X5J5N5_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5N5, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 104 aa.

						>X5J5N5_MOUSE|X5J5N5
PGASVKLSCKASGYTFTSYDINWVKQRPGQGLEWIGWIYPRDGSTKYNEKFKGKATLTVDTSSSTAYMELHSPTSEDSAVYFCARPSGNHFDYWGQGTTHTVSS
					

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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	62	Low	87.7	Confident	145 Å²	145	68.5 Å²	68.5	94%	0.942	42%	0.421	S	S	*	.				0	118.9	0	-14.2	31	0	0	0	109.5
2	G	68.9	Low	87.9	Confident	31 Å²	31	71.3 Å²	71.3	32%	0.32	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-78.8	171	-178.2	0	0	0	0	0	113.4	S72 P73	G2-S72 WeakPolarHBondContact O-CA 3.24Å; G2-P73 PolarHBondContact N-O 2.85Å
3	A	83.5	Confident	88	Confident	93 Å²	93	72.7 Å²	72.7	77%	0.769	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-61.1	149	164.7	0	0	0	0	0	110.1	V5 P73	A3-V5 PolarHBondContact O-N 3.21Å; A3-P73 WeakPolarHBondContact O-CD 3.26Å
4	S	89.3	Confident	88	Confident	58 Å²	58	71.7 Å²	71.7	41%	0.406	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-56.8	140.1	176.7	-62.7	0	0	0	0	110.9	L70 H71	S4-L70 VanDerWaalsContact CA-O 3.24Å; S4-L70 WeakPolarHBondContact CA-O 3.25Å; S4-L70 WeakPolarHBondContact CB-O 3.5Å; S4-H71 PolarHBondContact OG-ND1 3.48Å
5	V	92	Very high	88.3	Confident	25 Å²	25	72.8 Å²	72.8	15%	0.152	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	132.7	177.3	59.4	0	0	0	0	109.7	A3 L7 E69 L70 P73	A3-V5 PolarHBondContact O-N 3.21Å; V5-L7 HydrophobicContact CG2-CD2 4.2Å; V5-E69 CarbonylContact O-C 3.59Å; V5-E69 VanDerWaalsContact O-CA 3.29Å; V5-E69 WeakPolarHBondContact O-CA 3.4Å; V5-L70 HydrophobicContact CG1-CB 3.78Å; V5-L70 HydrophobicContact CG1-CD1 4.05Å; V5-L70 HydrophobicContact CG1-CG 4.4Å; V5-L70 PolarHBondContact N-O 3Å; V5-L70 PolarHBondContact O-N 3.3Å; V5-P73 HydrophobicContact CG1-CG 4.35Å
6	K	95.3	Very high	88.5	Confident	123 Å²	123	68.7 Å²	68.7	54%	0.535	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	118.4	175.8	-170.8	174.1	-176.3	175.4	0	110.3	Y67 M68	K6-Y67 HydrophobicContact CD-CD1 4.36Å; K6-Y67 VanDerWaalsContact CE-CD1 3.46Å; K6-Y67 VanDerWaalsContact CE-CG 3.49Å; K6-Y67 HydrophobicContact CG-CD1 4.3Å; K6-M68 WeakPolarHBondContact CA-O 3.21Å
7	L	95.6	Very high	88.8	Confident	14 Å²	14	67.8 Å²	67.8	7%	0.073	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	145.8	173.9	-58.1	178.2	0	0	0	109.5	V5 W23 Y67 M68 Y81 T98	V5-L7 HydrophobicContact CG2-CD2 4.2Å; L7-W23 HydrophobicContact CB-CH2 4.05Å; L7-W23 HydrophobicContact CB-CZ3 3.9Å; L7-Y67 CarbonylContact O-C 3.57Å; L7-Y67 WeakPolarHBondContact O-CA 3.22Å; L7-Y67 WeakPolarHBondContact O-CB 3.25Å; L7-M68 HydrophobicContact CD1-CE 3.6Å; L7-M68 PolarHBondContact N-O 2.96Å; L7-M68 PolarHBondContact O-N 2.78Å; L7-Y81 VanDerWaalsContact CD1-CB 3.46Å; L7-Y81 HydrophobicContact CD1-CD1 4.12Å; L7-Y81 HydrophobicContact CD1-CD2 3.98Å; L7-Y81 HydrophobicContact CD1-CG 3.58Å; L7-T98 HydrophobicContact CD2-CG2 4.24Å
8	S	96.6	Very high	89	Confident	79 Å²	79	67.3 Å²	67.3	55%	0.552	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.5	147.8	178.7	62.2	0	0	0	0	111.3	A66	S8-A66 CarbonylContact C-O 3.55Å; S8-A66 WeakPolarHBondContact CA-O 3.2Å
9	C	95.4	Very high	89.1	Confident	15 Å²	15	68.5 Å²	68.5	10%	0.101	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	105.6	174.1	178.5	0	0	0	0	108.6	W23 T65 A66 C83	C9-W23 HydrophobicContact CB-CH2 3.8Å; C9-W23 HydrophobicContact CB-CZ2 3.9Å; C9-T65 WeakPolarHBondContact O-CA 3.46Å; C9-A66 PolarHBondContact N-O 2.78Å; C9-A66 PolarHBondContact O-N 2.92Å; C9-C83 HydrophobicContact CB-CB 3.43Å; C9-C83 VanDerWaalsContact CB-CB 3.43Å; C9-C83 WeakPolarHBondContact CB-SG 3.4Å; C9-C83 WeakPolarHBondContact SG-CB 3.44Å; C9-C83 CovalentContact SG-SG 2.03Å; C9-C83 PolarHBondContact SG-SG 3.41Å
10	K	95.1	Very high	89.3	Confident	158 Å²	158	67 Å²	67	69%	0.687	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	121.8	179.2	-173.2	173.7	-176.3	177.9	0	110.1	T65	K10-T65 HydrophobicContact CB-CG2 4.48Å
11	A	91.6	Very high	89.6	Confident	12 Å²	12	63.8 Å²	63.8	10%	0.099	40%	0.399	C	S	.	.			trans	-76.4	147.4	175.8	0	0	0	0	0	111.5	Y14 F16 S64	A11-Y14 HydrophobicContact CB-CE1 3.78Å; A11-Y14 HydrophobicContact CB-CE2 4.15Å; A11-Y14 VanDerWaalsContact CB-CZ 3.46Å; A11-Y14 VanDerWaalsContact CB-OH 3.24Å; A11-Y14 WeakPolarHBondContact CB-OH 3.5Å; A11-F16 HydrophobicContact CB-CB 4.18Å; A11-F16 HydrophobicContact CB-CD2 3.27Å; A11-F16 HydrophobicContact CB-CE2 3.87Å; A11-F16 HydrophobicContact CB-CG 4.02Å; A11-S64 PolarHBondContact N-O 2.96Å
12	S	90.2	Very high	91.2	Very high	103 Å²	103	57.2 Å²	57.2	72%	0.72	36%	0.356	S	S	*	.			trans	-149.3	147.3	173.1	60.9	0	0	0	0	110.2	Y14	S12-Y14 VanDerWaalsContact O-CD1 3.22Å; S12-Y14 WeakPolarHBondContact O-CD1 3.45Å; S12-Y14 PolarHBondContact O-N 3.07Å
13	G	88.7	Confident	92.6	Very high	89 Å²	89	56 Å²	56	92%	0.918	34%	0.341	S	S	*	.	S	Bend	trans	78.4	12.1	175.7	0	0	0	0	0	116.2
14	Y	87.5	Confident	93.2	Very high	59 Å²	59	51.8 Å²	51.8	23%	0.231	31%	0.306	C	S	.	.	S	Bend	trans	-156	165.5	173.6	64.2	-83.9	0	0	0	111.9	A11 S12 F16 Y19 I21 R85	A11-Y14 HydrophobicContact CB-CE1 3.78Å; A11-Y14 HydrophobicContact CB-CE2 4.15Å; A11-Y14 VanDerWaalsContact CB-CZ 3.46Å; A11-Y14 VanDerWaalsContact CB-OH 3.24Å; A11-Y14 WeakPolarHBondContact CB-OH 3.5Å; S12-Y14 VanDerWaalsContact O-CD1 3.22Å; S12-Y14 WeakPolarHBondContact O-CD1 3.45Å; S12-Y14 PolarHBondContact O-N 3.07Å; Y14-F16 HydrophobicContact CE2-CD2 4.42Å; Y14-F16 PolarHBondContact O-N 3.26Å; Y14-F16 VanDerWaalsContact O-N 3.09Å; Y14-Y19 AromaticContact CD2-CD2 3.7Å; Y14-Y19 HydrophobicContact CD2-CD2 3.7Å; Y14-Y19 HydrophobicContact CD2-CE2 4.24Å; Y14-Y19 HydrophobicContact CE2-CD2 4.14Å; Y14-I21 WeakPolarHBondContact OH-CD1 3.4Å; Y14-R85 HydrophobicContact CE2-CG 4.49Å; Y14-R85 VanDerWaalsContact CG-NH1 3.28Å
15	T	92.3	Very high	93.5	Very high	88 Å²	88	49 Å²	49	54%	0.54	29%	0.287	S	S	.	.			trans	-70.1	102.8	171.9	-54.9	0	0	0	0	109.6	T17 S18	T15-T17 PolarHBondContact O-N 3.14Å; T15-T17 VanDerWaalsContact O-N 3.13Å; T15-S18 WeakPolarHBondContact CB-OG 3.39Å; T15-S18 VanDerWaalsContact CG2-OG 3.3Å; T15-S18 WeakPolarHBondContact CG2-OG 2.98Å; T15-S18 WeakPolarHBondContact O-CB 3.32Å; T15-S18 PolarHBondContact O-N 2.93Å
16	F	92.3	Very high	93.6	Very high	7 Å²	7	51.3 Å²	51.3	3%	0.031	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-55.1	-33.5	-174.3	178.7	-122.2	0	0	0	113.8	A11 Y14 S18 I21 P40 V59 S64 A66	A11-F16 HydrophobicContact CB-CB 4.18Å; A11-F16 HydrophobicContact CB-CD2 3.27Å; A11-F16 HydrophobicContact CB-CE2 3.87Å; A11-F16 HydrophobicContact CB-CG 4.02Å; Y14-F16 HydrophobicContact CE2-CD2 4.42Å; Y14-F16 PolarHBondContact O-N 3.26Å; Y14-F16 VanDerWaalsContact O-N 3.09Å; F16-S18 VanDerWaalsContact C-N 3.26Å; F16-S18 PolarHBondContact O-N 3.04Å; F16-I21 HydrophobicContact CD2-CD1 4.26Å; F16-I21 HydrophobicContact CD2-CG1 4.48Å; F16-I21 HydrophobicContact CE2-CD1 3.89Å; F16-I21 HydrophobicContact CE2-CG1 3.71Å; F16-I21 HydrophobicContact CZ-CG1 4.4Å; F16-P40 HydrophobicContact CD1-CB 3.84Å; F16-P40 HydrophobicContact CD1-CG 4.2Å; F16-P40 HydrophobicContact CD2-CG 4.19Å; F16-P40 HydrophobicContact CE1-CB 3.67Å; F16-P40 HydrophobicContact CE1-CG 3.87Å; F16-P40 HydrophobicContact CE2-CG 3.86Å; F16-P40 HydrophobicContact CG-CB 4.37Å; F16-P40 HydrophobicContact CG-CG 4.38Å; F16-P40 HydrophobicContact CZ-CB 4.03Å; F16-P40 HydrophobicContact CZ-CG 3.68Å; F16-P40 WeakPolarHBondContact O-CG 3.45Å; F16-V59 HydrophobicContact CE1-CG2 3.43Å; F16-V59 VanDerWaalsContact CE1-CG2 3.43Å; F16-V59 HydrophobicContact CZ-CG2 3.77Å; F16-S64 VanDerWaalsContact CD1-CA 3.44Å; F16-A66 HydrophobicContact CE2-CB 4.47Å; F16-A66 HydrophobicContact CZ-CB 4.13Å
