 3.1Å; H27-A41 CarbonylContact C-O 3.59Å; H27-A41 VanDerWaalsContact CA-O 3.28Å; H27-A41 WeakPolarHBondContact CA-O 3.31Å; H27-Y42 AromaticContact CD2-CD2 3.96Å; H27-Y42 AromaticContact CE1-CD2 3.11Å; H27-Y42 WeakPolarHBondContact CE1-CD2 3.25Å; H27-Y42 AromaticContact CE1-CE2 3.84Å; H27-Y42 AromaticContact CE1-CG 3.74Å; H27-Y42 AromaticContact CG-CD2 3.98Å; H27-Y42 AromaticContact ND1-CD2 3.45Å; H27-Y42 WeakPolarHBondContact ND1-CD2 3.38Å; H27-Y42 AromaticContact ND1-CG 3.93Å; H27-Y42 AromaticContact NE2-CD2 3.44Å; H27-Y42 WeakPolarHBondContact NE2-CD2 3.41Å; H27-Y42 AromaticContact NE2-CE2 3.78Å; H27-C88 CarbonylContact O-C 3.44Å; H27-C88 VanDerWaalsContact O-CA 3.27Å; H27-C88 WeakPolarHBondContact O-CA 3.01Å; H27-A89 HydrophobicContact CB-CB 4.38Å; H27-A89 PolarHBondContact N-O 2.8Å; H27-A89 PolarHBondContact O-N 3.45Å; H27-H91 AromaticContact CE1-ND1 3.95Å; H27-H91 AromaticContact NE2-CG 3.59Å; H27-H91 AromaticContact NE2-ND1 3.03Å; H27-H91 PolarHBondContact NE2-ND1 2.78Å; H27-L95 HydrophobicContact CB-CD2 3.93Å; H27-L95 WeakPolarHBondContact CD2-CD2 3.22Å
28	W	97.9	Very high	93.7	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.015	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	138.1	154.6	-79.3	100.1	0	0	0	109.3	L12 C14 V40 A41 L71 L73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 3.81Å; L12-W28 HydrophobicContact CB-CZ2 4.02Å; L12-W28 HydrophobicContact CB-CZ3 4.46Å; L12-W28 HydrophobicContact CD1-CH2 4.3Å; L12-W28 HydrophobicContact CD1-CZ3 4.12Å; C14-W28 HydrophobicContact CB-CH2 3.97Å; C14-W28 HydrophobicContact CB-CZ2 3.98Å; W28-V40 HydrophobicContact CB-CB 4.1Å; W28-V40 HydrophobicContact CB-CG1 4.42Å; W28-V40 WeakPolarHBondContact O-CB 3.11Å; W28-V40 PolarHBondContact O-N 2.78Å; W28-A41 PolarHBondContact N-O 3.4Å; W28-A41 PolarHBondContact O-N 3.05Å; W28-L71 HydrophobicContact CD2-CD2 4.46Å; W28-L71 HydrophobicContact CG-CD2 4.37Å; W28-L71 HydrophobicContact CZ2-CD2 4.46Å; W28-L71 VanDerWaalsContact NE1-CD2 3.31Å; W28-L73 HydrophobicContact CB-CD2 4.22Å; W28-L73 HydrophobicContact CD2-CB 4.14Å; W28-L73 HydrophobicContact CD2-CD2 4.18Å; W28-L73 HydrophobicContact CG-CB 4.19Å; W28-L73 HydrophobicContact CG-CD1 4.34Å; W28-L73 HydrophobicContact CG-CD2 3.97Å; W28-L73 HydrophobicContact CG-CG 4.41Å; W28-L73 HydrophobicContact CZ2-CB 4.27Å; W28-Y87 WeakPolarHBondContact CA-O 3.31Å; W28-Y87 VanDerWaalsContact CE3-C 3.48Å; W28-C88 HydrophobicContact CE3-CB 4.44Å; W28-C88 HydrophobicContact CH2-CB 4.34Å; W28-C88 HydrophobicContact CZ2-CB 4.43Å; W28-C88 HydrophobicContact CZ3-CB 4.34Å
29	V	97.3	Very high	94	Very high	4 Å²	4	57.7 Å²	57.7	2%	0.024	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	148.6	176.1	-176.7	0	0	0	0	107.1	L37 E38 Y86 Y87 L95 W98	V29-L37 HydrophobicContact CG1-CB 4.02Å; V29-L37 HydrophobicContact CG1-CD2 3.91Å; V29-E38 CarbonylContact C-O 3.55Å; V29-E38 WeakPolarHBondContact CA-O 3.16Å; V29-E38 VanDerWaalsContact CG1-O 3.23Å; V29-E38 WeakPolarHBondContact CG1-O 3.31Å; V29-Y86 CarbonylContact O-C 3.59Å; V29-Y86 WeakPolarHBondContact O-CA 3.48Å; V29-Y87 PolarHBondContact N-O 2.8Å; V29-Y87 PolarHBondContact O-N 2.7Å; V29-L95 HydrophobicContact CG2-CD1 4.1Å; V29-W98 HydrophobicContact CB-CH2 3.88Å; V29-W98 HydrophobicContact CB-CZ3 3.55Å; V29-W98 HydrophobicContact CG1-CH2 3.74Å; V29-W98 HydrophobicContact CG1-CZ3 3.69Å; V29-W98 HydrophobicContact CG2-CH2 3.72Å; V29-W98 HydrophobicContact CG2-CZ3 3.79Å
30	R	97.1	Very high	94.3	Very high	11 Å²	11	55.5 Å²	55.5	4%	0.042	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	159.1	175.6	73.3	-178.3	-175.6	-176.6	3.6	112.1	E38 V40 D82 A84 M85 Y86	R30-E38 HydrophobicContact CG-CB 4.02Å; R30-E38 IonicContact CZ-OE2 2.91Å; R30-E38 PolarHBondContact N-O 3.22Å; R30-E38 IonicContact NE-OE2 2.82Å; R30-E38 PolarHBondContact NE-OE2 2.86Å; R30-E38 IonicContact NH2-OE2 3.91Å; R30-E38 PolarHBondContact NH2-OE2 3.01Å; R30-E38 VanDerWaalsContact NH2-OE2 3.14Å; R30-E38 PolarHBondContact O-N 3.27Å; R30-V40 HydrophobicContact CB-CG2 3.87Å; R30-V40 HydrophobicContact CG-CG2 3.65Å; R30-D82 IonicContact CZ-OD1 3.06Å; R30-D82 IonicContact NH1-OD1 3.48Å; R30-D82 PolarHBondContact NH1-OD1 2.89Å; R30-A84 HydrophobicContact CB-CB 3.88Å; R30-A84 HydrophobicContact CG-CB 4.2Å; R30-M85 CarbonylContact C-O 3.54Å; R30-M85 WeakPolarHBondContact CA-O 3.33Å; R30-Y86 HydrophobicContact CB-CD1 3.8Å; R30-Y86 HydrophobicContact CB-CD2 4.41Å; R30-Y86 HydrophobicContact CB-CE1 3.75Å; R30-Y86 HydrophobicContact CB-CE2 4.35Å; R30-Y86 HydrophobicContact CB-CG 4.13Å; R30-Y86 WeakPolarHBondContact CD-OH 3.44Å; R30-Y86 HydrophobicContact CG-CE1 4.38Å; R30-Y86 PolarHBondContact NH1-OH 3.17Å
31	Q	96.4	Very high	94.6	Very high	80 Å²	80	51.7 Å²	51.7	37%	0.374	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	111.4	174.1	-170.3	179.7	17.3	0	0	109.2	K35 L37 A84 M85 Y87	Q31-K35 WeakPolarHBondContact CG-O 3.5Å; Q31-L37 HydrophobicContact CB-CD2 4.1Å; Q31-A84 WeakPolarHBondContact O-CA 3.26Å; Q31-A84 WeakPolarHBondContact O-CB 3.17Å; Q31-M85 PolarHBondContact N-O 2.93Å; Q31-M85 PolarHBondContact O-N 2.91Å; Q31-Y87 HydrophobicContact CB-CE2 3.97Å; Q31-Y87 PolarHBondContact OE1-OH 2.86Å
32	A	93.8	Very high	94.7	Very high	15 Å²	15	53.4 Å²	53.4	12%	0.124	28%	0.28	C	S	.	.			trans	-79	155.2	171.9	0	0	0	0	0	110	E34 K35 A84	A32-E34 PolarHBondContact O-N 2.99Å; A32-K35 HydrophobicContact CB-CB 4.1Å; A32-K35 HydrophobicContact CB-CD 4.26Å; A32-K35 HydrophobicContact CB-CG 4.21Å; A32-K35 PolarHBondContact O-N 3.04Å; A32-A84 HydrophobicContact CB-CB 4.4Å
33	P	86.3	Confident	94.8	Very high	125 Å²	125	51.3 Å²	51.3	81%	0.812	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-29.8	-173.9	-28.3	35.5	0	0	0	115.4
34	E	88.1	Confident	95	Very high	193 Å²	193	47 Å²	47	90%	0.902	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.5	10.8	-177.4	-60.1	-177.4	171.4	0	0	113.1	A32	A32-E34 PolarHBondContact O-N 2.99Å
35	K	87.6	Confident	95	Very high	117 Å²	117	46.6 Å²	46.6	51%	0.509	25%	0.248	S	C	.	.	S	Bend	trans	-127.5	157.9	-175.2	-62.2	-170	174.6	-178.5	0	112.4	Q31 A32 E38	Q31-K35 WeakPolarHBondContact CG-O 3.5Å; A32-K35 HydrophobicContact CB-CB 4.1Å; A32-K35 HydrophobicContact CB-CD 4.26Å; A32-K35 HydrophobicContact CB-CG 4.21Å; A32-K35 PolarHBondContact O-N 3.04Å; K35-E38 WeakPolarHBondContact CD-OE1 3.32Å; K35-E38 IonicContact NZ-OE1 3.14Å; K35-E38 PolarHBondContact NZ-OE1 2.69Å
