X5J5K6_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5K6, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 105 aa.

						>X5J5K6_MOUSE|X5J5K6
TELVKPGASVKLSCKASGYTFTSYWMHWVKQRPGQGLEWIGNINPSNGGTNYNEKFKSKATLTVDKSSSTAYMQLSSLTSEDSAVYYCASNFDYWGQGTTLTVSS
					

Structure Viewer

Loading PAE data...

(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	T	74.8	Confident	92.7	Very high	138 Å²	138	77.2 Å²	77.2	85%	0.847	45%	0.445	S	S	*	.				0	132.3	0	-52.1	0	0	0	0	108.8	T100	T1-T100 CarbonylContact C-O 3.45Å; T1-T100 WeakPolarHBondContact CA-O 3.45Å; T1-T100 HydrophobicContact CG2-CG2 3.99Å
2	E	84.4	Confident	93.1	Very high	73 Å²	73	71.3 Å²	71.3	34%	0.341	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	123.1	178.4	-167.1	170.7	176.1	0	0	109.3	V4 V10 T100 L101 T102	E2-V4 HydrophobicContact CG-CG1 4.01Å; E2-V10 HydrophobicContact CG-CG2 4.48Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.3Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.28Å; E2-T100 PolarHBondContact N-O 3.32Å; E2-L101 HydrophobicContact CB-CD1 3.99Å; E2-L101 HydrophobicContact CG-CD1 4.26Å; E2-T102 PolarHBondContact O-N 3.49Å
3	L	92.1	Very high	93.4	Very high	123 Å²	123	71.5 Å²	71.5	64%	0.644	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105	120.5	-179.2	-174.8	67.6	0	0	0	108.9	T102 S104	L3-T102 WeakPolarHBondContact CA-O 3.47Å; L3-T102 HydrophobicContact CD1-CG2 3.83Å; L3-S104 WeakPolarHBondContact CD1-OG 3.44Å
4	V	94.7	Very high	93.5	Very high	20 Å²	20	67.4 Å²	67.4	12%	0.121	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	153.2	-174.8	-60.7	0	0	0	0	111.2	E2 A8 L78 L101 T102 V103 S104	E2-V4 HydrophobicContact CG-CG1 4.01Å; V4-A8 HydrophobicContact CB-CB 4.4Å; V4-L78 HydrophobicContact CB-CD1 4.4Å; V4-L78 HydrophobicContact CG2-CD1 3.49Å; V4-L78 VanDerWaalsContact CG2-CD1 3.49Å; V4-L101 HydrophobicContact CG1-CD1 4.22Å; V4-L101 HydrophobicContact CG2-CD1 3.84Å; V4-L101 HydrophobicContact CG2-CG 4.49Å; V4-T102 PolarHBondContact N-O 2.63Å; V4-V103 HydrophobicContact CG2-CB 4.32Å; V4-V103 HydrophobicContact CG2-CG1 4.37Å; V4-V103 HydrophobicContact CG2-CG2 3.78Å; V4-V103 WeakPolarHBondContact O-CA 3.17Å; V4-S104 PolarHBondContact O-N 2.67Å
5	K	94.9	Very high	93.6	Very high	147 Å²	147	73.1 Å²	73.1	64%	0.639	41%	0.414	S	S	*	.			trans	-81.1	151.9	176.2	-65.3	-175.2	178.9	-175.6	0	110.8	A8	K5-A8 WeakPolarHBondContact O-CB 3.29Å; K5-A8 PolarHBondContact O-N 3.25Å
6	P	96.5	Very high	93.4	Very high	73 Å²	73	69.3 Å²	69.3	47%	0.474	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	142.4	169.3	-25	34	0	0	0	112	A8 L78 V103	P6-A8 PolarHBondContact O-N 3.03Å; P6-L78 CarbonylContact C-O 3.58Å; P6-L78 WeakPolarHBondContact CA-O 3.08Å; P6-V103 HydrophobicContact CB-CG1 4.46Å; P6-V103 HydrophobicContact CG-CG1 4.19Å
7	G	95.3	Very high	93.1	Very high	53 Å²	53	71.2 Å²	71.2	55%	0.546	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	-12.3	-176.7	0	0	0	0	0	114.9	L78	G7-L78 PolarHBondContact N-O 3.49Å
8	A	96.1	Very high	92.6	Very high	34 Å²	34	72.3 Å²	72.3	28%	0.281	44%	0.442	S	S	.	.			trans	-67.9	166.8	175.7	0	0	0	0	0	112	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.4Å; K5-A8 WeakPolarHBondContact O-CB 3.29Å; K5-A8 PolarHBondContact O-N 3.25Å; P6-A8 PolarHBondContact O-N 3.03Å; A8-S77 PolarHBondContact O-N 3.25Å; A8-L78 WeakPolarHBondContact O-CB 3.31Å; A8-L78 VanDerWaalsContact O-CG 3.31Å; A8-L78 WeakPolarHBondContact O-CG 3.28Å; A8-L78 PolarHBondContact O-N 2.84Å