17	T	93.9	Very high	93.5	Very high	54 Å²	54	48.1 Å²	48.1	33%	0.331	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-79.5	1.2	179.1	54.6	0	0	0	0	115	T15 P40 R41 T61	T15-T17 PolarHBondContact O-N 3.14Å; T15-T17 VanDerWaalsContact O-N 3.13Å; T17-P40 HydrophobicContact CG2-CB 4.4Å; T17-R41 WeakPolarHBondContact O-CB 3.44Å; T17-T61 HydrophobicContact CG2-CG2 4.07Å
18	S	92.1	Very high	93.1	Very high	59 Å²	59	53.1 Å²	53.1	41%	0.413	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-97.1	-7.9	179.8	-58.5	0	0	0	0	114.1	T15 F16	T15-S18 WeakPolarHBondContact CB-OG 3.39Å; T15-S18 VanDerWaalsContact CG2-OG 3.3Å; T15-S18 WeakPolarHBondContact CG2-OG 2.98Å; T15-S18 WeakPolarHBondContact O-CB 3.32Å; T15-S18 PolarHBondContact O-N 2.93Å; F16-S18 VanDerWaalsContact C-N 3.26Å; F16-S18 PolarHBondContact O-N 3.04Å
19	Y	90.6	Very high	92.7	Very high	90 Å²	90	53.7 Å²	53.7	35%	0.353	33%	0.332	S	S	.	.	S	Bend	trans	-139.5	144.6	-175.8	-60.4	-87	0	0	0	111.1	Y14 P40 R85	Y14-Y19 AromaticContact CD2-CD2 3.7Å; Y14-Y19 HydrophobicContact CD2-CD2 3.7Å; Y14-Y19 HydrophobicContact CD2-CE2 4.24Å; Y14-Y19 HydrophobicContact CE2-CD2 4.14Å; Y19-P40 WeakPolarHBondContact O-CD 3.42Å; Y19-R85 HydrophobicContact CD1-CG 4.33Å; Y19-R85 HydrophobicContact CG-CG 4.02Å
20	D	93.6	Very high	92.5	Very high	37 Å²	37	57.9 Å²	57.9	20%	0.198	35%	0.35	C	S	.	.			trans	-73.1	150	169.1	61.3	-45.9	0	0	0	111.1	N22 W37 I38 Y39 P86	D20-N22 PolarHBondContact OD2-ND2 3.31Å; D20-W37 HydrophobicContact CB-CB 4.44Å; D20-W37 HydrophobicContact CB-CD2 4.4Å; D20-W37 HydrophobicContact CB-CE3 4.04Å; D20-I38 WeakPolarHBondContact CA-O 3.2Å; D20-Y39 HydrophobicContact CB-CD2 4.02Å; D20-P86 WeakPolarHBondContact O-CD 3Å; D20-P86 WeakPolarHBondContact OD1-CD 3.45Å; D20-P86 WeakPolarHBondContact OD1-CG 3.43Å
21	I	95.4	Very high	92.3	Very high	1 Å²	1	53 Å²	53	1%	0.005	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	118.1	177	-52	-59.5	0	0	0	107.5	Y14 F16 W37 I38 P40 A66 C83	Y14-I21 WeakPolarHBondContact OH-CD1 3.4Å; F16-I21 HydrophobicContact CD2-CD1 4.26Å; F16-I21 HydrophobicContact CD2-CG1 4.48Å; F16-I21 HydrophobicContact CE2-CD1 3.89Å; F16-I21 HydrophobicContact CE2-CG1 3.71Å; F16-I21 HydrophobicContact CZ-CG1 4.4Å; I21-W37 CarbonylContact O-C 3.45Å; I21-W37 WeakPolarHBondContact O-CA 3.43Å; I21-I38 HydrophobicContact CB-CG2 4.3Å; I21-I38 PolarHBondContact N-O 2.86Å; I21-I38 PolarHBondContact O-N 3.42Å; I21-P40 HydrophobicContact CG1-CG 4.03Å; I21-A66 HydrophobicContact CB-CB 4.06Å; I21-A66 HydrophobicContact CG1-CB 4.11Å; I21-A66 HydrophobicContact CG2-CB 3.9Å; I21-C83 HydrophobicContact CG2-CB 4.06Å
22	N	96.2	Very high	92.4	Very high	7 Å²	7	57 Å²	57	4%	0.037	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	141.9	-179.4	-74.8	-104.1	0	0	0	109.6	D20 W34 G36 W37 C83 A84 F91	D20-N22 PolarHBondContact OD2-ND2 3.31Å; N22-W34 PolarHBondContact OD1-NE1 2.8Å; N22-G36 CarbonylContact C-O 3.51Å; N22-G36 WeakPolarHBondContact CA-O 3.19Å; N22-W37 HydrophobicContact CB-CB 4.46Å; N22-W37 WeakPolarHBondContact OD1-CB 3.22Å; N22-C83 CarbonylContact O-C 3.57Å; N22-C83 WeakPolarHBondContact O-CA 3.3Å; N22-A84 HydrophobicContact CB-CB 4.42Å; N22-A84 WeakPolarHBondContact CB-O 3.39Å; N22-A84 PolarHBondContact N-O 2.91Å; N22-A84 PolarHBondContact O-N 2.85Å; N22-F91 HydrophobicContact CB-CD1 4.45Å; N22-F91 HydrophobicContact CB-CE1 3.58Å; N22-F91 HydrophobicContact CB-CZ 3.96Å
23	W	97.1	Very high	92.6	Very high	5 Å²	5	53.3 Å²	53.3	2%	0.019	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	133.4	174.7	-70.2	91.1	0	0	0	109.8	L7 C9 I35 G36 L57 A66 M68 F82 C83	L7-W23 HydrophobicContact CB-CH2 4.05Å; L7-W23 HydrophobicContact CB-CZ3 3.9Å; C9-W23 HydrophobicContact CB-CH2 3.8Å; C9-W23 HydrophobicContact CB-CZ2 3.9Å; W23-I35 HydrophobicContact CB-CB 4.1Å; W23-I35 HydrophobicContact CB-CD1 4.24Å; W23-I35 WeakPolarHBondContact O-CB 2.9Å; W23-I35 PolarHBondContact O-N 2.82Å; W23-G36 PolarHBondContact N-O 3.13Å; W23-L57 HydrophobicContact CG-CD2 4.05Å; W23-A66 HydrophobicContact CZ2-CB 4.39Å; W23-M68 HydrophobicContact CB-SD 4.02Å; W23-M68 HydrophobicContact CD2-CB 3.65Å; W23-M68 HydrophobicContact CD2-SD 4.25Å; W23-M68 HydrophobicContact CE3-CB 3.89Å; W23-M68 HydrophobicContact CE3-CE 4.16Å; W23-M68 HydrophobicContact CE3-SD 4.3Å; W23-M68 HydrophobicContact CG-CB 4.15Å; W23-M68 HydrophobicContact CG-SD 4.16Å; W23-M68 HydrophobicContact CH2-CB 4.13Å; W23-M68 HydrophobicContact CZ2-CB 3.91Å; W23-M68 HydrophobicContact CZ3-CB 4.12Å; W23-F82 WeakPolarHBondContact CA-O 3.39Å; W23-C83 HydrophobicContact CE3-CB 4.36Å; W23-C83 HydrophobicContact CH2-CB 4.49Å; W23-C83 HydrophobicContact CZ3-CB 4.35Å
24	V	96.2	Very high	92.9	Very high	4 Å²	4	52.4 Å²	52.4	2%	0.024	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	136.4	-174	-175.8	0	0	0	0	109.3	L32 E33 Y81 F82 W94	V24-L32 HydrophobicContact CG1-CB 3.79Å; V24-L32 HydrophobicContact CG1-CD2 3.93Å; V24-L32 HydrophobicContact CG1-CG 4.33Å; V24-E33 WeakPolarHBondContact CA-O 3.47Å; V24-Y81 CarbonylContact O-C 3.55Å; V24-Y81 WeakPolarHBondContact O-CA 3.13Å; V24-F82 PolarHBondContact N-O 2.84Å; V24-F82 PolarHBondContact O-N 2.81Å; V24-W94 HydrophobicContact CB-CH2 4.13Å; V24-W94 HydrophobicContact CB-CZ3 3.82Å; V24-W94 HydrophobicContact CG1-CH2 4.06Å; V24-W94 HydrophobicContact CG1-CZ3 4Å; V24-W94 HydrophobicContact CG2-CH2 3.81Å; V24-W94 HydrophobicContact CG2-CZ3 3.88Å
25	K	95.3	Very high	93.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	139.3	176.2	-177.6	-177.1	177	-173.5	0	109.7	E33 I35 F51 E76 D77 A79 Y81	K25-E33 HydrophobicContact CB-CB 4.37Å; K25-E33 PolarHBondContact N-O 3.4Å; K25-E33 PolarHBondContact O-N 2.87Å; K25-I35 HydrophobicContact CB-CD1 4.01Å; K25-I35 HydrophobicContact CB-CG1 4.18Å; K25-F51 HydrophobicContact CD-CE1 4.09Å; K25-F51 HydrophobicContact CD-CZ 4.05Å; K25-E76 PolarHBondContact NZ-O 2.87Å; K25-D77 IonicContact NZ-OD1 2.62Å; K25-D77 PolarHBondContact NZ-OD1 2.9Å; K25-A79 HydrophobicContact CD-CB 4.03Å; K25-A79 VanDerWaalsContact CE-CB 3.48Å; K25-A79 HydrophobicContact CG-CB 3.38Å; K25-Y81 HydrophobicContact CB-CD1 4.16Å; K25-Y81 HydrophobicContact CB-CE1 3.92Å; K25-Y81 HydrophobicContact CD-CE1 3.96Å; K25-Y81 WeakPolarHBondContact CE-OH 3.45Å; K25-Y81 HydrophobicContact CG-CD1 4.29Å; K25-Y81 HydrophobicContact CG-CE1 3.74Å
