X5J4Q8_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4Q8, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 95 aa.

						>X5J4Q8_MOUSE|X5J4Q8
AELVRPGSSVKLSCKASGYTFTSYWMDWVKQRPGQGLEWIGNIYPSDSETHYNQKFKDKATLTVDKSSSTAYMQLSSLTSEDSAVYYCARKMHWG
					

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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	A	68.6	Low	88.2	Confident	156 Å²	156	102.9 Å²	102.9	100%	1.289	60%	0.598	S	S	*	*				0	134.1	0	0	0	0	0	0	107.5
2	E	78.3	Confident	89	Confident	122 Å²	122	97.7 Å²	97.7	57%	0.57	57%	0.566	S	S	*	*			trans	-108	125.8	-179.5	-162.4	176.9	163.3	0	0	108.7	V4 V10	E2-V4 HydrophobicContact CG-CG1 4Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.35Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.33Å
3	L	84.8	Confident	89.7	Confident	178 Å²	178	96.5 Å²	96.5	93%	0.932	57%	0.567	S	S	*	*			trans	-102.5	116.3	176	-70	172.2	0	0	0	108.1
4	V	87.4	Confident	90.3	Very high	61 Å²	61	90.6 Å²	90.6	37%	0.37	53%	0.533	S	S	.	.			trans	-123	148.3	-174.4	-72.5	0	0	0	0	110.3	E2 V10 L78	E2-V4 HydrophobicContact CG-CG1 4Å; V4-V10 HydrophobicContact CG1-CB 4.32Å; V4-V10 HydrophobicContact CG1-CG2 4.37Å; V4-L78 HydrophobicContact CB-CD1 4.15Å; V4-L78 HydrophobicContact CG2-CD1 3.41Å; V4-L78 VanDerWaalsContact CG2-CD1 3.41Å
5	R	88.3	Confident	90.7	Very high	211 Å²	211	94.9 Å²	94.9	80%	0.796	54%	0.542	S	S	*	.			trans	-73.3	144.6	-179.9	-65.1	-178.9	-178.2	177.4	0.3	110	S8	R5-S8 PolarHBondContact N-OG 3.03Å; R5-S8 VanDerWaalsContact O-CB 3.28Å; R5-S8 WeakPolarHBondContact O-CB 3.36Å; R5-S8 PolarHBondContact O-N 3.27Å; R5-S8 VanDerWaalsContact O-N 3.13Å; R5-S8 PolarHBondContact O-OG 3.27Å
6	P	89.6	Confident	91.1	Very high	115 Å²	115	89.6 Å²	89.6	75%	0.747	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	143.6	169	-25.2	34.4	0	0	0	111.6	S8 L78	P6-S8 PolarHBondContact O-N 2.91Å; P6-L78 CarbonylContact C-O 3.56Å; P6-L78 WeakPolarHBondContact CA-O 3.45Å
7	G	91.1	Very high	91.3	Very high	55 Å²	55	90.4 Å²	90.4	57%	0.567	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	-11	-176.6	0	0	0	0	0	115.1	L78	G7-L78 PolarHBondContact N-O 3.04Å
8	S	94.3	Very high	91.5	Very high	38 Å²	38	90.2 Å²	90.2	27%	0.266	55%	0.547	S	S	.	.			trans	-78	177.2	174.9	73.5	0	0	0	0	112	R5 P6 S77 L78	R5-S8 PolarHBondContact N-OG 3.03Å; R5-S8 VanDerWaalsContact O-CB 3.28Å; R5-S8 WeakPolarHBondContact O-CB 3.36Å; R5-S8 PolarHBondContact O-N 3.27Å; R5-S8 VanDerWaalsContact O-N 3.13Å; R5-S8 PolarHBondContact O-OG 3.27Å; P6-S8 PolarHBondContact O-N 2.91Å; S8-S77 PolarHBondContact O-N 3.34Å; S8-L78 WeakPolarHBondContact O-CB 3.27Å; S8-L78 VanDerWaalsContact O-CG 3.32Å; S8-L78 WeakPolarHBondContact O-CG 3.48Å; S8-L78 PolarHBondContact O-N 3.42Å
9	S	95.6	Very high	91.5	Very high	62 Å²	62	88.5 Å²	88.5	43%	0.434	53%	0.53	S	S	.	.			trans	-117.6	149.4	174.7	-54.8	0	0	0	0	110.1	L75 S76	S9-L75 CarbonylContact C-O 3.54Å; S9-L75 WeakPolarHBondContact CA-O 3.37Å; S9-L75 WeakPolarHBondContact CB-O 3.12Å; S9-S76 WeakPolarHBondContact OG-CA 3.46Å
10	V	95.9	Very high	91.7	Very high	14 Å²	14	88.5 Å²	88.5	9%	0.085	53%	0.53	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	145	174.4	67.2	0	0	0	0	110	E2 V4 L12 Q74 L75 L78	E2-V10 WeakPolarHBondContact OE1-CG2 3.35Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.33Å; V4-V10 HydrophobicContact CG1-CB 4.32Å; V4-V10 HydrophobicContact CG1-CG2 4.37Å; V10-L12 HydrophobicContact CG2-CD2 4.3Å; V10-Q74 CarbonylContact O-C 3.59Å; V10-Q74 VanDerWaalsContact O-CA 3.3Å; V10-Q74 WeakPolarHBondContact O-CA 3.45Å; V10-L75 HydrophobicContact CG1-CB 4.03Å; V10-L75 HydrophobicContact CG1-CD1 4.4Å; V10-L75 PolarHBondContact N-O 2.8Å; V10-L75 PolarHBondContact O-N 3.03Å; V10-L78 HydrophobicContact CB-CD1 4.02Å; V10-L78 HydrophobicContact CG1-CD1 3.79Å; V10-L78 HydrophobicContact CG1-CD2 4.34Å
11	K	96.9	Very high	91.8	Very high	120 Å²	120	84.6 Å²	84.6	52%	0.522	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	109.9	174.7	-172.5	177.8	-178.9	-179.3	0	110	Y72 M73	K11-Y72 HydrophobicContact CD-CD1 4.4Å; K11-Y72 VanDerWaalsContact CE-CD1 3.47Å; K11-Y72 HydrophobicContact CG-CD1 4.39Å; K11-M73 WeakPolarHBondContact CA-O 3.5Å
12	L	97.3	Very high	93.1	Very high	40 Å²	40	79.4 Å²	79.4	21%	0.209	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	146.6	174.7	-58.8	175.3	0	0	0	109.9	V10 W28 Y72 M73 Y86	V10-L12 HydrophobicContact CG2-CD2 4.3Å; L12-W28 HydrophobicContact CB-CH2 4.05Å; L12-W28 HydrophobicContact CB-CZ3 3.88Å; L12-W28 HydrophobicContact CD1-CZ3 4.47Å; L12-Y72 WeakPolarHBondContact O-CA 3.3Å; L12-M73 HydrophobicContact CD1-CE 3.65Å; L12-M73 PolarHBondContact N-O 2.82Å; L12-M73 PolarHBondContact O-N 3.24Å; L12-Y86 HydrophobicContact CD1-CD1 4.31Å; L12-Y86 HydrophobicContact CD1-CD2 4.06Å; L12-Y86 HydrophobicContact CD1-CG 3.75Å
13	S	97.8	Very high	93.9	Very high	83 Å²	83	76.1 Å²	76.1	58%	0.58	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.8	145.8	177.8	67.5	0	0	0	0	110.9	A71 Y72	S13-A71 CarbonylContact C-O 3.59Å; S13-A71 WeakPolarHBondContact CA-O 3.41Å; S13-Y72 VanDerWaalsContact CB-CD1 3.49Å; S13-Y72 VanDerWaalsContact CB-CE1 3.44Å
14	C	97.8	Very high	94.3	Very high	14 Å²	14	70.8 Å²	70.8	10%	0.095	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	103.2	178.1	178.7	0	0	0	0	109	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.8Å; C14-W28 HydrophobicContact CB-CZ2 3.94Å; C14-T70 CarbonylContact O-C 3.53Å; C14-T70 WeakPolarHBondContact O-CA 3.44Å; C14-A71 HydrophobicContact CB-CB 4.46Å; C14-A71 PolarHBondContact N-O 2.94Å; C14-A71 PolarHBondContact O-N 2.77Å; C14-C88 HydrophobicContact CB-CB 3.47Å; C14-C88 VanDerWaalsContact CB-CB 3.47Å; C14-C88 WeakPolarHBondContact CB-SG 3.4Å; C14-C88 WeakPolarHBondContact SG-CB 3.38Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.39Å
15	K	97.6	Very high	94.7	Very high	154 Å²	154	69.1 Å²	69.1	67%	0.67	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	120.5	179.6	-172.6	173	-176.7	176.8	0	110.3	T70	K15-T70 HydrophobicContact CB-CG2 4.43Å
16	A	95.9	Very high	95.2	Very high	11 Å²	11	59.3 Å²	59.3	9%	0.091	37%	0.368	C	S	.	.			trans	-83	151	175.2	0	0	0	0	0	111.4	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 4.01Å; A16-Y19 HydrophobicContact CB-CE2 4.28Å; A16-Y19 VanDerWaalsContact CB-OH 3.23Å; A16-Y19 WeakPolarHBondContact CB-OH 3.47Å; A16-F21 HydrophobicContact CB-CB 4.34Å; A16-F21 HydrophobicContact CB-CD2 3.39Å; A16-F21 HydrophobicContact CB-CE2 4Å; A16-F21 HydrophobicContact CB-CG 4.16Å; A16-S69 PolarHBondContact N-O 2.85Å