36	G	91.3	Very high	94.9	Very high	51 Å²	51	49 Å²	49	53%	0.526	27%	0.274	S	S	.	.			trans	-68	-175.4	167.5	0	0	0	0	0	112.7	E38	G36-E38 PolarHBondContact O-N 2.88Å
37	L	93.6	Very high	94.9	Very high	100 Å²	100	51.3 Å²	51.3	52%	0.524	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	123	173.2	-70.9	166.4	0	0	0	110.3	V29 Q31 Y87 W98	V29-L37 HydrophobicContact CG1-CB 4.02Å; V29-L37 HydrophobicContact CG1-CD2 3.91Å; Q31-L37 HydrophobicContact CB-CD2 4.1Å; L37-Y87 HydrophobicContact CD2-CD2 4.37Å; L37-Y87 HydrophobicContact CD2-CE2 4.3Å; L37-W98 HydrophobicContact CD1-CH2 3.99Å; L37-W98 HydrophobicContact CD1-CZ2 4.49Å; L37-W98 HydrophobicContact CD1-CZ3 4.45Å; L37-W98 HydrophobicContact CD2-CH2 4.29Å; L37-W98 HydrophobicContact CD2-CZ3 4.05Å
38	E	95.6	Very high	94.8	Very high	50 Å²	50	55.5 Å²	55.5	23%	0.234	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	121.7	175.6	-65.4	-177.2	158.1	0	0	109.4	V29 R30 K35 G36	V29-E38 CarbonylContact C-O 3.55Å; V29-E38 WeakPolarHBondContact CA-O 3.16Å; V29-E38 VanDerWaalsContact CG1-O 3.23Å; V29-E38 WeakPolarHBondContact CG1-O 3.31Å; R30-E38 HydrophobicContact CG-CB 4.02Å; R30-E38 IonicContact CZ-OE2 2.91Å; R30-E38 PolarHBondContact N-O 3.22Å; R30-E38 IonicContact NE-OE2 2.82Å; R30-E38 PolarHBondContact NE-OE2 2.86Å; R30-E38 IonicContact NH2-OE2 3.91Å; R30-E38 PolarHBondContact NH2-OE2 3.01Å; R30-E38 VanDerWaalsContact NH2-OE2 3.14Å; R30-E38 PolarHBondContact O-N 3.27Å; K35-E38 WeakPolarHBondContact CD-OE1 3.32Å; K35-E38 IonicContact NZ-OE1 3.14Å; K35-E38 PolarHBondContact NZ-OE1 2.69Å; G36-E38 PolarHBondContact O-N 2.88Å
39	W	96.5	Very high	94.8	Very high	97 Å²	97	57.6 Å²	57.6	37%	0.367	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	137.8	172.9	178.2	92.4	0	0	0	110.8	H27 A53	H27-W39 AromaticContact CE1-NE1 3.8Å; H27-W39 AromaticContact ND1-CD1 3.83Å; H27-W39 AromaticContact ND1-NE1 3.1Å; H27-W39 PolarHBondContact ND1-NE1 2.93Å; H27-W39 VanDerWaalsContact ND1-NE1 3.1Å; W39-A53 HydrophobicContact CE3-CB 3.89Å; W39-A53 HydrophobicContact CZ3-CB 3.98Å; W39-A53 WeakPolarHBondContact O-CB 3.44Å
40	V	97.7	Very high	94.8	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.012	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	-53.2	-173.5	177.9	0	0	0	0	111.9	W28 R30 A53 V56 F60 L73 Y86	W28-V40 HydrophobicContact CB-CB 4.1Å; W28-V40 HydrophobicContact CB-CG1 4.42Å; W28-V40 WeakPolarHBondContact O-CB 3.11Å; W28-V40 PolarHBondContact O-N 2.78Å; R30-V40 HydrophobicContact CB-CG2 3.87Å; R30-V40 HydrophobicContact CG-CG2 3.65Å; V40-A53 PolarHBondContact O-N 3.1Å; V40-V56 HydrophobicContact CG1-CG1 4.49Å; V40-V56 HydrophobicContact CG1-CG2 4.03Å; V40-F60 HydrophobicContact CG1-CD2 3.81Å; V40-F60 HydrophobicContact CG1-CE2 4.27Å; V40-L73 HydrophobicContact CG1-CD2 4.16Å; V40-Y86 HydrophobicContact CG2-CE1 4.36Å
41	A	98.1	Very high	94.8	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	159.4	-176.3	0	0	0	0	0	112.2	H27 W28 Y51 Y52 I62 L73	H27-A41 CarbonylContact C-O 3.59Å; H27-A41 VanDerWaalsContact CA-O 3.28Å; H27-A41 WeakPolarHBondContact CA-O 3.31Å; W28-A41 PolarHBondContact N-O 3.4Å; W28-A41 PolarHBondContact O-N 3.05Å; A41-Y51 CarbonylContact C-O 3.58Å; A41-Y51 VanDerWaalsContact CA-O 3.23Å; A41-Y51 WeakPolarHBondContact CA-O 3.48Å; A41-Y52 HydrophobicContact CB-CD1 3.76Å; A41-Y52 HydrophobicContact CB-CE1 4.07Å; A41-I62 HydrophobicContact CB-CB 4.01Å; A41-I62 HydrophobicContact CB-CD1 4.01Å; A41-I62 HydrophobicContact CB-CG2 4.12Å; A41-L73 HydrophobicContact CB-CD1 4.46Å
42	Y	97.7	Very high	94.9	Very high	38 Å²	38	65.8 Å²	65.8	15%	0.149	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	145.9	173.5	169.4	-103.2	0	0	0	111.1	M26 H27 T49 I50 Y51 H91	M26-Y42 WeakPolarHBondContact O-CA 3.47Å; M26-Y42 VanDerWaalsContact O-CD2 3.31Å; M26-Y42 WeakPolarHBondContact O-CD2 3.37Å; H27-Y42 AromaticContact CD2-CD2 3.96Å; H27-Y42 AromaticContact CE1-CD2 3.11Å; H27-Y42 WeakPolarHBondContact CE1-CD2 3.25Å; H27-Y42 AromaticContact CE1-CE2 3.84Å; H27-Y42 AromaticContact CE1-CG 3.74Å; H27-Y42 AromaticContact CG-CD2 3.98Å; H27-Y42 AromaticContact ND1-CD2 3.45Å; H27-Y42 WeakPolarHBondContact ND1-CD2 3.38Å; H27-Y42 AromaticContact ND1-CG 3.93Å; H27-Y42 AromaticContact NE2-CD2 3.44Å; H27-Y42 WeakPolarHBondContact NE2-CD2 3.41Å; H27-Y42 AromaticContact NE2-CE2 3.78Å; Y42-T49 HydrophobicContact CE1-CG2 4.39Å; Y42-I50 VanDerWaalsContact O-CA 3.31Å; Y42-I50 WeakPolarHBondContact O-CA 3.45Å; Y42-I50 WeakPolarHBondContact O-CG2 3.28Å; Y42-Y51 AromaticContact CD1-CD2 3.69Å; Y42-Y51 HydrophobicContact CD1-CD2 3.69Å; Y42-Y51 HydrophobicContact CD1-CE2 4.26Å; Y42-Y51 HydrophobicContact CE1-CD2 4.4Å; Y42-Y51 PolarHBondContact N-O 3.5Å; Y42-Y51 PolarHBondContact O-N 3.38Å; Y42-H91 HydrophobicContact CE2-CB 4.21Å
43	I	98.1	Very high	95.1	Very high	3 Å²	3	65.8 Å²	65.8	2%	0.015	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	131.9	169	-172.6	159.8	0	0	0	110	G25 M26 I50 I62 R64 L71	G25-I43 CarbonylContact C-O 3.6Å; G25-I43 VanDerWaalsContact CA-O 3.23Å; G25-I43 WeakPolarHBondContact CA-O 3.4Å; M26-I43 HydrophobicContact CB-CG2 4.26Å; M26-I43 PolarHBondContact N-O 3.31Å; M26-I43 PolarHBondContact O-N 2.82Å; I43-I50 HydrophobicContact CB-CG1 4.47Å; I43-I50 HydrophobicContact CD1-CD1 4.02Å; I43-I50 HydrophobicContact CD1-CG1 4.2Å; I43-I50 HydrophobicContact CG1-CD1 4.37Å; I43-I50 HydrophobicContact CG1-CG1 4Å; I43-I62 HydrophobicContact CB-CD1 4Å; I43-I62 HydrophobicContact CB-CG1 4.22Å; I43-I62 HydrophobicContact CB-CG2 4.07Å; I43-I62 HydrophobicContact CG2-CD1 3.61Å; I43-I62 HydrophobicContact CG2-CG1 3.91Å; I43-R64 HydrophobicContact CD1-CB 4.48Å; I43-R64 HydrophobicContact CD1-CG 3.87Å; I43-R64 HydrophobicContact CG1-CG 4.44Å; I43-L71 HydrophobicContact CG2-CD1 3.62Å
44	S	96.6	Very high	95.6	Very high	10 Å²	10	66.4 Å²	66.4	7%	0.07	36%	0.364	C	S	.	.			trans	-69.5	166.3	175.7	66.4	0	0	0	0	112.5	G46 S47 S48 T49 R64	S44-G46 VanDerWaalsContact C-N 3.3Å; S44-G46 PolarHBondContact O-N 3.04Å; S44-S47 PolarHBondContact O-N 3.35Å; S44-S47 VanDerWaalsContact O-N 3.1Å; S44-S47 PolarHBondContact OG-N 3.38Å; S44-S48 PolarHBondContact OG-N 3.01Å; S44-S48 PolarHBondContact OG-OG 2.85Å; S44-T49 PolarHBondContact N-O 3Å; S44-T49 PolarHBondContact OG-N 2.98Å; S44-T49 VanDerWaalsContact OG-N 3.09Å; S44-R64 PolarHBondContact O-NH1 3.02Å
