X5J5A1_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5A1, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 114 aa.

						>X5J5A1_MOUSE|X5J5A1
AELVRPGTSVKLSCKASGYTFTSYWMHWVKQRPGQGLEWIGVIDPSDSYTNYNQKFKGKATLTVDTSSSTAYMQLSSLTSEDSAVYYCARESGLLRDYAMDYWGQGTSVTVSSE
					

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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	80.6	Confident	94.1	Very high	117 Å²	117	79.6 Å²	79.6	97%	0.967	46%	0.458	S	S	*	.				0	141.6	0	0	0	0	0	0	107.8	S108	A1-S108 CarbonylContact C-O 3.57Å; A1-S108 WeakPolarHBondContact CA-O 3.29Å
2	E	89.1	Confident	94.4	Very high	73 Å²	73	73.7 Å²	73.7	34%	0.341	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	125.9	-174.7	-155.9	172	151.7	0	0	110	V4 V10 S108 V109 T110	E2-V4 HydrophobicContact CG-CG1 3.79Å; E2-V10 HydrophobicContact CG-CG2 4.49Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.42Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.15Å; E2-S108 PolarHBondContact N-O 3.01Å; E2-V109 HydrophobicContact CB-CG2 4.46Å; E2-V109 CarbonylContact O-C 3.51Å; E2-V109 WeakPolarHBondContact O-CA 3.49Å; E2-T110 PolarHBondContact O-N 3.27Å
3	L	94.6	Very high	94.7	Very high	128 Å²	128	73.8 Å²	73.8	67%	0.67	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.3	120.9	173.9	178.6	65.4	0	0	0	108	T110	L3-T110 WeakPolarHBondContact CA-O 3.3Å; L3-T110 HydrophobicContact CD1-CG2 3.85Å
4	V	95.4	Very high	94.8	Very high	17 Å²	17	69.7 Å²	69.7	10%	0.103	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	155.4	-173.5	-59.6	0	0	0	0	111.1	E2 L78 V109 T110 V111 S112	E2-V4 HydrophobicContact CG-CG1 3.79Å; V4-L78 HydrophobicContact CB-CD1 4.44Å; V4-L78 HydrophobicContact CG2-CD1 3.45Å; V4-L78 VanDerWaalsContact CG2-CD1 3.45Å; V4-V109 HydrophobicContact CG2-CG1 4.08Å; V4-T110 PolarHBondContact N-O 3.49Å; V4-V111 HydrophobicContact CG2-CB 4.37Å; V4-V111 HydrophobicContact CG2-CG1 4.43Å; V4-V111 HydrophobicContact CG2-CG2 3.82Å; V4-V111 CarbonylContact O-C 3.44Å; V4-V111 VanDerWaalsContact O-CA 3.3Å; V4-V111 WeakPolarHBondContact O-CA 3.25Å; V4-S112 PolarHBondContact O-N 3.01Å
5	R	95.9	Very high	94.9	Very high	185 Å²	185	75.5 Å²	75.5	70%	0.698	43%	0.427	S	S	*	.			trans	-85	151.3	177.5	-68.7	-178.2	178.1	175.1	-0.2	111.3	T8	R5-T8 HydrophobicContact CB-CG2 4.09Å; R5-T8 WeakPolarHBondContact O-CB 3.44Å; R5-T8 WeakPolarHBondContact O-CG2 3.29Å; R5-T8 PolarHBondContact O-N 3.01Å; R5-T8 PolarHBondContact O-OG1 2.8Å
6	P	96.9	Very high	94.8	Very high	66 Å²	66	71.4 Å²	71.4	43%	0.429	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	143.8	171.2	-25.6	33.5	0	0	0	112.4	T8 L78 V111 S112	P6-T8 PolarHBondContact O-N 3.25Å; P6-L78 CarbonylContact C-O 3.58Å; P6-L78 WeakPolarHBondContact CA-O 3.34Å; P6-V111 HydrophobicContact CB-CG1 4.38Å; P6-V111 HydrophobicContact CG-CG1 4.1Å; P6-S112 WeakPolarHBondContact CD-O 3.49Å
7	G	95.6	Very high	94.7	Very high	52 Å²	52	73.2 Å²	73.2	54%	0.536	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	-13	-178.9	0	0	0	0	0	115	L78	G7-L78 PolarHBondContact N-O 2.94Å
8	T	95.9	Very high	94.5	Very high	56 Å²	56	74.1 Å²	74.1	34%	0.344	45%	0.451	S	S	.	.			trans	-76.3	170.4	176.1	66.5	0	0	0	0	111.9	R5 P6 S77 L78	R5-T8 HydrophobicContact CB-CG2 4.09Å; R5-T8 WeakPolarHBondContact O-CB 3.44Å; R5-T8 WeakPolarHBondContact O-CG2 3.29Å; R5-T8 PolarHBondContact O-N 3.01Å; R5-T8 PolarHBondContact O-OG1 2.8Å; P6-T8 PolarHBondContact O-N 3.25Å; T8-S77 PolarHBondContact O-N 2.81Å; T8-L78 WeakPolarHBondContact O-CB 3.37Å; T8-L78 WeakPolarHBondContact O-CG 3.39Å; T8-L78 PolarHBondContact O-N 2.86Å
9	S	96.7	Very high	94.2	Very high	60 Å²	60	73.2 Å²	73.2	42%	0.42	44%	0.439	S	S	.	.			trans	-117.7	146.5	174.3	-53.3	0	0	0	0	109.8	L75 S76	S9-L75 CarbonylContact C-O 3.52Å; S9-L75 WeakPolarHBondContact CA-O 3.01Å; S9-L75 VanDerWaalsContact CB-O 3.3Å; S9-L75 WeakPolarHBondContact CB-O 2.99Å; S9-S76 WeakPolarHBondContact OG-CA 3.4Å
10	V	97	Very high	94.1	Very high	3 Å²	3	73.8 Å²	73.8	2%	0.018	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	145.2	175.6	62.2	0	0	0	0	110	E2 L12 Q74 L75 L78 V109	E2-V10 HydrophobicContact CG-CG2 4.49Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.42Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.15Å; V10-L12 HydrophobicContact CG2-CD2 3.75Å; V10-L12 HydrophobicContact CG2-CG 4.27Å; V10-Q74 CarbonylContact O-C 3.54Å; V10-Q74 VanDerWaalsContact O-CA 3.27Å; V10-Q74 WeakPolarHBondContact O-CA 3.34Å; V10-L75 HydrophobicContact CG1-CB 3.86Å; V10-L75 HydrophobicContact CG1-CD1 4.07Å; V10-L75 HydrophobicContact CG1-CG 4.4Å; V10-L75 PolarHBondContact N-O 3.03Å; V10-L75 PolarHBondContact O-N 2.85Å; V10-L78 HydrophobicContact CB-CD1 4.11Å; V10-L78 HydrophobicContact CG1-CD1 3.74Å; V10-L78 HydrophobicContact CG1-CD2 4.41Å; V10-V109 HydrophobicContact CG1-CG1 4.48Å
11	K	97.6	Very high	94.1	Very high	119 Å²	119	70.6 Å²	70.6	52%	0.517	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	110	171.5	-173	178.2	-179.1	-178.8	0	109.9	Y72	K11-Y72 HydrophobicContact CD-CD1 4.4Å; K11-Y72 VanDerWaalsContact CE-CD1 3.43Å; K11-Y72 HydrophobicContact CG-CD1 4.39Å
12	L	97.9	Very high	94.7	Very high	8 Å²	8	67.8 Å²	67.8	4%	0.042	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	148.2	174.6	-56.4	-177.7	0	0	0	110.1	V10 W28 Y72 M73 Y86 T107 V109	V10-L12 HydrophobicContact CG2-CD2 3.75Å; V10-L12 HydrophobicContact CG2-CG 4.27Å; L12-W28 HydrophobicContact CB-CH2 3.99Å; L12-W28 HydrophobicContact CB-CZ3 3.89Å; L12-W28 HydrophobicContact CD1-CZ3 4.46Å; L12-Y72 CarbonylContact O-C 3.57Å; L12-Y72 WeakPolarHBondContact O-CA 3.44Å; L12-M73 HydrophobicContact CD1-CE 3.72Å; L12-M73 PolarHBondContact N-O 2.82Å; L12-M73 PolarHBondContact O-N 2.97Å; L12-Y86 HydrophobicContact CD1-CD1 4.47Å; L12-Y86 HydrophobicContact CD1-CD2 4.12Å; L12-Y86 HydrophobicContact CD1-CG 3.78Å; L12-T107 HydrophobicContact CD2-CG2 4Å; L12-V109 HydrophobicContact CD1-CG2 4.19Å; L12-V109 HydrophobicContact CD2-CG2 3.95Å
13	S	97.4	Very high	94.8	Very high	76 Å²	76	66.2 Å²	66.2	53%	0.531	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	148.5	177.4	64.7	0	0	0	0	111.5	A71 Y72	S13-A71 CarbonylContact C-O 3.59Å; S13-A71 WeakPolarHBondContact CA-O 3.41Å; S13-Y72 VanDerWaalsContact CB-CD1 3.5Å; S13-Y72 VanDerWaalsContact CB-CE1 3.47Å
14	C	97.1	Very high	94.6	Very high	16 Å²	16	62.6 Å²	62.6	11%	0.108	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	106.6	174.1	179.7	0	0	0	0	108.5	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.92Å; C14-W28 HydrophobicContact CB-CZ2 3.99Å; C14-T70 WeakPolarHBondContact O-CA 3.41Å; C14-A71 PolarHBondContact N-O 2.94Å; C14-A71 PolarHBondContact O-N 2.65Å; C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 3.27Å; C14-C88 WeakPolarHBondContact SG-CB 3.4Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.83Å
15	K	96.4	Very high	94.5	Very high	157 Å²	157	65.9 Å²	65.9	68%	0.683	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	124.9	-179.1	-174.4	171.8	-176.2	177.1	0	110.3	T70	K15-T70 HydrophobicContact CB-CG2 4.47Å
16	A	93.6	Very high	94.5	Very high	9 Å²	9	57.2 Å²	57.2	7%	0.074	35%	0.347	C	S	.	.			trans	-78.6	145.8	173.5	0	0	0	0	0	111.5	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 3.89Å; A16-Y19 HydrophobicContact CB-CE2 3.95Å; A16-Y19 WeakPolarHBondContact CB-OH 3.34Å; A16-F21 HydrophobicContact CB-CB 4.16Å; A16-F21 HydrophobicContact CB-CD2 3.35Å; A16-F21 HydrophobicContact CB-CE2 4Å; A16-F21 HydrophobicContact CB-CG 4Å; A16-S69 WeakPolarHBondContact CB-O 3.45Å; A16-S69 PolarHBondContact N-O 3.07Å
17	S	92.1	Very high	94.5	Very high	102 Å²	102	54.5 Å²	54.5	71%	0.713	33%	0.329	S	S	*	.			trans	-148.2	143.7	175.3	60.2	0	0	0	0	110.4	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.25Å; S17-Y19 WeakPolarHBondContact O-CE1 3.39Å