26	Q	95.3	Very high	93.6	Very high	73 Å²	73	45.4 Å²	45.4	34%	0.341	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	119.3	170.3	-166.6	-179.5	30.5	0	0	110.4	L32 A79 V80 F82	Q26-L32 HydrophobicContact CB-CD2 3.85Å; Q26-L32 HydrophobicContact CG-CD2 3.95Å; Q26-A79 WeakPolarHBondContact O-CA 3.49Å; Q26-A79 VanDerWaalsContact O-CB 3.26Å; Q26-A79 WeakPolarHBondContact O-CB 3.19Å; Q26-V80 PolarHBondContact N-O 2.79Å; Q26-V80 PolarHBondContact O-N 3.13Å; Q26-F82 HydrophobicContact CB-CD2 4.47Å; Q26-F82 HydrophobicContact CB-CE2 3.79Å
27	R	92.6	Very high	93.8	Very high	57 Å²	57	48.3 Å²	48.3	22%	0.215	28%	0.278	C	S	.	.			trans	-89.9	150.3	171.6	-54.9	-174.5	-144.4	-166	-1.8	110.2	G29 Q30 E33 E76 A79	R27-G29 PolarHBondContact O-N 2.91Å; R27-Q30 HydrophobicContact CB-CB 4.04Å; R27-Q30 HydrophobicContact CB-CG 4.1Å; R27-Q30 VanDerWaalsContact CD-OE1 3.28Å; R27-Q30 PolarHBondContact O-N 3Å; R27-E33 IonicContact CZ-OE1 3.04Å; R27-E33 IonicContact NE-OE1 2.71Å; R27-E33 PolarHBondContact NE-OE1 3.47Å; R27-E33 IonicContact NH2-OE1 3.26Å; R27-E33 PolarHBondContact NH2-OE1 2.95Å; R27-E76 PolarHBondContact NH1-O 3.02Å; R27-A79 HydrophobicContact CG-CB 4.22Å
28	P	87.8	Confident	94	Very high	119 Å²	119	45.9 Å²	45.9	77%	0.773	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	125.9	172.7	-25.5	34.7	0	0	0	111.1	Q30	P28-Q30 PolarHBondContact O-N 2.91Å
29	G	88.8	Confident	94.2	Very high	91 Å²	91	45.9 Å²	45.9	94%	0.938	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	5.9	-179.8	0	0	0	0	0	115.9	R27	R27-G29 PolarHBondContact O-N 2.91Å
30	Q	90.6	Very high	94.5	Very high	103 Å²	103	41.8 Å²	41.8	48%	0.481	24%	0.239	S	C	.	.	S	Bend	trans	-116.2	161.6	175.9	-58.7	-171.7	-2	0	0	111.8	R27 P28	R27-Q30 HydrophobicContact CB-CB 4.04Å; R27-Q30 HydrophobicContact CB-CG 4.1Å; R27-Q30 VanDerWaalsContact CD-OE1 3.28Å; R27-Q30 PolarHBondContact O-N 3Å; P28-Q30 PolarHBondContact O-N 2.91Å
31	G	90.9	Very high	94.6	Very high	55 Å²	55	48.9 Å²	48.9	57%	0.567	26%	0.263	S	S	*	.			trans	-68.2	174	173.6	0	0	0	0	0	113.1
32	L	93.4	Very high	94.6	Very high	97 Å²	97	54 Å²	54	51%	0.508	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	126.8	173.4	-64.7	174.1	0	0	0	110.3	V24 Q26 W94	V24-L32 HydrophobicContact CG1-CB 3.79Å; V24-L32 HydrophobicContact CG1-CD2 3.93Å; V24-L32 HydrophobicContact CG1-CG 4.33Å; Q26-L32 HydrophobicContact CB-CD2 3.85Å; Q26-L32 HydrophobicContact CG-CD2 3.95Å; L32-W94 HydrophobicContact CD1-CH2 3.83Å; L32-W94 HydrophobicContact CD1-CZ2 4.37Å; L32-W94 HydrophobicContact CD1-CZ3 4.42Å
33	E	95	Very high	94.5	Very high	25 Å²	25	55.3 Å²	55.3	12%	0.117	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	112.2	173.5	-63.1	-166.3	-94.4	0	0	109.2	V24 K25 R27 I35 K50 F51	V24-E33 WeakPolarHBondContact CA-O 3.47Å; K25-E33 HydrophobicContact CB-CB 4.37Å; K25-E33 PolarHBondContact N-O 3.4Å; K25-E33 PolarHBondContact O-N 2.87Å; R27-E33 IonicContact CZ-OE1 3.04Å; R27-E33 IonicContact NE-OE1 2.71Å; R27-E33 PolarHBondContact NE-OE1 3.47Å; R27-E33 IonicContact NH2-OE1 3.26Å; R27-E33 PolarHBondContact NH2-OE1 2.95Å; E33-I35 PolarHBondContact O-N 2.64Å; E33-K50 IonicContact OE2-NZ 2.93Å; E33-K50 PolarHBondContact OE2-NZ 2.82Å; E33-K50 VanDerWaalsContact OE2-NZ 3.14Å; E33-F51 HydrophobicContact CB-CE2 4.45Å; E33-F51 HydrophobicContact CB-CZ 4.44Å
34	W	95.3	Very high	94.5	Very high	69 Å²	69	57.2 Å²	57.2	26%	0.261	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	127.9	174.1	-179.5	78.4	0	0	0	110.5	N22 G36 W37 K46 N48	N22-W34 PolarHBondContact OD1-NE1 2.8Å; W34-G36 PolarHBondContact NE1-O 2.81Å; W34-W37 HydrophobicContact CZ2-CB 4.24Å; W34-W37 AromaticContact CZ2-CD1 3.42Å; W34-W37 VanDerWaalsContact CZ2-CD1 3.42Å; W34-W37 HydrophobicContact CZ2-CG 4.08Å; W34-K46 HydrophobicContact CH2-CB 4.2Å; W34-K46 HydrophobicContact CH2-CD 4.16Å; W34-K46 HydrophobicContact CH2-CG 4Å; W34-N48 HydrophobicContact CE3-CB 3.81Å; W34-N48 HydrophobicContact CZ3-CB 3.97Å; W34-N48 WeakPolarHBondContact O-CB 3Å; W34-N48 PolarHBondContact O-ND2 3.17Å
35	I	96.8	Very high	94.6	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-48.2	-177.3	-58.4	176.3	0	0	0	110.4	W23 K25 E33 N48 F51 A55 M68 Y81	W23-I35 HydrophobicContact CB-CB 4.1Å; W23-I35 HydrophobicContact CB-CD1 4.24Å; W23-I35 WeakPolarHBondContact O-CB 2.9Å; W23-I35 PolarHBondContact O-N 2.82Å; K25-I35 HydrophobicContact CB-CD1 4.01Å; K25-I35 HydrophobicContact CB-CG1 4.18Å; E33-I35 PolarHBondContact O-N 2.64Å; I35-N48 PolarHBondContact O-N 2.9Å; I35-F51 HydrophobicContact CB-CD2 4.28Å; I35-F51 HydrophobicContact CB-CG 4.26Å; I35-F51 HydrophobicContact CG1-CD1 4.22Å; I35-F51 HydrophobicContact CG1-CD2 4.28Å; I35-F51 HydrophobicContact CG1-CE1 4.08Å; I35-F51 HydrophobicContact CG1-CE2 4.13Å; I35-F51 HydrophobicContact CG1-CG 4.31Å; I35-F51 HydrophobicContact CG1-CZ 4.02Å; I35-F51 HydrophobicContact CG2-CB 3.75Å; I35-F51 HydrophobicContact CG2-CD1 4.01Å; I35-F51 HydrophobicContact CG2-CD2 4.25Å; I35-F51 HydrophobicContact CG2-CG 3.75Å; I35-A55 HydrophobicContact CG2-CB 4.03Å; I35-M68 HydrophobicContact CD1-CE 3.8Å; I35-M68 HydrophobicContact CD1-SD 3.5Å; I35-M68 WeakPolarHBondContact CD1-SD 3.44Å; I35-M68 HydrophobicContact CG2-SD 3.86Å; I35-Y81 HydrophobicContact CD1-CD1 3.8Å; I35-Y81 HydrophobicContact CD1-CE1 3.87Å
36	G	96.8	Very high	94.6	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.9	173.4	-171	0	0	0	0	0	112.2	N22 W23 W34 K46	N22-G36 CarbonylContact C-O 3.51Å; N22-G36 WeakPolarHBondContact CA-O 3.19Å; W23-G36 PolarHBondContact N-O 3.13Å; W34-G36 PolarHBondContact NE1-O 2.81Å; G36-K46 CarbonylContact C-O 3.53Å; G36-K46 WeakPolarHBondContact CA-O 3.34Å
37	W	96.8	Very high	94.7	Very high	69 Å²	69	64.7 Å²	64.7	26%	0.261	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	155.4	169.7	63.1	-115.6	0	0	0	111.2	D20 I21 N22 W34 S44 T45 K46	D20-W37 HydrophobicContact CB-CB 4.44Å; D20-W37 HydrophobicContact CB-CD2 4.4Å; D20-W37 HydrophobicContact CB-CE3 4.04Å; I21-W37 CarbonylContact O-C 3.45Å; I21-W37 WeakPolarHBondContact O-CA 3.43Å; N22-W37 HydrophobicContact CB-CB 4.46Å; N22-W37 WeakPolarHBondContact OD1-CB 3.22Å; W34-W37 HydrophobicContact CZ2-CB 4.24Å; W34-W37 AromaticContact CZ2-CD1 3.42Å; W34-W37 VanDerWaalsContact CZ2-CD1 3.42Å; W34-W37 HydrophobicContact CZ2-CG 4.08Å; W37-S44 VanDerWaalsContact CZ3-O 3.27Å; W37-S44 WeakPolarHBondContact CZ3-O 2.88Å; W37-S44 WeakPolarHBondContact CZ3-OG 3.46Å; W37-T45 VanDerWaalsContact O-CA 3.24Å; W37-T45 WeakPolarHBondContact O-CA 3.26Å; W37-K46 HydrophobicContact CD2-CB 4.05Å; W37-K46 VanDerWaalsContact CE2-CB 3.46Å; W37-K46 HydrophobicContact CG-CB 4.32Å; W37-K46 HydrophobicContact CZ2-CB 3.79Å; W37-K46 PolarHBondContact N-O 2.89Å; W37-K46 PolarHBondContact O-N 2.62Å
38	I	97.4	Very high	94.9	Very high	3 Å²	3	64.2 Å²	64.2	2%	0.015	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	133.7	169.5	-174.5	164.6	0	0	0	109.9	D20 I21 P40 S44 T45 L57 V59 A66	D20-I38 WeakPolarHBondContact CA-O 3.2Å; I21-I38 HydrophobicContact CB-CG2 4.3Å; I21-I38 PolarHBondContact N-O 2.86Å; I21-I38 PolarHBondContact O-N 3.42Å; I38-P40 WeakPolarHBondContact O-CD 3.36Å; I38-S44 CarbonylContact C-O 3.49Å; I38-S44 WeakPolarHBondContact CA-O 3.45Å; I38-T45 HydrophobicContact CB-CG2 3.99Å; I38-T45 HydrophobicContact CD1-CG2 3.91Å; I38-T45 HydrophobicContact CG1-CG2 3.78Å; I38-L57 HydrophobicContact CB-CB 4.05Å; I38-L57 HydrophobicContact CB-CD1 4.39Å; I38-L57 HydrophobicContact CD1-CB 4.24Å; I38-L57 HydrophobicContact CG2-CB 4.37Å; I38-V59 HydrophobicContact CD1-CB 3.98Å; I38-V59 HydrophobicContact CD1-CG1 3.6Å; I38-V59 HydrophobicContact CG1-CG1 4.21Å; I38-A66 HydrophobicContact CG2-CB 4.32Å