9	S	96.6	Very high	92.1	Very high	66 Å²	66	71.5 Å²	71.5	46%	0.462	43%	0.43	S	S	.	.			trans	-117.9	146.6	169	-58.9	0	0	0	0	109.8	L75 S76	S9-L75 CarbonylContact C-O 3.44Å; S9-L75 WeakPolarHBondContact CA-O 3.46Å; S9-L75 WeakPolarHBondContact CB-O 3.47Å; S9-S76 WeakPolarHBondContact OG-CA 3.46Å
10	V	96.8	Very high	91.9	Very high	5 Å²	5	72.5 Å²	72.5	3%	0.03	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	146.3	178.3	63.7	0	0	0	0	110.4	E2 L12 Q74 L75 L78 L101	E2-V10 HydrophobicContact CG-CG2 4.48Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.3Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.28Å; V10-L12 HydrophobicContact CG2-CD2 3.84Å; V10-L12 HydrophobicContact CG2-CG 4.43Å; V10-Q74 CarbonylContact O-C 3.51Å; V10-Q74 VanDerWaalsContact O-CA 3.25Å; V10-Q74 WeakPolarHBondContact O-CA 3.42Å; V10-L75 HydrophobicContact CG1-CB 3.88Å; V10-L75 HydrophobicContact CG1-CD1 4.19Å; V10-L75 HydrophobicContact CG1-CG 4.48Å; V10-L75 PolarHBondContact N-O 2.92Å; V10-L75 PolarHBondContact O-N 2.92Å; V10-L78 HydrophobicContact CB-CD1 4.16Å; V10-L78 HydrophobicContact CG1-CD1 3.78Å; V10-L78 HydrophobicContact CG1-CD2 4.44Å; V10-L101 HydrophobicContact CB-CD1 4.46Å; V10-L101 HydrophobicContact CG1-CD1 4.19Å; V10-L101 HydrophobicContact CG1-CD2 3.91Å; V10-L101 HydrophobicContact CG2-CD1 4.34Å
11	K	97.3	Very high	91.8	Very high	117 Å²	117	69.5 Å²	69.5	51%	0.509	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	106.9	173.1	-173	177.5	-178.5	179.5	0	110	Y72	K11-Y72 HydrophobicContact CD-CD1 4.3Å; K11-Y72 VanDerWaalsContact CE-CB 3.46Å; K11-Y72 VanDerWaalsContact CE-CD1 3.44Å; K11-Y72 HydrophobicContact CG-CD1 4.24Å
12	L	97.3	Very high	92.6	Very high	6 Å²	6	65.7 Å²	65.7	3%	0.031	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	144.8	174.3	-55.7	-176.9	0	0	0	109.9	V10 W28 Y72 M73 Y86 T99	V10-L12 HydrophobicContact CG2-CD2 3.84Å; V10-L12 HydrophobicContact CG2-CG 4.43Å; L12-W28 HydrophobicContact CB-CH2 4.03Å; L12-W28 HydrophobicContact CB-CZ3 3.93Å; L12-Y72 CarbonylContact O-C 3.47Å; L12-Y72 WeakPolarHBondContact O-CA 3.33Å; L12-Y72 WeakPolarHBondContact O-CB 3.38Å; L12-M73 HydrophobicContact CD1-CE 3.75Å; L12-M73 PolarHBondContact N-O 2.85Å; L12-M73 PolarHBondContact O-N 2.81Å; L12-Y86 HydrophobicContact CD1-CD1 4.37Å; L12-Y86 HydrophobicContact CD1-CD2 4.17Å; L12-Y86 HydrophobicContact CD1-CG 3.78Å; L12-T99 HydrophobicContact CD2-CG2 3.96Å
13	S	96.9	Very high	92.9	Very high	74 Å²	74	65.7 Å²	65.7	52%	0.517	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	148.5	178.9	67	0	0	0	0	111.1	A71 Y72	S13-A71 CarbonylContact C-O 3.52Å; S13-A71 WeakPolarHBondContact CA-O 3.41Å; S13-Y72 VanDerWaalsContact CB-CD1 3.46Å; S13-Y72 VanDerWaalsContact CB-CE1 3.41Å
14	C	95.9	Very high	92.8	Very high	14 Å²	14	64.4 Å²	64.4	10%	0.095	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	107.2	174.2	-179.8	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 WeakPolarHBondContact O-CA 3.25Å; C14-A71 PolarHBondContact N-O 2.8Å; C14-A71 PolarHBondContact O-N 2.79Å; C14-C88 HydrophobicContact CB-CB 3.41Å; C14-C88 VanDerWaalsContact CB-CB 3.41Å; C14-C88 WeakPolarHBondContact CB-SG 3.42Å; C14-C88 WeakPolarHBondContact SG-CB 3.3Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.48Å