17	S	95.4	Very high	95.5	Very high	103 Å²	103	54.8 Å²	54.8	72%	0.72	34%	0.337	S	S	*	.			trans	-152.9	156.9	172	60.4	0	0	0	0	110.5	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.44Å; S17-Y19 WeakPolarHBondContact O-CE1 3.46Å; S17-Y19 PolarHBondContact O-N 2.9Å
18	G	94.8	Very high	95.9	Very high	87 Å²	87	52.5 Å²	52.5	90%	0.897	31%	0.311	S	S	*	.	S	Bend	trans	79.9	9.9	175.9	0	0	0	0	0	116
19	Y	91.6	Very high	96	Very high	58 Å²	58	51.7 Å²	51.7	23%	0.227	31%	0.305	C	S	.	.	S	Bend	trans	-158.8	167.2	173.8	62.2	-86	0	0	0	111.4	A16 S17 F21 Y24 M26 R90	A16-Y19 HydrophobicContact CB-CE1 4.01Å; A16-Y19 HydrophobicContact CB-CE2 4.28Å; A16-Y19 VanDerWaalsContact CB-OH 3.23Å; A16-Y19 WeakPolarHBondContact CB-OH 3.47Å; S17-Y19 WeakPolarHBondContact O-CD1 3.44Å; S17-Y19 WeakPolarHBondContact O-CE1 3.46Å; S17-Y19 PolarHBondContact O-N 2.9Å; Y19-F21 PolarHBondContact O-N 2.84Å; Y19-Y24 AromaticContact CD2-CD2 3.44Å; Y19-Y24 HydrophobicContact CD2-CD2 3.44Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.44Å; Y19-Y24 AromaticContact CD2-CE2 3.76Å; Y19-Y24 HydrophobicContact CD2-CE2 3.76Å; Y19-Y24 HydrophobicContact CD2-CG 4.36Å; Y19-Y24 AromaticContact CE2-CD2 3.8Å; Y19-Y24 HydrophobicContact CE2-CD2 3.8Å; Y19-Y24 HydrophobicContact CE2-CG 4.36Å; Y19-Y24 HydrophobicContact CG-CD2 4.43Å; Y19-Y24 HydrophobicContact CG-CE2 4.38Å; Y19-M26 WeakPolarHBondContact OH-CE 3.37Å; Y19-R90 HydrophobicContact CE2-CG 4.16Å
20	T	94.8	Very high	96.1	Very high	87 Å²	87	48.8 Å²	48.8	53%	0.534	28%	0.284	S	S	.	.			trans	-68.6	99.6	172.7	-51.9	0	0	0	0	109.9	T22 S23	T20-T22 PolarHBondContact O-N 3.37Å; T20-T22 VanDerWaalsContact O-N 3.15Å; T20-S23 WeakPolarHBondContact CB-OG 3.4Å; T20-S23 VanDerWaalsContact CG2-OG 3.28Å; T20-S23 WeakPolarHBondContact CG2-OG 3.45Å; T20-S23 WeakPolarHBondContact O-CB 3.2Å; T20-S23 PolarHBondContact O-N 2.86Å
21	F	95.1	Very high	96.1	Very high	7 Å²	7	51.2 Å²	51.2	3%	0.031	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-53.4	-37	-174.7	174.9	-119.7	0	0	0	113.5	A16 Y19 S23 M26 P45 V64 A71	A16-F21 HydrophobicContact CB-CB 4.34Å; A16-F21 HydrophobicContact CB-CD2 3.39Å; A16-F21 HydrophobicContact CB-CE2 4Å; A16-F21 HydrophobicContact CB-CG 4.16Å; Y19-F21 PolarHBondContact O-N 2.84Å; F21-S23 PolarHBondContact O-N 3.05Å; F21-M26 HydrophobicContact CE2-CE 4.01Å; F21-P45 HydrophobicContact CD1-CB 3.87Å; F21-P45 HydrophobicContact CD1-CG 4.25Å; F21-P45 HydrophobicContact CD2-CG 4.27Å; F21-P45 HydrophobicContact CE1-CB 3.52Å; F21-P45 HydrophobicContact CE1-CG 3.85Å; F21-P45 HydrophobicContact CE2-CB 4.44Å; F21-P45 HydrophobicContact CE2-CG 3.86Å; F21-P45 HydrophobicContact CG-CB 4.49Å; F21-P45 HydrophobicContact CG-CG 4.47Å; F21-P45 HydrophobicContact CZ-CB 3.84Å; F21-P45 HydrophobicContact CZ-CG 3.63Å; F21-V64 HydrophobicContact CE1-CB 4.34Å; F21-V64 HydrophobicContact CE1-CG1 4.4Å; F21-V64 HydrophobicContact CZ-CB 4.48Å; F21-V64 HydrophobicContact CZ-CG1 4.11Å; F21-A71 HydrophobicContact CE2-CB 4.43Å; F21-A71 HydrophobicContact CZ-CB 4.09Å
22	T	95.8	Very high	96	Very high	47 Å²	47	47.9 Å²	47.9	29%	0.288	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-73.9	-5.6	-179.3	52	0	0	0	0	114.9	T20 S46 K66	T20-T22 PolarHBondContact O-N 3.37Å; T20-T22 VanDerWaalsContact O-N 3.15Å; T22-S46 WeakPolarHBondContact O-CB 3.24Å; T22-K66 HydrophobicContact CG2-CD 4.21Å; T22-K66 HydrophobicContact CG2-CG 4.37Å
23	S	94.5	Very high	95.8	Very high	53 Å²	53	51.8 Å²	51.8	37%	0.371	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-95.7	1.1	-178.2	-55.5	0	0	0	0	114.3	T20 F21	T20-S23 WeakPolarHBondContact CB-OG 3.4Å; T20-S23 VanDerWaalsContact CG2-OG 3.28Å; T20-S23 WeakPolarHBondContact CG2-OG 3.45Å; T20-S23 WeakPolarHBondContact O-CB 3.2Å; T20-S23 PolarHBondContact O-N 2.86Å; F21-S23 PolarHBondContact O-N 3.05Å
24	Y	93.8	Very high	95.6	Very high	67 Å²	67	52.3 Å²	52.3	26%	0.263	33%	0.325	S	S	.	.	S	Bend	trans	-138.8	144	-173.8	-62.7	-89.7	0	0	0	111.9	Y19 P45 R90 M92	Y19-Y24 AromaticContact CD2-CD2 3.44Å; Y19-Y24 HydrophobicContact CD2-CD2 3.44Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.44Å; Y19-Y24 AromaticContact CD2-CE2 3.76Å; Y19-Y24 HydrophobicContact CD2-CE2 3.76Å; Y19-Y24 HydrophobicContact CD2-CG 4.36Å; Y19-Y24 AromaticContact CE2-CD2 3.8Å; Y19-Y24 HydrophobicContact CE2-CD2 3.8Å; Y19-Y24 HydrophobicContact CE2-CG 4.36Å; Y19-Y24 HydrophobicContact CG-CD2 4.43Å; Y19-Y24 HydrophobicContact CG-CE2 4.38Å; Y24-P45 WeakPolarHBondContact O-CD 3.19Å; Y24-R90 HydrophobicContact CD1-CG 3.92Å; Y24-R90 HydrophobicContact CG-CG 3.77Å; Y24-M92 HydrophobicContact CE1-CG 4.39Å
25	W	95.9	Very high	95.3	Very high	26 Å²	26	56.2 Å²	56.2	10%	0.098	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	143.5	167.8	-69.6	84.4	0	0	0	110.8	N42 I43 Y44 E49 H51 K91 H93	W25-N42 HydrophobicContact CE3-CB 4Å; W25-N42 VanDerWaalsContact CE3-CG 3.48Å; W25-N42 WeakPolarHBondContact CZ3-OD1 3.47Å; W25-I43 VanDerWaalsContact CE3-C 3.47Å; W25-Y44 AromaticContact CD1-CD2 3.65Å; W25-Y44 AromaticContact CD2-CD2 3.88Å; W25-Y44 HydrophobicContact CD2-CD2 3.88Å; W25-Y44 HydrophobicContact CD2-CG 4.15Å; W25-Y44 AromaticContact CE2-CD2 3.79Å; W25-Y44 AromaticContact CE2-CG 3.87Å; W25-Y44 VanDerWaalsContact CE3-N 3.31Å; W25-Y44 AromaticContact CG-CD2 3.82Å; W25-Y44 HydrophobicContact CG-CD2 3.82Å; W25-Y44 HydrophobicContact CZ2-CD2 4.48Å; W25-Y44 HydrophobicContact CZ2-CG 4.11Å; W25-Y44 AromaticContact NE1-CD2 3.58Å; W25-E49 HydrophobicContact CH2-CB 3.94Å; W25-E49 HydrophobicContact CH2-CG 3.88Å; W25-E49 WeakPolarHBondContact CZ3-O 3.34Å; W25-H51 AromaticContact CH2-CE1 3.77Å; W25-K91 HydrophobicContact CB-CB 4.01Å; W25-K91 PolarHBondContact O-N 2.6Å; W25-H93 AromaticContact CD1-CD2 3.73Å; W25-H93 AromaticContact CD1-CE1 3.84Å; W25-H93 AromaticContact CD1-NE2 3.25Å; W25-H93 AromaticContact NE1-CD2 3.95Å; W25-H93 AromaticContact NE1-CE1 3.37Å; W25-H93 PolarHBondContact NE1-CE1 3.46Å; W25-H93 AromaticContact NE1-NE2 2.99Å; W25-H93 PolarHBondContact NE1-NE2 2.63Å
26	M	97	Very high	95.1	Very high	5 Å²	5	51.6 Å²	51.6	3%	0.025	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	107.4	170.4	-170	59.1	62.8	0	0	109.6	Y19 F21 N42 I43 A71 C88	Y19-M26 WeakPolarHBondContact OH-CE 3.37Å; F21-M26 HydrophobicContact CE2-CE 4.01Å; M26-N42 WeakPolarHBondContact O-CA 3.37Å; M26-N42 VanDerWaalsContact O-CB 3.27Å; M26-N42 WeakPolarHBondContact O-CB 2.99Å; M26-I43 HydrophobicContact CB-CG2 4.15Å; M26-I43 PolarHBondContact N-O 3.15Å; M26-I43 PolarHBondContact O-N 3.01Å; M26-I43 VanDerWaalsContact O-N 3.08Å; M26-A71 HydrophobicContact CB-CB 4.2Å; M26-A71 HydrophobicContact CG-CB 3.7Å; M26-C88 HydrophobicContact CG-CB 4.41Å; M26-C88 HydrophobicContact SD-CB 3.88Å