18	G	90.7	Very high	94.7	Very high	89 Å²	89	52.3 Å²	52.3	92%	0.918	30%	0.304	S	S	*	.	S	Bend	trans	79.8	14	174.9	0	0	0	0	0	116
19	Y	88.9	Confident	94.8	Very high	57 Å²	57	49.8 Å²	49.8	22%	0.224	29%	0.289	C	S	.	.	S	Bend	trans	-158	165.8	175.3	61.3	-86	0	0	0	112.2	A16 S17 F21 Y24 R90	A16-Y19 HydrophobicContact CB-CE1 3.89Å; A16-Y19 HydrophobicContact CB-CE2 3.95Å; A16-Y19 WeakPolarHBondContact CB-OH 3.34Å; S17-Y19 WeakPolarHBondContact O-CD1 3.25Å; S17-Y19 WeakPolarHBondContact O-CE1 3.39Å; Y19-F21 HydrophobicContact CE2-CD2 4.33Å; Y19-F21 PolarHBondContact O-N 3.21Å; Y19-F21 VanDerWaalsContact O-N 3.12Å; Y19-Y24 AromaticContact CD2-CD2 3.38Å; Y19-Y24 HydrophobicContact CD2-CD2 3.38Å; Y19-Y24 AromaticContact CD2-CE2 3.64Å; Y19-Y24 HydrophobicContact CD2-CE2 3.64Å; Y19-Y24 HydrophobicContact CD2-CG 4.16Å; Y19-Y24 AromaticContact CE2-CD2 3.8Å; Y19-Y24 HydrophobicContact CE2-CD2 3.8Å; Y19-Y24 HydrophobicContact CE2-CE2 4.45Å; Y19-Y24 HydrophobicContact CE2-CG 4.17Å; Y19-Y24 HydrophobicContact CG-CD2 4.35Å; Y19-Y24 HydrophobicContact CG-CE2 4.21Å; Y19-R90 VanDerWaalsContact CE2-CD 3.47Å; Y19-R90 HydrophobicContact CE2-CG 4.38Å
20	T	92.5	Very high	94.8	Very high	86 Å²	86	47 Å²	47	53%	0.528	27%	0.269	S	S	.	.			trans	-70.5	101.5	171.8	-53.8	0	0	0	0	109.8	T22 S23 Y24	T20-T22 PolarHBondContact O-N 2.96Å; T20-T22 VanDerWaalsContact O-N 3.16Å; T20-S23 WeakPolarHBondContact CG2-OG 3.3Å; T20-S23 PolarHBondContact O-N 2.91Å; T20-Y24 WeakPolarHBondContact O-CD2 3.2Å
21	F	93.4	Very high	94.8	Very high	7 Å²	7	49.9 Å²	49.9	3%	0.031	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-54	-37.7	-173.3	178.5	-126.1	0	0	0	113.8	A16 Y19 S23 Y24 M26 P45 V64 A71	A16-F21 HydrophobicContact CB-CB 4.16Å; A16-F21 HydrophobicContact CB-CD2 3.35Å; A16-F21 HydrophobicContact CB-CE2 4Å; A16-F21 HydrophobicContact CB-CG 4Å; Y19-F21 HydrophobicContact CE2-CD2 4.33Å; Y19-F21 PolarHBondContact O-N 3.21Å; Y19-F21 VanDerWaalsContact O-N 3.12Å; F21-S23 PolarHBondContact O-N 3.24Å; F21-Y24 PolarHBondContact O-N 2.86Å; F21-M26 HydrophobicContact CE2-CE 4.07Å; F21-P45 HydrophobicContact CD1-CB 3.83Å; F21-P45 HydrophobicContact CD1-CG 4.28Å; F21-P45 HydrophobicContact CD2-CG 4.26Å; F21-P45 HydrophobicContact CE1-CB 3.55Å; F21-P45 HydrophobicContact CE1-CG 3.89Å; F21-P45 HydrophobicContact CE2-CB 4.42Å; F21-P45 HydrophobicContact CE2-CG 3.86Å; F21-P45 HydrophobicContact CG-CB 4.4Å; F21-P45 HydrophobicContact CG-CG 4.47Å; F21-P45 HydrophobicContact CZ-CB 3.87Å; F21-P45 HydrophobicContact CZ-CG 3.66Å; F21-V64 HydrophobicContact CE1-CB 4.33Å; F21-V64 HydrophobicContact CE1-CG1 4.28Å; F21-V64 HydrophobicContact CZ-CG1 4.09Å; F21-A71 HydrophobicContact CE2-CB 4.5Å; F21-A71 HydrophobicContact CZ-CB 4.04Å
22	T	93.6	Very high	94.8	Very high	58 Å²	58	46.9 Å²	46.9	36%	0.356	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-74.6	-3.9	-179.5	54.5	0	0	0	0	114.8	T20 P45 S46 T66	T20-T22 PolarHBondContact O-N 2.96Å; T20-T22 VanDerWaalsContact O-N 3.16Å; T22-P45 HydrophobicContact CG2-CB 4.49Å; T22-S46 WeakPolarHBondContact O-CB 3.33Å; T22-T66 HydrophobicContact CG2-CG2 3.92Å
23	S	91.2	Very high	94.5	Very high	40 Å²	40	52.3 Å²	52.3	28%	0.28	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-92.6	1.7	177	-55.2	0	0	0	0	113.6	T20 F21	T20-S23 WeakPolarHBondContact CG2-OG 3.3Å; T20-S23 PolarHBondContact O-N 2.91Å; F21-S23 PolarHBondContact O-N 3.24Å
24	Y	91	Very high	94.3	Very high	52 Å²	52	53.1 Å²	53.1	20%	0.204	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	142.8	-171.4	-64	-94.7	0	0	0	111.5	Y19 T20 F21 P45 R90 E91	Y19-Y24 AromaticContact CD2-CD2 3.38Å; Y19-Y24 HydrophobicContact CD2-CD2 3.38Å; Y19-Y24 AromaticContact CD2-CE2 3.64Å; Y19-Y24 HydrophobicContact CD2-CE2 3.64Å; Y19-Y24 HydrophobicContact CD2-CG 4.16Å; Y19-Y24 AromaticContact CE2-CD2 3.8Å; Y19-Y24 HydrophobicContact CE2-CD2 3.8Å; Y19-Y24 HydrophobicContact CE2-CE2 4.45Å; Y19-Y24 HydrophobicContact CE2-CG 4.17Å; Y19-Y24 HydrophobicContact CG-CD2 4.35Å; Y19-Y24 HydrophobicContact CG-CE2 4.21Å; T20-Y24 WeakPolarHBondContact O-CD2 3.2Å; F21-Y24 PolarHBondContact O-N 2.86Å; Y24-P45 WeakPolarHBondContact O-CD 3.15Å; Y24-P45 WeakPolarHBondContact O-CG 3.4Å; Y24-R90 HydrophobicContact CD1-CG 3.61Å; Y24-R90 HydrophobicContact CG-CG 3.74Å; Y24-E91 WeakPolarHBondContact CA-O 3.3Å; Y24-E91 WeakPolarHBondContact CB-O 3.44Å; Y24-E91 WeakPolarHBondContact CD1-O 3.09Å
25	W	93.8	Very high	94.2	Very high	86 Å²	86	56.9 Å²	56.9	33%	0.326	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	142.8	173.5	-69.4	8.6	0	0	0	110.2	V42 D44 R90 E91	W25-V42 HydrophobicContact CB-CG2 3.71Å; W25-V42 HydrophobicContact CD2-CG2 4.42Å; W25-V42 HydrophobicContact CE3-CG2 4.08Å; W25-V42 HydrophobicContact CG-CG2 4.34Å; W25-D44 VanDerWaalsContact NE1-CG 3.25Å; W25-D44 PolarHBondContact NE1-OD2 3.07Å; W25-R90 WeakPolarHBondContact O-CA 3.45Å; W25-E91 HydrophobicContact CB-CB 4.27Å; W25-E91 PolarHBondContact N-O 3.16Å; W25-E91 PolarHBondContact O-N 3.01Å
26	M	96.1	Very high	94.1	Very high	3 Å²	3	52 Å²	52	2%	0.015	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	111.5	-179.4	-169.5	58.6	60.5	0	0	110.7	F21 V42 I43 A71 C88 A89 R90	F21-M26 HydrophobicContact CE2-CE 4.07Å; M26-V42 WeakPolarHBondContact O-CA 3.23Å; M26-I43 HydrophobicContact CB-CG2 4.03Å; M26-I43 PolarHBondContact N-O 2.99Å; M26-I43 PolarHBondContact O-N 3.2Å; M26-A71 HydrophobicContact CB-CB 4.18Å; M26-A71 HydrophobicContact CG-CB 3.61Å; M26-C88 HydrophobicContact SD-CB 3.79Å; M26-A89 VanDerWaalsContact SD-O 3.4Å; M26-R90 HydrophobicContact CE-CB 4.41Å
27	H	97	Very high	94.2	Very high	9 Å²	9	56.1 Å²	56.1	4%	0.042	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	148.6	179	-59.6	-103.4	0	0	0	110.5	W39 G41 V42 C88 A89 E91 M100	H27-W39 AromaticContact CG-NE1 3.93Å; H27-W39 AromaticContact ND1-NE1 3.2Å; H27-W39 PolarHBondContact ND1-NE1 2.91Å; H27-G41 WeakPolarHBondContact CA-O 3.22Å; H27-V42 WeakPolarHBondContact CE1-CG2 3.19Å; H27-V42 WeakPolarHBondContact NE2-CG2 3Å; H27-C88 CarbonylContact O-C 3.55Å; H27-C88 WeakPolarHBondContact O-CA 3.33Å; H27-A89 HydrophobicContact CB-CB 4.45Å; H27-A89 PolarHBondContact N-O 3.27Å; H27-A89 PolarHBondContact O-N 3.48Å; H27-E91 IonicContact CE1-OE2 3.12Å; H27-E91 PolarHBondContact CE1-OE2 3.31Å; H27-E91 WeakPolarHBondContact NE2-CB 3.49Å; H27-E91 IonicContact NE2-OE2 2.83Å; H27-E91 PolarHBondContact NE2-OE2 3.04Å; H27-M100 HydrophobicContact CB-CE 3.87Å; H27-M100 HydrophobicContact CB-SD 3.92Å; H27-M100 VanDerWaalsContact CG-CE 3.45Å; H27-M100 WeakPolarHBondContact ND1-CE 3.42Å
28	W	98.1	Very high	94.4	Very high	5 Å²	5	52.7 Å²	52.7	2%	0.019	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	136	170.4	-70.3	88.2	0	0	0	110.1	L12 C14 I40 G41 L62 A71 M73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 3.99Å; L12-W28 HydrophobicContact CB-CZ3 3.89Å; L12-W28 HydrophobicContact CD1-CZ3 4.46Å; C14-W28 HydrophobicContact CB-CH2 3.92Å; C14-W28 HydrophobicContact CB-CZ2 3.99Å; W28-I40 HydrophobicContact CB-CB 4.14Å; W28-I40 HydrophobicContact CB-CD1 4.27Å; W28-I40 WeakPolarHBondContact O-CB 3.19Å; W28-I40 PolarHBondContact O-N 3.17Å; W28-G41 PolarHBondContact N-O 2.9Å; W28-L62 HydrophobicContact CB-CD2 4.46Å; W28-L62 VanDerWaalsContact CD1-CD2 3.49Å; W28-L62 HydrophobicContact CG-CD2 3.98Å; W28-A71 HydrophobicContact CZ2-CB 4.36Å; W28-M73 HydrophobicContact CB-SD 3.88Å; W28-M73 HydrophobicContact CD2-CB 3.6Å; W28-M73 HydrophobicContact CD2-CE 4.27Å; W28-M73 HydrophobicContact CD2-CG 4.42Å; W28-M73 HydrophobicContact CD2-SD 4.09Å; W28-M73 HydrophobicContact CE3-CB 3.86Å; W28-M73 HydrophobicContact CE3-CE 3.68Å; W28-M73 HydrophobicContact CE3-SD 4.11Å; W28-M73 HydrophobicContact CG-CB 4.11Å; W28-M73 HydrophobicContact CG-SD 4.02Å; W28-M73 HydrophobicContact CH2-CB 4.08Å; W28-M73 HydrophobicContact CZ2-CB 3.87Å; W28-M73 HydrophobicContact CZ3-CB 4.08Å; W28-M73 HydrophobicContact CZ3-CE 4.18Å; W28-Y87 WeakPolarHBondContact CA-O 3.4Å; W28-C88 HydrophobicContact CE3-CB 4.42Å; W28-C88 HydrophobicContact CH2-CB 4.5Å; W28-C88 HydrophobicContact CZ3-CB 4.41Å