15	K	94.9	Very high	92.8	Very high	153 Å²	153	67.5 Å²	67.5	67%	0.665	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	123.2	178.9	-172.8	174.4	-177.7	178.5	0	109.5	T70	K15-T70 HydrophobicContact CB-CG2 4.48Å
16	A	90.7	Very high	92.9	Very high	13 Å²	13	60.6 Å²	60.6	11%	0.107	37%	0.37	C	S	.	.			trans	-73.1	146.4	175.6	0	0	0	0	0	111.2	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 3.96Å; A16-Y19 HydrophobicContact CB-CE2 4.09Å; A16-Y19 WeakPolarHBondContact CB-OH 3.35Å; A16-F21 HydrophobicContact CB-CB 3.92Å; A16-F21 HydrophobicContact CB-CD2 3.32Å; A16-F21 HydrophobicContact CB-CE2 4.07Å; A16-F21 HydrophobicContact CB-CG 3.9Å; A16-S69 PolarHBondContact N-O 2.9Å
17	S	87.5	Confident	93	Very high	102 Å²	102	58.1 Å²	58.1	71%	0.713	35%	0.352	S	S	*	.			trans	-148.4	146.8	174.8	64.9	0	0	0	0	109.8	Y19	S17-Y19 VanDerWaalsContact C-N 3.32Å; S17-Y19 WeakPolarHBondContact O-CD1 3.38Å; S17-Y19 PolarHBondContact O-N 2.99Å
18	G	83.9	Confident	93.1	Very high	90 Å²	90	55.8 Å²	55.8	93%	0.928	33%	0.326	S	S	*	.	S	Bend	trans	80.2	2.6	176.2	0	0	0	0	0	116.1
19	Y	82.4	Confident	93.2	Very high	58 Å²	58	54.4 Å²	54.4	23%	0.227	31%	0.314	C	S	.	.	S	Bend	trans	-152.4	165.9	175.6	65.1	-86.8	0	0	0	111.9	A16 S17 F21 Y24 M26 S90	A16-Y19 HydrophobicContact CB-CE1 3.96Å; A16-Y19 HydrophobicContact CB-CE2 4.09Å; A16-Y19 WeakPolarHBondContact CB-OH 3.35Å; S17-Y19 VanDerWaalsContact C-N 3.32Å; S17-Y19 WeakPolarHBondContact O-CD1 3.38Å; S17-Y19 PolarHBondContact O-N 2.99Å; Y19-F21 PolarHBondContact O-N 2.94Å; Y19-F21 VanDerWaalsContact O-N 3.09Å; Y19-Y24 AromaticContact CD2-CD2 3.69Å; Y19-Y24 HydrophobicContact CD2-CD2 3.69Å; Y19-Y24 HydrophobicContact CD2-CE2 4.25Å; Y19-Y24 HydrophobicContact CE2-CD2 4.09Å; Y19-Y24 HydrophobicContact CG-CD2 4.46Å; Y19-M26 WeakPolarHBondContact OH-CE 3.32Å; Y19-S90 WeakPolarHBondContact OH-CB 3.26Å; Y19-S90 PolarHBondContact OH-OG 3.05Å
20	T	88.4	Confident	93.3	Very high	91 Å²	91	51.3 Å²	51.3	56%	0.558	29%	0.292	S	S	*	.			trans	-70.4	103.9	172.9	-60.7	0	0	0	0	109.5	T22 S23	T20-T22 WeakPolarHBondContact CG2-OG1 3.01Å; T20-T22 PolarHBondContact O-N 3.22Å; T20-S23 WeakPolarHBondContact CB-OG 3.41Å; T20-S23 WeakPolarHBondContact CG2-OG 3.45Å; T20-S23 WeakPolarHBondContact O-CB 3.38Å; T20-S23 PolarHBondContact O-N 3.04Å; T20-S23 PolarHBondContact O-OG 2.72Å
21	F	89.4	Confident	93.4	Very high	9 Å²	9	54.2 Å²	54.2	4%	0.039	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-51.8	-34.2	-174.4	175.9	-127	0	0	0	114.5	A16 Y19 S23 M26 P45 V64 S69 A71	A16-F21 HydrophobicContact CB-CB 3.92Å; A16-F21 HydrophobicContact CB-CD2 3.32Å; A16-F21 HydrophobicContact CB-CE2 4.07Å; A16-F21 HydrophobicContact CB-CG 3.9Å; Y19-F21 PolarHBondContact O-N 2.94Å; Y19-F21 VanDerWaalsContact O-N 3.09Å; F21-S23 VanDerWaalsContact C-N 3.31Å; F21-S23 PolarHBondContact O-N 2.77Å; F21-M26 HydrophobicContact CD2-CE 4.41Å; F21-M26 HydrophobicContact CE2-CE 3.89Å; F21-P45 HydrophobicContact CD1-CB 3.94Å; F21-P45 HydrophobicContact CD2-CB 4.29Å; F21-P45 HydrophobicContact CD2-CG 4.19Å; F21-P45 HydrophobicContact CE1-CB 3.69Å; F21-P45 HydrophobicContact CE1-CG 4.37Å; F21-P45 HydrophobicContact CE2-CB 4.04Å; F21-P45 HydrophobicContact CE2-CG 3.83Å; F21-P45 HydrophobicContact CG-CB 4.28Å; F21-P45 HydrophobicContact CZ-CB 3.74Å; F21-P45 HydrophobicContact CZ-CG 3.93Å; F21-P45 WeakPolarHBondContact O-CB 3.31Å; F21-P45 WeakPolarHBondContact O-CG 3.35Å; F21-V64 HydrophobicContact CE1-CG2 3.36Å; F21-V64 HydrophobicContact CZ-CG2 3.59Å; F21-S69 VanDerWaalsContact CD1-CA 3.4Å; F21-S69 VanDerWaalsContact CE1-C 3.49Å; F21-A71 HydrophobicContact CE2-CB 4.3Å; F21-A71 HydrophobicContact CZ-CB 4.06Å