45	S	95	Very high	95.9	Very high	50 Å²	50	61.6 Å²	61.6	35%	0.35	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-48.3	175.7	38.6	0	0	0	0	113.2	S22 R64 N66	S22-S45 WeakPolarHBondContact O-CB 3.37Å; S45-R64 PolarHBondContact O-NE 2.97Å; S45-N66 PolarHBondContact O-ND2 2.89Å
46	G	93.9	Very high	96.4	Very high	58 Å²	58	56 Å²	56	60%	0.598	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	8.3	179.9	0	0	0	0	0	114.9	S44 S48	S44-G46 VanDerWaalsContact C-N 3.3Å; S44-G46 PolarHBondContact O-N 3.04Å; G46-S48 PolarHBondContact O-N 2.77Å
47	S	95.9	Very high	96.6	Very high	52 Å²	52	60.3 Å²	60.3	36%	0.364	33%	0.328	S	S	.	.	S	Bend	trans	58.7	11.4	-177	-52.7	0	0	0	0	115.5	S44 T49 R64	S44-S47 PolarHBondContact O-N 3.35Å; S44-S47 VanDerWaalsContact O-N 3.1Å; S44-S47 PolarHBondContact OG-N 3.38Å; S47-T49 VanDerWaalsContact C-N 3.32Å; S47-R64 WeakPolarHBondContact OG-CD 3.14Å; S47-R64 WeakPolarHBondContact OG-CG 3.39Å
48	S	96.1	Very high	96.7	Very high	105 Å²	105	59.3 Å²	59.3	73%	0.734	34%	0.342	S	S	*	.			trans	-75.2	-22.7	-179.4	58.2	0	0	0	0	113.2	S44 G46	S44-S48 PolarHBondContact OG-N 3.01Å; S44-S48 PolarHBondContact OG-OG 2.85Å; G46-S48 PolarHBondContact O-N 2.77Å
49	T	97.2	Very high	96.8	Very high	49 Å²	49	58.4 Å²	58.4	30%	0.301	34%	0.336	S	S	.	.			trans	-126.4	124.6	-178.4	-55.2	0	0	0	0	108.7	Y42 S44 S47 Y51	Y42-T49 HydrophobicContact CE1-CG2 4.39Å; S44-T49 PolarHBondContact N-O 3Å; S44-T49 PolarHBondContact OG-N 2.98Å; S44-T49 VanDerWaalsContact OG-N 3.09Å; S47-T49 VanDerWaalsContact C-N 3.32Å; T49-Y51 HydrophobicContact CG2-CD2 4.04Å; T49-Y51 HydrophobicContact CG2-CE1 4.29Å; T49-Y51 HydrophobicContact CG2-CE2 3.27Å; T49-Y51 VanDerWaalsContact CG2-CZ 3.42Å; T49-Y51 WeakPolarHBondContact CG2-OH 3.31Å
50	I	98.2	Very high	96.9	Very high	67 Å²	67	54 Å²	54	34%	0.344	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	132.1	179.7	-58.9	179.2	0	0	0	108.6	Y42 I43 Y52 I62	Y42-I50 VanDerWaalsContact O-CA 3.31Å; Y42-I50 WeakPolarHBondContact O-CA 3.45Å; Y42-I50 WeakPolarHBondContact O-CG2 3.28Å; I43-I50 HydrophobicContact CB-CG1 4.47Å; I43-I50 HydrophobicContact CD1-CD1 4.02Å; I43-I50 HydrophobicContact CD1-CG1 4.2Å; I43-I50 HydrophobicContact CG1-CD1 4.37Å; I43-I50 HydrophobicContact CG1-CG1 4Å; I50-Y52 HydrophobicContact CG2-CD2 4.18Å; I50-Y52 HydrophobicContact CG2-CE1 4.27Å; I50-Y52 HydrophobicContact CG2-CE2 3.4Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.45Å; I50-Y52 WeakPolarHBondContact CG2-OH 3.23Å; I50-I62 HydrophobicContact CG2-CG2 3.51Å
51	Y	98.1	Very high	96.9	Very high	142 Å²	142	57.4 Å²	57.4	56%	0.557	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.6	150.6	174.9	-58	-65.3	0	0	0	110.5	A41 Y42 T49	A41-Y51 CarbonylContact C-O 3.58Å; A41-Y51 VanDerWaalsContact CA-O 3.23Å; A41-Y51 WeakPolarHBondContact CA-O 3.48Å; Y42-Y51 AromaticContact CD1-CD2 3.69Å; Y42-Y51 HydrophobicContact CD1-CD2 3.69Å; Y42-Y51 HydrophobicContact CD1-CE2 4.26Å; Y42-Y51 HydrophobicContact CE1-CD2 4.4Å; Y42-Y51 PolarHBondContact N-O 3.5Å; Y42-Y51 PolarHBondContact O-N 3.38Å; T49-Y51 HydrophobicContact CG2-CD2 4.04Å; T49-Y51 HydrophobicContact CG2-CE1 4.29Å; T49-Y51 HydrophobicContact CG2-CE2 3.27Å; T49-Y51 VanDerWaalsContact CG2-CZ 3.42Å; T49-Y51 WeakPolarHBondContact CG2-OH 3.31Å
52	Y	98.4	Very high	97	Very high	58 Å²	58	57.6 Å²	57.6	23%	0.227	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	146.8	178.6	-62	-78.7	0	0	0	110	A41 I50 F60 T61 I62	A41-Y52 HydrophobicContact CB-CD1 3.76Å; A41-Y52 HydrophobicContact CB-CE1 4.07Å; I50-Y52 HydrophobicContact CG2-CD2 4.18Å; I50-Y52 HydrophobicContact CG2-CE1 4.27Å; I50-Y52 HydrophobicContact CG2-CE2 3.4Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.45Å; I50-Y52 WeakPolarHBondContact CG2-OH 3.23Å; Y52-F60 WeakPolarHBondContact CE1-O 3.5Å; Y52-T61 WeakPolarHBondContact OH-CA 3.16Å; Y52-I62 HydrophobicContact CE1-CB 4.27Å; Y52-I62 HydrophobicContact CE1-CG2 3.82Å; Y52-I62 PolarHBondContact OH-N 3.2Å
53	A	97.6	Very high	97	Very high	14 Å²	14	57.8 Å²	57.8	12%	0.116	35%	0.348	C	S	.	.			trans	-67.5	144.3	168.6	0	0	0	0	0	109.8	W39 V40 T55 V56 K57	W39-A53 HydrophobicContact CE3-CB 3.89Å; W39-A53 HydrophobicContact CZ3-CB 3.98Å; W39-A53 WeakPolarHBondContact O-CB 3.44Å; V40-A53 PolarHBondContact O-N 3.1Å; A53-T55 PolarHBondContact O-N 3.26Å; A53-T55 VanDerWaalsContact O-N 3.14Å; A53-V56 HydrophobicContact CB-CG2 4.16Å; A53-V56 WeakPolarHBondContact O-CG2 3.42Å; A53-V56 PolarHBondContact O-N 3.03Å; A53-K57 PolarHBondContact O-N 2.91Å
54	D	96.8	Very high	97	Very high	139 Å²	139	59 Å²	59	74%	0.743	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-30.1	-177.5	-67.9	-37.1	0	0	0	112.5	V56	D54-V56 PolarHBondContact O-N 2.99Å
55	T	94.5	Very high	97	Very high	91 Å²	91	60.7 Å²	60.7	56%	0.558	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-21.8	177.9	54.5	0	0	0	0	114.3	A53 R59	A53-T55 PolarHBondContact O-N 3.26Å; A53-T55 VanDerWaalsContact O-N 3.14Å; T55-R59 PolarHBondContact O-NH2 2.96Å; T55-R59 VanDerWaalsContact O-NH2 3.1Å
56	V	96.8	Very high	97.1	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.006	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.4	-5.7	-176	-54.8	0	0	0	0	113.3	V40 A53 D54 G58 R59 F60	V40-V56 HydrophobicContact CG1-CG1 4.49Å; V40-V56 HydrophobicContact CG1-CG2 4.03Å; A53-V56 HydrophobicContact CB-CG2 4.16Å; A53-V56 WeakPolarHBondContact O-CG2 3.42Å; A53-V56 PolarHBondContact O-N 3.03Å; D54-V56 PolarHBondContact O-N 2.99Å; V56-G58 PolarHBondContact O-N 2.88Å; V56-R59 PolarHBondContact O-N 3.04Å; V56-F60 HydrophobicContact CB-CB 4.11Å; V56-F60 HydrophobicContact CB-CD1 4.31Å; V56-F60 HydrophobicContact CB-CD2 3.6Å; V56-F60 HydrophobicContact CB-CE2 4Å; V56-F60 HydrophobicContact CB-CG 3.76Å; V56-F60 HydrophobicContact CB-CZ 4.48Å; V56-F60 HydrophobicContact CG1-CD2 3.72Å; V56-F60 HydrophobicContact CG1-CE2 3.59Å; V56-F60 HydrophobicContact CG1-CG 4.31Å; V56-F60 HydrophobicContact CG1-CZ 4.07Å; V56-F60 HydrophobicContact CG2-CB 4.23Å; V56-F60 HydrophobicContact CG2-CD2 4.04Å; V56-F60 HydrophobicContact CG2-CG 4.31Å; V56-F60 PolarHBondContact O-N 3.12Å
57	K	95.7	Very high	97.2	Very high	141 Å²	141	63.1 Å²	63.1	61%	0.613	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	132.3	-179.9	-165.3	173.5	-174.2	176.1	0	110.5	A53 R59	A53-K57 PolarHBondContact O-N 2.91Å; K57-R59 VanDerWaalsContact C-N 3.25Å; K57-R59 PolarHBondContact O-N 2.93Å