27	D	97.4	Very high	95.1	Very high	20 Å²	20	56.6 Å²	56.6	11%	0.107	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	144.5	174.2	-72.5	-55.5	0	0	0	110.8	W39 N42 C88 A89 K91	D27-W39 PolarHBondContact OD1-NE1 3.06Å; D27-N42 HydrophobicContact CB-CB 4.49Å; D27-N42 WeakPolarHBondContact OD1-CB 2.97Å; D27-N42 PolarHBondContact OD1-ND2 2.83Å; D27-C88 CarbonylContact O-C 3.58Å; D27-C88 WeakPolarHBondContact O-CA 3.3Å; D27-A89 HydrophobicContact CB-CB 4.49Å; D27-A89 PolarHBondContact N-O 3.1Å; D27-A89 PolarHBondContact O-N 3.34Å; D27-K91 VanDerWaalsContact OD2-CB 3.3Å; D27-K91 WeakPolarHBondContact OD2-CB 2.97Å; D27-K91 WeakPolarHBondContact OD2-CD 3.22Å
28	W	98.2	Very high	95.2	Very high	6 Å²	6	53.4 Å²	53.4	2%	0.023	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	132.4	168.5	-70.4	89.6	0	0	0	110.1	L12 C14 I40 G41 L62 A71 M73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 4.05Å; L12-W28 HydrophobicContact CB-CZ3 3.88Å; L12-W28 HydrophobicContact CD1-CZ3 4.47Å; C14-W28 HydrophobicContact CB-CH2 3.8Å; C14-W28 HydrophobicContact CB-CZ2 3.94Å; W28-I40 HydrophobicContact CB-CB 4.21Å; W28-I40 HydrophobicContact CB-CD1 4.38Å; W28-I40 WeakPolarHBondContact O-CB 3.48Å; W28-I40 PolarHBondContact O-N 2.9Å; W28-G41 PolarHBondContact N-O 3.48Å; W28-L62 HydrophobicContact CG-CD2 4.06Å; W28-A71 HydrophobicContact CZ2-CB 4.25Å; W28-M73 HydrophobicContact CB-SD 3.84Å; W28-M73 HydrophobicContact CD2-CB 3.64Å; W28-M73 HydrophobicContact CD2-CE 4.22Å; W28-M73 HydrophobicContact CD2-CG 4.43Å; W28-M73 HydrophobicContact CD2-SD 4.03Å; W28-M73 HydrophobicContact CE3-CB 3.84Å; W28-M73 HydrophobicContact CE3-CE 3.65Å; W28-M73 HydrophobicContact CE3-SD 4.09Å; W28-M73 HydrophobicContact CG-CB 4.2Å; W28-M73 HydrophobicContact CG-SD 3.95Å; W28-M73 HydrophobicContact CH2-CB 4.01Å; W28-M73 HydrophobicContact CZ2-CB 3.84Å; W28-M73 HydrophobicContact CZ3-CB 4.02Å; W28-M73 HydrophobicContact CZ3-CE 4.22Å; W28-Y87 WeakPolarHBondContact CA-O 2.99Å; W28-C88 HydrophobicContact CD2-CB 4.42Å; W28-C88 HydrophobicContact CE3-CB 4.26Å; W28-C88 HydrophobicContact CH2-CB 4.36Å; W28-C88 HydrophobicContact CZ2-CB 4.49Å; W28-C88 HydrophobicContact CZ3-CB 4.23Å
29	V	97.6	Very high	95.3	Very high	21 Å²	21	53.3 Å²	53.3	13%	0.127	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	137.3	-173.6	-173.3	0	0	0	0	109.8	L37 E38 Y86 Y87	V29-L37 HydrophobicContact CG1-CB 3.72Å; V29-L37 HydrophobicContact CG1-CD2 3.89Å; V29-L37 HydrophobicContact CG1-CG 4.25Å; V29-E38 WeakPolarHBondContact CA-O 3.16Å; V29-Y86 CarbonylContact O-C 3.56Å; V29-Y86 WeakPolarHBondContact O-CA 3.43Å; V29-Y87 PolarHBondContact N-O 3.44Å; V29-Y87 PolarHBondContact O-N 3.11Å
30	K	97	Very high	95.6	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.009	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	138.4	174.4	-178.1	179.5	-179.9	177.5	0	110.1	R32 E38 I40 F56 E81 D82 A84 Y86	K30-R32 VanDerWaalsContact NZ-NH2 3.18Å; K30-E38 HydrophobicContact CB-CB 4.38Å; K30-E38 PolarHBondContact N-O 3.48Å; K30-E38 PolarHBondContact O-N 3.16Å; K30-I40 HydrophobicContact CB-CD1 3.93Å; K30-I40 HydrophobicContact CB-CG1 4.23Å; K30-F56 HydrophobicContact CD-CE1 4.04Å; K30-F56 HydrophobicContact CD-CZ 4.09Å; K30-E81 WeakPolarHBondContact CE-O 3.33Å; K30-E81 PolarHBondContact NZ-O 2.92Å; K30-D82 IonicContact NZ-OD1 3.24Å; K30-D82 PolarHBondContact NZ-OD1 2.63Å; K30-A84 HydrophobicContact CD-CB 4.2Å; K30-A84 HydrophobicContact CG-CB 3.51Å; K30-Y86 HydrophobicContact CB-CD1 4.13Å; K30-Y86 HydrophobicContact CB-CE1 3.89Å; K30-Y86 HydrophobicContact CD-CE1 4Å; K30-Y86 HydrophobicContact CG-CD1 4.32Å; K30-Y86 HydrophobicContact CG-CE1 3.76Å
31	Q	96.8	Very high	95.7	Very high	65 Å²	65	46.4 Å²	46.4	30%	0.304	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	115.6	173.1	-168.6	-178.4	34	0	0	110.4	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.83Å; Q31-L37 HydrophobicContact CG-CD2 3.91Å; Q31-A84 WeakPolarHBondContact O-CB 3.27Å; Q31-V85 PolarHBondContact N-O 2.75Å; Q31-V85 PolarHBondContact O-N 2.84Å; Q31-Y87 HydrophobicContact CB-CD2 4.38Å; Q31-Y87 HydrophobicContact CB-CE2 3.73Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.25Å; Q31-Y87 PolarHBondContact OE1-OH 2.98Å
32	R	94.8	Very high	95.8	Very high	49 Å²	49	46.5 Å²	46.5	19%	0.185	27%	0.273	C	S	.	.			trans	-88.6	150.2	169	-60.2	-164.7	-170.9	106.2	-7.9	110.5	K30 G34 Q35 E38 E81 A84	K30-R32 VanDerWaalsContact NZ-NH2 3.18Å; R32-G34 PolarHBondContact O-N 3.18Å; R32-Q35 HydrophobicContact CB-CB 4.03Å; R32-Q35 HydrophobicContact CB-CG 4.04Å; R32-Q35 PolarHBondContact O-N 3.26Å; R32-E38 IonicContact CZ-OE1 2.75Å; R32-E38 IonicContact NH1-OE1 3.57Å; R32-E38 PolarHBondContact NH1-OE1 3.41Å; R32-E81 VanDerWaalsContact CZ-O 3.23Å; R32-E81 PolarHBondContact NE-O 3.43Å; R32-E81 PolarHBondContact NH2-O 3.18Å; R32-A84 HydrophobicContact CG-CB 4.11Å
33	P	92.8	Very high	95.9	Very high	122 Å²	122	44.3 Å²	44.3	79%	0.792	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	127.8	171.8	-24.8	34.4	0	0	0	111.2	Q35	P33-Q35 PolarHBondContact O-N 2.95Å
34	G	93.1	Very high	96.1	Very high	95 Å²	95	44 Å²	44	98%	0.979	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	3	-179.6	0	0	0	0	0	115.7	R32	R32-G34 PolarHBondContact O-N 3.18Å
35	Q	92.3	Very high	96.2	Very high	96 Å²	96	40.8 Å²	40.8	45%	0.449	24%	0.239	S	C	.	.	S	Bend	trans	-112.5	159.4	174.7	-58.9	-174.3	-2.5	0	0	111.1	R32 P33	R32-Q35 HydrophobicContact CB-CB 4.03Å; R32-Q35 HydrophobicContact CB-CG 4.04Å; R32-Q35 PolarHBondContact O-N 3.26Å; P33-Q35 PolarHBondContact O-N 2.95Å
36	G	93.3	Very high	96.2	Very high	56 Å²	56	42.3 Å²	42.3	58%	0.577	25%	0.253	S	S	*	.			trans	-67.7	176	172.9	0	0	0	0	0	113
37	L	95.4	Very high	96.2	Very high	117 Å²	117	46.5 Å²	46.5	61%	0.613	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.4	125.3	172.5	-65.5	176.5	0	0	0	110.1	V29 Q31	V29-L37 HydrophobicContact CG1-CB 3.72Å; V29-L37 HydrophobicContact CG1-CD2 3.89Å; V29-L37 HydrophobicContact CG1-CG 4.25Å; Q31-L37 HydrophobicContact CB-CD2 3.83Å; Q31-L37 HydrophobicContact CG-CD2 3.91Å
38	E	96.5	Very high	96.1	Very high	35 Å²	35	48.4 Å²	48.4	16%	0.164	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	113.1	172.8	-65.8	-168.3	-89.8	0	0	109.4	V29 K30 R32 I40 K55 F56	V29-E38 WeakPolarHBondContact CA-O 3.16Å; K30-E38 HydrophobicContact CB-CB 4.38Å; K30-E38 PolarHBondContact N-O 3.48Å; K30-E38 PolarHBondContact O-N 3.16Å; R32-E38 IonicContact CZ-OE1 2.75Å; R32-E38 IonicContact NH1-OE1 3.57Å; R32-E38 PolarHBondContact NH1-OE1 3.41Å; E38-I40 PolarHBondContact O-N 2.83Å; E38-K55 IonicContact OE2-NZ 3.91Å; E38-K55 PolarHBondContact OE2-NZ 3.24Å; E38-F56 HydrophobicContact CB-CZ 4.45Å