22	T	91.7	Very high	93.3	Very high	59 Å²	59	51.4 Å²	51.4	36%	0.362	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-78.2	-9.4	-179.6	52.5	0	0	0	0	114.7	T20	T20-T22 WeakPolarHBondContact CG2-OG1 3.01Å; T20-T22 PolarHBondContact O-N 3.22Å
23	S	90.9	Very high	93.1	Very high	72 Å²	72	56.8 Å²	56.8	50%	0.503	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-81.1	-18.7	-176.7	-62.8	0	0	0	0	114	T20 F21	T20-S23 WeakPolarHBondContact CB-OG 3.41Å; T20-S23 WeakPolarHBondContact CG2-OG 3.45Å; T20-S23 WeakPolarHBondContact O-CB 3.38Å; T20-S23 PolarHBondContact O-N 3.04Å; T20-S23 PolarHBondContact O-OG 2.72Å; F21-S23 VanDerWaalsContact C-N 3.31Å; F21-S23 PolarHBondContact O-N 2.77Å
24	Y	90.8	Very high	92.9	Very high	97 Å²	97	57.7 Å²	57.7	38%	0.38	35%	0.349	S	S	.	.	S	Bend	trans	-134.4	149.9	-172	-58.8	-61.8	0	0	0	112.1	Y19 P45 S90 N91	Y19-Y24 AromaticContact CD2-CD2 3.69Å; Y19-Y24 HydrophobicContact CD2-CD2 3.69Å; Y19-Y24 HydrophobicContact CD2-CE2 4.25Å; Y19-Y24 HydrophobicContact CE2-CD2 4.09Å; Y19-Y24 HydrophobicContact CG-CD2 4.46Å; Y24-P45 WeakPolarHBondContact O-CD 3.36Å; Y24-P45 VanDerWaalsContact O-CG 3.32Å; Y24-P45 WeakPolarHBondContact O-CG 3.45Å; Y24-S90 VanDerWaalsContact CB-OG 3.26Å; Y24-S90 WeakPolarHBondContact CB-OG 3.23Å; Y24-N91 WeakPolarHBondContact CD1-ND2 2.95Å; Y24-N91 WeakPolarHBondContact CE1-ND2 3.33Å
25	W	95.4	Very high	92.8	Very high	85 Å²	85	61.9 Å²	61.9	32%	0.322	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-70.5	140.7	173.5	-69.6	64.9	0	0	0	109.8	H27 N42 N44 N51	W25-H27 PolarHBondContact O-CD2 2.95Å; W25-N42 HydrophobicContact CE3-CB 4.02Å; W25-N42 WeakPolarHBondContact CZ3-OD1 3.15Å; W25-N44 HydrophobicContact CD2-CB 3.81Å; W25-N44 HydrophobicContact CE3-CB 3.92Å; W25-N44 HydrophobicContact CG-CB 4.45Å; W25-N44 HydrophobicContact CH2-CB 4.04Å; W25-N44 HydrophobicContact CZ2-CB 3.89Å; W25-N44 HydrophobicContact CZ3-CB 4.03Å; W25-N51 VanDerWaalsContact CH2-ND2 3.31Å; W25-N51 WeakPolarHBondContact CH2-ND2 3.22Å; W25-N51 WeakPolarHBondContact CZ3-ND2 2.99Å
26	M	96.7	Very high	92.8	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.01	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	117.3	171	-173.7	64.3	69.9	0	0	108.9	Y19 F21 N42 I43 P45 A71 C88	Y19-M26 WeakPolarHBondContact OH-CE 3.32Å; F21-M26 HydrophobicContact CD2-CE 4.41Å; F21-M26 HydrophobicContact CE2-CE 3.89Å; M26-N42 CarbonylContact O-C 3.51Å; M26-N42 WeakPolarHBondContact O-CA 3.49Å; M26-N42 VanDerWaalsContact O-CB 3.32Å; M26-N42 WeakPolarHBondContact O-CB 3.19Å; M26-I43 HydrophobicContact CB-CG2 4.03Å; M26-I43 PolarHBondContact N-O 3.11Å; M26-I43 PolarHBondContact O-N 2.78Å; M26-P45 HydrophobicContact CB-CG 4.48Å; M26-A71 HydrophobicContact CB-CB 4.01Å; M26-A71 HydrophobicContact CG-CB 3.63Å; M26-C88 HydrophobicContact CG-CB 4.45Å; M26-C88 HydrophobicContact SD-CB 3.78Å