29	V	98	Very high	94.7	Very high	3 Å²	3	51.9 Å²	51.9	2%	0.018	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	135.5	-172.8	-176.7	0	0	0	0	109.5	L37 E38 Y86 Y87 W103	V29-L37 HydrophobicContact CG1-CB 3.77Å; V29-L37 HydrophobicContact CG1-CD2 3.93Å; V29-L37 HydrophobicContact CG1-CG 4.32Å; V29-E38 WeakPolarHBondContact CA-O 3.45Å; V29-Y86 CarbonylContact O-C 3.58Å; V29-Y86 WeakPolarHBondContact O-CA 3.33Å; V29-Y87 PolarHBondContact N-O 2.83Å; V29-Y87 PolarHBondContact O-N 3.21Å; V29-W103 HydrophobicContact CB-CH2 4.12Å; V29-W103 HydrophobicContact CB-CZ3 3.83Å; V29-W103 HydrophobicContact CG1-CH2 4.08Å; V29-W103 HydrophobicContact CG1-CZ3 4Å; V29-W103 HydrophobicContact CG2-CH2 3.73Å; V29-W103 HydrophobicContact CG2-CZ3 3.85Å
30	K	97.5	Very high	95.2	Very high	1 Å²	1	49.1 Å²	49.1	0%	0.004	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	139.8	176.2	-178.1	178.2	-179.7	178.7	0	109.8	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.4Å; K30-E38 PolarHBondContact N-O 3.15Å; K30-E38 PolarHBondContact O-N 2.98Å; K30-I40 HydrophobicContact CB-CD1 3.98Å; K30-I40 HydrophobicContact CB-CG1 4.14Å; K30-F56 HydrophobicContact CB-CZ 4.41Å; K30-F56 HydrophobicContact CD-CE1 3.9Å; K30-F56 HydrophobicContact CD-CZ 3.97Å; K30-E81 PolarHBondContact NZ-O 2.78Å; K30-D82 IonicContact NZ-OD1 2.96Å; K30-D82 PolarHBondContact NZ-OD1 3.12Å; K30-A84 HydrophobicContact CD-CB 4.2Å; K30-A84 HydrophobicContact CG-CB 3.53Å; K30-Y86 HydrophobicContact CB-CD1 4.12Å; K30-Y86 HydrophobicContact CB-CE1 3.88Å; K30-Y86 HydrophobicContact CD-CE1 3.9Å; K30-Y86 WeakPolarHBondContact CE-OH 3.43Å; K30-Y86 HydrophobicContact CG-CD1 4.28Å; K30-Y86 HydrophobicContact CG-CE1 3.71Å
31	Q	97.7	Very high	95.4	Very high	65 Å²	65	45 Å²	45	30%	0.304	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	114.3	170.9	-168	-177.7	28.3	0	0	110.4	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.9Å; Q31-L37 HydrophobicContact CG-CD2 3.99Å; Q31-A84 WeakPolarHBondContact O-CA 3.49Å; Q31-A84 VanDerWaalsContact O-CB 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.47Å; Q31-V85 PolarHBondContact N-O 3.1Å; Q31-V85 PolarHBondContact O-N 3.42Å; Q31-Y87 HydrophobicContact CB-CD2 4.43Å; Q31-Y87 HydrophobicContact CB-CE2 3.72Å; Q31-Y87 PolarHBondContact OE1-OH 3.46Å
32	R	95.8	Very high	95.6	Very high	56 Å²	56	45 Å²	45	21%	0.211	26%	0.26	C	S	.	.			trans	-82.6	150.9	170	-60.8	-164.5	-172.4	95.5	-3.8	110.4	G34 Q35 E38 E81 A84	R32-G34 PolarHBondContact O-N 2.92Å; R32-Q35 HydrophobicContact CB-CB 4.03Å; R32-Q35 HydrophobicContact CB-CG 4.03Å; R32-Q35 PolarHBondContact O-N 2.89Å; R32-E38 IonicContact CZ-OE1 3.21Å; R32-E38 IonicContact NH1-OE1 2.81Å; R32-E38 PolarHBondContact NH1-OE1 2.81Å; R32-E81 PolarHBondContact NE-O 2.97Å; R32-E81 PolarHBondContact NH2-O 2.82Å; R32-A84 HydrophobicContact CG-CB 4.29Å
33	P	92.3	Very high	95.7	Very high	122 Å²	122	42.3 Å²	42.3	79%	0.792	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.3	127.1	172	-25.6	34.7	0	0	0	111.4	Q35	P33-Q35 PolarHBondContact O-N 3.49Å
34	G	93.4	Very high	95.9	Very high	93 Å²	93	41.3 Å²	41.3	96%	0.959	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.6	4.6	-179.7	0	0	0	0	0	115.8	R32	R32-G34 PolarHBondContact O-N 2.92Å
35	Q	94.4	Very high	96.2	Very high	95 Å²	95	39 Å²	39	44%	0.444	23%	0.227	S	C	.	.	S	Bend	trans	-112.6	161.4	175.7	-59.5	-171.7	-6.5	0	0	111.7	R32 P33	R32-Q35 HydrophobicContact CB-CB 4.03Å; R32-Q35 HydrophobicContact CB-CG 4.03Å; R32-Q35 PolarHBondContact O-N 2.89Å; P33-Q35 PolarHBondContact O-N 3.49Å
36	G	94.6	Very high	96.2	Very high	53 Å²	53	38.3 Å²	38.3	55%	0.546	24%	0.235	S	C	.	.			trans	-68.5	175.7	172.6	0	0	0	0	0	113.1
37	L	96.1	Very high	96.1	Very high	97 Å²	97	43.2 Å²	43.2	51%	0.508	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	127.8	174	-64.1	175.1	0	0	0	110.3	V29 Q31 W103	V29-L37 HydrophobicContact CG1-CB 3.77Å; V29-L37 HydrophobicContact CG1-CD2 3.93Å; V29-L37 HydrophobicContact CG1-CG 4.32Å; Q31-L37 HydrophobicContact CB-CD2 3.9Å; Q31-L37 HydrophobicContact CG-CD2 3.99Å; L37-W103 HydrophobicContact CD1-CH2 3.86Å; L37-W103 HydrophobicContact CD1-CZ3 4.3Å
38	E	97	Very high	96.1	Very high	29 Å²	29	46.1 Å²	46.1	14%	0.136	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	112.8	173.5	-65.8	-165.5	-99.6	0	0	109.5	V29 K30 R32 I40 K55 F56	V29-E38 WeakPolarHBondContact CA-O 3.45Å; K30-E38 HydrophobicContact CB-CB 4.4Å; K30-E38 PolarHBondContact N-O 3.15Å; K30-E38 PolarHBondContact O-N 2.98Å; R32-E38 IonicContact CZ-OE1 3.21Å; R32-E38 IonicContact NH1-OE1 2.81Å; R32-E38 PolarHBondContact NH1-OE1 2.81Å; E38-I40 PolarHBondContact O-N 2.63Å; E38-K55 IonicContact OE2-NZ 3.65Å; E38-K55 PolarHBondContact OE2-NZ 2.84Å; E38-F56 HydrophobicContact CB-CE2 4.44Å; E38-F56 HydrophobicContact CB-CZ 4.4Å
39	W	97.2	Very high	96	Very high	72 Å²	72	51.7 Å²	51.7	27%	0.273	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	128.6	175	-179.5	73.1	0	0	0	110.9	H27 G41 V42 N51 N53	H27-W39 AromaticContact CG-NE1 3.93Å; H27-W39 AromaticContact ND1-NE1 3.2Å; H27-W39 PolarHBondContact ND1-NE1 2.91Å; W39-G41 VanDerWaalsContact CE2-C 3.47Å; W39-G41 PolarHBondContact NE1-O 3.01Å; W39-V42 HydrophobicContact CZ2-CB 3.92Å; W39-V42 HydrophobicContact CZ2-CG1 3.84Å; W39-N51 HydrophobicContact CH2-CB 4.48Å; W39-N53 HydrophobicContact CE3-CB 3.78Å; W39-N53 HydrophobicContact CZ3-CB 3.97Å; W39-N53 VanDerWaalsContact CZ3-N 3.33Å; W39-N53 WeakPolarHBondContact O-CB 2.96Å; W39-N53 PolarHBondContact O-ND2 2.82Å
40	I	98.1	Very high	95.9	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-50.7	-177.9	-59	175.5	0	0	0	110.2	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.14Å; W28-I40 HydrophobicContact CB-CD1 4.27Å; W28-I40 WeakPolarHBondContact O-CB 3.19Å; W28-I40 PolarHBondContact O-N 3.17Å; K30-I40 HydrophobicContact CB-CD1 3.98Å; K30-I40 HydrophobicContact CB-CG1 4.14Å; E38-I40 PolarHBondContact O-N 2.63Å; I40-N53 PolarHBondContact O-N 3.24Å; I40-F56 HydrophobicContact CB-CD2 4.28Å; I40-F56 HydrophobicContact CB-CG 4.24Å; I40-F56 HydrophobicContact CG1-CD1 4.19Å; I40-F56 HydrophobicContact CG1-CD2 4.26Å; I40-F56 HydrophobicContact CG1-CE1 4.09Å; I40-F56 HydrophobicContact CG1-CE2 4.15Å; I40-F56 HydrophobicContact CG1-CG 4.26Å; I40-F56 HydrophobicContact CG1-CZ 4.07Å; I40-F56 HydrophobicContact CG2-CB 3.74Å; I40-F56 HydrophobicContact CG2-CD1 4.07Å; I40-F56 HydrophobicContact CG2-CD2 4.31Å; I40-F56 HydrophobicContact CG2-CG 3.79Å; I40-A60 HydrophobicContact CG2-CB 3.71Å; I40-M73 HydrophobicContact CD1-CE 3.96Å; I40-M73 HydrophobicContact CD1-SD 3.61Å; I40-M73 HydrophobicContact CG2-SD 3.97Å; I40-Y86 HydrophobicContact CD1-CD1 3.78Å; I40-Y86 HydrophobicContact CD1-CE1 3.92Å
41	G	97.4	Very high	95.9	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.4	177.4	-172.9	0	0	0	0	0	112.3	H27 W28 W39 N51	H27-G41 WeakPolarHBondContact CA-O 3.22Å; W28-G41 PolarHBondContact N-O 2.9Å; W39-G41 VanDerWaalsContact CE2-C 3.47Å; W39-G41 PolarHBondContact NE1-O 3.01Å; G41-N51 CarbonylContact C-O 3.53Å; G41-N51 WeakPolarHBondContact CA-O 3.45Å
42	V	96.9	Very high	95.9	Very high	5 Å²	5	56.3 Å²	56.3	3%	0.03	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	147.7	177.2	64.9	0	0	0	0	109.5	W25 M26 H27 W39 T50 N51	W25-V42 HydrophobicContact CB-CG2 3.71Å; W25-V42 HydrophobicContact CD2-CG2 4.42Å; W25-V42 HydrophobicContact CE3-CG2 4.08Å; W25-V42 HydrophobicContact CG-CG2 4.34Å; M26-V42 WeakPolarHBondContact O-CA 3.23Å; H27-V42 WeakPolarHBondContact CE1-CG2 3.19Å; H27-V42 WeakPolarHBondContact NE2-CG2 3Å; W39-V42 HydrophobicContact CZ2-CB 3.92Å; W39-V42 HydrophobicContact CZ2-CG1 3.84Å; V42-T50 WeakPolarHBondContact O-CA 3.06Å; V42-N51 HydrophobicContact CG1-CB 3.89Å; V42-N51 PolarHBondContact N-O 2.95Å; V42-N51 PolarHBondContact O-N 2.94Å