39	W	97.1	Very high	96.1	Very high	86 Å²	86	52.5 Å²	52.5	33%	0.326	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	128.2	174	179.8	80.1	0	0	0	110.3	D27 G41 N42 H51 N53	D27-W39 PolarHBondContact OD1-NE1 3.06Å; W39-G41 VanDerWaalsContact CZ2-C 3.4Å; W39-G41 PolarHBondContact NE1-O 2.87Å; W39-N42 HydrophobicContact CZ2-CB 4.23Å; W39-N42 WeakPolarHBondContact CZ2-ND2 3.5Å; W39-H51 HydrophobicContact CH2-CB 4.07Å; W39-H51 HydrophobicContact CZ2-CB 4.48Å; W39-N53 HydrophobicContact CE3-CB 3.72Å; W39-N53 HydrophobicContact CZ3-CB 3.85Å; W39-N53 VanDerWaalsContact CZ3-N 3.28Å; W39-N53 VanDerWaalsContact O-CB 3.24Å; W39-N53 WeakPolarHBondContact O-CB 3.32Å; W39-N53 PolarHBondContact O-ND2 3.08Å
40	I	97.9	Very high	96.1	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	-47.3	-178.6	-68.7	161.2	0	0	0	110.6	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.21Å; W28-I40 HydrophobicContact CB-CD1 4.38Å; W28-I40 WeakPolarHBondContact O-CB 3.48Å; W28-I40 PolarHBondContact O-N 2.9Å; K30-I40 HydrophobicContact CB-CD1 3.93Å; K30-I40 HydrophobicContact CB-CG1 4.23Å; E38-I40 PolarHBondContact O-N 2.83Å; I40-N53 WeakPolarHBondContact O-CB 3.49Å; I40-N53 PolarHBondContact O-N 2.79Å; I40-F56 HydrophobicContact CB-CD2 4.33Å; I40-F56 HydrophobicContact CB-CG 4.29Å; I40-F56 HydrophobicContact CG1-CD1 4.06Å; I40-F56 HydrophobicContact CG1-CD2 4.12Å; I40-F56 HydrophobicContact CG1-CE1 4.07Å; I40-F56 HydrophobicContact CG1-CE2 4.12Å; I40-F56 HydrophobicContact CG1-CG 4.08Å; I40-F56 HydrophobicContact CG1-CZ 4.1Å; I40-F56 HydrophobicContact CG2-CB 3.81Å; I40-F56 HydrophobicContact CG2-CD1 4.38Å; I40-F56 HydrophobicContact CG2-CD2 4.47Å; I40-F56 HydrophobicContact CG2-CG 3.99Å; I40-A60 HydrophobicContact CG2-CB 3.72Å; I40-M73 HydrophobicContact CD1-CE 3.84Å; I40-M73 HydrophobicContact CD1-SD 3.75Å; I40-M73 HydrophobicContact CG2-SD 3.87Å; I40-Y86 HydrophobicContact CD1-CD1 3.79Å; I40-Y86 HydrophobicContact CD1-CE1 3.86Å
41	G	97.7	Very high	96.1	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.9	174.9	-170	0	0	0	0	0	111.1	W28 W39 H51	W28-G41 PolarHBondContact N-O 3.48Å; W39-G41 VanDerWaalsContact CZ2-C 3.4Å; W39-G41 PolarHBondContact NE1-O 2.87Å; G41-H51 CarbonylContact C-O 3.51Å; G41-H51 WeakPolarHBondContact CA-O 3.28Å
42	N	97.6	Very high	96.1	Very high	8 Å²	8	57.5 Å²	57.5	4%	0.043	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	162.6	171.1	59.2	36.8	0	0	0	112.3	W25 M26 D27 W39 T50 H51 L62	W25-N42 HydrophobicContact CE3-CB 4Å; W25-N42 VanDerWaalsContact CE3-CG 3.48Å; W25-N42 WeakPolarHBondContact CZ3-OD1 3.47Å; M26-N42 WeakPolarHBondContact O-CA 3.37Å; M26-N42 VanDerWaalsContact O-CB 3.27Å; M26-N42 WeakPolarHBondContact O-CB 2.99Å; D27-N42 HydrophobicContact CB-CB 4.49Å; D27-N42 WeakPolarHBondContact OD1-CB 2.97Å; D27-N42 PolarHBondContact OD1-ND2 2.83Å; W39-N42 HydrophobicContact CZ2-CB 4.23Å; W39-N42 WeakPolarHBondContact CZ2-ND2 3.5Å; N42-T50 VanDerWaalsContact O-CA 3.27Å; N42-T50 WeakPolarHBondContact O-CA 3.08Å; N42-H51 PolarHBondContact N-O 2.56Å; N42-H51 PolarHBondContact O-N 3.44Å; N42-L62 WeakPolarHBondContact O-CD1 3.27Å
43	I	97.9	Very high	96.2	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.01	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	133.2	177	-174	157.7	0	0	0	109.5	W25 M26 P45 E49 T50 L62 V64	W25-I43 VanDerWaalsContact CE3-C 3.47Å; M26-I43 HydrophobicContact CB-CG2 4.15Å; M26-I43 PolarHBondContact N-O 3.15Å; M26-I43 PolarHBondContact O-N 3.01Å; M26-I43 VanDerWaalsContact O-N 3.08Å; I43-P45 WeakPolarHBondContact O-CD 3.21Å; I43-E49 CarbonylContact C-O 3.54Å; I43-E49 VanDerWaalsContact CA-O 3.27Å; I43-E49 WeakPolarHBondContact CA-O 2.99Å; I43-T50 HydrophobicContact CB-CG2 3.88Å; I43-T50 HydrophobicContact CD1-CG2 3.58Å; I43-T50 HydrophobicContact CG1-CG2 3.67Å; I43-L62 HydrophobicContact CB-CB 4.16Å; I43-L62 HydrophobicContact CB-CD1 4.45Å; I43-L62 HydrophobicContact CD1-CB 4.24Å; I43-L62 HydrophobicContact CG2-CB 4.42Å; I43-V64 HydrophobicContact CB-CG1 4.47Å; I43-V64 HydrophobicContact CD1-CB 4.5Å; I43-V64 HydrophobicContact CD1-CG1 3.77Å; I43-V64 HydrophobicContact CD1-CG2 4.29Å; I43-V64 HydrophobicContact CG1-CG1 3.9Å; I43-V64 HydrophobicContact CG2-CG1 3.74Å
44	Y	97.2	Very high	96.4	Very high	46 Å²	46	58.2 Å²	58.2	18%	0.18	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	112.2	170.8	-164.3	-129.1	0	0	0	109	W25 S46 D47 S48 E49 H93	W25-Y44 AromaticContact CD1-CD2 3.65Å; W25-Y44 AromaticContact CD2-CD2 3.88Å; W25-Y44 HydrophobicContact CD2-CD2 3.88Å; W25-Y44 HydrophobicContact CD2-CG 4.15Å; W25-Y44 AromaticContact CE2-CD2 3.79Å; W25-Y44 AromaticContact CE2-CG 3.87Å; W25-Y44 VanDerWaalsContact CE3-N 3.31Å; W25-Y44 AromaticContact CG-CD2 3.82Å; W25-Y44 HydrophobicContact CG-CD2 3.82Å; W25-Y44 HydrophobicContact CZ2-CD2 4.48Å; W25-Y44 HydrophobicContact CZ2-CG 4.11Å; W25-Y44 AromaticContact NE1-CD2 3.58Å; Y44-S46 PolarHBondContact O-N 3.19Å; Y44-S46 VanDerWaalsContact O-N 3.11Å; Y44-D47 WeakPolarHBondContact CD1-OD1 3.43Å; Y44-S48 VanDerWaalsContact O-CA 3.24Å; Y44-S48 WeakPolarHBondContact O-CA 3.33Å; Y44-S48 PolarHBondContact O-N 2.9Å; Y44-E49 PolarHBondContact N-O 2.79Å; Y44-H93 AromaticContact CE2-NE2 3.98Å
45	P	96.8	Very high	96.4	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-14.1	-170.7	-18.8	31.9	0	0	0	114.2	F21 Y24 I43 V64 K66	F21-P45 HydrophobicContact CD1-CB 3.87Å; F21-P45 HydrophobicContact CD1-CG 4.25Å; F21-P45 HydrophobicContact CD2-CG 4.27Å; F21-P45 HydrophobicContact CE1-CB 3.52Å; F21-P45 HydrophobicContact CE1-CG 3.85Å; F21-P45 HydrophobicContact CE2-CB 4.44Å; F21-P45 HydrophobicContact CE2-CG 3.86Å; F21-P45 HydrophobicContact CG-CB 4.49Å; F21-P45 HydrophobicContact CG-CG 4.47Å; F21-P45 HydrophobicContact CZ-CB 3.84Å; F21-P45 HydrophobicContact CZ-CG 3.63Å; Y24-P45 WeakPolarHBondContact O-CD 3.19Å; I43-P45 WeakPolarHBondContact O-CD 3.21Å; P45-V64 HydrophobicContact CB-CB 4.35Å; P45-V64 HydrophobicContact CB-CG1 3.98Å; P45-V64 HydrophobicContact CB-CG2 4.39Å; P45-V64 HydrophobicContact CG-CG1 4.14Å; P45-K66 WeakPolarHBondContact O-CD 3.48Å; P45-K66 WeakPolarHBondContact O-CE 3.42Å; P45-K66 PolarHBondContact O-NZ 3.13Å
46	S	96.2	Very high	96.6	Very high	57 Å²	57	56.7 Å²	56.7	40%	0.399	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-47.5	179.1	-170.2	0	0	0	0	112.5	T22 Y44 K66	T22-S46 WeakPolarHBondContact O-CB 3.24Å; Y44-S46 PolarHBondContact O-N 3.19Å; Y44-S46 VanDerWaalsContact O-N 3.11Å; S46-K66 PolarHBondContact O-NZ 2.89Å