27	H	97.8	Very high	93.1	Very high	21 Å²	21	61.1 Å²	61.1	10%	0.097	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	145.9	178.4	-63.6	-108.5	0	0	0	110.2	W25 W39 N42 C88 A89 F92	W25-H27 PolarHBondContact O-CD2 2.95Å; H27-W39 AromaticContact CG-NE1 3.99Å; H27-W39 AromaticContact ND1-NE1 3.27Å; H27-W39 PolarHBondContact ND1-NE1 3.49Å; H27-N42 HydrophobicContact CB-CB 4.46Å; H27-N42 PolarHBondContact CE1-ND2 2.88Å; H27-N42 VanDerWaalsContact CE1-ND2 3.32Å; H27-C88 CarbonylContact O-C 3.59Å; H27-C88 WeakPolarHBondContact O-CA 3.35Å; H27-A89 HydrophobicContact CB-CB 4.49Å; H27-A89 PolarHBondContact N-O 3.44Å; H27-A89 PolarHBondContact O-N 2.81Å; H27-F92 HydrophobicContact CB-CE1 3.88Å; H27-F92 HydrophobicContact CB-CZ 4.02Å; H27-F92 AromaticContact CE1-CE2 3.66Å; H27-F92 AromaticContact CE1-CZ 3.85Å; H27-F92 AromaticContact CG-CE1 4Å; H27-F92 AromaticContact CG-CZ 3.68Å; H27-F92 AromaticContact ND1-CE2 3.58Å; H27-F92 AromaticContact ND1-CZ 3.26Å; H27-F92 VanDerWaalsContact ND1-CZ 3.26Å; H27-F92 WeakPolarHBondContact ND1-CZ 3.32Å
28	W	98.4	Very high	93.6	Very high	4 Å²	4	58 Å²	58	2%	0.015	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	135.6	172	-70	92.1	0	0	0	110.1	L12 C14 I40 G41 L62 A71 M73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 4.03Å; L12-W28 HydrophobicContact CB-CZ3 3.93Å; C14-W28 HydrophobicContact CB-CH2 3.8Å; C14-W28 HydrophobicContact CB-CZ2 3.94Å; W28-I40 HydrophobicContact CB-CB 4.19Å; W28-I40 HydrophobicContact CB-CD1 4.36Å; W28-I40 WeakPolarHBondContact O-CB 3.44Å; W28-I40 PolarHBondContact O-N 3.05Å; W28-G41 PolarHBondContact N-O 2.91Å; W28-L62 HydrophobicContact CG-CD2 4.11Å; W28-A71 HydrophobicContact CZ2-CB 4.47Å; W28-M73 HydrophobicContact CB-SD 3.88Å; W28-M73 HydrophobicContact CD2-CB 3.64Å; W28-M73 HydrophobicContact CD2-CE 4.23Å; W28-M73 HydrophobicContact CD2-CG 4.47Å; W28-M73 HydrophobicContact CD2-SD 4.1Å; W28-M73 HydrophobicContact CE3-CB 3.96Å; W28-M73 HydrophobicContact CE3-CE 3.74Å; W28-M73 HydrophobicContact CE3-SD 4.21Å; W28-M73 HydrophobicContact CG-CB 4.12Å; W28-M73 HydrophobicContact CG-SD 3.97Å; W28-M73 HydrophobicContact CH2-CB 4.15Å; W28-M73 HydrophobicContact CZ2-CB 3.87Å; W28-M73 HydrophobicContact CZ3-CB 4.19Å; W28-M73 HydrophobicContact CZ3-CE 4.28Å; W28-Y87 WeakPolarHBondContact CA-O 3.4Å; W28-C88 HydrophobicContact CD2-CB 4.44Å; W28-C88 HydrophobicContact CE3-CB 4.24Å; W28-C88 HydrophobicContact CH2-CB 4.36Å; W28-C88 HydrophobicContact CZ3-CB 4.2Å
29	V	98.4	Very high	94.2	Very high	4 Å²	4	57.5 Å²	57.5	2%	0.024	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	136.5	-172.7	-176	0	0	0	0	109.5	L37 E38 Y86 Y87 F92 W95	V29-L37 HydrophobicContact CG1-CB 3.76Å; V29-L37 HydrophobicContact CG1-CD2 3.94Å; V29-L37 HydrophobicContact CG1-CG 4.28Å; V29-E38 CarbonylContact C-O 3.49Å; V29-E38 WeakPolarHBondContact CA-O 3.11Å; V29-Y86 CarbonylContact O-C 3.57Å; V29-Y86 WeakPolarHBondContact O-CA 3.35Å; V29-Y87 PolarHBondContact N-O 2.81Å; V29-Y87 PolarHBondContact O-N 2.9Å; V29-F92 HydrophobicContact CG2-CE1 4.17Å; V29-W95 HydrophobicContact CB-CH2 4.44Å; V29-W95 HydrophobicContact CB-CZ3 4.05Å; V29-W95 HydrophobicContact CG1-CH2 4.4Å; V29-W95 HydrophobicContact CG1-CZ3 4.24Å; V29-W95 HydrophobicContact CG2-CH2 3.96Å; V29-W95 HydrophobicContact CG2-CZ3 3.92Å