43	I	97	Very high	95.9	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.01	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	131.7	169.4	-174.3	157.1	0	0	0	110	M26 P45 Y49 T50 L62 V64	M26-I43 HydrophobicContact CB-CG2 4.03Å; M26-I43 PolarHBondContact N-O 2.99Å; M26-I43 PolarHBondContact O-N 3.2Å; I43-P45 WeakPolarHBondContact O-CD 3.44Å; I43-Y49 CarbonylContact C-O 3.57Å; I43-Y49 VanDerWaalsContact CA-O 3.3Å; I43-Y49 WeakPolarHBondContact CA-O 3.28Å; I43-T50 HydrophobicContact CB-CG2 3.96Å; I43-T50 HydrophobicContact CD1-CG2 3.64Å; I43-T50 HydrophobicContact CG1-CG2 3.74Å; I43-L62 HydrophobicContact CB-CB 4.12Å; I43-L62 HydrophobicContact CB-CD1 4.37Å; I43-L62 HydrophobicContact CD1-CB 4.12Å; I43-L62 HydrophobicContact CG2-CB 4.4Å; I43-V64 HydrophobicContact CD1-CB 4.41Å; I43-V64 HydrophobicContact CD1-CG1 3.75Å; I43-V64 HydrophobicContact CD1-CG2 4.15Å; I43-V64 HydrophobicContact CG1-CG1 3.86Å; I43-V64 HydrophobicContact CG2-CG1 3.84Å
44	D	95.6	Very high	96.1	Very high	20 Å²	20	56.7 Å²	56.7	11%	0.107	33%	0.325	C	S	.	.			trans	-85.8	114.5	168.1	-172.8	-23.8	0	0	0	108.6	W25 S46 D47 S48 Y49	W25-D44 VanDerWaalsContact NE1-CG 3.25Å; W25-D44 PolarHBondContact NE1-OD2 3.07Å; D44-S46 PolarHBondContact O-N 3.46Å; D44-S46 VanDerWaalsContact OD1-CB 3.25Å; D44-S46 WeakPolarHBondContact OD1-CB 3.48Å; D44-S46 PolarHBondContact OD1-N 2.87Å; D44-S46 PolarHBondContact OD1-OG 2.97Å; D44-S46 PolarHBondContact OD2-OG 3.2Å; D44-D47 WeakPolarHBondContact CB-OD1 3.38Å; D44-S48 WeakPolarHBondContact O-CA 3.42Å; D44-S48 PolarHBondContact O-N 3.46Å; D44-Y49 PolarHBondContact N-O 2.79Å
45	P	95.4	Very high	96.2	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.013	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-12.4	179.8	-16.1	31.1	0	0	0	114.5	F21 T22 Y24 I43 V64 T66	F21-P45 HydrophobicContact CD1-CB 3.83Å; F21-P45 HydrophobicContact CD1-CG 4.28Å; F21-P45 HydrophobicContact CD2-CG 4.26Å; F21-P45 HydrophobicContact CE1-CB 3.55Å; F21-P45 HydrophobicContact CE1-CG 3.89Å; F21-P45 HydrophobicContact CE2-CB 4.42Å; F21-P45 HydrophobicContact CE2-CG 3.86Å; F21-P45 HydrophobicContact CG-CB 4.4Å; F21-P45 HydrophobicContact CG-CG 4.47Å; F21-P45 HydrophobicContact CZ-CB 3.87Å; F21-P45 HydrophobicContact CZ-CG 3.66Å; T22-P45 HydrophobicContact CG2-CB 4.49Å; Y24-P45 WeakPolarHBondContact O-CD 3.15Å; Y24-P45 WeakPolarHBondContact O-CG 3.4Å; I43-P45 WeakPolarHBondContact O-CD 3.44Å; P45-V64 HydrophobicContact CB-CB 4.44Å; P45-V64 HydrophobicContact CB-CG1 4.05Å; P45-V64 HydrophobicContact CG-CG1 4.19Å; P45-T66 VanDerWaalsContact O-CG2 3.29Å; P45-T66 WeakPolarHBondContact O-CG2 3.24Å
46	S	94.5	Very high	96.2	Very high	72 Å²	72	55.4 Å²	55.4	50%	0.503	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-40.3	-179.1	70.9	0	0	0	0	113.2	T22 D44	T22-S46 WeakPolarHBondContact O-CB 3.33Å; D44-S46 PolarHBondContact O-N 3.46Å; D44-S46 VanDerWaalsContact OD1-CB 3.25Å; D44-S46 WeakPolarHBondContact OD1-CB 3.48Å; D44-S46 PolarHBondContact OD1-N 2.87Å; D44-S46 PolarHBondContact OD1-OG 2.97Å; D44-S46 PolarHBondContact OD2-OG 3.2Å
47	D	95	Very high	96.2	Very high	106 Å²	106	59.6 Å²	59.6	57%	0.567	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.9	3	-176.2	68.8	-0.9	0	0	0	113.4	D44 Y49	D44-D47 WeakPolarHBondContact CB-OD1 3.38Å; D47-Y49 PolarHBondContact O-N 2.92Å; D47-Y49 WeakPolarHBondContact OD1-CB 3.2Å; D47-Y49 PolarHBondContact OD1-N 2.69Å
48	S	95.3	Very high	96.1	Very high	71 Å²	71	58.5 Å²	58.5	50%	0.497	31%	0.307	S	S	.	.			trans	61.5	21.4	-176.1	-53.5	0	0	0	0	114.2	D44 T50	D44-S48 WeakPolarHBondContact O-CA 3.42Å; D44-S48 PolarHBondContact O-N 3.46Å; S48-T50 PolarHBondContact O-N 2.9Å
49	Y	96.2	Very high	96	Very high	121 Å²	121	59.1 Å²	59.1	48%	0.475	31%	0.309	S	S	.	.			trans	-58.7	134.8	170.5	175.7	-98.6	0	0	0	110.1	I43 D44 D47 N51	I43-Y49 CarbonylContact C-O 3.57Å; I43-Y49 VanDerWaalsContact CA-O 3.3Å; I43-Y49 WeakPolarHBondContact CA-O 3.28Å; D44-Y49 PolarHBondContact N-O 2.79Å; D47-Y49 PolarHBondContact O-N 2.92Å; D47-Y49 WeakPolarHBondContact OD1-CB 3.2Å; D47-Y49 PolarHBondContact OD1-N 2.69Å; Y49-N51 HydrophobicContact CE1-CB 4.05Å
50	T	97.3	Very high	96.1	Very high	48 Å²	48	55.8 Å²	55.8	29%	0.294	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	141.4	178.3	52.8	0	0	0	0	111.4	V42 I43 S48 L62	V42-T50 WeakPolarHBondContact O-CA 3.06Å; I43-T50 HydrophobicContact CB-CG2 3.96Å; I43-T50 HydrophobicContact CD1-CG2 3.64Å; I43-T50 HydrophobicContact CG1-CG2 3.74Å; S48-T50 PolarHBondContact O-N 2.9Å; T50-L62 HydrophobicContact CG2-CB 4.11Å
51	N	96.5	Very high	96.1	Very high	75 Å²	75	58.9 Å²	58.9	40%	0.401	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	146.4	169	-171.9	15	0	0	0	109.6	W39 G41 V42 Y49	W39-N51 HydrophobicContact CH2-CB 4.48Å; G41-N51 CarbonylContact C-O 3.53Å; G41-N51 WeakPolarHBondContact CA-O 3.45Å; V42-N51 HydrophobicContact CG1-CB 3.89Å; V42-N51 PolarHBondContact N-O 2.95Å; V42-N51 PolarHBondContact O-N 2.94Å; Y49-N51 HydrophobicContact CE1-CB 4.05Å
52	Y	97.7	Very high	96.1	Very high	43 Å²	43	59.2 Å²	59.2	17%	0.169	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	147.5	-171.5	-64.9	-93.2	0	0	0	110.9	A60 L62	Y52-A60 HydrophobicContact CE1-CB 4.39Å; Y52-A60 VanDerWaalsContact CE1-O 3.3Å; Y52-A60 WeakPolarHBondContact CE1-O 3.4Å; Y52-L62 HydrophobicContact CE1-CD1 4.07Å; Y52-L62 HydrophobicContact CE1-CG 3.69Å; Y52-L62 PolarHBondContact OH-N 2.9Å
53	N	96.9	Very high	96.2	Very high	45 Å²	45	62 Å²	62	24%	0.241	34%	0.335	C	S	.	.			trans	-68.3	135.5	157.6	-178	-25.8	0	0	0	109	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.78Å; W39-N53 HydrophobicContact CZ3-CB 3.97Å; W39-N53 VanDerWaalsContact CZ3-N 3.33Å; W39-N53 WeakPolarHBondContact O-CB 2.96Å; W39-N53 PolarHBondContact O-ND2 2.82Å; I40-N53 PolarHBondContact O-N 3.24Å; N53-K55 PolarHBondContact O-N 3.21Å; N53-K55 VanDerWaalsContact O-N 3.1Å; N53-K55 PolarHBondContact OD1-N 2.94Å; N53-K55 VanDerWaalsContact OD1-N 3.12Å; N53-F56 HydrophobicContact CB-CD2 4.03Å; N53-F56 PolarHBondContact O-N 2.7Å; N53-K57 PolarHBondContact O-N 3.23Å
54	Q	96	Very high	96.2	Very high	142 Å²	142	63.3 Å²	63.3	66%	0.664	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-54.7	-33.6	-177.4	-64.3	-60.1	-26.2	0	0	113	F56 K57	Q54-F56 PolarHBondContact O-N 3.2Å; Q54-K57 PolarHBondContact O-N 3.01Å
55	K	94.4	Very high	96.3	Very high	151 Å²	151	64.9 Å²	64.9	66%	0.657	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-59.9	-29.7	177.1	-67.2	-172.9	-174.3	-179.1	0	113.7	E38 N53	E38-K55 IonicContact OE2-NZ 3.65Å; E38-K55 PolarHBondContact OE2-NZ 2.84Å; N53-K55 PolarHBondContact O-N 3.21Å; N53-K55 VanDerWaalsContact O-N 3.1Å; N53-K55 PolarHBondContact OD1-N 2.94Å; N53-K55 VanDerWaalsContact OD1-N 3.12Å
56	F	96	Very high	96.3	Very high	10 Å²	10	68.4 Å²	68.4	4%	0.044	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-106.5	-3.8	-174.8	-62.7	-84.1	0	0	0	112.7	K30 E38 I40 N53 Q54 G58 K59 A60	K30-F56 HydrophobicContact CB-CZ 4.41Å; K30-F56 HydrophobicContact CD-CE1 3.9Å; K30-F56 HydrophobicContact CD-CZ 3.97Å; E38-F56 HydrophobicContact CB-CE2 4.44Å; E38-F56 HydrophobicContact CB-CZ 4.4Å; I40-F56 HydrophobicContact CB-CD2 4.28Å; I40-F56 HydrophobicContact CB-CG 4.24Å; I40-F56 HydrophobicContact CG1-CD1 4.19Å; I40-F56 HydrophobicContact CG1-CD2 4.26Å; I40-F56 HydrophobicContact CG1-CE1 4.09Å; I40-F56 HydrophobicContact CG1-CE2 4.15Å; I40-F56 HydrophobicContact CG1-CG 4.26Å; I40-F56 HydrophobicContact CG1-CZ 4.07Å; I40-F56 HydrophobicContact CG2-CB 3.74Å; I40-F56 HydrophobicContact CG2-CD1 4.07Å; I40-F56 HydrophobicContact CG2-CD2 4.31Å; I40-F56 HydrophobicContact CG2-CG 3.79Å; N53-F56 HydrophobicContact CB-CD2 4.03Å; N53-F56 PolarHBondContact O-N 2.7Å; Q54-F56 PolarHBondContact O-N 3.2Å; F56-G58 PolarHBondContact O-N 3.4Å; F56-K59 WeakPolarHBondContact O-CB 3.34Å; F56-K59 PolarHBondContact O-N 3.32Å; F56-A60 HydrophobicContact CB-CB 4.34Å; F56-A60 PolarHBondContact O-N 3.37Å