39	Y	96.6	Very high	95.2	Very high	58 Å²	58	64.8 Å²	64.8	23%	0.227	35%	0.349	C	S	.	.			trans	-95.2	110.7	174.8	-168.4	-137.6	0	0	0	110	D20 R41 D42 G43 S44	D20-Y39 HydrophobicContact CB-CD2 4.02Å; Y39-R41 HydrophobicContact CD1-CB 3.83Å; Y39-R41 HydrophobicContact CE1-CB 3.54Å; Y39-R41 HydrophobicContact CE1-CG 4.39Å; Y39-R41 HydrophobicContact CG-CB 4.47Å; Y39-R41 PolarHBondContact O-N 3.47Å; Y39-D42 PolarHBondContact O-N 2.86Å; Y39-G43 WeakPolarHBondContact O-CA 3.5Å; Y39-G43 PolarHBondContact O-N 3.26Å; Y39-S44 WeakPolarHBondContact CB-OG 2.97Å; Y39-S44 PolarHBondContact N-O 3.15Å
40	P	96.1	Very high	95.4	Very high	4 Å²	4	67.3 Å²	67.3	3%	0.026	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.4	-173.4	-29.3	40	0	0	0	115.2	F16 T17 Y19 I21 I38 V59 T61	F16-P40 HydrophobicContact CD1-CB 3.84Å; F16-P40 HydrophobicContact CD1-CG 4.2Å; F16-P40 HydrophobicContact CD2-CG 4.19Å; F16-P40 HydrophobicContact CE1-CB 3.67Å; F16-P40 HydrophobicContact CE1-CG 3.87Å; F16-P40 HydrophobicContact CE2-CG 3.86Å; F16-P40 HydrophobicContact CG-CB 4.37Å; F16-P40 HydrophobicContact CG-CG 4.38Å; F16-P40 HydrophobicContact CZ-CB 4.03Å; F16-P40 HydrophobicContact CZ-CG 3.68Å; F16-P40 WeakPolarHBondContact O-CG 3.45Å; T17-P40 HydrophobicContact CG2-CB 4.4Å; Y19-P40 WeakPolarHBondContact O-CD 3.42Å; I21-P40 HydrophobicContact CG1-CG 4.03Å; I38-P40 WeakPolarHBondContact O-CD 3.36Å; P40-V59 HydrophobicContact CB-CG2 3.82Å; P40-V59 HydrophobicContact CG-CG2 4.31Å; P40-T61 VanDerWaalsContact O-CG2 3.3Å; P40-T61 WeakPolarHBondContact O-CG2 3.18Å
41	R	95.6	Very high	95.5	Very high	187 Å²	187	62.8 Å²	62.8	71%	0.706	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-42.9	-177.5	-166.6	178.5	-176.2	-172.1	1.1	113.2	T17 Y39	T17-R41 WeakPolarHBondContact O-CB 3.44Å; Y39-R41 HydrophobicContact CD1-CB 3.83Å; Y39-R41 HydrophobicContact CE1-CB 3.54Å; Y39-R41 HydrophobicContact CE1-CG 4.39Å; Y39-R41 HydrophobicContact CG-CB 4.47Å; Y39-R41 PolarHBondContact O-N 3.47Å
42	D	95.5	Very high	95.6	Very high	107 Å²	107	66.2 Å²	66.2	57%	0.572	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129	-2.7	-172.7	57.8	20	0	0	0	113	Y39 S44	Y39-D42 PolarHBondContact O-N 2.86Å; D42-S44 PolarHBondContact O-N 2.71Å; D42-S44 WeakPolarHBondContact OD1-CB 3.45Å; D42-S44 PolarHBondContact OD1-N 3.44Å; D42-S44 PolarHBondContact OD1-OG 2.89Å
43	G	95.4	Very high	95.6	Very high	36 Å²	36	65 Å²	65	37%	0.371	32%	0.324	S	S	.	.			trans	72.8	11.7	-179	0	0	0	0	0	113.5	Y39	Y39-G43 WeakPolarHBondContact O-CA 3.5Å; Y39-G43 PolarHBondContact O-N 3.26Å
44	S	96.5	Very high	95.5	Very high	44 Å²	44	66.5 Å²	66.5	31%	0.308	33%	0.33	S	S	.	.			trans	-61.6	142.1	175.6	58	0	0	0	0	110.7	W37 I38 Y39 D42	W37-S44 VanDerWaalsContact CZ3-O 3.27Å; W37-S44 WeakPolarHBondContact CZ3-O 2.88Å; W37-S44 WeakPolarHBondContact CZ3-OG 3.46Å; I38-S44 CarbonylContact C-O 3.49Å; I38-S44 WeakPolarHBondContact CA-O 3.45Å; Y39-S44 WeakPolarHBondContact CB-OG 2.97Å; Y39-S44 PolarHBondContact N-O 3.15Å; D42-S44 PolarHBondContact O-N 2.71Å; D42-S44 WeakPolarHBondContact OD1-CB 3.45Å; D42-S44 PolarHBondContact OD1-N 3.44Å; D42-S44 PolarHBondContact OD1-OG 2.89Å
45	T	97.3	Very high	95.5	Very high	60 Å²	60	63.4 Å²	63.4	37%	0.368	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	145.4	-177.4	58.7	0	0	0	0	111.5	W37 I38 Y47 L57	W37-T45 VanDerWaalsContact O-CA 3.24Å; W37-T45 WeakPolarHBondContact O-CA 3.26Å; I38-T45 HydrophobicContact CB-CG2 3.99Å; I38-T45 HydrophobicContact CD1-CG2 3.91Å; I38-T45 HydrophobicContact CG1-CG2 3.78Å; T45-Y47 WeakPolarHBondContact OG1-CE2 3.24Å; T45-L57 HydrophobicContact CG2-CB 4.13Å
46	K	96.9	Very high	95.6	Very high	121 Å²	121	66 Å²	66	53%	0.526	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	141.1	165.5	-168.3	-178.9	179.4	177.9	0	109.2	W34 G36 W37	W34-K46 HydrophobicContact CH2-CB 4.2Å; W34-K46 HydrophobicContact CH2-CD 4.16Å; W34-K46 HydrophobicContact CH2-CG 4Å; G36-K46 CarbonylContact C-O 3.53Å; G36-K46 WeakPolarHBondContact CA-O 3.34Å; W37-K46 HydrophobicContact CD2-CB 4.05Å; W37-K46 VanDerWaalsContact CE2-CB 3.46Å; W37-K46 HydrophobicContact CG-CB 4.32Å; W37-K46 HydrophobicContact CZ2-CB 3.79Å; W37-K46 PolarHBondContact N-O 2.89Å; W37-K46 PolarHBondContact O-N 2.62Å
47	Y	97.5	Very high	95.6	Very high	53 Å²	53	66.4 Å²	66.4	21%	0.208	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	152.3	178.5	-64.4	-91.5	0	0	0	110.6	T45 A55 L57	T45-Y47 WeakPolarHBondContact OG1-CE2 3.24Å; Y47-A55 VanDerWaalsContact CE1-O 3.27Å; Y47-A55 WeakPolarHBondContact CE1-O 3.44Å; Y47-L57 HydrophobicContact CE1-CD1 4.1Å; Y47-L57 HydrophobicContact CE1-CG 3.71Å; Y47-L57 PolarHBondContact OH-N 3.48Å
48	N	95.9	Very high	95.7	Very high	47 Å²	47	65.8 Å²	65.8	25%	0.251	34%	0.341	S	S	.	.			trans	-73	136.4	155.2	-178.3	-26	0	0	0	108.4	W34 I35 K50 F51 K52	W34-N48 HydrophobicContact CE3-CB 3.81Å; W34-N48 HydrophobicContact CZ3-CB 3.97Å; W34-N48 WeakPolarHBondContact O-CB 3Å; W34-N48 PolarHBondContact O-ND2 3.17Å; I35-N48 PolarHBondContact O-N 2.9Å; N48-K50 PolarHBondContact O-N 3.24Å; N48-K50 VanDerWaalsContact O-N 3.07Å; N48-K50 PolarHBondContact OD1-N 3.06Å; N48-K50 VanDerWaalsContact OD1-N 3.17Å; N48-F51 HydrophobicContact CB-CD2 4.06Å; N48-F51 PolarHBondContact O-N 2.82Å; N48-K52 PolarHBondContact O-N 3.37Å
49	E	94.8	Very high	95.7	Very high	132 Å²	132	67.7 Å²	67.7	62%	0.617	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-55.2	-30.8	-176.8	-67.6	-59.9	144.4	0	0	112.7	F51 K52	E49-F51 PolarHBondContact O-N 2.86Å; E49-K52 PolarHBondContact O-N 3.14Å; E49-K52 IonicContact OE1-NZ 3.93Å; E49-K52 PolarHBondContact OE1-NZ 3.4Å; E49-K52 VanDerWaalsContact OE2-CD 3.26Å; E49-K52 WeakPolarHBondContact OE2-CD 2.94Å; E49-K52 IonicContact OE2-NZ 3.14Å; E49-K52 PolarHBondContact OE2-NZ 2.8Å
50	K	91.9	Very high	95.7	Very high	144 Å²	144	67.4 Å²	67.4	63%	0.626	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-61.2	-27.3	175	-69	-175	-179.9	-178.7	0	114.5	E33 N48	E33-K50 IonicContact OE2-NZ 2.93Å; E33-K50 PolarHBondContact OE2-NZ 2.82Å; E33-K50 VanDerWaalsContact OE2-NZ 3.14Å; N48-K50 PolarHBondContact O-N 3.24Å; N48-K50 VanDerWaalsContact O-N 3.07Å; N48-K50 PolarHBondContact OD1-N 3.06Å; N48-K50 VanDerWaalsContact OD1-N 3.17Å