30	K	97.9	Very high	95	Very high	1 Å²	1	54.7 Å²	54.7	0%	0.004	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	141	174.4	-178.3	-179.9	-178.4	-179.8	0	109.9	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.37Å; K30-E38 PolarHBondContact N-O 2.92Å; K30-E38 PolarHBondContact O-N 2.88Å; K30-I40 HydrophobicContact CB-CD1 3.92Å; K30-I40 HydrophobicContact CB-CG1 4.26Å; K30-F56 HydrophobicContact CD-CE1 3.99Å; K30-F56 HydrophobicContact CD-CZ 4.21Å; K30-E81 PolarHBondContact NZ-O 2.84Å; K30-D82 IonicContact NZ-OD1 3.98Å; K30-A84 HydrophobicContact CD-CB 4.22Å; K30-A84 HydrophobicContact CG-CB 3.58Å; K30-Y86 HydrophobicContact CB-CD1 4.14Å; K30-Y86 HydrophobicContact CB-CE1 3.94Å; K30-Y86 HydrophobicContact CD-CE1 4.01Å; K30-Y86 HydrophobicContact CG-CD1 4.33Å; K30-Y86 HydrophobicContact CG-CE1 3.83Å
31	Q	97.9	Very high	95.5	Very high	66 Å²	66	50.4 Å²	50.4	31%	0.308	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	114.4	171.1	-169.6	-178.3	32.5	0	0	110	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.84Å; Q31-L37 HydrophobicContact CG-CD2 3.94Å; Q31-A84 WeakPolarHBondContact O-CA 3.38Å; Q31-A84 VanDerWaalsContact O-CB 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.24Å; Q31-V85 PolarHBondContact N-O 3.07Å; Q31-V85 PolarHBondContact O-N 2.91Å; Q31-Y87 HydrophobicContact CB-CD2 4.41Å; Q31-Y87 HydrophobicContact CB-CE2 3.72Å; Q31-Y87 PolarHBondContact OE1-OH 3.39Å
32	R	95.7	Very high	95.9	Very high	58 Å²	58	50.7 Å²	50.7	22%	0.219	29%	0.29	C	S	.	.			trans	-83.3	151.5	170.2	-59.8	-163.7	-172.2	90.9	-1.3	110.3	G34 Q35 E38 E81 A84	R32-G34 PolarHBondContact O-N 2.82Å; R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4.02Å; R32-Q35 PolarHBondContact O-N 2.8Å; R32-E38 IonicContact CZ-OE1 3.89Å; R32-E38 IonicContact NH1-OE1 3.64Å; R32-E38 PolarHBondContact NH1-OE1 3.05Å; R32-E38 IonicContact NH1-OE2 3.44Å; R32-E38 IonicContact NH2-OE1 2.72Å; R32-E81 PolarHBondContact NE-O 2.95Å; R32-A84 HydrophobicContact CG-CB 4.35Å
33	P	92.4	Very high	96.2	Very high	119 Å²	119	48 Å²	48	77%	0.773	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	127.1	173	-25.3	34.6	0	0	0	111.5	Q35	P33-Q35 PolarHBondContact O-N 2.95Å
34	G	93.6	Very high	96.5	Very high	94 Å²	94	45.6 Å²	45.6	97%	0.969	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	5.5	-179.8	0	0	0	0	0	115.8	R32	R32-G34 PolarHBondContact O-N 2.82Å
35	Q	94.1	Very high	96.7	Very high	102 Å²	102	41 Å²	41	48%	0.477	24%	0.236	S	C	.	.	S	Bend	trans	-112.9	161.4	176.7	-59.1	-172.6	-1.8	0	0	111.6	R32 P33	R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4.02Å; R32-Q35 PolarHBondContact O-N 2.8Å; P33-Q35 PolarHBondContact O-N 2.95Å
36	G	94.9	Very high	96.7	Very high	55 Å²	55	39.4 Å²	39.4	57%	0.567	24%	0.238	S	C	*	.			trans	-68.1	175.1	172.9	0	0	0	0	0	113.2
37	L	96.7	Very high	96.6	Very high	95 Å²	95	44.6 Å²	44.6	50%	0.497	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	129.3	174.3	-64.2	178	0	0	0	110.6	V29 Q31 W95	V29-L37 HydrophobicContact CG1-CB 3.76Å; V29-L37 HydrophobicContact CG1-CD2 3.94Å; V29-L37 HydrophobicContact CG1-CG 4.28Å; Q31-L37 HydrophobicContact CB-CD2 3.84Å; Q31-L37 HydrophobicContact CG-CD2 3.94Å; L37-W95 HydrophobicContact CD1-CH2 3.85Å; L37-W95 HydrophobicContact CD1-CZ3 4.34Å
38	E	97.6	Very high	96.6	Very high	37 Å²	37	45.2 Å²	45.2	17%	0.173	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	113.4	174.6	-64.1	-171.6	-90.7	0	0	109.7	V29 K30 R32 I40 F56	V29-E38 CarbonylContact C-O 3.49Å; V29-E38 WeakPolarHBondContact CA-O 3.11Å; K30-E38 HydrophobicContact CB-CB 4.37Å; K30-E38 PolarHBondContact N-O 2.92Å; K30-E38 PolarHBondContact O-N 2.88Å; R32-E38 IonicContact CZ-OE1 3.89Å; R32-E38 IonicContact NH1-OE1 3.64Å; R32-E38 PolarHBondContact NH1-OE1 3.05Å; R32-E38 IonicContact NH1-OE2 3.44Å; R32-E38 IonicContact NH2-OE1 2.72Å; E38-I40 PolarHBondContact O-N 3.45Å; E38-F56 HydrophobicContact CB-CE2 4.43Å; E38-F56 HydrophobicContact CB-CZ 4.29Å