57	K	93.9	Very high	96.3	Very high	140 Å²	140	70.1 Å²	70.1	61%	0.609	39%	0.385	S	S	*	.	B	Isolated β-bridge	trans	-62.6	122.3	176.2	-166.1	172.3	-176.9	177.6	0	109.3	N53 Q54 K59	N53-K57 PolarHBondContact O-N 3.23Å; Q54-K57 PolarHBondContact O-N 3.01Å; K57-K59 VanDerWaalsContact C-N 3.25Å; K57-K59 PolarHBondContact O-N 2.84Å
58	G	93.2	Very high	96.4	Very high	74 Å²	74	66.8 Å²	66.8	76%	0.763	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.6	-14.7	-174.4	0	0	0	0	0	114.9	F56	F56-G58 PolarHBondContact O-N 3.4Å
59	K	96.1	Very high	96.5	Very high	42 Å²	42	65.3 Å²	65.3	18%	0.183	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-43.7	172.4	-173	75.3	178.2	-161.6	0	111.7	F56 K57 L75 S76 S77 D82	F56-K59 WeakPolarHBondContact O-CB 3.34Å; F56-K59 PolarHBondContact O-N 3.32Å; K57-K59 VanDerWaalsContact C-N 3.25Å; K57-K59 PolarHBondContact O-N 2.84Å; K59-L75 WeakPolarHBondContact O-CA 3.19Å; K59-S76 WeakPolarHBondContact CD-O 3.37Å; K59-S76 WeakPolarHBondContact CE-O 3.12Å; K59-S76 PolarHBondContact NZ-O 2.85Å; K59-S76 PolarHBondContact O-N 2.85Å; K59-S77 PolarHBondContact NZ-O 3.1Å; K59-D82 WeakPolarHBondContact CE-OD2 2.96Å; K59-D82 IonicContact NZ-OD2 2.69Å; K59-D82 PolarHBondContact NZ-OD2 2.94Å
60	A	97.9	Very high	96.6	Very high	3 Å²	3	59.9 Å²	59.9	3%	0.025	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	139	-179.3	0	0	0	0	0	111	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.71Å; Y52-A60 HydrophobicContact CE1-CB 4.39Å; Y52-A60 VanDerWaalsContact CE1-O 3.3Å; Y52-A60 WeakPolarHBondContact CE1-O 3.4Å; F56-A60 HydrophobicContact CB-CB 4.34Å; F56-A60 PolarHBondContact O-N 3.37Å; A60-M73 HydrophobicContact CB-CG 4.35Å; A60-M73 HydrophobicContact CB-SD 4.34Å; A60-Q74 CarbonylContact C-O 3.37Å; A60-Q74 WeakPolarHBondContact CA-O 3.47Å; A60-L75 HydrophobicContact CB-CD2 3.91Å
61	T	98.3	Very high	96.6	Very high	64 Å²	64	57.6 Å²	57.6	39%	0.393	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	118.8	169.7	-58.5	0	0	0	0	108.7	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.36Å; T61-M73 WeakPolarHBondContact O-CA 3.3Å; T61-Q74 PolarHBondContact N-O 3.26Å; T61-Q74 PolarHBondContact O-N 3.31Å
62	L	98.5	Very high	96.7	Very high	8 Å²	8	56.5 Å²	56.5	4%	0.042	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	133.7	177.7	-52.3	-175.4	0	0	0	110.3	W28 I43 T50 Y52 Y72 M73	W28-L62 HydrophobicContact CB-CD2 4.46Å; W28-L62 VanDerWaalsContact CD1-CD2 3.49Å; W28-L62 HydrophobicContact CG-CD2 3.98Å; I43-L62 HydrophobicContact CB-CB 4.12Å; I43-L62 HydrophobicContact CB-CD1 4.37Å; I43-L62 HydrophobicContact CD1-CB 4.12Å; I43-L62 HydrophobicContact CG2-CB 4.4Å; T50-L62 HydrophobicContact CG2-CB 4.11Å; Y52-L62 HydrophobicContact CE1-CD1 4.07Å; Y52-L62 HydrophobicContact CE1-CG 3.69Å; Y52-L62 PolarHBondContact OH-N 2.9Å; L62-Y72 WeakPolarHBondContact CA-O 3.33Å; L62-M73 HydrophobicContact CD2-CB 3.72Å; L62-M73 HydrophobicContact CD2-CG 3.64Å; L62-M73 HydrophobicContact CD2-SD 4.18Å
63	T	98.2	Very high	96.7	Very high	62 Å²	62	54.4 Å²	54.4	38%	0.38	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	162.7	174.5	55.1	0	0	0	0	110.6	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.36Å; T63-Y72 PolarHBondContact N-O 3.28Å; T63-Y72 PolarHBondContact O-N 2.9Å
64	V	97.7	Very high	96.8	Very high	30 Å²	30	56.3 Å²	56.3	18%	0.182	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	148.8	176.9	-72.7	0	0	0	0	110.5	F21 I43 P45 A71	F21-V64 HydrophobicContact CE1-CB 4.33Å; F21-V64 HydrophobicContact CE1-CG1 4.28Å; F21-V64 HydrophobicContact CZ-CG1 4.09Å; I43-V64 HydrophobicContact CD1-CB 4.41Å; I43-V64 HydrophobicContact CD1-CG1 3.75Å; I43-V64 HydrophobicContact CD1-CG2 4.15Å; I43-V64 HydrophobicContact CG1-CG1 3.86Å; I43-V64 HydrophobicContact CG2-CG1 3.84Å; P45-V64 HydrophobicContact CB-CB 4.44Å; P45-V64 HydrophobicContact CB-CG1 4.05Å; P45-V64 HydrophobicContact CG-CG1 4.19Å; V64-A71 HydrophobicContact CG1-CB 4.2Å
65	D	97.3	Very high	96.9	Very high	53 Å²	53	49.6 Å²	49.6	28%	0.283	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	104.5	164.6	174.3	6.4	0	0	0	107.9	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 2.84Å; D65-S67 WeakPolarHBondContact OD1-CB 3.3Å; D65-S67 PolarHBondContact OD1-N 2.81Å; D65-S67 PolarHBondContact OD1-OG 2.9Å; D65-S68 WeakPolarHBondContact CB-OG 3.43Å; D65-S68 PolarHBondContact OD1-N 2.98Å; D65-S68 WeakPolarHBondContact OD2-CB 3.48Å; D65-S68 PolarHBondContact OD2-OG 2.78Å; D65-S69 WeakPolarHBondContact O-CA 3.4Å; D65-S69 PolarHBondContact O-N 2.89Å; D65-T70 PolarHBondContact N-O 2.88Å; D65-T70 PolarHBondContact O-N 2.83Å; D65-Y72 HydrophobicContact CB-CE2 3.88Å
66	T	95.8	Very high	97	Very high	76 Å²	76	43.7 Å²	43.7	47%	0.466	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-27	-177.6	53.3	0	0	0	0	112.1	T22 P45 S68 S69	T22-T66 HydrophobicContact CG2-CG2 3.92Å; P45-T66 VanDerWaalsContact O-CG2 3.29Å; P45-T66 WeakPolarHBondContact O-CG2 3.24Å; T66-S68 VanDerWaalsContact C-N 3.35Å; T66-S68 PolarHBondContact O-N 2.79Å; T66-S69 PolarHBondContact O-N 3.38Å
67	S	95.3	Very high	97	Very high	108 Å²	108	47 Å²	47	76%	0.755	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-37.2	178.9	76.2	0	0	0	0	112.1	D65	D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 2.84Å; D65-S67 WeakPolarHBondContact OD1-CB 3.3Å; D65-S67 PolarHBondContact OD1-N 2.81Å; D65-S67 PolarHBondContact OD1-OG 2.9Å
68	S	96.8	Very high	97.1	Very high	37 Å²	37	40.4 Å²	40.4	26%	0.259	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	1.8	175.9	68.1	0	0	0	0	113.5	D65 T66 T70	D65-S68 WeakPolarHBondContact CB-OG 3.43Å; D65-S68 PolarHBondContact OD1-N 2.98Å; D65-S68 WeakPolarHBondContact OD2-CB 3.48Å; D65-S68 PolarHBondContact OD2-OG 2.78Å; T66-S68 VanDerWaalsContact C-N 3.35Å; T66-S68 PolarHBondContact O-N 2.79Å; S68-T70 VanDerWaalsContact C-N 3.27Å; S68-T70 PolarHBondContact O-N 3.12Å; S68-T70 PolarHBondContact O-OG1 2.97Å; S68-T70 VanDerWaalsContact O-OG1 3.04Å; S68-T70 PolarHBondContact OG-OG1 2.87Å
69	S	96.9	Very high	97.2	Very high	39 Å²	39	39.7 Å²	39.7	27%	0.273	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	45.6	-175.2	-62.8	0	0	0	0	112.6	A16 D65 T66	A16-S69 WeakPolarHBondContact CB-O 3.45Å; A16-S69 PolarHBondContact N-O 3.07Å; D65-S69 WeakPolarHBondContact O-CA 3.4Å; D65-S69 PolarHBondContact O-N 2.89Å; T66-S69 PolarHBondContact O-N 3.38Å
70	T	97.9	Very high	97.2	Very high	8 Å²	8	41.7 Å²	41.7	5%	0.049	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	127.6	-174.1	-55.9	0	0	0	0	111	C14 K15 D65 S68 Y72	C14-T70 WeakPolarHBondContact O-CA 3.41Å; K15-T70 HydrophobicContact CB-CG2 4.47Å; D65-T70 PolarHBondContact N-O 2.88Å; D65-T70 PolarHBondContact O-N 2.83Å; S68-T70 VanDerWaalsContact C-N 3.27Å; S68-T70 PolarHBondContact O-N 3.12Å; S68-T70 PolarHBondContact O-OG1 2.97Å; S68-T70 VanDerWaalsContact O-OG1 3.04Å; S68-T70 PolarHBondContact OG-OG1 2.87Å; T70-Y72 HydrophobicContact CG2-CD1 4.25Å; T70-Y72 HydrophobicContact CG2-CD2 4.35Å; T70-Y72 HydrophobicContact CG2-CE1 3.64Å; T70-Y72 HydrophobicContact CG2-CE2 3.75Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.05Å