58	G	96.6	Very high	97.2	Very high	79 Å²	79	67.4 Å²	67.4	81%	0.814	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	-7.1	-176.5	0	0	0	0	0	115.3	V56	V56-G58 PolarHBondContact O-N 2.88Å
59	R	97.9	Very high	97.3	Very high	31 Å²	31	65.5 Å²	65.5	12%	0.117	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-36	176.9	-60.3	-169.7	-58.1	116.9	0.8	112.6	T55 V56 K57 T76 S77 D82	T55-R59 PolarHBondContact O-NH2 2.96Å; T55-R59 VanDerWaalsContact O-NH2 3.1Å; V56-R59 PolarHBondContact O-N 3.04Å; K57-R59 VanDerWaalsContact C-N 3.25Å; K57-R59 PolarHBondContact O-N 2.93Å; R59-T76 PolarHBondContact O-N 3.49Å; R59-T76 PolarHBondContact O-OG1 3.19Å; R59-S77 PolarHBondContact NH1-O 2.8Å; R59-D82 IonicContact CZ-OD1 3.93Å; R59-D82 IonicContact CZ-OD2 3.41Å; R59-D82 IonicContact NH1-OD1 3.89Å; R59-D82 IonicContact NH1-OD2 2.69Å; R59-D82 PolarHBondContact NH1-OD2 3.09Å; R59-D82 IonicContact NH2-OD1 3.01Å; R59-D82 PolarHBondContact NH2-OD1 3.35Å; R59-D82 IonicContact NH2-OD2 3.22Å; R59-D82 PolarHBondContact NH2-OD2 3.22Å
60	F	98.3	Very high	97.3	Very high	3 Å²	3	64 Å²	64	1%	0.013	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	142.2	-177	-67	11.1	0	0	0	110.3	V40 Y52 V56 L73 Q74 M75 L78 D82 Y86	V40-F60 HydrophobicContact CG1-CD2 3.81Å; V40-F60 HydrophobicContact CG1-CE2 4.27Å; Y52-F60 WeakPolarHBondContact CE1-O 3.5Å; V56-F60 HydrophobicContact CB-CB 4.11Å; V56-F60 HydrophobicContact CB-CD1 4.31Å; V56-F60 HydrophobicContact CB-CD2 3.6Å; V56-F60 HydrophobicContact CB-CE2 4Å; V56-F60 HydrophobicContact CB-CG 3.76Å; V56-F60 HydrophobicContact CB-CZ 4.48Å; V56-F60 HydrophobicContact CG1-CD2 3.72Å; V56-F60 HydrophobicContact CG1-CE2 3.59Å; V56-F60 HydrophobicContact CG1-CG 4.31Å; V56-F60 HydrophobicContact CG1-CZ 4.07Å; V56-F60 HydrophobicContact CG2-CB 4.23Å; V56-F60 HydrophobicContact CG2-CD2 4.04Å; V56-F60 HydrophobicContact CG2-CG 4.31Å; V56-F60 PolarHBondContact O-N 3.12Å; F60-L73 HydrophobicContact CB-CD1 4.23Å; F60-L73 HydrophobicContact CD2-CD2 4.11Å; F60-L73 HydrophobicContact CD2-CG 4.49Å; F60-Q74 CarbonylContact C-O 3.53Å; F60-Q74 VanDerWaalsContact CA-O 3.27Å; F60-Q74 WeakPolarHBondContact CA-O 3.45Å; F60-M75 HydrophobicContact CD1-CB 3.86Å; F60-M75 HydrophobicContact CD1-CG 3.98Å; F60-M75 HydrophobicContact CD2-CG 3.97Å; F60-M75 HydrophobicContact CE1-CB 3.78Å; F60-M75 HydrophobicContact CE1-CE 4.4Å; F60-M75 HydrophobicContact CE1-CG 4.01Å; F60-M75 HydrophobicContact CE2-CE 3.9Å; F60-M75 HydrophobicContact CE2-CG 3.97Å; F60-M75 HydrophobicContact CE2-SD 4.47Å; F60-M75 HydrophobicContact CG-CB 4.38Å; F60-M75 HydrophobicContact CG-CG 4Å; F60-M75 HydrophobicContact CZ-CB 4.2Å; F60-M75 HydrophobicContact CZ-CE 3.7Å; F60-M75 HydrophobicContact CZ-CG 4.02Å; F60-L78 HydrophobicContact CE1-CD2 3.74Å; F60-L78 HydrophobicContact CZ-CD2 3.71Å; F60-D82 HydrophobicContact CZ-CB 4.24Å; F60-Y86 HydrophobicContact CE2-CE1 4.23Å
61	T	98.5	Very high	97.3	Very high	75 Å²	75	60.8 Å²	60.8	46%	0.46	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	115.1	178.2	-54.7	0	0	0	0	109.3	Y52 Q74	Y52-T61 WeakPolarHBondContact OH-CA 3.16Å; T61-Q74 PolarHBondContact N-O 2.87Å; T61-Q74 PolarHBondContact O-N 3.35Å
62	I	98.6	Very high	97.3	Very high	3 Å²	3	55.8 Å²	55.8	2%	0.015	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	139	173.5	-169.3	172.2	0	0	0	109.1	A41 I43 I50 Y52 L71 F72 L73	A41-I62 HydrophobicContact CB-CB 4.01Å; A41-I62 HydrophobicContact CB-CD1 4.01Å; A41-I62 HydrophobicContact CB-CG2 4.12Å; I43-I62 HydrophobicContact CB-CD1 4Å; I43-I62 HydrophobicContact CB-CG1 4.22Å; I43-I62 HydrophobicContact CB-CG2 4.07Å; I43-I62 HydrophobicContact CG2-CD1 3.61Å; I43-I62 HydrophobicContact CG2-CG1 3.91Å; I50-I62 HydrophobicContact CG2-CG2 3.51Å; Y52-I62 HydrophobicContact CE1-CB 4.27Å; Y52-I62 HydrophobicContact CE1-CG2 3.82Å; Y52-I62 PolarHBondContact OH-N 3.2Å; I62-L71 HydrophobicContact CD1-CD1 4.09Å; I62-L71 HydrophobicContact CG1-CD1 4.04Å; I62-F72 WeakPolarHBondContact CA-O 3.43Å; I62-L73 HydrophobicContact CB-CD1 4.19Å
63	S	98.4	Very high	97.3	Very high	43 Å²	43	53 Å²	53	30%	0.301	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	164.9	175.4	52.7	0	0	0	0	110.1	F72	S63-F72 PolarHBondContact N-O 2.88Å; S63-F72 PolarHBondContact O-N 3.11Å
64	R	98	Very high	97.3	Very high	29 Å²	29	55.4 Å²	55.4	11%	0.109	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	150.8	-177.2	63.6	-176.6	-67.9	156.8	2.2	111	F21 Y24 I43 S44 S45 S47 N66 T70 L71	F21-R64 VanDerWaalsContact CD1-NH2 3.32Å; F21-R64 HydrophobicContact CE1-CB 4.09Å; F21-R64 VanDerWaalsContact CE1-NH2 3.29Å; F21-R64 HydrophobicContact CZ-CB 4.17Å; F21-R64 PolarHBondContact O-NH2 2.82Å; Y24-R64 PolarHBondContact O-NH1 3.1Å; Y24-R64 PolarHBondContact O-NH2 2.91Å; I43-R64 HydrophobicContact CD1-CB 4.48Å; I43-R64 HydrophobicContact CD1-CG 3.87Å; I43-R64 HydrophobicContact CG1-CG 4.44Å; S44-R64 PolarHBondContact O-NH1 3.02Å; S45-R64 PolarHBondContact O-NE 2.97Å; S47-R64 WeakPolarHBondContact OG-CD 3.14Å; S47-R64 WeakPolarHBondContact OG-CG 3.39Å; R64-N66 PolarHBondContact NE-OD1 3.24Å; R64-N66 PolarHBondContact NH2-OD1 3.24Å; R64-T70 WeakPolarHBondContact CA-O 3.27Å; R64-L71 HydrophobicContact CB-CD1 4.18Å
65	D	97.5	Very high	97.4	Very high	44 Å²	44	48.8 Å²	48.8	24%	0.235	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	108.3	171	-176.5	-25.3	0	0	0	108	A67 K68 N69 T70 F72	D65-A67 WeakPolarHBondContact OD1-CB 3.45Å; D65-A67 PolarHBondContact OD1-N 3.4Å; D65-K68 HydrophobicContact CB-CB 4.2Å; D65-K68 PolarHBondContact O-N 3.06Å; D65-K68 PolarHBondContact OD1-N 2.96Å; D65-K68 WeakPolarHBondContact OD2-CD 3.35Å; D65-K68 VanDerWaalsContact OD2-CE 3.28Å; D65-K68 WeakPolarHBondContact OD2-CE 3.17Å; D65-K68 WeakPolarHBondContact OD2-CG 3.21Å; D65-K68 IonicContact OD2-NZ 3.46Å; D65-K68 PolarHBondContact OD2-NZ 3.07Å; D65-N69 PolarHBondContact O-N 2.84Å; D65-T70 PolarHBondContact N-O 2.82Å; D65-T70 PolarHBondContact O-N 2.92Å; D65-F72 HydrophobicContact CB-CE2 3.91Å
66	N	96.3	Very high	97.6	Very high	63 Å²	63	46.7 Å²	46.7	34%	0.337	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-29.4	-177.6	-73.4	-16.2	0	0	0	112.5	F21 S45 R64 K68 N69	F21-N66 WeakPolarHBondContact CD1-OD1 3.32Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.46Å; S45-N66 PolarHBondContact O-ND2 2.89Å; R64-N66 PolarHBondContact NE-OD1 3.24Å; R64-N66 PolarHBondContact NH2-OD1 3.24Å; N66-K68 VanDerWaalsContact C-N 3.3Å; N66-N69 PolarHBondContact O-N 3.24Å; N66-N69 PolarHBondContact O-OD1 3.4Å