39	W	97.9	Very high	96.5	Very high	78 Å²	78	46.4 Å²	46.4	30%	0.295	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	126.9	175.1	-178.2	73	0	0	0	110.7	H27 G41 N42 N51 N53 F92	H27-W39 AromaticContact CG-NE1 3.99Å; H27-W39 AromaticContact ND1-NE1 3.27Å; H27-W39 PolarHBondContact ND1-NE1 3.49Å; W39-G41 VanDerWaalsContact CE2-C 3.48Å; W39-G41 PolarHBondContact NE1-O 2.57Å; W39-G41 VanDerWaalsContact NE1-O 3.1Å; W39-N42 HydrophobicContact CZ2-CB 4.01Å; W39-N51 HydrophobicContact CH2-CB 4.13Å; W39-N53 HydrophobicContact CE3-CB 3.9Å; W39-N53 HydrophobicContact CZ3-CB 4.08Å; W39-N53 VanDerWaalsContact O-CB 3.23Å; W39-N53 WeakPolarHBondContact O-CB 3.08Å; W39-N53 PolarHBondContact O-ND2 3.06Å; W39-F92 AromaticContact CD1-CZ 4Å
40	I	98.3	Very high	96.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-47.4	-178.5	-69.8	160.7	0	0	0	110.8	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.19Å; W28-I40 HydrophobicContact CB-CD1 4.36Å; W28-I40 WeakPolarHBondContact O-CB 3.44Å; W28-I40 PolarHBondContact O-N 3.05Å; K30-I40 HydrophobicContact CB-CD1 3.92Å; K30-I40 HydrophobicContact CB-CG1 4.26Å; E38-I40 PolarHBondContact O-N 3.45Å; I40-N53 PolarHBondContact O-N 3.18Å; I40-F56 HydrophobicContact CB-CB 4.48Å; I40-F56 HydrophobicContact CB-CD2 4.31Å; I40-F56 HydrophobicContact CB-CG 4.26Å; I40-F56 HydrophobicContact CG1-CD1 3.99Å; I40-F56 HydrophobicContact CG1-CD2 4.06Å; I40-F56 HydrophobicContact CG1-CE1 4.08Å; I40-F56 HydrophobicContact CG1-CE2 4.13Å; I40-F56 HydrophobicContact CG1-CG 3.98Å; I40-F56 HydrophobicContact CG1-CZ 4.14Å; I40-F56 HydrophobicContact CG2-CB 3.8Å; I40-F56 HydrophobicContact CG2-CG 4.05Å; I40-A60 HydrophobicContact CG2-CB 3.78Å; I40-M73 HydrophobicContact CD1-CE 4.02Å; I40-M73 HydrophobicContact CD1-SD 3.8Å; I40-M73 HydrophobicContact CG2-SD 3.9Å; I40-Y86 HydrophobicContact CD1-CD1 3.77Å; I40-Y86 HydrophobicContact CD1-CE1 3.83Å
41	G	98.2	Very high	96.5	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.4	177.5	-170.1	0	0	0	0	0	111.9	W28 W39 N51	W28-G41 PolarHBondContact N-O 2.91Å; W39-G41 VanDerWaalsContact CE2-C 3.48Å; W39-G41 PolarHBondContact NE1-O 2.57Å; W39-G41 VanDerWaalsContact NE1-O 3.1Å; G41-N51 CarbonylContact C-O 3.56Å; G41-N51 WeakPolarHBondContact CA-O 3.46Å
42	N	97.9	Very high	96.5	Very high	16 Å²	16	51.9 Å²	51.9	9%	0.086	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	158.9	171.8	63.5	21.8	0	0	0	111.6	W25 M26 H27 W39 T50 N51 L62	W25-N42 HydrophobicContact CE3-CB 4.02Å; W25-N42 WeakPolarHBondContact CZ3-OD1 3.15Å; M26-N42 CarbonylContact O-C 3.51Å; M26-N42 WeakPolarHBondContact O-CA 3.49Å; M26-N42 VanDerWaalsContact O-CB 3.32Å; M26-N42 WeakPolarHBondContact O-CB 3.19Å; H27-N42 HydrophobicContact CB-CB 4.46Å; H27-N42 PolarHBondContact CE1-ND2 2.88Å; H27-N42 VanDerWaalsContact CE1-ND2 3.32Å; W39-N42 HydrophobicContact CZ2-CB 4.01Å; N42-T50 VanDerWaalsContact O-CA 3.28Å; N42-T50 WeakPolarHBondContact O-CA 3.05Å; N42-N51 PolarHBondContact N-O 3.38Å; N42-N51 PolarHBondContact O-N 3.19Å; N42-N51 WeakPolarHBondContact OD1-CB 3.33Å; N42-N51 PolarHBondContact OD1-N 3.47Å; N42-N51 PolarHBondContact OD1-ND2 2.83Å; N42-N51 VanDerWaalsContact OD1-ND2 3.08Å; N42-L62 WeakPolarHBondContact O-CD1 3.42Å