51	F	93.8	Very high	95.6	Very high	7 Å²	7	71 Å²	71	3%	0.031	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-110.5	-3.8	-173.7	-64.2	-85.5	0	0	0	112.9	K25 E33 I35 N48 E49 G53 K54 A55	K25-F51 HydrophobicContact CD-CE1 4.09Å; K25-F51 HydrophobicContact CD-CZ 4.05Å; E33-F51 HydrophobicContact CB-CE2 4.45Å; E33-F51 HydrophobicContact CB-CZ 4.44Å; I35-F51 HydrophobicContact CB-CD2 4.28Å; I35-F51 HydrophobicContact CB-CG 4.26Å; I35-F51 HydrophobicContact CG1-CD1 4.22Å; I35-F51 HydrophobicContact CG1-CD2 4.28Å; I35-F51 HydrophobicContact CG1-CE1 4.08Å; I35-F51 HydrophobicContact CG1-CE2 4.13Å; I35-F51 HydrophobicContact CG1-CG 4.31Å; I35-F51 HydrophobicContact CG1-CZ 4.02Å; I35-F51 HydrophobicContact CG2-CB 3.75Å; I35-F51 HydrophobicContact CG2-CD1 4.01Å; I35-F51 HydrophobicContact CG2-CD2 4.25Å; I35-F51 HydrophobicContact CG2-CG 3.75Å; N48-F51 HydrophobicContact CB-CD2 4.06Å; N48-F51 PolarHBondContact O-N 2.82Å; E49-F51 PolarHBondContact O-N 2.86Å; F51-G53 PolarHBondContact O-N 2.86Å; F51-K54 PolarHBondContact O-N 2.54Å; F51-A55 HydrophobicContact CB-CB 4.5Å; F51-A55 PolarHBondContact O-N 3.3Å
52	K	93.3	Very high	95.6	Very high	127 Å²	127	67.1 Å²	67.1	55%	0.552	38%	0.378	S	S	*	.	B	Isolated β-bridge	trans	-62.1	125.9	175.9	-164.4	175.7	-171.9	173.8	0	109.6	N48 E49 K54	N48-K52 PolarHBondContact O-N 3.37Å; E49-K52 PolarHBondContact O-N 3.14Å; E49-K52 IonicContact OE1-NZ 3.93Å; E49-K52 PolarHBondContact OE1-NZ 3.4Å; E49-K52 VanDerWaalsContact OE2-CD 3.26Å; E49-K52 WeakPolarHBondContact OE2-CD 2.94Å; E49-K52 IonicContact OE2-NZ 3.14Å; E49-K52 PolarHBondContact OE2-NZ 2.8Å; K52-K54 PolarHBondContact O-N 2.79Å
53	G	91.5	Very high	95.6	Very high	73 Å²	73	63.8 Å²	63.8	75%	0.753	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	-13.5	-174.3	0	0	0	0	0	115	F51	F51-G53 PolarHBondContact O-N 2.86Å
54	K	93.7	Very high	95.6	Very high	56 Å²	56	64 Å²	64	24%	0.243	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-34.5	174.2	-166.7	172.8	-168	177	0	112.6	F51 K52 L70 H71 D77	F51-K54 PolarHBondContact O-N 2.54Å; K52-K54 PolarHBondContact O-N 2.79Å; K54-L70 WeakPolarHBondContact O-CA 3.49Å; K54-H71 PolarHBondContact O-CD2 2.88Å; K54-H71 PolarHBondContact O-N 2.85Å; K54-D77 WeakPolarHBondContact CE-OD1 3.41Å; K54-D77 WeakPolarHBondContact CE-OD2 3.24Å; K54-D77 IonicContact NZ-OD1 3.32Å; K54-D77 PolarHBondContact NZ-OD1 3.49Å; K54-D77 IonicContact NZ-OD2 3.36Å; K54-D77 PolarHBondContact NZ-OD2 3.09Å
55	A	96.1	Very high	95.6	Very high	4 Å²	4	62.3 Å²	62.3	3%	0.033	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	141.8	177.8	0	0	0	0	0	111.1	I35 Y47 F51 M68 E69 L70	I35-A55 HydrophobicContact CG2-CB 4.03Å; Y47-A55 VanDerWaalsContact CE1-O 3.27Å; Y47-A55 WeakPolarHBondContact CE1-O 3.44Å; F51-A55 HydrophobicContact CB-CB 4.5Å; F51-A55 PolarHBondContact O-N 3.3Å; A55-M68 HydrophobicContact CB-CG 4.23Å; A55-M68 HydrophobicContact CB-SD 4.29Å; A55-E69 CarbonylContact C-O 3.59Å; A55-E69 VanDerWaalsContact CA-O 3.25Å; A55-E69 WeakPolarHBondContact CA-O 3.41Å; A55-L70 HydrophobicContact CB-CD2 3.87Å
56	T	97.6	Very high	95.6	Very high	54 Å²	54	59.5 Å²	59.5	33%	0.331	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	123.7	167.2	-60	0	0	0	0	109	T58 M68 E69 H71	T56-T58 HydrophobicContact CG2-CG2 4.08Å; T56-M68 WeakPolarHBondContact O-CA 3.32Å; T56-E69 PolarHBondContact N-O 2.8Å; T56-E69 PolarHBondContact O-N 2.84Å; T56-H71 PolarHBondContact OG1-NE2 3.06Å
57	L	98.1	Very high	95.7	Very high	9 Å²	9	56.2 Å²	56.2	5%	0.047	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	131.4	174.4	-53	-175.5	0	0	0	110	W23 I38 T45 Y47 Y67 M68	W23-L57 HydrophobicContact CG-CD2 4.05Å; I38-L57 HydrophobicContact CB-CB 4.05Å; I38-L57 HydrophobicContact CB-CD1 4.39Å; I38-L57 HydrophobicContact CD1-CB 4.24Å; I38-L57 HydrophobicContact CG2-CB 4.37Å; T45-L57 HydrophobicContact CG2-CB 4.13Å; Y47-L57 HydrophobicContact CE1-CD1 4.1Å; Y47-L57 HydrophobicContact CE1-CG 3.71Å; Y47-L57 PolarHBondContact OH-N 3.48Å; L57-Y67 WeakPolarHBondContact CA-O 3.5Å; L57-M68 HydrophobicContact CD2-CB 3.73Å; L57-M68 HydrophobicContact CD2-CG 3.63Å; L57-M68 HydrophobicContact CD2-SD 4.22Å
58	T	97.7	Very high	95.7	Very high	56 Å²	56	53.7 Å²	53.7	34%	0.344	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	168	176.1	57.8	0	0	0	0	111	T56 Y67	T56-T58 HydrophobicContact CG2-CG2 4.08Å; T58-Y67 PolarHBondContact N-O 2.03Å; T58-Y67 PolarHBondContact O-N 3.36Å
59	V	97.3	Very high	95.7	Very high	42 Å²	42	54.7 Å²	54.7	26%	0.255	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	138.9	-175.6	49.8	0	0	0	0	110.6	F16 I38 P40 T61	F16-V59 HydrophobicContact CE1-CG2 3.43Å; F16-V59 VanDerWaalsContact CE1-CG2 3.43Å; F16-V59 HydrophobicContact CZ-CG2 3.77Å; I38-V59 HydrophobicContact CD1-CB 3.98Å; I38-V59 HydrophobicContact CD1-CG1 3.6Å; I38-V59 HydrophobicContact CG1-CG1 4.21Å; P40-V59 HydrophobicContact CB-CG2 3.82Å; P40-V59 HydrophobicContact CG-CG2 4.31Å; V59-T61 HydrophobicContact CG2-CG2 4.04Å
60	D	96.6	Very high	95.7	Very high	52 Å²	52	48.4 Å²	48.4	28%	0.278	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	104.6	166.1	174.7	8.2	0	0	0	108.6	S62 S63 S64 T65 Y67	D60-S62 VanDerWaalsContact C-N 3.3Å; D60-S62 PolarHBondContact O-N 2.81Å; D60-S62 WeakPolarHBondContact OD1-CB 3.49Å; D60-S62 PolarHBondContact OD1-N 2.98Å; D60-S62 PolarHBondContact OD1-OG 2.86Å; D60-S62 PolarHBondContact OD2-OG 2.82Å; D60-S63 PolarHBondContact OD1-N 2.87Å; D60-S63 VanDerWaalsContact OD2-CB 3.31Å; D60-S63 WeakPolarHBondContact OD2-CB 3.29Å; D60-S63 PolarHBondContact OD2-OG 3.22Å; D60-S64 PolarHBondContact O-N 3.44Å; D60-S64 VanDerWaalsContact O-N 3.09Å; D60-T65 PolarHBondContact N-O 3.49Å; D60-T65 PolarHBondContact O-N 2.99Å; D60-Y67 HydrophobicContact CB-CE2 3.92Å
61	T	94.9	Very high	95.8	Very high	79 Å²	79	44.3 Å²	44.3	49%	0.485	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-25.7	-179.1	52.9	0	0	0	0	112.4	T17 P40 V59 S64	T17-T61 HydrophobicContact CG2-CG2 4.07Å; P40-T61 VanDerWaalsContact O-CG2 3.3Å; P40-T61 WeakPolarHBondContact O-CG2 3.18Å; V59-T61 HydrophobicContact CG2-CG2 4.04Å; T61-S64 PolarHBondContact O-N 3.32Å
62	S	94.4	Very high	95.6	Very high	107 Å²	107	47.3 Å²	47.3	75%	0.748	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-37	179.5	75.7	0	0	0	0	112	D60	D60-S62 VanDerWaalsContact C-N 3.3Å; D60-S62 PolarHBondContact O-N 2.81Å; D60-S62 WeakPolarHBondContact OD1-CB 3.49Å; D60-S62 PolarHBondContact OD1-N 2.98Å; D60-S62 PolarHBondContact OD1-OG 2.86Å; D60-S62 PolarHBondContact OD2-OG 2.82Å
63	S	95.9	Very high	95.5	Very high	37 Å²	37	41.3 Å²	41.3	26%	0.259	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	0.6	176.7	67.7	0	0	0	0	113.7	D60 T65	D60-S63 PolarHBondContact OD1-N 2.87Å; D60-S63 VanDerWaalsContact OD2-CB 3.31Å; D60-S63 WeakPolarHBondContact OD2-CB 3.29Å; D60-S63 PolarHBondContact OD2-OG 3.22Å; S63-T65 VanDerWaalsContact C-N 3.27Å; S63-T65 PolarHBondContact O-N 3.07Å; S63-T65 PolarHBondContact O-OG1 3.23Å; S63-T65 VanDerWaalsContact O-OG1 3.13Å; S63-T65 WeakPolarHBondContact OG-CB 3.37Å; S63-T65 PolarHBondContact OG-OG1 3.32Å; S63-T65 VanDerWaalsContact OG-OG1 3.14Å
64	S	95.9	Very high	95.5	Very high	40 Å²	40	40.4 Å²	40.4	28%	0.28	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	43.3	-173.2	-61.8	0	0	0	0	113.1	A11 F16 D60 T61	A11-S64 PolarHBondContact N-O 2.96Å; F16-S64 VanDerWaalsContact CD1-CA 3.44Å; D60-S64 PolarHBondContact O-N 3.44Å; D60-S64 VanDerWaalsContact O-N 3.09Å; T61-S64 PolarHBondContact O-N 3.32Å