67	A	95.7	Very high	97.6	Very high	96 Å²	96	49.8 Å²	49.8	79%	0.793	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-33	177.1	0	0	0	0	0	111.2	D65	D65-A67 WeakPolarHBondContact OD1-CB 3.45Å; D65-A67 PolarHBondContact OD1-N 3.4Å
68	K	96.6	Very high	97.6	Very high	142 Å²	142	43.2 Å²	43.2	62%	0.617	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	2.5	177.7	-60.9	-177.8	-167.7	157.1	0	114.2	D65 N66 T70	D65-K68 HydrophobicContact CB-CB 4.2Å; D65-K68 PolarHBondContact O-N 3.06Å; D65-K68 PolarHBondContact OD1-N 2.96Å; D65-K68 WeakPolarHBondContact OD2-CD 3.35Å; D65-K68 VanDerWaalsContact OD2-CE 3.28Å; D65-K68 WeakPolarHBondContact OD2-CE 3.17Å; D65-K68 WeakPolarHBondContact OD2-CG 3.21Å; D65-K68 IonicContact OD2-NZ 3.46Å; D65-K68 PolarHBondContact OD2-NZ 3.07Å; N66-K68 VanDerWaalsContact C-N 3.3Å; K68-T70 PolarHBondContact O-N 2.94Å; K68-T70 VanDerWaalsContact O-N 3.11Å; K68-T70 PolarHBondContact O-OG1 2.89Å
69	N	96.8	Very high	97.6	Very high	65 Å²	65	44 Å²	44	35%	0.348	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.3	39.5	-173.3	-60.7	-41.1	0	0	0	113	A16 F21 D65 N66	A16-N69 WeakPolarHBondContact CB-O 3.39Å; A16-N69 PolarHBondContact N-O 3.19Å; F21-N69 HydrophobicContact CB-CB 3.9Å; F21-N69 VanDerWaalsContact CB-OD1 3.31Å; F21-N69 WeakPolarHBondContact CB-OD1 3.23Å; F21-N69 HydrophobicContact CG-CB 4.22Å; D65-N69 PolarHBondContact O-N 2.84Å; N66-N69 PolarHBondContact O-N 3.24Å; N66-N69 PolarHBondContact O-OD1 3.4Å
70	T	97.8	Very high	97.4	Very high	18 Å²	18	46.1 Å²	46.1	11%	0.11	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	130.5	-170.2	-58.2	0	0	0	0	111.6	C14 R64 D65 K68 F72	C14-T70 WeakPolarHBondContact O-CA 3.23Å; R64-T70 WeakPolarHBondContact CA-O 3.27Å; D65-T70 PolarHBondContact N-O 2.82Å; D65-T70 PolarHBondContact O-N 2.92Å; K68-T70 PolarHBondContact O-N 2.94Å; K68-T70 VanDerWaalsContact O-N 3.11Å; K68-T70 PolarHBondContact O-OG1 2.89Å; T70-F72 HydrophobicContact CG2-CD1 4.13Å; T70-F72 HydrophobicContact CG2-CD2 4.4Å; T70-F72 HydrophobicContact CG2-CE1 3.51Å; T70-F72 HydrophobicContact CG2-CE2 3.8Å; T70-F72 HydrophobicContact CG2-CZ 3.31Å
71	L	98.1	Very high	97.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	141.5	170.8	-171.6	71	0	0	0	110	S13 C14 F21 M26 W28 I43 I62 R64 C88	S13-L71 CarbonylContact C-O 3.59Å; S13-L71 VanDerWaalsContact CA-O 3.31Å; S13-L71 WeakPolarHBondContact CA-O 3.02Å; C14-L71 HydrophobicContact CB-CB 4.35Å; C14-L71 PolarHBondContact N-O 2.82Å; C14-L71 PolarHBondContact O-N 2.88Å; F21-L71 HydrophobicContact CE2-CB 4.4Å; F21-L71 HydrophobicContact CZ-CB 4.18Å; M26-L71 HydrophobicContact CB-CD1 3.71Å; M26-L71 HydrophobicContact CB-CD2 3.8Å; M26-L71 HydrophobicContact CB-CG 4.32Å; M26-L71 HydrophobicContact CG-CD1 4.37Å; W28-L71 HydrophobicContact CD2-CD2 4.46Å; W28-L71 HydrophobicContact CG-CD2 4.37Å; W28-L71 HydrophobicContact CZ2-CD2 4.46Å; W28-L71 VanDerWaalsContact NE1-CD2 3.31Å; I43-L71 HydrophobicContact CG2-CD1 3.62Å; I62-L71 HydrophobicContact CD1-CD1 4.09Å; I62-L71 HydrophobicContact CG1-CD1 4.04Å; R64-L71 HydrophobicContact CB-CD1 4.18Å; L71-C88 HydrophobicContact CD2-CB 3.96Å
72	F	98.3	Very high	97.1	Very high	37 Å²	37	48.9 Å²	48.9	16%	0.162	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	149.6	177.9	-56.8	-79.4	0	0	0	111.8	L12 I62 S63 D65 T70	L12-F72 CarbonylContact O-C 3.48Å; L12-F72 VanDerWaalsContact O-CA 3.22Å; L12-F72 WeakPolarHBondContact O-CA 3.27Å; I62-F72 WeakPolarHBondContact CA-O 3.43Å; S63-F72 PolarHBondContact N-O 2.88Å; S63-F72 PolarHBondContact O-N 3.11Å; D65-F72 HydrophobicContact CB-CE2 3.91Å; T70-F72 HydrophobicContact CG2-CD1 4.13Å; T70-F72 HydrophobicContact CG2-CD2 4.4Å; T70-F72 HydrophobicContact CG2-CE1 3.51Å; T70-F72 HydrophobicContact CG2-CE2 3.8Å; T70-F72 HydrophobicContact CG2-CZ 3.31Å
73	L	98.6	Very high	97.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	107.4	167	-168.8	65.8	0	0	0	108.4	K11 L12 W28 V40 A41 F60 I62 M75 Y86	K11-L73 WeakPolarHBondContact CA-O 2.87Å; L12-L73 HydrophobicContact CB-CB 4.26Å; L12-L73 PolarHBondContact N-O 2.91Å; L12-L73 PolarHBondContact O-N 2.95Å; W28-L73 HydrophobicContact CB-CD2 4.22Å; W28-L73 HydrophobicContact CD2-CB 4.14Å; W28-L73 HydrophobicContact CD2-CD2 4.18Å; W28-L73 HydrophobicContact CG-CB 4.19Å; W28-L73 HydrophobicContact CG-CD1 4.34Å; W28-L73 HydrophobicContact CG-CD2 3.97Å; W28-L73 HydrophobicContact CG-CG 4.41Å; W28-L73 HydrophobicContact CZ2-CB 4.27Å; V40-L73 HydrophobicContact CG1-CD2 4.16Å; A41-L73 HydrophobicContact CB-CD1 4.46Å; F60-L73 HydrophobicContact CB-CD1 4.23Å; F60-L73 HydrophobicContact CD2-CD2 4.11Å; F60-L73 HydrophobicContact CD2-CG 4.49Å; I62-L73 HydrophobicContact CB-CD1 4.19Å; L73-M75 HydrophobicContact CD2-CG 3.92Å; L73-M75 HydrophobicContact CD2-SD 3.92Å; L73-M75 HydrophobicContact CG-CG 3.85Å; L73-M75 HydrophobicContact CG-SD 4.36Å; L73-Y86 HydrophobicContact CD2-CD1 4.2Å; L73-Y86 HydrophobicContact CD2-CE1 4.36Å
74	Q	98.4	Very high	97	Very high	64 Å²	64	48.3 Å²	48.3	30%	0.299	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	124.8	167.5	-175.3	65.4	42.4	0	0	107.8	F60 T61 T76	F60-Q74 CarbonylContact C-O 3.53Å; F60-Q74 VanDerWaalsContact CA-O 3.27Å; F60-Q74 WeakPolarHBondContact CA-O 3.45Å; T61-Q74 PolarHBondContact N-O 2.87Å; T61-Q74 PolarHBondContact O-N 3.35Å; Q74-T76 HydrophobicContact CG-CG2 4.28Å
75	M	98	Very high	97	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	119	-178.8	-61.7	162.8	63.1	0	0	107.6	S9 L10 L12 F60 L73 L78 Y86 V104	S9-M75 CarbonylContact C-O 3.53Å; S9-M75 WeakPolarHBondContact CA-O 3.22Å; S9-M75 WeakPolarHBondContact CB-O 3.2Å; L10-M75 PolarHBondContact N-O 3.14Å; L10-M75 PolarHBondContact O-N 2.91Å; L12-M75 HydrophobicContact CD1-SD 3.67Å; L12-M75 HydrophobicContact CG-SD 3.78Å; F60-M75 HydrophobicContact CD1-CB 3.86Å; F60-M75 HydrophobicContact CD1-CG 3.98Å; F60-M75 HydrophobicContact CD2-CG 3.97Å; F60-M75 HydrophobicContact CE1-CB 3.78Å; F60-M75 HydrophobicContact CE1-CE 4.4Å; F60-M75 HydrophobicContact CE1-CG 4.01Å; F60-M75 HydrophobicContact CE2-CE 3.9Å; F60-M75 HydrophobicContact CE2-CG 3.97Å; F60-M75 HydrophobicContact CE2-SD 4.47Å; F60-M75 HydrophobicContact CG-CB 4.38Å; F60-M75 HydrophobicContact CG-CG 4Å; F60-M75 HydrophobicContact CZ-CB 4.2Å; F60-M75 HydrophobicContact CZ-CE 3.7Å; F60-M75 HydrophobicContact CZ-CG 4.02Å; L73-M75 HydrophobicContact CD2-CG 3.92Å; L73-M75 HydrophobicContact CD2-SD 3.92Å; L73-M75 HydrophobicContact CG-CG 3.85Å; L73-M75 HydrophobicContact CG-SD 4.36Å; M75-L78 HydrophobicContact CB-CD1 4.13Å; M75-L78 HydrophobicContact CB-CD2 4.02Å; M75-L78 HydrophobicContact CB-CG 4.19Å; M75-L78 HydrophobicContact CE-CD1 4.3Å; M75-L78 HydrophobicContact CE-CD2 3.45Å; M75-L78 VanDerWaalsContact CE-CD2 3.45Å; M75-L78 HydrophobicContact CE-CG 4.49Å; M75-Y86 HydrophobicContact CE-CE1 3.91Å; M75-Y86 HydrophobicContact CE-CE2 4.04Å; M75-Y86 HydrophobicContact SD-CE1 4.41Å; M75-V104 HydrophobicContact CE-CG1 4.19Å