47	D	96.3	Very high	96.7	Very high	93 Å²	93	59.5 Å²	59.5	50%	0.497	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.8	0.7	-173.9	51.5	22.8	0	0	0	113.1	Y44 E49	Y44-D47 WeakPolarHBondContact CD1-OD1 3.43Å; D47-E49 PolarHBondContact O-N 3.05Å; D47-E49 WeakPolarHBondContact OD1-CB 3.49Å; D47-E49 PolarHBondContact OD1-N 3.27Å
48	S	96.2	Very high	96.6	Very high	60 Å²	60	61.3 Å²	61.3	42%	0.42	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.6	23.1	-176.6	-51.1	0	0	0	0	113.4	Y44 T50	Y44-S48 VanDerWaalsContact O-CA 3.24Å; Y44-S48 WeakPolarHBondContact O-CA 3.33Å; Y44-S48 PolarHBondContact O-N 2.9Å; S48-T50 PolarHBondContact O-N 2.02Å
49	E	97.3	Very high	96.6	Very high	92 Å²	92	61.7 Å²	61.7	43%	0.43	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	134.4	169.6	-170.4	-178.9	171.9	0	0	109.6	W25 I43 Y44 D47 H51	W25-E49 HydrophobicContact CH2-CB 3.94Å; W25-E49 HydrophobicContact CH2-CG 3.88Å; W25-E49 WeakPolarHBondContact CZ3-O 3.34Å; I43-E49 CarbonylContact C-O 3.54Å; I43-E49 VanDerWaalsContact CA-O 3.27Å; I43-E49 WeakPolarHBondContact CA-O 2.99Å; Y44-E49 PolarHBondContact N-O 2.79Å; D47-E49 PolarHBondContact O-N 3.05Å; D47-E49 WeakPolarHBondContact OD1-CB 3.49Å; D47-E49 PolarHBondContact OD1-N 3.27Å; E49-H51 IonicContact OE1-CD2 2.56Å; E49-H51 IonicContact OE1-CE1 2.79Å; E49-H51 IonicContact OE1-NE2 3.43Å; E49-H51 PolarHBondContact OE1-NE2 2.88Å
50	T	97.6	Very high	96.6	Very high	51 Å²	51	57.7 Å²	57.7	31%	0.313	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	132.8	-178.4	50	0	0	0	0	111.7	N42 I43 S48 L62	N42-T50 VanDerWaalsContact O-CA 3.27Å; N42-T50 WeakPolarHBondContact O-CA 3.08Å; I43-T50 HydrophobicContact CB-CG2 3.88Å; I43-T50 HydrophobicContact CD1-CG2 3.58Å; I43-T50 HydrophobicContact CG1-CG2 3.67Å; S48-T50 PolarHBondContact O-N 2.02Å; T50-L62 HydrophobicContact CG2-CB 4.09Å
51	H	97.3	Very high	96.6	Very high	83 Å²	83	61 Å²	61	38%	0.384	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	143.6	168.4	-57.7	160.5	0	0	0	109.6	W25 W39 G41 N42 E49	W25-H51 AromaticContact CH2-CE1 3.77Å; W39-H51 HydrophobicContact CH2-CB 4.07Å; W39-H51 HydrophobicContact CZ2-CB 4.48Å; G41-H51 CarbonylContact C-O 3.51Å; G41-H51 WeakPolarHBondContact CA-O 3.28Å; N42-H51 PolarHBondContact N-O 2.56Å; N42-H51 PolarHBondContact O-N 3.44Å; E49-H51 IonicContact OE1-CD2 2.56Å; E49-H51 IonicContact OE1-CE1 2.79Å; E49-H51 IonicContact OE1-NE2 3.43Å; E49-H51 PolarHBondContact OE1-NE2 2.88Å
52	Y	97.9	Very high	96.7	Very high	60 Å²	60	61.5 Å²	61.5	24%	0.235	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	146.6	-178.6	-67.7	-88.5	0	0	0	110.7	A60 L62	Y52-A60 HydrophobicContact CE1-CB 4.35Å; Y52-A60 WeakPolarHBondContact CE1-O 3.23Å; Y52-L62 HydrophobicContact CE1-CD1 4.06Å; Y52-L62 HydrophobicContact CE1-CG 3.72Å; Y52-L62 PolarHBondContact OH-N 2.84Å
53	N	96.8	Very high	96.7	Very high	45 Å²	45	64 Å²	64	24%	0.241	33%	0.326	C	S	.	.			trans	-71.1	134	157.1	-178.7	-25.2	0	0	0	108.5	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.72Å; W39-N53 HydrophobicContact CZ3-CB 3.85Å; W39-N53 VanDerWaalsContact CZ3-N 3.28Å; W39-N53 VanDerWaalsContact O-CB 3.24Å; W39-N53 WeakPolarHBondContact O-CB 3.32Å; W39-N53 PolarHBondContact O-ND2 3.08Å; I40-N53 WeakPolarHBondContact O-CB 3.49Å; I40-N53 PolarHBondContact O-N 2.79Å; N53-K55 PolarHBondContact O-N 2.97Å; N53-K55 PolarHBondContact OD1-N 2.86Å; N53-K55 VanDerWaalsContact OD1-N 3.13Å; N53-F56 HydrophobicContact CB-CD2 4Å; N53-F56 PolarHBondContact O-N 3.39Å; N53-K57 PolarHBondContact O-N 2.85Å
54	Q	95.9	Very high	96.7	Very high	140 Å²	140	65.2 Å²	65.2	65%	0.654	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-31.7	-176.6	-167.5	61.6	27.8	0	0	113	F56	Q54-F56 PolarHBondContact O-N 3.13Å
55	K	94.1	Very high	96.7	Very high	149 Å²	149	65.6 Å²	65.6	65%	0.648	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-26.1	176.6	-66.1	-174.3	-176.9	-179.5	0	114.1	E38 N53	E38-K55 IonicContact OE2-NZ 3.91Å; E38-K55 PolarHBondContact OE2-NZ 3.24Å; N53-K55 PolarHBondContact O-N 2.97Å; N53-K55 PolarHBondContact OD1-N 2.86Å; N53-K55 VanDerWaalsContact OD1-N 3.13Å
56	F	95.8	Very high	96.7	Very high	11 Å²	11	70.5 Å²	70.5	5%	0.048	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-4.8	-172	-61.4	-83.6	0	0	0	113.4	K30 E38 I40 N53 Q54 D58 K59 A60	K30-F56 HydrophobicContact CD-CE1 4.04Å; K30-F56 HydrophobicContact CD-CZ 4.09Å; E38-F56 HydrophobicContact CB-CZ 4.45Å; I40-F56 HydrophobicContact CB-CD2 4.33Å; I40-F56 HydrophobicContact CB-CG 4.29Å; I40-F56 HydrophobicContact CG1-CD1 4.06Å; I40-F56 HydrophobicContact CG1-CD2 4.12Å; I40-F56 HydrophobicContact CG1-CE1 4.07Å; I40-F56 HydrophobicContact CG1-CE2 4.12Å; I40-F56 HydrophobicContact CG1-CG 4.08Å; I40-F56 HydrophobicContact CG1-CZ 4.1Å; I40-F56 HydrophobicContact CG2-CB 3.81Å; I40-F56 HydrophobicContact CG2-CD1 4.38Å; I40-F56 HydrophobicContact CG2-CD2 4.47Å; I40-F56 HydrophobicContact CG2-CG 3.99Å; N53-F56 HydrophobicContact CB-CD2 4Å; N53-F56 PolarHBondContact O-N 3.39Å; Q54-F56 PolarHBondContact O-N 3.13Å; F56-D58 VanDerWaalsContact C-N 3.26Å; F56-D58 PolarHBondContact O-N 2.99Å; F56-K59 PolarHBondContact O-N 2.6Å; F56-A60 HydrophobicContact CB-CB 4.34Å; F56-A60 PolarHBondContact O-N 2.86Å
57	K	94.4	Very high	96.7	Very high	114 Å²	114	73 Å²	73	50%	0.496	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-38.2	-173.9	-171.2	177.1	-178.3	179.1	0	113.6	N53	N53-K57 PolarHBondContact O-N 2.85Å
58	D	94.6	Very high	96.8	Very high	156 Å²	156	70.2 Å²	70.2	83%	0.834	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-1.3	-179.6	-55.4	-39.4	0	0	0	113	F56	F56-D58 VanDerWaalsContact C-N 3.26Å; F56-D58 PolarHBondContact O-N 2.99Å
59	K	95.5	Very high	96.8	Very high	43 Å²	43	69.2 Å²	69.2	19%	0.187	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114	-35.8	-172.3	-163.2	168.6	-164	169.5	0	113.4	F56 L75 S76 D82	F56-K59 PolarHBondContact O-N 2.6Å; K59-L75 WeakPolarHBondContact O-CA 3.41Å; K59-S76 WeakPolarHBondContact CG-O 3.47Å; K59-S76 PolarHBondContact O-N 3.37Å; K59-D82 VanDerWaalsContact CE-CG 3.47Å; K59-D82 WeakPolarHBondContact CE-OD1 3.28Å; K59-D82 WeakPolarHBondContact CE-OD2 3.46Å; K59-D82 IonicContact NZ-OD1 3.78Å; K59-D82 PolarHBondContact NZ-OD1 2.85Å; K59-D82 IonicContact NZ-OD2 3.37Å; K59-D82 PolarHBondContact NZ-OD2 3.02Å
60	A	97.7	Very high	96.9	Very high	2 Å²	2	65.2 Å²	65.2	2%	0.017	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	134.9	-177.1	0	0	0	0	0	110.7	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.72Å; Y52-A60 HydrophobicContact CE1-CB 4.35Å; Y52-A60 WeakPolarHBondContact CE1-O 3.23Å; F56-A60 HydrophobicContact CB-CB 4.34Å; F56-A60 PolarHBondContact O-N 2.86Å; A60-M73 HydrophobicContact CB-CG 4.4Å; A60-M73 HydrophobicContact CB-SD 4.35Å; A60-Q74 CarbonylContact C-O 3.41Å; A60-Q74 WeakPolarHBondContact CA-O 3.38Å; A60-L75 HydrophobicContact CB-CD2 3.86Å