65	T	97.1	Very high	95.3	Very high	9 Å²	9	41.3 Å²	41.3	6%	0.055	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	127.2	-174.7	-52.1	0	0	0	0	111.2	C9 K10 D60 S63 Y67	C9-T65 WeakPolarHBondContact O-CA 3.46Å; K10-T65 HydrophobicContact CB-CG2 4.48Å; D60-T65 PolarHBondContact N-O 3.49Å; D60-T65 PolarHBondContact O-N 2.99Å; S63-T65 VanDerWaalsContact C-N 3.27Å; S63-T65 PolarHBondContact O-N 3.07Å; S63-T65 PolarHBondContact O-OG1 3.23Å; S63-T65 VanDerWaalsContact O-OG1 3.13Å; S63-T65 WeakPolarHBondContact OG-CB 3.37Å; S63-T65 PolarHBondContact OG-OG1 3.32Å; S63-T65 VanDerWaalsContact OG-OG1 3.14Å; T65-Y67 HydrophobicContact CG2-CD1 4.25Å; T65-Y67 HydrophobicContact CG2-CD2 4.41Å; T65-Y67 HydrophobicContact CG2-CE1 3.63Å; T65-Y67 HydrophobicContact CG2-CE2 3.8Å; T65-Y67 WeakPolarHBondContact CG2-OH 3.38Å
66	A	97.3	Very high	94.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	149.4	167.4	0	0	0	0	0	109.7	S8 C9 F16 I21 W23 I38	S8-A66 CarbonylContact C-O 3.55Å; S8-A66 WeakPolarHBondContact CA-O 3.2Å; C9-A66 PolarHBondContact N-O 2.78Å; C9-A66 PolarHBondContact O-N 2.92Å; F16-A66 HydrophobicContact CE2-CB 4.47Å; F16-A66 HydrophobicContact CZ-CB 4.13Å; I21-A66 HydrophobicContact CB-CB 4.06Å; I21-A66 HydrophobicContact CG1-CB 4.11Å; I21-A66 HydrophobicContact CG2-CB 3.9Å; W23-A66 HydrophobicContact CZ2-CB 4.39Å; I38-A66 HydrophobicContact CG2-CB 4.32Å
67	Y	97.8	Very high	94.6	Very high	53 Å²	53	44.8 Å²	44.8	21%	0.208	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	147	177.8	-54.8	-88.9	0	0	0	111.1	K6 L7 L57 T58 D60 T65	K6-Y67 HydrophobicContact CD-CD1 4.36Å; K6-Y67 VanDerWaalsContact CE-CD1 3.46Å; K6-Y67 VanDerWaalsContact CE-CG 3.49Å; K6-Y67 HydrophobicContact CG-CD1 4.3Å; L7-Y67 CarbonylContact O-C 3.57Å; L7-Y67 WeakPolarHBondContact O-CA 3.22Å; L7-Y67 WeakPolarHBondContact O-CB 3.25Å; L57-Y67 WeakPolarHBondContact CA-O 3.5Å; T58-Y67 PolarHBondContact N-O 2.03Å; T58-Y67 PolarHBondContact O-N 3.36Å; D60-Y67 HydrophobicContact CB-CE2 3.92Å; T65-Y67 HydrophobicContact CG2-CD1 4.25Å; T65-Y67 HydrophobicContact CG2-CD2 4.41Å; T65-Y67 HydrophobicContact CG2-CE1 3.63Å; T65-Y67 HydrophobicContact CG2-CE2 3.8Å; T65-Y67 WeakPolarHBondContact CG2-OH 3.38Å
68	M	97.6	Very high	94.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	124.3	166	178.5	179.4	74.2	0	0	108.6	K6 L7 W23 I35 A55 T56 L57 L70 Y81	K6-M68 WeakPolarHBondContact CA-O 3.21Å; L7-M68 HydrophobicContact CD1-CE 3.6Å; L7-M68 PolarHBondContact N-O 2.96Å; L7-M68 PolarHBondContact O-N 2.78Å; W23-M68 HydrophobicContact CB-SD 4.02Å; W23-M68 HydrophobicContact CD2-CB 3.65Å; W23-M68 HydrophobicContact CD2-SD 4.25Å; W23-M68 HydrophobicContact CE3-CB 3.89Å; W23-M68 HydrophobicContact CE3-CE 4.16Å; W23-M68 HydrophobicContact CE3-SD 4.3Å; W23-M68 HydrophobicContact CG-CB 4.15Å; W23-M68 HydrophobicContact CG-SD 4.16Å; W23-M68 HydrophobicContact CH2-CB 4.13Å; W23-M68 HydrophobicContact CZ2-CB 3.91Å; W23-M68 HydrophobicContact CZ3-CB 4.12Å; I35-M68 HydrophobicContact CD1-CE 3.8Å; I35-M68 HydrophobicContact CD1-SD 3.5Å; I35-M68 WeakPolarHBondContact CD1-SD 3.44Å; I35-M68 HydrophobicContact CG2-SD 3.86Å; A55-M68 HydrophobicContact CB-CG 4.23Å; A55-M68 HydrophobicContact CB-SD 4.29Å; T56-M68 WeakPolarHBondContact O-CA 3.32Å; L57-M68 HydrophobicContact CD2-CB 3.73Å; L57-M68 HydrophobicContact CD2-CG 3.63Å; L57-M68 HydrophobicContact CD2-SD 4.22Å; M68-L70 HydrophobicContact CE-CD1 3.79Å; M68-L70 HydrophobicContact CE-CD2 4.07Å; M68-L70 HydrophobicContact CE-CG 3.85Å; M68-L70 HydrophobicContact SD-CD2 4.19Å; M68-L70 HydrophobicContact SD-CG 4.44Å; M68-Y81 HydrophobicContact CE-CD1 3.44Å; M68-Y81 VanDerWaalsContact CE-CD1 3.44Å; M68-Y81 HydrophobicContact CE-CE1 3.83Å; M68-Y81 HydrophobicContact CE-CG 4.2Å
69	E	96.9	Very high	94.2	Very high	68 Å²	68	43.4 Å²	43.4	32%	0.318	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	122.6	171.5	-172.6	171.5	-165.8	0	0	109.5	V5 A55 T56 H71	V5-E69 CarbonylContact O-C 3.59Å; V5-E69 VanDerWaalsContact O-CA 3.29Å; V5-E69 WeakPolarHBondContact O-CA 3.4Å; A55-E69 CarbonylContact C-O 3.59Å; A55-E69 VanDerWaalsContact CA-O 3.25Å; A55-E69 WeakPolarHBondContact CA-O 3.41Å; T56-E69 PolarHBondContact N-O 2.8Å; T56-E69 PolarHBondContact O-N 2.84Å; E69-H71 IonicContact OE2-CE1 3.39Å
70	L	94.8	Very high	94.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	124.6	173.8	-65.5	164.4	0	0	0	109.2	S4 V5 K54 A55 M68 Y81	S4-L70 VanDerWaalsContact CA-O 3.24Å; S4-L70 WeakPolarHBondContact CA-O 3.25Å; S4-L70 WeakPolarHBondContact CB-O 3.5Å; V5-L70 HydrophobicContact CG1-CB 3.78Å; V5-L70 HydrophobicContact CG1-CD1 4.05Å; V5-L70 HydrophobicContact CG1-CG 4.4Å; V5-L70 PolarHBondContact N-O 3Å; V5-L70 PolarHBondContact O-N 3.3Å; K54-L70 WeakPolarHBondContact O-CA 3.49Å; A55-L70 HydrophobicContact CB-CD2 3.87Å; M68-L70 HydrophobicContact CE-CD1 3.79Å; M68-L70 HydrophobicContact CE-CD2 4.07Å; M68-L70 HydrophobicContact CE-CG 3.85Å; M68-L70 HydrophobicContact SD-CD2 4.19Å; M68-L70 HydrophobicContact SD-CG 4.44Å; L70-Y81 HydrophobicContact CD1-CD1 4.39Å; L70-Y81 HydrophobicContact CD1-CE1 3.65Å; L70-Y81 HydrophobicContact CD1-CE2 4.24Å
71	H	93.9	Very high	94.1	Very high	58 Å²	58	41 Å²	41	27%	0.269	24%	0.242	S	C	.	.	S	Bend	trans	-90.4	133.1	-178.1	-60.2	-62.9	0	0	0	111.1	S4 K54 T56 E69	S4-H71 PolarHBondContact OG-ND1 3.48Å; K54-H71 PolarHBondContact O-CD2 2.88Å; K54-H71 PolarHBondContact O-N 2.85Å; T56-H71 PolarHBondContact OG1-NE2 3.06Å; E69-H71 IonicContact OE2-CE1 3.39Å
72	S	90.3	Very high	94.2	Very high	69 Å²	69	38.7 Å²	38.7	48%	0.483	23%	0.226	S	C	.	.	S	Bend	trans	47.5	50.7	174.3	-62.6	0	0	0	0	114	G2	G2-S72 WeakPolarHBondContact O-CA 3.24Å
73	P	90.6	Very high	94.2	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.013	20%	0.196	C	C	.	.			trans	-63	147.4	-172.5	31.2	-38.1	0	0	0	111.1	G2 A3 V5 D77 V102	G2-P73 PolarHBondContact N-O 2.85Å; A3-P73 WeakPolarHBondContact O-CD 3.26Å; V5-P73 HydrophobicContact CG1-CG 4.35Å; P73-D77 WeakPolarHBondContact CA-OD2 3.27Å; P73-D77 HydrophobicContact CB-CB 4.06Å; P73-V102 HydrophobicContact CB-CG2 3.99Å; P73-V102 HydrophobicContact CG-CG2 4.19Å
74	T	91.1	Very high	94.2	Very high	53 Å²	53	32.9 Å²	32.9	33%	0.325	19%	0.185	S	C	.	.			trans	-111.1	173.9	178.4	66.8	0	0	0	0	110.6	E76 D77 V102	T74-E76 PolarHBondContact O-N 2.96Å; T74-E76 VanDerWaalsContact O-N 3.15Å; T74-D77 PolarHBondContact N-OD2 2.87Å; T74-D77 WeakPolarHBondContact O-CA 3.27Å; T74-D77 WeakPolarHBondContact O-CB 3.49Å; T74-D77 PolarHBondContact O-N 3.02Å; T74-D77 PolarHBondContact OG1-OD2 2.87Å; T74-V102 WeakPolarHBondContact O-CB 3.37Å
75	S	89.1	Confident	93.9	Very high	75 Å²	75	32.3 Å²	32.3	52%	0.524	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-56	-30.7	176.7	52.6	0	0	0	0	112.9	D77 S78	S75-D77 PolarHBondContact O-N 2.85Å; S75-S78 VanDerWaalsContact O-CB 3.22Å; S75-S78 WeakPolarHBondContact O-CB 3.22Å; S75-S78 PolarHBondContact O-N 2.83Å; S75-S78 VanDerWaalsContact O-N 3.07Å; S75-S78 PolarHBondContact O-OG 3.39Å