76	T	97.8	Very high	97	Very high	46 Å²	46	47.7 Å²	47.7	28%	0.282	26%	0.263	S	S	.	.			trans	-117.9	162	176.1	67.5	0	0	0	0	110.8	R59 Q74 L78	R59-T76 PolarHBondContact O-N 3.49Å; R59-T76 PolarHBondContact O-OG1 3.19Å; Q74-T76 HydrophobicContact CG-CG2 4.28Å; T76-L78 VanDerWaalsContact C-N 3.28Å; T76-L78 PolarHBondContact O-N 3.1Å
77	S	96.8	Very high	97.1	Very high	67 Å²	67	46.8 Å²	46.8	47%	0.469	26%	0.255	S	S	.	.	S	Bend	trans	48.7	51.4	178.8	-57.6	0	0	0	0	111.9	G8 R59	G8-S77 PolarHBondContact O-N 2.95Å; R59-S77 PolarHBondContact NH1-O 2.8Å
78	L	97.1	Very high	97.1	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	22%	0.22	C	C	.	.			trans	-65.8	140.3	-175.6	-81.3	167.2	0	0	0	112.1	V4 P6 G7 G8 L10 F60 M75 T76 D82 V106	V4-L78 HydrophobicContact CG2-CD1 3.65Å; P6-L78 CarbonylContact C-O 3.43Å; P6-L78 WeakPolarHBondContact CA-O 3.23Å; G7-L78 PolarHBondContact N-O 2.84Å; G8-L78 PolarHBondContact O-N 3.02Å; L10-L78 HydrophobicContact CB-CD1 3.97Å; F60-L78 HydrophobicContact CE1-CD2 3.74Å; F60-L78 HydrophobicContact CZ-CD2 3.71Å; M75-L78 HydrophobicContact CB-CD1 4.13Å; M75-L78 HydrophobicContact CB-CD2 4.02Å; M75-L78 HydrophobicContact CB-CG 4.19Å; M75-L78 HydrophobicContact CE-CD1 4.3Å; M75-L78 HydrophobicContact CE-CD2 3.45Å; M75-L78 VanDerWaalsContact CE-CD2 3.45Å; M75-L78 HydrophobicContact CE-CG 4.49Å; T76-L78 VanDerWaalsContact C-N 3.28Å; T76-L78 PolarHBondContact O-N 3.1Å; L78-D82 HydrophobicContact CD2-CB 3.59Å; L78-V106 HydrophobicContact CB-CG1 4.25Å; L78-V106 HydrophobicContact CB-CG2 4.13Å; L78-V106 HydrophobicContact CD2-CG2 4.46Å
79	K	96	Very high	97	Very high	95 Å²	95	36 Å²	36	41%	0.413	19%	0.191	S	C	.	.			trans	-111.2	159.3	178.2	-58.6	179.5	-178.9	-176.9	0	109.9	E81 D82 V106	K79-E81 HydrophobicContact CB-CB 4.42Å; K79-E81 PolarHBondContact O-N 2.88Å; K79-D82 PolarHBondContact N-OD2 3Å; K79-D82 WeakPolarHBondContact O-CB 3.38Å; K79-D82 PolarHBondContact O-N 2.99Å; K79-V106 WeakPolarHBondContact O-CB 3.49Å; K79-V106 WeakPolarHBondContact O-CG1 3.28Å; K79-V106 WeakPolarHBondContact O-CG2 3.14Å
80	S	94.6	Very high	96.9	Very high	77 Å²	77	33.8 Å²	33.8	54%	0.538	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-52.1	-38.6	173.2	48.9	0	0	0	0	112.1	D82 T83	S80-D82 PolarHBondContact O-N 2.79Å; S80-T83 VanDerWaalsContact O-CB 3.23Å; S80-T83 WeakPolarHBondContact O-CB 3.4Å; S80-T83 PolarHBondContact O-N 3.48Å; S80-T83 PolarHBondContact O-OG1 2.02Å
81	E	94.3	Very high	96.3	Very high	134 Å²	134	36.4 Å²	36.4	63%	0.626	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-59.4	-19.7	175	-62.9	154.3	-163.9	0	0	114.5	K79 T83	K79-E81 HydrophobicContact CB-CB 4.42Å; K79-E81 PolarHBondContact O-N 2.88Å; E81-T83 VanDerWaalsContact C-N 3.25Å
82	D	96.2	Very high	95.4	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-84.3	-1	177.4	-60.4	-50.5	0	0	0	112.6	R30 R59 F60 L78 K79 S80 A84 Y86 V106	R30-D82 IonicContact CZ-OD1 3.06Å; R30-D82 IonicContact NH1-OD1 3.48Å; R30-D82 PolarHBondContact NH1-OD1 2.89Å; R59-D82 IonicContact CZ-OD1 3.93Å; R59-D82 IonicContact CZ-OD2 3.41Å; R59-D82 IonicContact NH1-OD1 3.89Å; R59-D82 IonicContact NH1-OD2 2.69Å; R59-D82 PolarHBondContact NH1-OD2 3.09Å; R59-D82 IonicContact NH2-OD1 3.01Å; R59-D82 PolarHBondContact NH2-OD1 3.35Å; R59-D82 IonicContact NH2-OD2 3.22Å; R59-D82 PolarHBondContact NH2-OD2 3.22Å; F60-D82 HydrophobicContact CZ-CB 4.24Å; L78-D82 HydrophobicContact CD2-CB 3.59Å; K79-D82 PolarHBondContact N-OD2 3Å; K79-D82 WeakPolarHBondContact O-CB 3.38Å; K79-D82 PolarHBondContact O-N 2.99Å; S80-D82 PolarHBondContact O-N 2.79Å; D82-A84 PolarHBondContact O-N 3.34Å; D82-Y86 VanDerWaalsContact O-CE2 3.28Å; D82-Y86 WeakPolarHBondContact O-CE2 3.48Å; D82-Y86 PolarHBondContact O-OH 2.88Å; D82-V106 HydrophobicContact CB-CG2 4.42Å
83	T	97.2	Very high	93.9	Very high	34 Å²	34	45.6 Å²	45.6	21%	0.209	25%	0.247	C	C	.	.			trans	-64.7	111.8	171.9	-62.7	0	0	0	0	110.3	S80 E81 V104 T105 V106	S80-T83 VanDerWaalsContact O-CB 3.23Å; S80-T83 WeakPolarHBondContact O-CB 3.4Å; S80-T83 PolarHBondContact O-N 3.48Å; S80-T83 PolarHBondContact O-OG1 2.02Å; E81-T83 VanDerWaalsContact C-N 3.25Å; T83-V104 VanDerWaalsContact CA-O 3.32Å; T83-V104 WeakPolarHBondContact CA-O 3.42Å; T83-T105 HydrophobicContact CG2-CG2 4.41Å; T83-V106 PolarHBondContact OG1-N 2.83Å
84	A	97.3	Very high	92.4	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.008	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	165.9	-176.1	0	0	0	0	0	111.3	R30 Q31 A32 D82 Y86 V104	R30-A84 HydrophobicContact CB-CB 3.88Å; R30-A84 HydrophobicContact CG-CB 4.2Å; Q31-A84 WeakPolarHBondContact O-CA 3.26Å; Q31-A84 WeakPolarHBondContact O-CB 3.17Å; A32-A84 HydrophobicContact CB-CB 4.4Å; D82-A84 PolarHBondContact O-N 3.34Å; A84-Y86 HydrophobicContact CB-CD2 4.26Å; A84-Y86 HydrophobicContact CB-CE2 3.77Å; A84-Y86 VanDerWaalsContact O-CD2 3.31Å; A84-Y86 WeakPolarHBondContact O-CD2 3.03Å; A84-V104 PolarHBondContact N-O 3.45Å; A84-V104 VanDerWaalsContact N-O 3.1Å; A84-V104 PolarHBondContact O-N 2.79Å
85	M	97.8	Very high	91.2	Very high	58 Å²	58	48.5 Å²	48.5	29%	0.286	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	124.3	161.3	-165.4	64.3	64.7	0	0	109	R30 Q31 Y87 T102 L103	R30-M85 CarbonylContact C-O 3.54Å; R30-M85 WeakPolarHBondContact CA-O 3.33Å; Q31-M85 PolarHBondContact N-O 2.93Å; Q31-M85 PolarHBondContact O-N 2.91Å; M85-Y87 HydrophobicContact CB-CE2 3.81Å; M85-Y87 HydrophobicContact CG-CD2 4.47Å; M85-Y87 HydrophobicContact CG-CE1 3.74Å; M85-Y87 HydrophobicContact CG-CE2 3.68Å; M85-Y87 VanDerWaalsContact CG-OH 3.26Å; M85-Y87 WeakPolarHBondContact CG-OH 3.39Å; M85-T102 PolarHBondContact SD-N 2.83Å; M85-T102 VanDerWaalsContact SD-N 3.4Å; M85-L103 HydrophobicContact CE-CB 3.81Å; M85-L103 HydrophobicContact CE-CD1 4.2Å; M85-L103 HydrophobicContact SD-CB 4.06Å; M85-L103 PolarHBondContact SD-N 2.8Å