61	T	98.3	Very high	96.9	Very high	70 Å²	70	62.8 Å²	62.8	43%	0.429	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	118.9	169.5	-55.3	0	0	0	0	108.8	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.39Å; T61-M73 WeakPolarHBondContact O-CA 3.3Å; T61-Q74 PolarHBondContact N-O 2.86Å; T61-Q74 PolarHBondContact O-N 2.94Å
62	L	98.5	Very high	97	Very high	9 Å²	9	61.3 Å²	61.3	5%	0.047	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	132.8	178.4	-51.5	-175.6	0	0	0	110.5	W28 N42 I43 T50 Y52 Y72 M73	W28-L62 HydrophobicContact CG-CD2 4.06Å; N42-L62 WeakPolarHBondContact O-CD1 3.27Å; I43-L62 HydrophobicContact CB-CB 4.16Å; I43-L62 HydrophobicContact CB-CD1 4.45Å; I43-L62 HydrophobicContact CD1-CB 4.24Å; I43-L62 HydrophobicContact CG2-CB 4.42Å; T50-L62 HydrophobicContact CG2-CB 4.09Å; Y52-L62 HydrophobicContact CE1-CD1 4.06Å; Y52-L62 HydrophobicContact CE1-CG 3.72Å; Y52-L62 PolarHBondContact OH-N 2.84Å; L62-Y72 WeakPolarHBondContact CA-O 3.44Å; L62-M73 HydrophobicContact CD2-CB 3.75Å; L62-M73 HydrophobicContact CD2-CG 3.64Å; L62-M73 HydrophobicContact CD2-SD 4.04Å
63	T	98.4	Very high	97	Very high	60 Å²	60	58.4 Å²	58.4	37%	0.368	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	161.5	176.4	54.3	0	0	0	0	110.8	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.39Å; T63-Y72 PolarHBondContact N-O 2.87Å; T63-Y72 PolarHBondContact O-N 2.87Å
64	V	98.1	Very high	97	Very high	29 Å²	29	60.2 Å²	60.2	18%	0.176	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	146.6	176.3	-68	0	0	0	0	111.1	F21 I43 P45 T70 A71	F21-V64 HydrophobicContact CE1-CB 4.34Å; F21-V64 HydrophobicContact CE1-CG1 4.4Å; F21-V64 HydrophobicContact CZ-CB 4.48Å; F21-V64 HydrophobicContact CZ-CG1 4.11Å; I43-V64 HydrophobicContact CB-CG1 4.47Å; I43-V64 HydrophobicContact CD1-CB 4.5Å; I43-V64 HydrophobicContact CD1-CG1 3.77Å; I43-V64 HydrophobicContact CD1-CG2 4.29Å; I43-V64 HydrophobicContact CG1-CG1 3.9Å; I43-V64 HydrophobicContact CG2-CG1 3.74Å; P45-V64 HydrophobicContact CB-CB 4.35Å; P45-V64 HydrophobicContact CB-CG1 3.98Å; P45-V64 HydrophobicContact CB-CG2 4.39Å; P45-V64 HydrophobicContact CG-CG1 4.14Å; V64-T70 WeakPolarHBondContact CA-O 2.94Å; V64-A71 HydrophobicContact CG1-CB 4.23Å
65	D	97.7	Very high	97.1	Very high	53 Å²	53	53.6 Å²	53.6	28%	0.283	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	106.4	163.5	173.5	9.2	0	0	0	108.3	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 2.78Å; D65-S67 WeakPolarHBondContact OD1-CB 3.21Å; D65-S67 PolarHBondContact OD1-N 3.01Å; D65-S67 PolarHBondContact OD1-OG 2.75Å; D65-S67 PolarHBondContact OD2-OG 3.34Å; D65-S68 PolarHBondContact OD1-N 3.19Å; D65-S68 VanDerWaalsContact OD2-CB 3.3Å; D65-S68 WeakPolarHBondContact OD2-CB 3.16Å; D65-S68 PolarHBondContact OD2-OG 2.93Å; D65-S69 PolarHBondContact O-N 3.5Å; D65-S69 VanDerWaalsContact O-N 3.1Å; D65-T70 PolarHBondContact N-O 2.81Å; D65-T70 PolarHBondContact O-N 2.77Å; D65-Y72 HydrophobicContact CB-CE2 3.88Å
66	K	96.4	Very high	97.2	Very high	103 Å²	103	48 Å²	48	45%	0.448	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-30.7	-177.9	-53.2	-176	-157.8	-173.4	0	111.7	T22 P45 S46 S69	T22-K66 HydrophobicContact CG2-CD 4.21Å; T22-K66 HydrophobicContact CG2-CG 4.37Å; P45-K66 WeakPolarHBondContact O-CD 3.48Å; P45-K66 WeakPolarHBondContact O-CE 3.42Å; P45-K66 PolarHBondContact O-NZ 3.13Å; S46-K66 PolarHBondContact O-NZ 2.89Å; K66-S69 PolarHBondContact O-N 2.95Å
67	S	96	Very high	97.1	Very high	110 Å²	110	51.4 Å²	51.4	77%	0.769	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-37.7	-177.2	73.7	0	0	0	0	111.9	D65	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 2.78Å; D65-S67 WeakPolarHBondContact OD1-CB 3.21Å; D65-S67 PolarHBondContact OD1-N 3.01Å; D65-S67 PolarHBondContact OD1-OG 2.75Å; D65-S67 PolarHBondContact OD2-OG 3.34Å
68	S	97.4	Very high	97.1	Very high	35 Å²	35	46.6 Å²	46.6	25%	0.245	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-0.5	177.3	67.4	0	0	0	0	113.8	D65 T70	D65-S68 PolarHBondContact OD1-N 3.19Å; D65-S68 VanDerWaalsContact OD2-CB 3.3Å; D65-S68 WeakPolarHBondContact OD2-CB 3.16Å; D65-S68 PolarHBondContact OD2-OG 2.93Å; S68-T70 VanDerWaalsContact C-N 3.26Å; S68-T70 PolarHBondContact O-N 3Å; S68-T70 PolarHBondContact O-OG1 3.48Å; S68-T70 WeakPolarHBondContact OG-CB 3.36Å; S68-T70 PolarHBondContact OG-OG1 2.93Å
69	S	97.5	Very high	97.1	Very high	38 Å²	38	42.3 Å²	42.3	27%	0.266	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	43.1	-172.3	-62.6	0	0	0	0	112.8	A16 D65 K66	A16-S69 PolarHBondContact N-O 2.85Å; D65-S69 PolarHBondContact O-N 3.5Å; D65-S69 VanDerWaalsContact O-N 3.1Å; K66-S69 PolarHBondContact O-N 2.95Å
70	T	98.4	Very high	96.9	Very high	8 Å²	8	45.3 Å²	45.3	5%	0.049	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	127.1	-174.5	-49.5	0	0	0	0	110.9	C14 K15 V64 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.53Å; C14-T70 WeakPolarHBondContact O-CA 3.44Å; K15-T70 HydrophobicContact CB-CG2 4.43Å; V64-T70 WeakPolarHBondContact CA-O 2.94Å; D65-T70 PolarHBondContact N-O 2.81Å; D65-T70 PolarHBondContact O-N 2.77Å; S68-T70 VanDerWaalsContact C-N 3.26Å; S68-T70 PolarHBondContact O-N 3Å; S68-T70 PolarHBondContact O-OG1 3.48Å; S68-T70 WeakPolarHBondContact OG-CB 3.36Å; S68-T70 PolarHBondContact OG-OG1 2.93Å; T70-Y72 HydrophobicContact CG2-CD1 4.28Å; T70-Y72 HydrophobicContact CG2-CD2 4.37Å; T70-Y72 HydrophobicContact CG2-CE1 3.68Å; T70-Y72 HydrophobicContact CG2-CE2 3.77Å
71	A	98.3	Very high	96.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	148.2	165.8	0	0	0	0	0	109.9	S13 C14 F21 M26 W28 V64	S13-A71 CarbonylContact C-O 3.59Å; S13-A71 WeakPolarHBondContact CA-O 3.41Å; C14-A71 HydrophobicContact CB-CB 4.46Å; C14-A71 PolarHBondContact N-O 2.94Å; C14-A71 PolarHBondContact O-N 2.77Å; F21-A71 HydrophobicContact CE2-CB 4.43Å; F21-A71 HydrophobicContact CZ-CB 4.09Å; M26-A71 HydrophobicContact CB-CB 4.2Å; M26-A71 HydrophobicContact CG-CB 3.7Å; W28-A71 HydrophobicContact CZ2-CB 4.25Å; V64-A71 HydrophobicContact CG1-CB 4.23Å
72	Y	98.5	Very high	96.3	Very high	52 Å²	52	48.4 Å²	48.4	20%	0.204	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	146.9	177.3	-56.9	-87.6	0	0	0	110.9	K11 L12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.4Å; K11-Y72 VanDerWaalsContact CE-CD1 3.47Å; K11-Y72 HydrophobicContact CG-CD1 4.39Å; L12-Y72 WeakPolarHBondContact O-CA 3.3Å; S13-Y72 VanDerWaalsContact CB-CD1 3.49Å; S13-Y72 VanDerWaalsContact CB-CE1 3.44Å; L62-Y72 WeakPolarHBondContact CA-O 3.44Å; T63-Y72 PolarHBondContact N-O 2.87Å; T63-Y72 PolarHBondContact O-N 2.87Å; D65-Y72 HydrophobicContact CB-CE2 3.88Å; T70-Y72 HydrophobicContact CG2-CD1 4.28Å; T70-Y72 HydrophobicContact CG2-CD2 4.37Å; T70-Y72 HydrophobicContact CG2-CE1 3.68Å; T70-Y72 HydrophobicContact CG2-CE2 3.77Å