71	A	97.9	Very high	97	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	148.5	167	0	0	0	0	0	110.2	S13 C14 F21 M26 W28 V64	S13-A71 CarbonylContact C-O 3.59Å; S13-A71 WeakPolarHBondContact CA-O 3.41Å; C14-A71 PolarHBondContact N-O 2.94Å; C14-A71 PolarHBondContact O-N 2.65Å; F21-A71 HydrophobicContact CE2-CB 4.5Å; F21-A71 HydrophobicContact CZ-CB 4.04Å; M26-A71 HydrophobicContact CB-CB 4.18Å; M26-A71 HydrophobicContact CG-CB 3.61Å; W28-A71 HydrophobicContact CZ2-CB 4.36Å; V64-A71 HydrophobicContact CG1-CB 4.2Å
72	Y	98.3	Very high	96.9	Very high	51 Å²	51	45.3 Å²	45.3	20%	0.2	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	146.7	177.8	-57	-86.5	0	0	0	111.2	K11 L12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.4Å; K11-Y72 VanDerWaalsContact CE-CD1 3.43Å; K11-Y72 HydrophobicContact CG-CD1 4.39Å; L12-Y72 CarbonylContact O-C 3.57Å; L12-Y72 WeakPolarHBondContact O-CA 3.44Å; S13-Y72 VanDerWaalsContact CB-CD1 3.5Å; S13-Y72 VanDerWaalsContact CB-CE1 3.47Å; L62-Y72 WeakPolarHBondContact CA-O 3.33Å; T63-Y72 PolarHBondContact N-O 3.28Å; T63-Y72 PolarHBondContact O-N 2.9Å; D65-Y72 HydrophobicContact CB-CE2 3.88Å; T70-Y72 HydrophobicContact CG2-CD1 4.25Å; T70-Y72 HydrophobicContact CG2-CD2 4.35Å; T70-Y72 HydrophobicContact CG2-CE1 3.64Å; T70-Y72 HydrophobicContact CG2-CE2 3.75Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.05Å
73	M	98.3	Very high	96.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	121.8	167	176.6	178.6	68.1	0	0	108.8	L12 W28 I40 A60 T61 L62 L75 Y86	L12-M73 HydrophobicContact CD1-CE 3.72Å; L12-M73 PolarHBondContact N-O 2.82Å; L12-M73 PolarHBondContact O-N 2.97Å; W28-M73 HydrophobicContact CB-SD 3.88Å; W28-M73 HydrophobicContact CD2-CB 3.6Å; W28-M73 HydrophobicContact CD2-CE 4.27Å; W28-M73 HydrophobicContact CD2-CG 4.42Å; W28-M73 HydrophobicContact CD2-SD 4.09Å; W28-M73 HydrophobicContact CE3-CB 3.86Å; W28-M73 HydrophobicContact CE3-CE 3.68Å; W28-M73 HydrophobicContact CE3-SD 4.11Å; W28-M73 HydrophobicContact CG-CB 4.11Å; W28-M73 HydrophobicContact CG-SD 4.02Å; W28-M73 HydrophobicContact CH2-CB 4.08Å; W28-M73 HydrophobicContact CZ2-CB 3.87Å; W28-M73 HydrophobicContact CZ3-CB 4.08Å; W28-M73 HydrophobicContact CZ3-CE 4.18Å; I40-M73 HydrophobicContact CD1-CE 3.96Å; I40-M73 HydrophobicContact CD1-SD 3.61Å; I40-M73 HydrophobicContact CG2-SD 3.97Å; A60-M73 HydrophobicContact CB-CG 4.35Å; A60-M73 HydrophobicContact CB-SD 4.34Å; T61-M73 WeakPolarHBondContact O-CA 3.3Å; L62-M73 HydrophobicContact CD2-CB 3.72Å; L62-M73 HydrophobicContact CD2-CG 3.64Å; L62-M73 HydrophobicContact CD2-SD 4.18Å; M73-L75 HydrophobicContact CE-CD1 3.83Å; M73-L75 HydrophobicContact CE-CD2 4.14Å; M73-L75 HydrophobicContact CE-CG 3.91Å; M73-L75 HydrophobicContact CG-CD2 4.34Å; M73-L75 HydrophobicContact CG-CG 4.31Å; M73-L75 HydrophobicContact SD-CD2 3.97Å; M73-L75 HydrophobicContact SD-CG 4.26Å; M73-Y86 HydrophobicContact CE-CD1 3.63Å; M73-Y86 HydrophobicContact CE-CE1 4.22Å; M73-Y86 HydrophobicContact CE-CG 4.21Å
74	Q	98.2	Very high	96.8	Very high	84 Å²	84	43.8 Å²	43.8	39%	0.393	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	124.2	168.4	-176.3	173.6	-1.5	0	0	109.3	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.54Å; V10-Q74 VanDerWaalsContact O-CA 3.27Å; V10-Q74 WeakPolarHBondContact O-CA 3.34Å; A60-Q74 CarbonylContact C-O 3.37Å; A60-Q74 WeakPolarHBondContact CA-O 3.47Å; T61-Q74 PolarHBondContact N-O 3.26Å; T61-Q74 PolarHBondContact O-N 3.31Å
75	L	97.5	Very high	96.8	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	126.4	171.5	-64.3	166.7	0	0	0	108.6	S9 V10 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.52Å; S9-L75 WeakPolarHBondContact CA-O 3.01Å; S9-L75 VanDerWaalsContact CB-O 3.3Å; S9-L75 WeakPolarHBondContact CB-O 2.99Å; V10-L75 HydrophobicContact CG1-CB 3.86Å; V10-L75 HydrophobicContact CG1-CD1 4.07Å; V10-L75 HydrophobicContact CG1-CG 4.4Å; V10-L75 PolarHBondContact N-O 3.03Å; V10-L75 PolarHBondContact O-N 2.85Å; K59-L75 WeakPolarHBondContact O-CA 3.19Å; A60-L75 HydrophobicContact CB-CD2 3.91Å; M73-L75 HydrophobicContact CE-CD1 3.83Å; M73-L75 HydrophobicContact CE-CD2 4.14Å; M73-L75 HydrophobicContact CE-CG 3.91Å; M73-L75 HydrophobicContact CG-CD2 4.34Å; M73-L75 HydrophobicContact CG-CG 4.31Å; M73-L75 HydrophobicContact SD-CD2 3.97Å; M73-L75 HydrophobicContact SD-CG 4.26Å; L75-L78 HydrophobicContact CB-CD2 3.72Å; L75-L78 HydrophobicContact CD1-CD2 4.28Å; L75-Y86 HydrophobicContact CD1-CD1 4.1Å; L75-Y86 HydrophobicContact CD1-CE1 3.52Å; L75-Y86 HydrophobicContact CD1-CE2 4.14Å
76	S	96.9	Very high	96.8	Very high	28 Å²	28	42 Å²	42	20%	0.196	25%	0.253	C	S	.	.			trans	-104	151.8	-175	-59.8	0	0	0	0	112.3	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.4Å; K59-S76 WeakPolarHBondContact CD-O 3.37Å; K59-S76 WeakPolarHBondContact CE-O 3.12Å; K59-S76 PolarHBondContact NZ-O 2.85Å; K59-S76 PolarHBondContact O-N 2.85Å; S76-L78 VanDerWaalsContact C-N 3.35Å; S76-L78 PolarHBondContact O-N 3.28Å
77	S	96	Very high	97	Very high	79 Å²	79	40.5 Å²	40.5	55%	0.552	24%	0.239	S	C	*	.	S	Bend	trans	50.8	50.4	171.8	-55	0	0	0	0	113.2	T8 K59	T8-S77 PolarHBondContact O-N 2.81Å; K59-S77 PolarHBondContact NZ-O 3.1Å
78	L	96.5	Very high	97	Very high	1 Å²	1	36 Å²	36	1%	0.005	21%	0.208	C	C	.	.			trans	-58.4	142.1	-172.4	-70.3	173.2	0	0	0	113	V4 P6 G7 T8 V10 L75 S76 D82 V109 V111	V4-L78 HydrophobicContact CB-CD1 4.44Å; V4-L78 HydrophobicContact CG2-CD1 3.45Å; V4-L78 VanDerWaalsContact CG2-CD1 3.45Å; P6-L78 CarbonylContact C-O 3.58Å; P6-L78 WeakPolarHBondContact CA-O 3.34Å; G7-L78 PolarHBondContact N-O 2.94Å; T8-L78 WeakPolarHBondContact O-CB 3.37Å; T8-L78 WeakPolarHBondContact O-CG 3.39Å; T8-L78 PolarHBondContact O-N 2.86Å; V10-L78 HydrophobicContact CB-CD1 4.11Å; V10-L78 HydrophobicContact CG1-CD1 3.74Å; V10-L78 HydrophobicContact CG1-CD2 4.41Å; L75-L78 HydrophobicContact CB-CD2 3.72Å; L75-L78 HydrophobicContact CD1-CD2 4.28Å; S76-L78 VanDerWaalsContact C-N 3.35Å; S76-L78 PolarHBondContact O-N 3.28Å; L78-D82 WeakPolarHBondContact CA-OD2 3.19Å; L78-D82 HydrophobicContact CD2-CB 3.62Å; L78-V109 HydrophobicContact CD1-CG1 4.45Å; L78-V111 HydrophobicContact CB-CG1 4.17Å; L78-V111 HydrophobicContact CB-CG2 3.94Å; L78-V111 HydrophobicContact CD1-CG2 4.2Å
79	T	95.9	Very high	97	Very high	60 Å²	60	34.3 Å²	34.3	37%	0.368	20%	0.196	S	C	.	.			trans	-119.2	170.3	172.5	66.6	0	0	0	0	110.2	E81 D82 V111	T79-E81 PolarHBondContact O-N 3.49Å; T79-E81 VanDerWaalsContact O-N 3.15Å; T79-D82 PolarHBondContact N-OD2 2.86Å; T79-D82 WeakPolarHBondContact O-CB 3.21Å; T79-D82 PolarHBondContact O-N 2.9Å; T79-D82 PolarHBondContact OG1-OD2 2.74Å; T79-V111 WeakPolarHBondContact O-CB 3.14Å; T79-V111 WeakPolarHBondContact O-CG2 3.45Å
80	S	94.8	Very high	96.8	Very high	84 Å²	84	34 Å²	34	59%	0.587	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-54.4	-32.7	175.8	51.6	0	0	0	0	112.7	D82 S83	S80-D82 PolarHBondContact O-N 2.03Å; S80-S83 VanDerWaalsContact O-CB 3.29Å; S80-S83 WeakPolarHBondContact O-CB 2.93Å; S80-S83 PolarHBondContact O-N 2.97Å; S80-S83 PolarHBondContact O-OG 3.25Å
81	E	93.4	Very high	96.3	Very high	132 Å²	132	34.5 Å²	34.5	62%	0.617	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-66.9	-13.3	176.3	-59.9	-176	176.3	0	0	114.1	K30 R32 T79 S83	K30-E81 PolarHBondContact NZ-O 2.78Å; R32-E81 PolarHBondContact NE-O 2.97Å; R32-E81 PolarHBondContact NH2-O 2.82Å; T79-E81 PolarHBondContact O-N 3.49Å; T79-E81 VanDerWaalsContact O-N 3.15Å; E81-S83 VanDerWaalsContact C-N 3.31Å
82	D	95.9	Very high	95.4	Very high	11 Å²	11	35 Å²	35	6%	0.059	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-85.6	-4	173.5	-62.6	-47	0	0	0	113.4	K30 K59 L78 T79 S80 A84 Y86 V111	K30-D82 IonicContact NZ-OD1 2.96Å; K30-D82 PolarHBondContact NZ-OD1 3.12Å; K59-D82 WeakPolarHBondContact CE-OD2 2.96Å; K59-D82 IonicContact NZ-OD2 2.69Å; K59-D82 PolarHBondContact NZ-OD2 2.94Å; L78-D82 WeakPolarHBondContact CA-OD2 3.19Å; L78-D82 HydrophobicContact CD2-CB 3.62Å; T79-D82 PolarHBondContact N-OD2 2.86Å; T79-D82 WeakPolarHBondContact O-CB 3.21Å; T79-D82 PolarHBondContact O-N 2.9Å; T79-D82 PolarHBondContact OG1-OD2 2.74Å; S80-D82 PolarHBondContact O-N 2.03Å; D82-A84 PolarHBondContact O-N 3.01Å; D82-A84 VanDerWaalsContact O-N 3.17Å; D82-Y86 WeakPolarHBondContact O-CE2 3.4Å; D82-Y86 PolarHBondContact O-OH 2.94Å; D82-V111 HydrophobicContact CB-CG2 4.25Å