86	Y	97.9	Very high	89.8	Confident	1 Å²	1	50.8 Å²	50.8	0%	0.004	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	128.2	-179.6	-74.5	-101.7	0	0	0	110.9	L12 V29 R30 V40 F60 L73 M75 D82 A84 G101 T102 V104	L12-Y86 HydrophobicContact CD1-CD1 4.06Å; L12-Y86 HydrophobicContact CD1-CD2 4.31Å; L12-Y86 HydrophobicContact CD1-CG 3.74Å; V29-Y86 CarbonylContact O-C 3.59Å; V29-Y86 WeakPolarHBondContact O-CA 3.48Å; R30-Y86 HydrophobicContact CB-CD1 3.8Å; R30-Y86 HydrophobicContact CB-CD2 4.41Å; R30-Y86 HydrophobicContact CB-CE1 3.75Å; R30-Y86 HydrophobicContact CB-CE2 4.35Å; R30-Y86 HydrophobicContact CB-CG 4.13Å; R30-Y86 WeakPolarHBondContact CD-OH 3.44Å; R30-Y86 HydrophobicContact CG-CE1 4.38Å; R30-Y86 PolarHBondContact NH1-OH 3.17Å; V40-Y86 HydrophobicContact CG2-CE1 4.36Å; F60-Y86 HydrophobicContact CE2-CE1 4.23Å; L73-Y86 HydrophobicContact CD2-CD1 4.2Å; L73-Y86 HydrophobicContact CD2-CE1 4.36Å; M75-Y86 HydrophobicContact CE-CE1 3.91Å; M75-Y86 HydrophobicContact CE-CE2 4.04Å; M75-Y86 HydrophobicContact SD-CE1 4.41Å; D82-Y86 VanDerWaalsContact O-CE2 3.28Å; D82-Y86 WeakPolarHBondContact O-CE2 3.48Å; D82-Y86 PolarHBondContact O-OH 2.88Å; A84-Y86 HydrophobicContact CB-CD2 4.26Å; A84-Y86 HydrophobicContact CB-CE2 3.77Å; A84-Y86 VanDerWaalsContact O-CD2 3.31Å; A84-Y86 WeakPolarHBondContact O-CD2 3.03Å; Y86-G101 CarbonylContact O-C 3.54Å; Y86-G101 WeakPolarHBondContact O-CA 3.29Å; Y86-T102 PolarHBondContact N-O 3.2Å; Y86-T102 PolarHBondContact O-N 3.24Å; Y86-V104 HydrophobicContact CD2-CB 3.89Å; Y86-V104 HydrophobicContact CD2-CG2 3.65Å; Y86-V104 HydrophobicContact CE2-CB 3.77Å; Y86-V104 HydrophobicContact CE2-CG1 4.48Å; Y86-V104 HydrophobicContact CE2-CG2 3.95Å; Y86-V104 HydrophobicContact CG-CG2 4.47Å
87	Y	97.4	Very high	89.2	Confident	44 Å²	44	55 Å²	55	17%	0.173	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	136.8	-178.7	-51	-90.3	0	0	0	110.2	W28 V29 Q31 L37 M85 W98	W28-Y87 WeakPolarHBondContact CA-O 3.31Å; W28-Y87 VanDerWaalsContact CE3-C 3.48Å; V29-Y87 PolarHBondContact N-O 2.8Å; V29-Y87 PolarHBondContact O-N 2.7Å; Q31-Y87 HydrophobicContact CB-CE2 3.97Å; Q31-Y87 PolarHBondContact OE1-OH 2.86Å; L37-Y87 HydrophobicContact CD2-CD2 4.37Å; L37-Y87 HydrophobicContact CD2-CE2 4.3Å; M85-Y87 HydrophobicContact CB-CE2 3.81Å; M85-Y87 HydrophobicContact CG-CD2 4.47Å; M85-Y87 HydrophobicContact CG-CE1 3.74Å; M85-Y87 HydrophobicContact CG-CE2 3.68Å; M85-Y87 VanDerWaalsContact CG-OH 3.26Å; M85-Y87 WeakPolarHBondContact CG-OH 3.39Å; Y87-W98 HydrophobicContact CG-CE3 4.16Å; Y87-W98 HydrophobicContact CG-CZ3 4.48Å
88	C	96.1	Very high	89	Confident	10 Å²	10	56.7 Å²	56.7	7%	0.068	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	145.7	162.8	54.3	0	0	0	0	109.5	C14 H27 W28 L71 W98 G99	C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.41Å; C14-C88 WeakPolarHBondContact SG-CB 3.37Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.8Å; H27-C88 CarbonylContact O-C 3.44Å; H27-C88 VanDerWaalsContact O-CA 3.27Å; H27-C88 WeakPolarHBondContact O-CA 3.01Å; W28-C88 HydrophobicContact CE3-CB 4.44Å; W28-C88 HydrophobicContact CH2-CB 4.34Å; W28-C88 HydrophobicContact CZ2-CB 4.43Å; W28-C88 HydrophobicContact CZ3-CB 4.34Å; L71-C88 HydrophobicContact CD2-CB 3.96Å; C88-W98 CarbonylContact O-C 3.41Å; C88-W98 WeakPolarHBondContact O-CA 3.47Å; C88-G99 PolarHBondContact O-N 2.99Å
89	A	95.4	Very high	88.7	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.008	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	143.6	177.5	0	0	0	0	0	112.6	H27 L95 Y97 W98	H27-A89 HydrophobicContact CB-CB 4.38Å; H27-A89 PolarHBondContact N-O 2.8Å; H27-A89 PolarHBondContact O-N 3.45Å; A89-L95 HydrophobicContact CB-CB 4.46Å; A89-L95 HydrophobicContact CB-CD2 3.94Å; A89-Y97 CarbonylContact C-O 3.51Å; A89-Y97 WeakPolarHBondContact CA-O 3.32Å; A89-W98 HydrophobicContact CB-CD2 3.97Å; A89-W98 HydrophobicContact CB-CE3 4.15Å; A89-W98 HydrophobicContact CB-CG 4.38Å
90	R	93.8	Very high	88.6	Confident	19 Å²	19	63 Å²	63	7%	0.072	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	134.4	178.4	-173.7	-179.3	73.2	173	2.3	111.4	F19 Y24 M26 A96 Y97	F19-R90 VanDerWaalsContact CB-NH1 3.32Å; F19-R90 VanDerWaalsContact CE2-CD 3.49Å; F19-R90 HydrophobicContact CE2-CG 4.05Å; F19-R90 HydrophobicContact CZ-CB 4.42Å; F19-R90 HydrophobicContact CZ-CG 4.2Å; Y24-R90 HydrophobicContact CD1-CG 4.09Å; Y24-R90 HydrophobicContact CG-CG 3.92Å; M26-R90 HydrophobicContact CE-CB 4.42Å; M26-R90 HydrophobicContact SD-CB 4.11Å; M26-R90 HydrophobicContact SD-CG 4.13Å; R90-A96 PolarHBondContact O-N 2.83Å; R90-Y97 PolarHBondContact N-O 3.23Å
91	H	85.2	Confident	88.5	Confident	74 Å²	74	60.6 Å²	60.6	34%	0.343	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	114.8	174	-170.4	78.8	0	0	0	111.6	Y24 G25 H27 Y42	Y24-H91 WeakPolarHBondContact CD1-O 3.45Å; G25-H91 WeakPolarHBondContact O-CB 3.42Å; G25-H91 PolarHBondContact O-N 3.5Å; H27-H91 AromaticContact CE1-ND1 3.95Å; H27-H91 AromaticContact NE2-CG 3.59Å; H27-H91 AromaticContact NE2-ND1 3.03Å; H27-H91 PolarHBondContact NE2-ND1 2.78Å; Y42-H91 HydrophobicContact CE2-CB 4.21Å
92	R	78.4	Confident	88.6	Confident	152 Å²	152	56 Å²	56	57%	0.574	31%	0.307	S	S	*	.	S	Bend	trans	-141.9	64.1	173	-168.5	-175.8	-175.5	-156.2	3.4	110.6	Y24 A94 A96	Y24-R92 HydrophobicContact CE1-CB 4.43Å; Y24-R92 HydrophobicContact CE1-CG 4.17Å; R92-A94 PolarHBondContact N-O 3.07Å; R92-A94 PolarHBondContact O-N 2.86Å; R92-A96 HydrophobicContact CB-CB 4.3Å
93	G	67.8	Low	88.7	Confident	78 Å²	78	60.2 Å²	60.2	80%	0.804	33%	0.329	S	S	*	.	S	Bend	trans	72.2	-27.6	-171.4	0	0	0	0	0	114.2
94	A	67.2	Low	88.7	Confident	64 Å²	64	58.6 Å²	58.6	53%	0.529	32%	0.319	S	S	.	.	S	Bend	trans	-141.6	174.3	165.3	0	0	0	0	0	110.2	R92 A96	R92-A94 PolarHBondContact N-O 3.07Å; R92-A94 PolarHBondContact O-N 2.86Å; A94-A96 VanDerWaalsContact C-N 3.29Å; A94-A96 PolarHBondContact O-N 3.13Å