73	M	98.3	Very high	96.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	121.9	167.5	176.7	173.4	71.1	0	0	108.7	K11 L12 W28 I40 A60 T61 L62 L75 Y86	K11-M73 WeakPolarHBondContact CA-O 3.5Å; L12-M73 HydrophobicContact CD1-CE 3.65Å; L12-M73 PolarHBondContact N-O 2.82Å; L12-M73 PolarHBondContact O-N 3.24Å; W28-M73 HydrophobicContact CB-SD 3.84Å; W28-M73 HydrophobicContact CD2-CB 3.64Å; W28-M73 HydrophobicContact CD2-CE 4.22Å; W28-M73 HydrophobicContact CD2-CG 4.43Å; W28-M73 HydrophobicContact CD2-SD 4.03Å; W28-M73 HydrophobicContact CE3-CB 3.84Å; W28-M73 HydrophobicContact CE3-CE 3.65Å; W28-M73 HydrophobicContact CE3-SD 4.09Å; W28-M73 HydrophobicContact CG-CB 4.2Å; W28-M73 HydrophobicContact CG-SD 3.95Å; W28-M73 HydrophobicContact CH2-CB 4.01Å; W28-M73 HydrophobicContact CZ2-CB 3.84Å; W28-M73 HydrophobicContact CZ3-CB 4.02Å; W28-M73 HydrophobicContact CZ3-CE 4.22Å; I40-M73 HydrophobicContact CD1-CE 3.84Å; I40-M73 HydrophobicContact CD1-SD 3.75Å; I40-M73 HydrophobicContact CG2-SD 3.87Å; A60-M73 HydrophobicContact CB-CG 4.4Å; A60-M73 HydrophobicContact CB-SD 4.35Å; T61-M73 WeakPolarHBondContact O-CA 3.3Å; L62-M73 HydrophobicContact CD2-CB 3.75Å; L62-M73 HydrophobicContact CD2-CG 3.64Å; L62-M73 HydrophobicContact CD2-SD 4.04Å; M73-L75 HydrophobicContact CE-CD1 3.95Å; M73-L75 HydrophobicContact CE-CD2 4.39Å; M73-L75 HydrophobicContact CE-CG 4.09Å; M73-L75 HydrophobicContact CG-CD2 4.47Å; M73-L75 HydrophobicContact CG-CG 4.33Å; M73-L75 HydrophobicContact SD-CD2 4.22Å; M73-L75 HydrophobicContact SD-CG 4.4Å; M73-Y86 HydrophobicContact CE-CD1 3.64Å; M73-Y86 HydrophobicContact CE-CE1 4.16Å; M73-Y86 HydrophobicContact CE-CG 4.31Å
74	Q	98.1	Very high	96	Very high	82 Å²	82	51 Å²	51	38%	0.383	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	124.2	168.7	-178.9	173.1	-20.7	0	0	109	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.59Å; V10-Q74 VanDerWaalsContact O-CA 3.3Å; V10-Q74 WeakPolarHBondContact O-CA 3.45Å; A60-Q74 CarbonylContact C-O 3.41Å; A60-Q74 WeakPolarHBondContact CA-O 3.38Å; T61-Q74 PolarHBondContact N-O 2.86Å; T61-Q74 PolarHBondContact O-N 2.94Å
75	L	97	Very high	95.9	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	127.8	170.6	-68.4	169.1	0	0	0	108.7	S9 V10 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.54Å; S9-L75 WeakPolarHBondContact CA-O 3.37Å; S9-L75 WeakPolarHBondContact CB-O 3.12Å; V10-L75 HydrophobicContact CG1-CB 4.03Å; V10-L75 HydrophobicContact CG1-CD1 4.4Å; V10-L75 PolarHBondContact N-O 2.8Å; V10-L75 PolarHBondContact O-N 3.03Å; K59-L75 WeakPolarHBondContact O-CA 3.41Å; A60-L75 HydrophobicContact CB-CD2 3.86Å; M73-L75 HydrophobicContact CE-CD1 3.95Å; M73-L75 HydrophobicContact CE-CD2 4.39Å; M73-L75 HydrophobicContact CE-CG 4.09Å; M73-L75 HydrophobicContact CG-CD2 4.47Å; M73-L75 HydrophobicContact CG-CG 4.33Å; M73-L75 HydrophobicContact SD-CD2 4.22Å; M73-L75 HydrophobicContact SD-CG 4.4Å; L75-L78 HydrophobicContact CB-CD2 3.73Å; L75-L78 HydrophobicContact CD1-CD2 4.41Å; L75-Y86 HydrophobicContact CD1-CD1 4.26Å; L75-Y86 HydrophobicContact CD1-CE1 3.56Å; L75-Y86 HydrophobicContact CD1-CE2 4.25Å
76	S	95.8	Very high	95.9	Very high	31 Å²	31	53 Å²	53	22%	0.217	31%	0.313	C	S	.	.			trans	-107.4	158.6	-178.3	-57.1	0	0	0	0	111.6	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.46Å; K59-S76 WeakPolarHBondContact CG-O 3.47Å; K59-S76 PolarHBondContact O-N 3.37Å; S76-L78 PolarHBondContact O-N 2.84Å
77	S	94.8	Very high	95.9	Very high	84 Å²	84	53.1 Å²	53.1	59%	0.587	31%	0.312	S	S	*	.	S	Bend	trans	51.7	51.7	174	-56.4	0	0	0	0	112.9	S8	S8-S77 PolarHBondContact O-N 3.34Å
78	L	94.7	Very high	96	Very high	12 Å²	12	50.2 Å²	50.2	6%	0.063	29%	0.291	C	S	.	.			trans	-62.5	138.4	-172.4	-68.6	172	0	0	0	112.7	V4 P6 G7 S8 V10 L75 S76 D82	V4-L78 HydrophobicContact CB-CD1 4.15Å; V4-L78 HydrophobicContact CG2-CD1 3.41Å; V4-L78 VanDerWaalsContact CG2-CD1 3.41Å; P6-L78 CarbonylContact C-O 3.56Å; P6-L78 WeakPolarHBondContact CA-O 3.45Å; G7-L78 PolarHBondContact N-O 3.04Å; S8-L78 WeakPolarHBondContact O-CB 3.27Å; S8-L78 VanDerWaalsContact O-CG 3.32Å; S8-L78 WeakPolarHBondContact O-CG 3.48Å; S8-L78 PolarHBondContact O-N 3.42Å; V10-L78 HydrophobicContact CB-CD1 4.02Å; V10-L78 HydrophobicContact CG1-CD1 3.79Å; V10-L78 HydrophobicContact CG1-CD2 4.34Å; L75-L78 HydrophobicContact CB-CD2 3.73Å; L75-L78 HydrophobicContact CD1-CD2 4.41Å; S76-L78 PolarHBondContact O-N 2.84Å; L78-D82 WeakPolarHBondContact CA-OD2 3.45Å; L78-D82 HydrophobicContact CD2-CB 3.78Å
79	T	93.8	Very high	95.9	Very high	66 Å²	66	50.7 Å²	50.7	41%	0.405	30%	0.297	S	S	.	.			trans	-121.1	171.3	174.4	68.5	0	0	0	0	110.4	E81 D82	T79-E81 PolarHBondContact O-N 3Å; T79-E81 VanDerWaalsContact O-N 3.16Å; T79-E81 PolarHBondContact OG1-N 3.15Å; T79-D82 PolarHBondContact N-OD2 3.27Å; T79-D82 WeakPolarHBondContact O-CB 3.32Å; T79-D82 PolarHBondContact O-N 3.41Å; T79-D82 PolarHBondContact OG1-OD2 2.8Å
80	S	91.3	Very high	95.7	Very high	107 Å²	107	53.7 Å²	53.7	75%	0.748	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-56.9	-29.4	175	51.9	0	0	0	0	112.5	D82 S83	S80-D82 PolarHBondContact O-N 2.98Å; S80-S83 WeakPolarHBondContact O-CB 3.37Å; S80-S83 PolarHBondContact O-N 2.78Å
81	E	90.4	Very high	95.1	Very high	126 Å²	126	57.9 Å²	57.9	59%	0.589	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-66.9	-16.8	176	-65.5	-174.5	-175	0	0	113.5	K30 R32 T79 S83	K30-E81 WeakPolarHBondContact CE-O 3.33Å; K30-E81 PolarHBondContact NZ-O 2.92Å; R32-E81 VanDerWaalsContact CZ-O 3.23Å; R32-E81 PolarHBondContact NE-O 3.43Å; R32-E81 PolarHBondContact NH2-O 3.18Å; T79-E81 PolarHBondContact O-N 3Å; T79-E81 VanDerWaalsContact O-N 3.16Å; T79-E81 PolarHBondContact OG1-N 3.15Å; E81-S83 VanDerWaalsContact C-N 3.33Å
82	D	93.3	Very high	93.7	Very high	10 Å²	10	62.8 Å²	62.8	5%	0.053	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-86.5	-5.8	176.1	-56.1	-48	0	0	0	113.4	K30 K59 L78 T79 S80 A84 Y86	K30-D82 IonicContact NZ-OD1 3.24Å; K30-D82 PolarHBondContact NZ-OD1 2.63Å; K59-D82 VanDerWaalsContact CE-CG 3.47Å; K59-D82 WeakPolarHBondContact CE-OD1 3.28Å; K59-D82 WeakPolarHBondContact CE-OD2 3.46Å; K59-D82 IonicContact NZ-OD1 3.78Å; K59-D82 PolarHBondContact NZ-OD1 2.85Å; K59-D82 IonicContact NZ-OD2 3.37Å; K59-D82 PolarHBondContact NZ-OD2 3.02Å; L78-D82 WeakPolarHBondContact CA-OD2 3.45Å; L78-D82 HydrophobicContact CD2-CB 3.78Å; T79-D82 PolarHBondContact N-OD2 3.27Å; T79-D82 WeakPolarHBondContact O-CB 3.32Å; T79-D82 PolarHBondContact O-N 3.41Å; T79-D82 PolarHBondContact OG1-OD2 2.8Å; S80-D82 PolarHBondContact O-N 2.98Å; D82-A84 PolarHBondContact O-N 2.87Å; D82-Y86 WeakPolarHBondContact O-CE2 3.49Å; D82-Y86 PolarHBondContact O-OH 2.65Å