76	E	87.6	Confident	93.1	Very high	129 Å²	129	32.9 Å²	32.9	60%	0.603	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	-67.2	-16.3	174.6	-60.6	-175.1	174.7	0	0	113.9	K25 R27 T74 S78	K25-E76 PolarHBondContact NZ-O 2.87Å; R27-E76 PolarHBondContact NH1-O 3.02Å; T74-E76 PolarHBondContact O-N 2.96Å; T74-E76 VanDerWaalsContact O-N 3.15Å; E76-S78 VanDerWaalsContact C-N 3.29Å
77	D	90.9	Very high	92	Very high	3 Å²	3	35 Å²	35	2%	0.016	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-85.1	-2.9	173.1	-59.6	-49.9	0	0	0	113.8	K25 K54 P73 T74 S75 A79 Y81	K25-D77 IonicContact NZ-OD1 2.62Å; K25-D77 PolarHBondContact NZ-OD1 2.9Å; K54-D77 WeakPolarHBondContact CE-OD1 3.41Å; K54-D77 WeakPolarHBondContact CE-OD2 3.24Å; K54-D77 IonicContact NZ-OD1 3.32Å; K54-D77 PolarHBondContact NZ-OD1 3.49Å; K54-D77 IonicContact NZ-OD2 3.36Å; K54-D77 PolarHBondContact NZ-OD2 3.09Å; P73-D77 WeakPolarHBondContact CA-OD2 3.27Å; P73-D77 HydrophobicContact CB-CB 4.06Å; T74-D77 PolarHBondContact N-OD2 2.87Å; T74-D77 WeakPolarHBondContact O-CA 3.27Å; T74-D77 WeakPolarHBondContact O-CB 3.49Å; T74-D77 PolarHBondContact O-N 3.02Å; T74-D77 PolarHBondContact OG1-OD2 2.87Å; S75-D77 PolarHBondContact O-N 2.85Å; D77-A79 PolarHBondContact O-N 2.97Å; D77-A79 VanDerWaalsContact O-N 3.13Å; D77-Y81 WeakPolarHBondContact O-CE2 3.48Å; D77-Y81 PolarHBondContact O-OH 3.05Å
78	S	93	Very high	90.8	Very high	31 Å²	31	36 Å²	36	22%	0.217	22%	0.222	C	C	.	.			trans	-65.1	113.7	172.5	-56.2	0	0	0	0	110.1	S75 E76 H100 V102	S75-S78 VanDerWaalsContact O-CB 3.22Å; S75-S78 WeakPolarHBondContact O-CB 3.22Å; S75-S78 PolarHBondContact O-N 2.83Å; S75-S78 VanDerWaalsContact O-N 3.07Å; S75-S78 PolarHBondContact O-OG 3.39Å; E76-S78 VanDerWaalsContact C-N 3.29Å; S78-H100 CarbonylContact C-O 3.57Å; S78-H100 VanDerWaalsContact CA-O 3.25Å; S78-H100 WeakPolarHBondContact CA-O 3.3Å; S78-V102 PolarHBondContact OG-N 2.6Å; S78-V102 PolarHBondContact OG-O 3.34Å
79	A	94.8	Very high	89.6	Confident	5 Å²	5	43.8 Å²	43.8	4%	0.041	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	168.2	-170.8	0	0	0	0	0	111.2	K25 Q26 R27 D77 Y81 H100	K25-A79 HydrophobicContact CD-CB 4.03Å; K25-A79 VanDerWaalsContact CE-CB 3.48Å; K25-A79 HydrophobicContact CG-CB 3.38Å; Q26-A79 WeakPolarHBondContact O-CA 3.49Å; Q26-A79 VanDerWaalsContact O-CB 3.26Å; Q26-A79 WeakPolarHBondContact O-CB 3.19Å; R27-A79 HydrophobicContact CG-CB 4.22Å; D77-A79 PolarHBondContact O-N 2.97Å; D77-A79 VanDerWaalsContact O-N 3.13Å; A79-Y81 HydrophobicContact CB-CD2 4.37Å; A79-Y81 HydrophobicContact CB-CE2 3.82Å; A79-H100 PolarHBondContact N-O 2.97Å; A79-H100 PolarHBondContact O-N 3.49Å
80	V	96	Very high	88.2	Confident	39 Å²	39	47.2 Å²	47.2	24%	0.236	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	129	161.4	-169.3	0	0	0	0	108.3	Q26 F82	Q26-V80 PolarHBondContact N-O 2.79Å; Q26-V80 PolarHBondContact O-N 3.13Å; V80-F82 HydrophobicContact CB-CE2 3.77Å; V80-F82 HydrophobicContact CB-CZ 3.9Å; V80-F82 HydrophobicContact CG1-CD2 4.29Å; V80-F82 HydrophobicContact CG1-CE1 3.84Å; V80-F82 HydrophobicContact CG1-CE2 3.57Å; V80-F82 HydrophobicContact CG1-CZ 3.31Å
81	Y	96.8	Very high	87.2	Confident	3 Å²	3	50.8 Å²	50.8	1%	0.012	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	127.7	178.7	-69.9	-89.5	0	0	0	109.9	L7 V24 K25 I35 M68 L70 D77 A79 G97 T98 H100	L7-Y81 VanDerWaalsContact CD1-CB 3.46Å; L7-Y81 HydrophobicContact CD1-CD1 4.12Å; L7-Y81 HydrophobicContact CD1-CD2 3.98Å; L7-Y81 HydrophobicContact CD1-CG 3.58Å; V24-Y81 CarbonylContact O-C 3.55Å; V24-Y81 WeakPolarHBondContact O-CA 3.13Å; K25-Y81 HydrophobicContact CB-CD1 4.16Å; K25-Y81 HydrophobicContact CB-CE1 3.92Å; K25-Y81 HydrophobicContact CD-CE1 3.96Å; K25-Y81 WeakPolarHBondContact CE-OH 3.45Å; K25-Y81 HydrophobicContact CG-CD1 4.29Å; K25-Y81 HydrophobicContact CG-CE1 3.74Å; I35-Y81 HydrophobicContact CD1-CD1 3.8Å; I35-Y81 HydrophobicContact CD1-CE1 3.87Å; M68-Y81 HydrophobicContact CE-CD1 3.44Å; M68-Y81 VanDerWaalsContact CE-CD1 3.44Å; M68-Y81 HydrophobicContact CE-CE1 3.83Å; M68-Y81 HydrophobicContact CE-CG 4.2Å; L70-Y81 HydrophobicContact CD1-CD1 4.39Å; L70-Y81 HydrophobicContact CD1-CE1 3.65Å; L70-Y81 HydrophobicContact CD1-CE2 4.24Å; D77-Y81 WeakPolarHBondContact O-CE2 3.48Å; D77-Y81 PolarHBondContact O-OH 3.05Å; A79-Y81 HydrophobicContact CB-CD2 4.37Å; A79-Y81 HydrophobicContact CB-CE2 3.82Å; Y81-G97 CarbonylContact O-C 3.4Å; Y81-G97 VanDerWaalsContact O-CA 3.22Å; Y81-G97 WeakPolarHBondContact O-CA 3.31Å; Y81-T98 PolarHBondContact N-O 2.82Å; Y81-T98 PolarHBondContact O-N 3.48Å; Y81-H100 HydrophobicContact CD2-CB 4.01Å; Y81-H100 HydrophobicContact CE2-CB 3.9Å
82	F	96.3	Very high	86.3	Confident	32 Å²	32	51.8 Å²	51.8	14%	0.14	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	145.5	-179.8	-56.7	-88.7	0	0	0	110	W23 V24 Q26 V80 W94	W23-F82 WeakPolarHBondContact CA-O 3.39Å; V24-F82 PolarHBondContact N-O 2.84Å; V24-F82 PolarHBondContact O-N 2.81Å; Q26-F82 HydrophobicContact CB-CD2 4.47Å; Q26-F82 HydrophobicContact CB-CE2 3.79Å; V80-F82 HydrophobicContact CB-CE2 3.77Å; V80-F82 HydrophobicContact CB-CZ 3.9Å; V80-F82 HydrophobicContact CG1-CD2 4.29Å; V80-F82 HydrophobicContact CG1-CE1 3.84Å; V80-F82 HydrophobicContact CG1-CE2 3.57Å; V80-F82 HydrophobicContact CG1-CZ 3.31Å; F82-W94 HydrophobicContact CB-CE3 3.69Å; F82-W94 HydrophobicContact CB-CZ3 3.86Å; F82-W94 HydrophobicContact CD1-CE3 4.42Å; F82-W94 HydrophobicContact CG-CE3 4.07Å; F82-W94 HydrophobicContact CG-CZ3 4.27Å
83	C	95.2	Very high	85.9	Confident	18 Å²	18	55.3 Å²	55.3	12%	0.122	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	145.1	156	61.8	0	0	0	0	109.5	C9 I21 N22 W23 G95	C9-C83 HydrophobicContact CB-CB 3.43Å; C9-C83 VanDerWaalsContact CB-CB 3.43Å; C9-C83 WeakPolarHBondContact CB-SG 3.4Å; C9-C83 WeakPolarHBondContact SG-CB 3.44Å; C9-C83 CovalentContact SG-SG 2.03Å; C9-C83 PolarHBondContact SG-SG 3.41Å; I21-C83 HydrophobicContact CG2-CB 4.06Å; N22-C83 CarbonylContact O-C 3.57Å; N22-C83 WeakPolarHBondContact O-CA 3.3Å; W23-C83 HydrophobicContact CE3-CB 4.36Å; W23-C83 HydrophobicContact CH2-CB 4.49Å; W23-C83 HydrophobicContact CZ3-CB 4.35Å; C83-G95 PolarHBondContact O-N 2.95Å
84	A	94.4	Very high	85.8	Confident	3 Å²	3	59.9 Å²	59.9	3%	0.025	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	147.4	178.6	0	0	0	0	0	110.6	N22 F91 Y93 W94	N22-A84 HydrophobicContact CB-CB 4.42Å; N22-A84 WeakPolarHBondContact CB-O 3.39Å; N22-A84 PolarHBondContact N-O 2.91Å; N22-A84 PolarHBondContact O-N 2.85Å; A84-F91 HydrophobicContact CB-CB 4.24Å; A84-F91 HydrophobicContact CB-CD1 3.81Å; A84-F91 HydrophobicContact CB-CE1 4.4Å; A84-F91 HydrophobicContact CB-CG 4.03Å; A84-Y93 CarbonylContact C-O 3.5Å; A84-Y93 WeakPolarHBondContact CA-O 3.2Å; A84-W94 HydrophobicContact CB-CD2 3.85Å; A84-W94 HydrophobicContact CB-CE3 3.96Å; A84-W94 HydrophobicContact CB-CG 4.35Å; A84-W94 HydrophobicContact CB-CH2 4.32Å; A84-W94 HydrophobicContact CB-CZ2 4.23Å; A84-W94 HydrophobicContact CB-CZ3 4.2Å