83	S	97.3	Very high	93.8	Very high	33 Å²	33	35 Å²	35	23%	0.231	21%	0.21	C	C	.	.			trans	-66	114.2	172.4	-56.2	0	0	0	0	110.5	S80 E81 V109 V111	S80-S83 VanDerWaalsContact O-CB 3.29Å; S80-S83 WeakPolarHBondContact O-CB 2.93Å; S80-S83 PolarHBondContact O-N 2.97Å; S80-S83 PolarHBondContact O-OG 3.25Å; E81-S83 VanDerWaalsContact C-N 3.31Å; S83-V109 CarbonylContact C-O 3.5Å; S83-V109 VanDerWaalsContact CA-O 3.25Å; S83-V109 WeakPolarHBondContact CA-O 3.13Å; S83-V111 PolarHBondContact OG-N 2.89Å
84	A	97.7	Very high	92.2	Very high	5 Å²	5	41.3 Å²	41.3	4%	0.041	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.3	169.7	-171.5	0	0	0	0	0	111.2	K30 Q31 R32 D82 Y86 V109	K30-A84 HydrophobicContact CD-CB 4.2Å; K30-A84 HydrophobicContact CG-CB 3.53Å; Q31-A84 WeakPolarHBondContact O-CA 3.49Å; Q31-A84 VanDerWaalsContact O-CB 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.47Å; R32-A84 HydrophobicContact CG-CB 4.29Å; D82-A84 PolarHBondContact O-N 3.01Å; D82-A84 VanDerWaalsContact O-N 3.17Å; A84-Y86 HydrophobicContact CB-CD2 4.36Å; A84-Y86 HydrophobicContact CB-CE2 3.79Å; A84-V109 PolarHBondContact N-O 3.38Å; A84-V109 PolarHBondContact O-N 3.49Å
85	V	98.3	Very high	90.5	Very high	42 Å²	42	43.1 Å²	43.1	26%	0.255	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	131.1	160.6	-170.9	0	0	0	0	108.6	Q31 Y87	Q31-V85 PolarHBondContact N-O 3.1Å; Q31-V85 PolarHBondContact O-N 3.42Å; V85-Y87 HydrophobicContact CB-CE2 3.83Å; V85-Y87 HydrophobicContact CG1-CD1 4.41Å; V85-Y87 HydrophobicContact CG1-CD2 4.32Å; V85-Y87 HydrophobicContact CG1-CE1 3.73Å; V85-Y87 HydrophobicContact CG1-CE2 3.65Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.42Å
86	Y	98.3	Very high	88.5	Confident	3 Å²	3	54.8 Å²	54.8	1%	0.012	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127.7	178.6	-68	-89.2	0	0	0	109.9	L12 V29 K30 I40 M73 L75 D82 A84 G106 T107 V109	L12-Y86 HydrophobicContact CD1-CD1 4.47Å; L12-Y86 HydrophobicContact CD1-CD2 4.12Å; L12-Y86 HydrophobicContact CD1-CG 3.78Å; V29-Y86 CarbonylContact O-C 3.58Å; V29-Y86 WeakPolarHBondContact O-CA 3.33Å; K30-Y86 HydrophobicContact CB-CD1 4.12Å; K30-Y86 HydrophobicContact CB-CE1 3.88Å; K30-Y86 HydrophobicContact CD-CE1 3.9Å; K30-Y86 WeakPolarHBondContact CE-OH 3.43Å; K30-Y86 HydrophobicContact CG-CD1 4.28Å; K30-Y86 HydrophobicContact CG-CE1 3.71Å; I40-Y86 HydrophobicContact CD1-CD1 3.78Å; I40-Y86 HydrophobicContact CD1-CE1 3.92Å; M73-Y86 HydrophobicContact CE-CD1 3.63Å; M73-Y86 HydrophobicContact CE-CE1 4.22Å; M73-Y86 HydrophobicContact CE-CG 4.21Å; L75-Y86 HydrophobicContact CD1-CD1 4.1Å; L75-Y86 HydrophobicContact CD1-CE1 3.52Å; L75-Y86 HydrophobicContact CD1-CE2 4.14Å; D82-Y86 WeakPolarHBondContact O-CE2 3.4Å; D82-Y86 PolarHBondContact O-OH 2.94Å; A84-Y86 HydrophobicContact CB-CD2 4.36Å; A84-Y86 HydrophobicContact CB-CE2 3.79Å; Y86-G106 CarbonylContact O-C 3.53Å; Y86-G106 VanDerWaalsContact O-CA 3.23Å; Y86-G106 WeakPolarHBondContact O-CA 3.46Å; Y86-T107 PolarHBondContact N-O 3.29Å; Y86-T107 PolarHBondContact O-N 3.12Å; Y86-V109 HydrophobicContact CD2-CB 4Å; Y86-V109 HydrophobicContact CD2-CG2 3.78Å; Y86-V109 HydrophobicContact CE2-CB 3.82Å; Y86-V109 HydrophobicContact CE2-CG2 4.03Å
87	Y	98.1	Very high	86.6	Confident	44 Å²	44	58.9 Å²	58.9	17%	0.173	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	148.3	-178.7	-55.1	-88.7	0	0	0	110.1	W28 V29 Q31 V85 W103	W28-Y87 WeakPolarHBondContact CA-O 3.4Å; V29-Y87 PolarHBondContact N-O 2.83Å; V29-Y87 PolarHBondContact O-N 3.21Å; Q31-Y87 HydrophobicContact CB-CD2 4.43Å; Q31-Y87 HydrophobicContact CB-CE2 3.72Å; Q31-Y87 PolarHBondContact OE1-OH 3.46Å; V85-Y87 HydrophobicContact CB-CE2 3.83Å; V85-Y87 HydrophobicContact CG1-CD1 4.41Å; V85-Y87 HydrophobicContact CG1-CD2 4.32Å; V85-Y87 HydrophobicContact CG1-CE1 3.73Å; V85-Y87 HydrophobicContact CG1-CE2 3.65Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.42Å; Y87-W103 HydrophobicContact CG-CE3 4.19Å; Y87-W103 HydrophobicContact CG-CZ3 4.39Å
88	C	97	Very high	85.2	Confident	15 Å²	15	64 Å²	64	10%	0.101	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	146.2	158.8	59.2	0	0	0	0	109.4	C14 M26 H27 W28 G104	C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 3.27Å; C14-C88 WeakPolarHBondContact SG-CB 3.4Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.83Å; M26-C88 HydrophobicContact SD-CB 3.79Å; H27-C88 CarbonylContact O-C 3.55Å; H27-C88 WeakPolarHBondContact O-CA 3.33Å; W28-C88 HydrophobicContact CE3-CB 4.42Å; W28-C88 HydrophobicContact CH2-CB 4.5Å; W28-C88 HydrophobicContact CZ3-CB 4.41Å; C88-G104 PolarHBondContact O-N 3.31Å
89	A	95.7	Very high	84.2	Confident	1 Å²	1	65.4 Å²	65.4	1%	0.008	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	144.7	176.4	0	0	0	0	0	111.1	M26 H27 M100 Y102 W103	M26-A89 VanDerWaalsContact SD-O 3.4Å; H27-A89 HydrophobicContact CB-CB 4.45Å; H27-A89 PolarHBondContact N-O 3.27Å; H27-A89 PolarHBondContact O-N 3.48Å; A89-M100 HydrophobicContact CB-CB 4.03Å; A89-M100 HydrophobicContact CB-CG 4.25Å; A89-M100 HydrophobicContact CB-SD 3.95Å; A89-Y102 CarbonylContact C-O 3.6Å; A89-Y102 VanDerWaalsContact CA-O 3.22Å; A89-Y102 WeakPolarHBondContact CA-O 3.42Å; A89-W103 HydrophobicContact CB-CD2 3.63Å; A89-W103 HydrophobicContact CB-CE3 3.93Å; A89-W103 HydrophobicContact CB-CG 4.07Å; A89-W103 HydrophobicContact CB-CH2 4.26Å; A89-W103 HydrophobicContact CB-CZ2 3.98Å; A89-W103 HydrophobicContact CB-CZ3 4.23Å
90	R	92	Very high	83.5	Confident	33 Å²	33	65.5 Å²	65.5	13%	0.125	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	130.5	-176.4	-175	-173.6	72.5	172.5	-0.2	110.7	Y19 Y24 W25 M26 D101 Y102	Y19-R90 VanDerWaalsContact CE2-CD 3.47Å; Y19-R90 HydrophobicContact CE2-CG 4.38Å; Y24-R90 HydrophobicContact CD1-CG 3.61Å; Y24-R90 HydrophobicContact CG-CG 3.74Å; W25-R90 WeakPolarHBondContact O-CA 3.45Å; M26-R90 HydrophobicContact CE-CB 4.41Å; R90-D101 PolarHBondContact O-N 2.77Å; R90-Y102 PolarHBondContact N-O 2.68Å
91	E	88.6	Confident	82.9	Confident	17 Å²	17	66.3 Å²	66.3	8%	0.079	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	137.8	171.2	174.9	-178.3	-151	0	0	110.3	Y24 W25 H27 G93 Y98	Y24-E91 WeakPolarHBondContact CA-O 3.3Å; Y24-E91 WeakPolarHBondContact CB-O 3.44Å; Y24-E91 WeakPolarHBondContact CD1-O 3.09Å; W25-E91 HydrophobicContact CB-CB 4.27Å; W25-E91 PolarHBondContact N-O 3.16Å; W25-E91 PolarHBondContact O-N 3.01Å; H27-E91 IonicContact CE1-OE2 3.12Å; H27-E91 PolarHBondContact CE1-OE2 3.31Å; H27-E91 WeakPolarHBondContact NE2-CB 3.49Å; H27-E91 IonicContact NE2-OE2 2.83Å; H27-E91 PolarHBondContact NE2-OE2 3.04Å; E91-G93 PolarHBondContact O-N 2.87Å; E91-Y98 WeakPolarHBondContact OE1-CA 3.12Å; E91-Y98 WeakPolarHBondContact OE1-CB 3.42Å; E91-Y98 VanDerWaalsContact OE1-CD1 3.28Å; E91-Y98 WeakPolarHBondContact OE1-CD1 3.35Å
92	S	79.1	Confident	82.7	Confident	12 Å²	12	67 Å²	67	8%	0.084	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	116.5	176.5	-174.2	0	0	0	0	111.2	L94	S92-L94 PolarHBondContact O-N 2.82Å
93	G	65.1	Low	82.6	Confident	50 Å²	50	71.5 Å²	71.5	52%	0.515	35%	0.347	S	S	.	.	S	Bend	trans	-76.7	-6.8	174.1	0	0	0	0	0	114.3	E91	E91-G93 PolarHBondContact O-N 2.87Å
94	L	64.4	Low	82.5	Confident	132 Å²	132	71.2 Å²	71.2	69%	0.691	35%	0.35	S	S	*	.	S	Bend	trans	-106.5	-19.1	-169.7	-64.3	177.1	0	0	0	114.3	S92	S92-L94 PolarHBondContact O-N 2.82Å
95	L	61.1	Low	82.4	Confident	123 Å²	123	80 Å²	80	64%	0.644	39%	0.39	S	S	*	.	S	Bend	trans	-109.2	148.4	-178.5	-61	175.1	0	0	0	108.6	D97	L95-D97 PolarHBondContact O-N 3.35Å