83	S	94	Very high	91.8	Very high	95 Å²	95	65.7 Å²	65.7	66%	0.664	36%	0.359	S	S	*	.			trans	-65.8	108.7	172.3	-168.6	0	0	0	0	109.7	S80 E81	S80-S83 WeakPolarHBondContact O-CB 3.37Å; S80-S83 PolarHBondContact O-N 2.78Å; E81-S83 VanDerWaalsContact C-N 3.33Å
84	A	95.4	Very high	89.7	Confident	28 Å²	28	77.5 Å²	77.5	23%	0.231	40%	0.404	C	S	.	.	S	Bend	trans	-164.3	168.2	-172.2	0	0	0	0	0	110.1	K30 Q31 R32 D82 Y86	K30-A84 HydrophobicContact CD-CB 4.2Å; K30-A84 HydrophobicContact CG-CB 3.51Å; Q31-A84 WeakPolarHBondContact O-CB 3.27Å; R32-A84 HydrophobicContact CG-CB 4.11Å; D82-A84 PolarHBondContact O-N 2.87Å; A84-Y86 HydrophobicContact CB-CD2 4.5Å; A84-Y86 HydrophobicContact CB-CE2 3.93Å
85	V	96.7	Very high	87	Confident	75 Å²	75	80.1 Å²	80.1	46%	0.455	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	135.2	161.3	-173.2	0	0	0	0	108.1	Q31 Y87	Q31-V85 PolarHBondContact N-O 2.75Å; Q31-V85 PolarHBondContact O-N 2.84Å; V85-Y87 HydrophobicContact CB-CE2 4.01Å; V85-Y87 HydrophobicContact CG1-CD1 4.42Å; V85-Y87 HydrophobicContact CG1-CD2 4.34Å; V85-Y87 HydrophobicContact CG1-CE1 3.75Å; V85-Y87 HydrophobicContact CG1-CE2 3.67Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.24Å
86	Y	97.4	Very high	86.4	Confident	50 Å²	50	84.1 Å²	84.1	20%	0.196	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	132.7	177.2	-67.3	-90.4	0	0	0	109.4	L12 V29 K30 I40 M73 L75 D82 A84	L12-Y86 HydrophobicContact CD1-CD1 4.31Å; L12-Y86 HydrophobicContact CD1-CD2 4.06Å; L12-Y86 HydrophobicContact CD1-CG 3.75Å; V29-Y86 CarbonylContact O-C 3.56Å; V29-Y86 WeakPolarHBondContact O-CA 3.43Å; K30-Y86 HydrophobicContact CB-CD1 4.13Å; K30-Y86 HydrophobicContact CB-CE1 3.89Å; K30-Y86 HydrophobicContact CD-CE1 4Å; K30-Y86 HydrophobicContact CG-CD1 4.32Å; K30-Y86 HydrophobicContact CG-CE1 3.76Å; I40-Y86 HydrophobicContact CD1-CD1 3.79Å; I40-Y86 HydrophobicContact CD1-CE1 3.86Å; M73-Y86 HydrophobicContact CE-CD1 3.64Å; M73-Y86 HydrophobicContact CE-CE1 4.16Å; M73-Y86 HydrophobicContact CE-CG 4.31Å; L75-Y86 HydrophobicContact CD1-CD1 4.26Å; L75-Y86 HydrophobicContact CD1-CE1 3.56Å; L75-Y86 HydrophobicContact CD1-CE2 4.25Å; D82-Y86 WeakPolarHBondContact O-CE2 3.49Å; D82-Y86 PolarHBondContact O-OH 2.65Å; A84-Y86 HydrophobicContact CB-CD2 4.5Å; A84-Y86 HydrophobicContact CB-CE2 3.93Å
87	Y	97.3	Very high	86	Confident	105 Å²	105	86.9 Å²	86.9	41%	0.412	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	144.5	178.6	-56	-83.3	0	0	0	109.6	W28 V29 Q31 V85	W28-Y87 WeakPolarHBondContact CA-O 2.99Å; V29-Y87 PolarHBondContact N-O 3.44Å; V29-Y87 PolarHBondContact O-N 3.11Å; Q31-Y87 HydrophobicContact CB-CD2 4.38Å; Q31-Y87 HydrophobicContact CB-CE2 3.73Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.25Å; Q31-Y87 PolarHBondContact OE1-OH 2.98Å; V85-Y87 HydrophobicContact CB-CE2 4.01Å; V85-Y87 HydrophobicContact CG1-CD1 4.42Å; V85-Y87 HydrophobicContact CG1-CD2 4.34Å; V85-Y87 HydrophobicContact CG1-CE1 3.75Å; V85-Y87 HydrophobicContact CG1-CE2 3.67Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.24Å
88	C	96.9	Very high	85.5	Confident	49 Å²	49	87.1 Å²	87.1	33%	0.331	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	143	159.7	61.6	0	0	0	0	109.1	C14 M26 D27 W28	C14-C88 HydrophobicContact CB-CB 3.47Å; C14-C88 VanDerWaalsContact CB-CB 3.47Å; C14-C88 WeakPolarHBondContact CB-SG 3.4Å; C14-C88 WeakPolarHBondContact SG-CB 3.38Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.39Å; M26-C88 HydrophobicContact CG-CB 4.41Å; M26-C88 HydrophobicContact SD-CB 3.88Å; D27-C88 CarbonylContact O-C 3.58Å; D27-C88 WeakPolarHBondContact O-CA 3.3Å; W28-C88 HydrophobicContact CD2-CB 4.42Å; W28-C88 HydrophobicContact CE3-CB 4.26Å; W28-C88 HydrophobicContact CH2-CB 4.36Å; W28-C88 HydrophobicContact CZ2-CB 4.49Å; W28-C88 HydrophobicContact CZ3-CB 4.23Å
89	A	95.5	Very high	84.9	Confident	45 Å²	45	91.5 Å²	91.5	37%	0.372	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	135.6	179.1	0	0	0	0	0	110.7	D27 K91	D27-A89 HydrophobicContact CB-CB 4.49Å; D27-A89 PolarHBondContact N-O 3.1Å; D27-A89 PolarHBondContact O-N 3.34Å; A89-K91 PolarHBondContact O-N 3.44Å
90	R	94.4	Very high	84.4	Confident	101 Å²	101	93.1 Å²	93.1	38%	0.381	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	118.1	168.7	-178.5	-173.2	68.7	-177.1	-0.6	108.6	Y19 Y24 M92	Y19-R90 HydrophobicContact CE2-CG 4.16Å; Y24-R90 HydrophobicContact CD1-CG 3.92Å; Y24-R90 HydrophobicContact CG-CG 3.77Å; R90-M92 VanDerWaalsContact NH2-CE 3.34Å
91	K	84.8	Confident	83.9	Confident	96 Å²	96	92.1 Å²	92.1	42%	0.417	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	124.4	170.4	-160	178.3	175.5	176.1	0	109.5	W25 D27 A89	W25-K91 HydrophobicContact CB-CB 4.01Å; W25-K91 PolarHBondContact O-N 2.6Å; D27-K91 VanDerWaalsContact OD2-CB 3.3Å; D27-K91 WeakPolarHBondContact OD2-CB 2.97Å; D27-K91 WeakPolarHBondContact OD2-CD 3.22Å; A89-K91 PolarHBondContact O-N 3.44Å
92	M	69.4	Low	83.4	Confident	104 Å²	104	89.7 Å²	89.7	51%	0.512	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-71.4	130.1	163.4	-66.8	-163.2	177.5	0	0	108.1	Y24 R90 W94	Y24-M92 HydrophobicContact CE1-CG 4.39Å; R90-M92 VanDerWaalsContact NH2-CE 3.34Å; M92-W94 PolarHBondContact O-N 3.43Å
93	H	58.3	Low	82.7	Confident	113 Å²	113	95.8 Å²	95.8	52%	0.523	53%	0.527	S	S	.	.			trans	-56.5	111.3	165.5	-100	-80.9	0	0	0	107.3	W25 Y44 G95	W25-H93 AromaticContact CD1-CD2 3.73Å; W25-H93 AromaticContact CD1-CE1 3.84Å; W25-H93 AromaticContact CD1-NE2 3.25Å; W25-H93 AromaticContact NE1-CD2 3.95Å; W25-H93 AromaticContact NE1-CE1 3.37Å; W25-H93 PolarHBondContact NE1-CE1 3.46Å; W25-H93 AromaticContact NE1-NE2 2.99Å; W25-H93 PolarHBondContact NE1-NE2 2.63Å; Y44-H93 AromaticContact CE2-NE2 3.98Å; H93-G95 PolarHBondContact O-N 2.96Å; H93-G95 VanDerWaalsContact O-N 3.15Å
94	W	54.3	Low	81.8	Confident	247 Å²	247	95.9 Å²	95.9	94%	0.936	52%	0.516	S	S	*	.			trans	-80.5	84.3	159.3	-66.8	95.6	0	0	0	105.7	M92	M92-W94 PolarHBondContact O-N 3.43Å
95	G	40.6	Very low	80.5	Confident	138 Å²	138	102.1 Å²	102.1	100%	1.423	54%	0.542	S	S	*	.			trans	-122.8	0	167	0	0	0	0	0	107.6	H93	H93-G95 PolarHBondContact O-N 2.96Å; H93-G95 VanDerWaalsContact O-N 3.15Å

Retrieved 95 of 95 residues in 40.5 ms (Link to these results)

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