85	R	90.5	Very high	85.7	Confident	28 Å²	28	58.7 Å²	58.7	11%	0.106	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	127.7	172.6	-168.8	-167.6	78.2	-166.8	7	108.3	Y14 Y19 D92 Y93	Y14-R85 HydrophobicContact CE2-CG 4.49Å; Y14-R85 VanDerWaalsContact CG-NH1 3.28Å; Y19-R85 HydrophobicContact CD1-CG 4.33Å; Y19-R85 HydrophobicContact CG-CG 4.02Å; R85-D92 PolarHBondContact O-N 3.37Å; R85-D92 VanDerWaalsContact O-N 3.14Å; R85-Y93 VanDerWaalsContact CZ-CD2 3.42Å; R85-Y93 PolarHBondContact N-O 3.13Å; R85-Y93 PolarHBondContact O-N 3.14Å
86	P	81.3	Confident	85.8	Confident	21 Å²	21	64.3 Å²	64.3	14%	0.136	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	156.9	173.6	30.1	-28.4	0	0	0	110.9	D20 H90 F91	D20-P86 WeakPolarHBondContact O-CD 3Å; D20-P86 WeakPolarHBondContact OD1-CD 3.45Å; D20-P86 WeakPolarHBondContact OD1-CG 3.43Å; P86-H90 CarbonylContact C-O 3.48Å; P86-H90 WeakPolarHBondContact CA-O 3.33Å; P86-F91 HydrophobicContact CB-CD1 4.09Å; P86-F91 HydrophobicContact CB-CE1 4.19Å
87	S	73.9	Confident	86	Confident	45 Å²	45	59.4 Å²	59.4	32%	0.315	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	121	156.7	141.8	0	0	0	0	109.3	N89 H90 D92	S87-N89 PolarHBondContact O-N 2.65Å; S87-H90 PolarHBondContact N-O 3.37Å; S87-H90 PolarHBondContact O-N 2.9Å; S87-D92 WeakPolarHBondContact CB-OD2 3.4Å; S87-D92 PolarHBondContact OG-OD2 3.09Å
88	G	71.6	Confident	86.1	Confident	73 Å²	73	62.9 Å²	62.9	75%	0.753	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	-127.3	-164.1	0	0	0	0	0	112
89	N	71.8	Confident	86.1	Confident	165 Å²	165	66.1 Å²	66.1	88%	0.882	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	3.3	-178.4	-65	-28.4	0	0	0	113.9	S87	S87-N89 PolarHBondContact O-N 2.65Å
90	H	69.1	Low	85.9	Confident	139 Å²	139	67.8 Å²	67.8	64%	0.644	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.9	163.7	-175.5	-59.7	95.4	0	0	0	111.9	P86 S87	P86-H90 CarbonylContact C-O 3.48Å; P86-H90 WeakPolarHBondContact CA-O 3.33Å; S87-H90 PolarHBondContact N-O 3.37Å; S87-H90 PolarHBondContact O-N 2.9Å
91	F	73.4	Confident	85.5	Confident	76 Å²	76	70.9 Å²	70.9	33%	0.333	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	101.8	168.6	-68	-58.4	0	0	0	109.9	N22 A84 P86 W94	N22-F91 HydrophobicContact CB-CD1 4.45Å; N22-F91 HydrophobicContact CB-CE1 3.58Å; N22-F91 HydrophobicContact CB-CZ 3.96Å; A84-F91 HydrophobicContact CB-CB 4.24Å; A84-F91 HydrophobicContact CB-CD1 3.81Å; A84-F91 HydrophobicContact CB-CE1 4.4Å; A84-F91 HydrophobicContact CB-CG 4.03Å; P86-F91 HydrophobicContact CB-CD1 4.09Å; P86-F91 HydrophobicContact CB-CE1 4.19Å; F91-W94 HydrophobicContact CB-CZ2 3.78Å; F91-W94 HydrophobicContact CD2-CH2 4.3Å; F91-W94 AromaticContact CD2-CZ2 3.66Å; F91-W94 HydrophobicContact CD2-CZ2 3.66Å; F91-W94 AromaticContact CG-CZ2 3.94Å; F91-W94 HydrophobicContact CG-CZ2 3.94Å; F91-W94 PolarHBondContact O-NE1 3.38Å
92	D	73.6	Confident	84.9	Confident	79 Å²	79	71.8 Å²	71.8	42%	0.422	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-24.7	-174.8	-76.2	14.7	0	0	0	112.9	R85 S87	R85-D92 PolarHBondContact O-N 3.37Å; R85-D92 VanDerWaalsContact O-N 3.14Å; S87-D92 WeakPolarHBondContact CB-OD2 3.4Å; S87-D92 PolarHBondContact OG-OD2 3.09Å
93	Y	81.9	Confident	84.2	Confident	142 Å²	142	75.4 Å²	75.4	56%	0.557	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.8	132.2	-179.3	-67.5	-93.6	0	0	0	111.1	A84 R85	A84-Y93 CarbonylContact C-O 3.5Å; A84-Y93 WeakPolarHBondContact CA-O 3.2Å; R85-Y93 VanDerWaalsContact CZ-CD2 3.42Å; R85-Y93 PolarHBondContact N-O 3.13Å; R85-Y93 PolarHBondContact O-N 3.14Å
94	W	90.1	Very high	83	Confident	99 Å²	99	83 Å²	83	38%	0.375	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	136.8	175.7	-69.1	76.5	0	0	0	109.6	V24 L32 F82 A84 F91	V24-W94 HydrophobicContact CB-CH2 4.13Å; V24-W94 HydrophobicContact CB-CZ3 3.82Å; V24-W94 HydrophobicContact CG1-CH2 4.06Å; V24-W94 HydrophobicContact CG1-CZ3 4Å; V24-W94 HydrophobicContact CG2-CH2 3.81Å; V24-W94 HydrophobicContact CG2-CZ3 3.88Å; L32-W94 HydrophobicContact CD1-CH2 3.83Å; L32-W94 HydrophobicContact CD1-CZ2 4.37Å; L32-W94 HydrophobicContact CD1-CZ3 4.42Å; F82-W94 HydrophobicContact CB-CE3 3.69Å; F82-W94 HydrophobicContact CB-CZ3 3.86Å; F82-W94 HydrophobicContact CD1-CE3 4.42Å; F82-W94 HydrophobicContact CG-CE3 4.07Å; F82-W94 HydrophobicContact CG-CZ3 4.27Å; A84-W94 HydrophobicContact CB-CD2 3.85Å; A84-W94 HydrophobicContact CB-CE3 3.96Å; A84-W94 HydrophobicContact CB-CG 4.35Å; A84-W94 HydrophobicContact CB-CH2 4.32Å; A84-W94 HydrophobicContact CB-CZ2 4.23Å; A84-W94 HydrophobicContact CB-CZ3 4.2Å; F91-W94 HydrophobicContact CB-CZ2 3.78Å; F91-W94 HydrophobicContact CD2-CH2 4.3Å; F91-W94 AromaticContact CD2-CZ2 3.66Å; F91-W94 HydrophobicContact CD2-CZ2 3.66Å; F91-W94 AromaticContact CG-CZ2 3.94Å; F91-W94 HydrophobicContact CG-CZ2 3.94Å; F91-W94 PolarHBondContact O-NE1 3.38Å
95	G	89	Confident	82.4	Confident	28 Å²	28	87.1 Å²	87.1	29%	0.289	50%	0.501	S	S	.	.			trans	-64.5	162.1	164.2	0	0	0	0	0	110.7	C83 G97	C83-G95 PolarHBondContact O-N 2.95Å; G95-G97 PolarHBondContact O-N 2.6Å
96	Q	90.8	Very high	82	Confident	192 Å²	192	90.2 Å²	90.2	90%	0.897	52%	0.521	S	S	*	.			trans	-62.4	-16.3	179.8	-66.2	-63.8	-52.8	0	0	113.7
97	G	91.4	Very high	82.1	Confident	26 Å²	26	94 Å²	94	27%	0.268	54%	0.543	S	S	.	.			trans	83.1	150.4	-176.1	0	0	0	0	0	112.4	Y81 G95	Y81-G97 CarbonylContact O-C 3.4Å; Y81-G97 VanDerWaalsContact O-CA 3.22Å; Y81-G97 WeakPolarHBondContact O-CA 3.31Å; G95-G97 PolarHBondContact O-N 2.6Å
98	T	93.8	Very high	82.5	Confident	76 Å²	76	96.9 Å²	96.9	47%	0.466	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.5	123.1	175.9	-59.8	0	0	0	0	109.1	L7 Y81 H100	L7-T98 HydrophobicContact CD2-CG2 4.24Å; Y81-T98 PolarHBondContact N-O 2.82Å; Y81-T98 PolarHBondContact O-N 3.48Å; T98-H100 PolarHBondContact O-N 3.4Å
99	T	93	Very high	83.2	Confident	99 Å²	99	98.4 Å²	98.4	61%	0.607	54%	0.544	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.9	123.3	173.3	-53.9	0	0	0	0	109.5
100	H	89.1	Confident	84	Confident	41 Å²	41	93.9 Å²	93.9	19%	0.19	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	129	167.5	-171.5	64.6	0	0	0	108.8	S78 A79 Y81 T98	S78-H100 CarbonylContact C-O 3.57Å; S78-H100 VanDerWaalsContact CA-O 3.25Å; S78-H100 WeakPolarHBondContact CA-O 3.3Å; A79-H100 PolarHBondContact N-O 2.97Å; A79-H100 PolarHBondContact O-N 3.49Å; Y81-H100 HydrophobicContact CD2-CB 4.01Å; Y81-H100 HydrophobicContact CE2-CB 3.9Å; T98-H100 PolarHBondContact O-N 3.4Å
101	T	88.9	Confident	85.1	Confident	103 Å²	103	90.7 Å²	90.7	63%	0.632	51%	0.513	S	S	*	.			trans	-122.4	129.4	179.8	-57.1	0	0	0	0	108.9
102	V	84.8	Confident	86	Confident	22 Å²	22	91.8 Å²	91.8	13%	0.133	53%	0.526	C	S	.	.			trans	-114.7	112.4	176.1	-175.6	0	0	0	0	108	P73 T74 S78	P73-V102 HydrophobicContact CB-CG2 3.99Å; P73-V102 HydrophobicContact CG-CG2 4.19Å; T74-V102 WeakPolarHBondContact O-CB 3.37Å; S78-V102 PolarHBondContact OG-N 2.6Å; S78-V102 PolarHBondContact OG-O 3.34Å
103	S	81	Confident	87	Confident	108 Å²	108	92.9 Å²	92.9	76%	0.755	54%	0.535	S	S	*	.			trans	-86.5	147.4	171.7	54.1	0	0	0	0	110.8
104	S	70	Confident	87.4	Confident	179 Å²	179	88.5 Å²	88.5	100%	1.252	53%	0.533	S	S	*	.			trans	-74	0	173.9	53.6	0	0	0	0	113

Retrieved 104 of 104 residues in 30.6 ms (Link to these results)

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