95	L	72.7	Confident	88.6	Confident	61 Å²	61	60.8 Å²	60.8	32%	0.319	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	79.5	172.4	-64.5	178.3	0	0	0	110.1	H27 V29 A89 W98	H27-L95 HydrophobicContact CB-CD2 3.93Å; H27-L95 WeakPolarHBondContact CD2-CD2 3.22Å; V29-L95 HydrophobicContact CG2-CD1 4.1Å; A89-L95 HydrophobicContact CB-CB 4.46Å; A89-L95 HydrophobicContact CB-CD2 3.94Å; L95-W98 HydrophobicContact CB-CZ2 3.69Å; L95-W98 HydrophobicContact CD1-CH2 3.78Å; L95-W98 HydrophobicContact CD1-CZ2 3.52Å; L95-W98 HydrophobicContact CG-CZ2 4.23Å; L95-W98 PolarHBondContact O-NE1 3.5Å
96	A	69.3	Low	88.5	Confident	48 Å²	48	58.3 Å²	58.3	40%	0.397	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-24.8	-165.2	0	0	0	0	0	114.5	R90 R92 A94	R90-A96 PolarHBondContact O-N 2.83Å; R92-A96 HydrophobicContact CB-CB 4.3Å; A94-A96 VanDerWaalsContact C-N 3.29Å; A94-A96 PolarHBondContact O-N 3.13Å
97	Y	84.6	Confident	88.1	Confident	134 Å²	134	63.4 Å²	63.4	53%	0.525	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	132.4	-176.1	-64.9	-95.4	0	0	0	110	A89 R90	A89-Y97 CarbonylContact C-O 3.51Å; A89-Y97 WeakPolarHBondContact CA-O 3.32Å; R90-Y97 PolarHBondContact N-O 3.23Å
98	W	92	Very high	87.7	Confident	102 Å²	102	64.4 Å²	64.4	39%	0.386	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	141.2	-173.4	-64.9	74.1	0	0	0	110.2	V29 L37 Y87 C88 A89 L95	V29-W98 HydrophobicContact CB-CH2 3.88Å; V29-W98 HydrophobicContact CB-CZ3 3.55Å; V29-W98 HydrophobicContact CG1-CH2 3.74Å; V29-W98 HydrophobicContact CG1-CZ3 3.69Å; V29-W98 HydrophobicContact CG2-CH2 3.72Å; V29-W98 HydrophobicContact CG2-CZ3 3.79Å; L37-W98 HydrophobicContact CD1-CH2 3.99Å; L37-W98 HydrophobicContact CD1-CZ2 4.49Å; L37-W98 HydrophobicContact CD1-CZ3 4.45Å; L37-W98 HydrophobicContact CD2-CH2 4.29Å; L37-W98 HydrophobicContact CD2-CZ3 4.05Å; Y87-W98 HydrophobicContact CG-CE3 4.16Å; Y87-W98 HydrophobicContact CG-CZ3 4.48Å; C88-W98 CarbonylContact O-C 3.41Å; C88-W98 WeakPolarHBondContact O-CA 3.47Å; A89-W98 HydrophobicContact CB-CD2 3.97Å; A89-W98 HydrophobicContact CB-CE3 4.15Å; A89-W98 HydrophobicContact CB-CG 4.38Å; L95-W98 HydrophobicContact CB-CZ2 3.69Å; L95-W98 HydrophobicContact CD1-CH2 3.78Å; L95-W98 HydrophobicContact CD1-CZ2 3.52Å; L95-W98 HydrophobicContact CG-CZ2 4.23Å; L95-W98 PolarHBondContact O-NE1 3.5Å
99	G	92.7	Very high	87.2	Confident	27 Å²	27	67.3 Å²	67.3	28%	0.278	38%	0.381	S	S	.	.			trans	-70.9	167.3	167.5	0	0	0	0	0	111.6	C88 G101	C88-G99 PolarHBondContact O-N 2.99Å; G99-G101 PolarHBondContact O-N 3.11Å
100	Q	92.1	Very high	86.8	Confident	202 Å²	202	70.9 Å²	70.9	94%	0.944	40%	0.402	S	S	*	.			trans	-63.2	-15.4	-178.4	-68.6	-175.8	-36.4	0	0	114.5
101	G	94	Very high	86.4	Confident	28 Å²	28	74 Å²	74	29%	0.289	42%	0.422	S	S	.	.			trans	88.9	157.1	-177	0	0	0	0	0	112.7	Y86 G99	Y86-G101 CarbonylContact O-C 3.54Å; Y86-G101 WeakPolarHBondContact O-CA 3.29Å; G99-G101 PolarHBondContact O-N 3.11Å
102	T	96.3	Very high	86.4	Confident	36 Å²	36	74 Å²	74	22%	0.221	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	128.8	173.5	-152.2	0	0	0	0	111.2	G1 L12 M85 Y86 V104	G1-T102 VanDerWaalsContact CA-OG1 3.22Å; G1-T102 WeakPolarHBondContact CA-OG1 3.47Å; G1-T102 PolarHBondContact N-OG1 3.44Å; L12-T102 HydrophobicContact CD1-CG2 3.95Å; L12-T102 HydrophobicContact CD2-CG2 3.82Å; L12-T102 HydrophobicContact CG-CG2 4.4Å; M85-T102 PolarHBondContact SD-N 2.83Å; M85-T102 VanDerWaalsContact SD-N 3.4Å; Y86-T102 PolarHBondContact N-O 3.2Å; Y86-T102 PolarHBondContact O-N 3.24Å; T102-V104 PolarHBondContact O-N 3.04Å
103	L	96.8	Very high	87	Confident	90 Å²	90	68.8 Å²	68.8	47%	0.471	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	127.5	-178.7	-177.2	62.2	0	0	0	109.6	G1 G2 M85	G1-L103 CarbonylContact C-O 3.49Å; G1-L103 WeakPolarHBondContact CA-O 3.25Å; G2-L103 PolarHBondContact N-O 3.05Å; G2-L103 VanDerWaalsContact N-O 3.11Å; M85-L103 HydrophobicContact CE-CB 3.81Å; M85-L103 HydrophobicContact CE-CD1 4.2Å; M85-L103 HydrophobicContact SD-CB 4.06Å; M85-L103 PolarHBondContact SD-N 2.8Å
104	V	97.1	Very high	88.4	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	127.9	167.6	178.3	0	0	0	0	107.6	L10 L12 M75 T83 A84 Y86 T102 V106	L10-V104 HydrophobicContact CD2-CB 4.47Å; L10-V104 HydrophobicContact CD2-CG1 3.91Å; L10-V104 HydrophobicContact CD2-CG2 3.78Å; L12-V104 HydrophobicContact CD1-CG2 4.05Å; L12-V104 HydrophobicContact CD2-CG2 3.84Å; L12-V104 HydrophobicContact CG-CG2 4.47Å; M75-V104 HydrophobicContact CE-CG1 4.19Å; T83-V104 VanDerWaalsContact CA-O 3.32Å; T83-V104 WeakPolarHBondContact CA-O 3.42Å; A84-V104 PolarHBondContact N-O 3.45Å; A84-V104 VanDerWaalsContact N-O 3.1Å; A84-V104 PolarHBondContact O-N 2.79Å; Y86-V104 HydrophobicContact CD2-CB 3.89Å; Y86-V104 HydrophobicContact CD2-CG2 3.65Å; Y86-V104 HydrophobicContact CE2-CB 3.77Å; Y86-V104 HydrophobicContact CE2-CG1 4.48Å; Y86-V104 HydrophobicContact CE2-CG2 3.95Å; Y86-V104 HydrophobicContact CG-CG2 4.47Å; T102-V104 PolarHBondContact O-N 3.04Å; V104-V106 HydrophobicContact CG1-CG2 4.33Å
105	T	96.5	Very high	90	Very high	47 Å²	47	68.5 Å²	68.5	29%	0.288	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129	177.3	-55.4	0	0	0	0	109.1	G2 L3 V4 T83	G2-T105 PolarHBondContact O-N 2.99Å; L3-T105 WeakPolarHBondContact CA-O 3.31Å; L3-T105 HydrophobicContact CD1-CG2 3.67Å; V4-T105 PolarHBondContact N-O 3.49Å; T83-T105 HydrophobicContact CG2-CG2 4.41Å
106	V	95.6	Very high	91.4	Very high	7 Å²	7	69.1 Å²	69.1	4%	0.042	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	105.4	177.6	-168.9	0	0	0	0	109.2	V4 P6 L78 K79 D82 T83 V104	V4-V106 HydrophobicContact CG2-CG1 4.49Å; V4-V106 HydrophobicContact CG2-CG2 3.93Å; V4-V106 VanDerWaalsContact O-CA 3.25Å; V4-V106 WeakPolarHBondContact O-CA 3.44Å; P6-V106 HydrophobicContact CB-CG1 4.46Å; P6-V106 HydrophobicContact CG-CG1 4.19Å; L78-V106 HydrophobicContact CB-CG1 4.25Å; L78-V106 HydrophobicContact CB-CG2 4.13Å; L78-V106 HydrophobicContact CD2-CG2 4.46Å; K79-V106 WeakPolarHBondContact O-CB 3.49Å; K79-V106 WeakPolarHBondContact O-CG1 3.28Å; K79-V106 WeakPolarHBondContact O-CG2 3.14Å; D82-V106 HydrophobicContact CB-CG2 4.42Å; T83-V106 PolarHBondContact OG1-N 2.83Å; V104-V106 HydrophobicContact CG1-CG2 4.33Å
107	S	90.1	Very high	93.4	Very high	108 Å²	108	71 Å²	71	76%	0.755	38%	0.382	S	S	*	.			trans	-148.4	0	-178.1	67.3	0	0	0	0	112.1	L3 V4	L3-S107 WeakPolarHBondContact CD1-OG 3.35Å; V4-S107 PolarHBondContact O-N 3.46Å; V4-S107 VanDerWaalsContact O-N 3.12Å

Retrieved 107 of 107 residues in 25.9 ms (Link to these results)

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