96	R	57.3	Low	82.3	Confident	245 Å²	245	79.3 Å²	79.3	93%	0.925	39%	0.391	S	S	*	.	S	Bend	trans	-64.6	4.8	177.3	-74.2	-175.9	174	-144.2	-0.3	114.1
97	D	56.7	Low	82.3	Confident	114 Å²	114	81.7 Å²	81.7	61%	0.61	41%	0.406	S	S	*	.			trans	-99.6	104.4	175.1	-104	-36.2	0	0	0	109.5	L95 A99	L95-D97 PolarHBondContact O-N 3.35Å; D97-A99 PolarHBondContact O-N 2.94Å
98	Y	66.7	Low	82.2	Confident	188 Å²	188	81.7 Å²	81.7	74%	0.737	41%	0.413	S	S	*	.			trans	-76.7	37.3	175	-63.9	-78.2	0	0	0	112	E91	E91-Y98 WeakPolarHBondContact OE1-CA 3.12Å; E91-Y98 WeakPolarHBondContact OE1-CB 3.42Å; E91-Y98 VanDerWaalsContact OE1-CD1 3.28Å; E91-Y98 WeakPolarHBondContact OE1-CD1 3.35Å
99	A	74.1	Confident	82.2	Confident	30 Å²	30	81 Å²	81	25%	0.248	41%	0.408	C	S	.	.			trans	-93.9	135.2	-170.9	0	0	0	0	0	111.3	D97 D101	D97-A99 PolarHBondContact O-N 2.94Å; A99-D101 WeakPolarHBondContact CB-OD1 3.47Å; A99-D101 PolarHBondContact O-N 2.87Å
100	M	82.3	Confident	82.3	Confident	61 Å²	61	83.8 Å²	83.8	30%	0.3	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	74.7	169.7	-65.7	-174.3	-159.7	0	0	109.4	H27 A89 Y102 W103	H27-M100 HydrophobicContact CB-CE 3.87Å; H27-M100 HydrophobicContact CB-SD 3.92Å; H27-M100 VanDerWaalsContact CG-CE 3.45Å; H27-M100 WeakPolarHBondContact ND1-CE 3.42Å; A89-M100 HydrophobicContact CB-CB 4.03Å; A89-M100 HydrophobicContact CB-CG 4.25Å; A89-M100 HydrophobicContact CB-SD 3.95Å; M100-Y102 VanDerWaalsContact C-N 3.35Å; M100-Y102 PolarHBondContact O-N 2.82Å; M100-W103 HydrophobicContact CB-CZ2 3.99Å; M100-W103 PolarHBondContact O-NE1 3.26Å; M100-W103 HydrophobicContact SD-CH2 4.25Å; M100-W103 HydrophobicContact SD-CZ2 3.9Å
101	D	81.7	Confident	82.5	Confident	101 Å²	101	82.6 Å²	82.6	54%	0.54	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	-23.1	-169.6	-66.1	-35.9	0	0	0	113.8	R90 A99	R90-D101 PolarHBondContact O-N 2.77Å; A99-D101 WeakPolarHBondContact CB-OD1 3.47Å; A99-D101 PolarHBondContact O-N 2.87Å
102	Y	89.4	Confident	82.8	Confident	146 Å²	146	83.2 Å²	83.2	57%	0.573	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.7	129.5	-175.3	-65.4	-97	0	0	0	111.1	A89 R90 M100	A89-Y102 CarbonylContact C-O 3.6Å; A89-Y102 VanDerWaalsContact CA-O 3.22Å; A89-Y102 WeakPolarHBondContact CA-O 3.42Å; R90-Y102 PolarHBondContact N-O 2.68Å; M100-Y102 VanDerWaalsContact C-N 3.35Å; M100-Y102 PolarHBondContact O-N 2.82Å
103	W	94.6	Very high	83.1	Confident	106 Å²	106	87.5 Å²	87.5	40%	0.402	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	141.6	-176.7	-68.8	69.2	0	0	0	111	V29 L37 Y87 A89 M100	V29-W103 HydrophobicContact CB-CH2 4.12Å; V29-W103 HydrophobicContact CB-CZ3 3.83Å; V29-W103 HydrophobicContact CG1-CH2 4.08Å; V29-W103 HydrophobicContact CG1-CZ3 4Å; V29-W103 HydrophobicContact CG2-CH2 3.73Å; V29-W103 HydrophobicContact CG2-CZ3 3.85Å; L37-W103 HydrophobicContact CD1-CH2 3.86Å; L37-W103 HydrophobicContact CD1-CZ3 4.3Å; Y87-W103 HydrophobicContact CG-CE3 4.19Å; Y87-W103 HydrophobicContact CG-CZ3 4.39Å; A89-W103 HydrophobicContact CB-CD2 3.63Å; A89-W103 HydrophobicContact CB-CE3 3.93Å; A89-W103 HydrophobicContact CB-CG 4.07Å; A89-W103 HydrophobicContact CB-CH2 4.26Å; A89-W103 HydrophobicContact CB-CZ2 3.98Å; A89-W103 HydrophobicContact CB-CZ3 4.23Å; M100-W103 HydrophobicContact CB-CZ2 3.99Å; M100-W103 PolarHBondContact O-NE1 3.26Å; M100-W103 HydrophobicContact SD-CH2 4.25Å; M100-W103 HydrophobicContact SD-CZ2 3.9Å
104	G	95	Very high	83.3	Confident	28 Å²	28	96.2 Å²	96.2	29%	0.289	49%	0.485	S	S	.	.			trans	-68.3	161.8	165.5	0	0	0	0	0	111.3	C88 G106	C88-G104 PolarHBondContact O-N 3.31Å; G104-G106 PolarHBondContact O-N 2.87Å; G104-G106 VanDerWaalsContact O-N 3.1Å
105	Q	95.3	Very high	84.2	Confident	189 Å²	189	94.4 Å²	94.4	88%	0.883	48%	0.475	S	S	*	.			trans	-63.1	-17	179.2	-65	-62.3	-42.2	0	0	113.8
106	G	96.1	Very high	85.4	Confident	27 Å²	27	92.9 Å²	92.9	28%	0.278	47%	0.466	S	S	.	.			trans	85.2	149.9	-176.8	0	0	0	0	0	113.1	Y86 G104	Y86-G106 CarbonylContact O-C 3.53Å; Y86-G106 VanDerWaalsContact O-CA 3.23Å; Y86-G106 WeakPolarHBondContact O-CA 3.46Å; G104-G106 PolarHBondContact O-N 2.87Å; G104-G106 VanDerWaalsContact O-N 3.1Å
107	T	97.1	Very high	87	Confident	53 Å²	53	84.4 Å²	84.4	33%	0.325	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	119.3	175.5	-65	0	0	0	0	109.1	L12 Y86 V109	L12-T107 HydrophobicContact CD2-CG2 4Å; Y86-T107 PolarHBondContact N-O 3.29Å; Y86-T107 PolarHBondContact O-N 3.12Å; T107-V109 PolarHBondContact O-N 2.6Å
108	S	97.5	Very high	88.8	Confident	45 Å²	45	82.7 Å²	82.7	32%	0.315	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	126.6	171.3	-171.3	0	0	0	0	110	A1 E2	A1-S108 CarbonylContact C-O 3.57Å; A1-S108 WeakPolarHBondContact CA-O 3.29Å; E2-S108 PolarHBondContact N-O 3.01Å
109	V	97.4	Very high	90.2	Very high	0 Å²	0	76.1 Å²	76.1	0%	0	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	127.9	166.9	178	0	0	0	0	107.2	E2 V4 V10 L12 L78 S83 A84 Y86 T107 V111	E2-V109 HydrophobicContact CB-CG2 4.46Å; E2-V109 CarbonylContact O-C 3.51Å; E2-V109 WeakPolarHBondContact O-CA 3.49Å; V4-V109 HydrophobicContact CG2-CG1 4.08Å; V10-V109 HydrophobicContact CG1-CG1 4.48Å; L12-V109 HydrophobicContact CD1-CG2 4.19Å; L12-V109 HydrophobicContact CD2-CG2 3.95Å; L78-V109 HydrophobicContact CD1-CG1 4.45Å; S83-V109 CarbonylContact C-O 3.5Å; S83-V109 VanDerWaalsContact CA-O 3.25Å; S83-V109 WeakPolarHBondContact CA-O 3.13Å; A84-V109 PolarHBondContact N-O 3.38Å; A84-V109 PolarHBondContact O-N 3.49Å; Y86-V109 HydrophobicContact CD2-CB 4Å; Y86-V109 HydrophobicContact CD2-CG2 3.78Å; Y86-V109 HydrophobicContact CE2-CB 3.82Å; Y86-V109 HydrophobicContact CE2-CG2 4.03Å; T107-V109 PolarHBondContact O-N 2.6Å; V109-V111 HydrophobicContact CG1-CG2 4.39Å
110	T	97.4	Very high	91.2	Very high	60 Å²	60	79.2 Å²	79.2	37%	0.368	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	124.4	178.2	-57.5	0	0	0	0	108.4	E2 L3 V4	E2-T110 PolarHBondContact O-N 3.27Å; L3-T110 WeakPolarHBondContact CA-O 3.3Å; L3-T110 HydrophobicContact CD1-CG2 3.85Å; V4-T110 PolarHBondContact N-O 3.49Å
111	V	96.6	Very high	91.9	Very high	8 Å²	8	80.5 Å²	80.5	5%	0.048	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	107	179.5	-170.2	0	0	0	0	108.4	V4 P6 L78 T79 D82 S83 V109	V4-V111 HydrophobicContact CG2-CB 4.37Å; V4-V111 HydrophobicContact CG2-CG1 4.43Å; V4-V111 HydrophobicContact CG2-CG2 3.82Å; V4-V111 CarbonylContact O-C 3.44Å; V4-V111 VanDerWaalsContact O-CA 3.3Å; V4-V111 WeakPolarHBondContact O-CA 3.25Å; P6-V111 HydrophobicContact CB-CG1 4.38Å; P6-V111 HydrophobicContact CG-CG1 4.1Å; L78-V111 HydrophobicContact CB-CG1 4.17Å; L78-V111 HydrophobicContact CB-CG2 3.94Å; L78-V111 HydrophobicContact CD1-CG2 4.2Å; T79-V111 WeakPolarHBondContact O-CB 3.14Å; T79-V111 WeakPolarHBondContact O-CG2 3.45Å; D82-V111 HydrophobicContact CB-CG2 4.25Å; S83-V111 PolarHBondContact OG-N 2.89Å; V109-V111 HydrophobicContact CG1-CG2 4.39Å
112	S	93.7	Very high	92.7	Very high	29 Å²	29	78.9 Å²	78.9	20%	0.203	42%	0.422	C	S	.	.			trans	-135.2	143.4	-178.8	-169	0	0	0	0	111.7	V4 P6 E114	V4-S112 PolarHBondContact O-N 3.01Å; P6-S112 WeakPolarHBondContact CD-O 3.49Å; S112-E114 WeakPolarHBondContact OG-CB 3.34Å; S112-E114 WeakPolarHBondContact OG-CG 3.39Å; S112-E114 PolarHBondContact OG-N 2.61Å
113	S	85.6	Confident	92.9	Very high	103 Å²	103	73.3 Å²	73.3	72%	0.72	41%	0.41	S	S	*	.			trans	-88.4	-8.4	170.8	55.2	0	0	0	0	113.2
114	E	68.8	Low	92.8	Very high	232 Å²	232	70.4 Å²	70.4	100%	1.084	41%	0.41	S	S	*	.			trans	-65.1	0	176.6	-62.2	179.3	160.8	0	0	112.4	S112	S112-E114 WeakPolarHBondContact OG-CB 3.34Å; S112-E114 WeakPolarHBondContact OG-CG 3.39Å; S112-E114 PolarHBondContact OG-N 2.61Å

Retrieved 114 of 114 residues in 24.2 ms (Link to these results)

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