43	I	98.1	Very high	96.6	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.015	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	135.5	174	-174.7	165.8	0	0	0	109	M26 P45 G49 T50 L62 V64 A71	M26-I43 HydrophobicContact CB-CG2 4.03Å; M26-I43 PolarHBondContact N-O 3.11Å; M26-I43 PolarHBondContact O-N 2.78Å; I43-P45 VanDerWaalsContact O-CD 3.25Å; I43-P45 WeakPolarHBondContact O-CD 3.45Å; I43-G49 CarbonylContact C-O 3.56Å; I43-G49 WeakPolarHBondContact CA-O 3.17Å; I43-T50 HydrophobicContact CB-CG2 3.98Å; I43-T50 HydrophobicContact CD1-CG2 3.91Å; I43-T50 HydrophobicContact CG1-CG2 3.78Å; I43-L62 HydrophobicContact CB-CB 4.1Å; I43-L62 HydrophobicContact CB-CD1 4.38Å; I43-L62 HydrophobicContact CD1-CB 4.28Å; I43-L62 HydrophobicContact CG2-CB 4.45Å; I43-V64 HydrophobicContact CD1-CB 4.03Å; I43-V64 HydrophobicContact CD1-CG1 3.98Å; I43-A71 HydrophobicContact CG2-CB 4.39Å
44	N	96.8	Very high	96.8	Very high	20 Å²	20	52 Å²	52	11%	0.107	32%	0.315	C	S	.	.			trans	-82.7	111.3	170	-175.9	-23.5	0	0	0	108.9	W25 S46 N47 G48 G49	W25-N44 HydrophobicContact CD2-CB 3.81Å; W25-N44 HydrophobicContact CE3-CB 3.92Å; W25-N44 HydrophobicContact CG-CB 4.45Å; W25-N44 HydrophobicContact CH2-CB 4.04Å; W25-N44 HydrophobicContact CZ2-CB 3.89Å; W25-N44 HydrophobicContact CZ3-CB 4.03Å; N44-S46 VanDerWaalsContact CG-OG 3.31Å; N44-S46 PolarHBondContact ND2-OG 3.35Å; N44-S46 PolarHBondContact O-N 3.05Å; N44-S46 WeakPolarHBondContact OD1-CB 3.31Å; N44-S46 PolarHBondContact OD1-N 3.16Å; N44-S46 PolarHBondContact OD1-OG 2.97Å; N44-N47 WeakPolarHBondContact CB-OD1 3.15Å; N44-N47 PolarHBondContact O-N 2.8Å; N44-G48 VanDerWaalsContact O-CA 3.3Å; N44-G48 WeakPolarHBondContact O-CA 3.36Å; N44-G48 PolarHBondContact O-N 2.78Å; N44-G49 PolarHBondContact N-O 2.87Å
45	P	95.7	Very high	96.9	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-18.3	-177.5	-21.1	36.5	0	0	0	113.4	F21 Y24 M26 I43 V64 K66	F21-P45 HydrophobicContact CD1-CB 3.94Å; F21-P45 HydrophobicContact CD2-CB 4.29Å; F21-P45 HydrophobicContact CD2-CG 4.19Å; F21-P45 HydrophobicContact CE1-CB 3.69Å; F21-P45 HydrophobicContact CE1-CG 4.37Å; F21-P45 HydrophobicContact CE2-CB 4.04Å; F21-P45 HydrophobicContact CE2-CG 3.83Å; F21-P45 HydrophobicContact CG-CB 4.28Å; F21-P45 HydrophobicContact CZ-CB 3.74Å; F21-P45 HydrophobicContact CZ-CG 3.93Å; F21-P45 WeakPolarHBondContact O-CB 3.31Å; F21-P45 WeakPolarHBondContact O-CG 3.35Å; Y24-P45 WeakPolarHBondContact O-CD 3.36Å; Y24-P45 VanDerWaalsContact O-CG 3.32Å; Y24-P45 WeakPolarHBondContact O-CG 3.45Å; M26-P45 HydrophobicContact CB-CG 4.48Å; I43-P45 VanDerWaalsContact O-CD 3.25Å; I43-P45 WeakPolarHBondContact O-CD 3.45Å; P45-V64 HydrophobicContact CB-CG2 3.98Å; P45-K66 WeakPolarHBondContact O-CE 3.26Å
46	S	95.5	Very high	97	Very high	52 Å²	52	50.5 Å²	50.5	36%	0.364	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-39.8	179	71.4	0	0	0	0	113.4	N44 K66	N44-S46 VanDerWaalsContact CG-OG 3.31Å; N44-S46 PolarHBondContact ND2-OG 3.35Å; N44-S46 PolarHBondContact O-N 3.05Å; N44-S46 WeakPolarHBondContact OD1-CB 3.31Å; N44-S46 PolarHBondContact OD1-N 3.16Å; N44-S46 PolarHBondContact OD1-OG 2.97Å; S46-K66 WeakPolarHBondContact O-CE 3.5Å; S46-K66 PolarHBondContact O-NZ 3Å
47	N	95.5	Very high	97	Very high	112 Å²	112	53.3 Å²	53.3	60%	0.599	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.5	-4.7	-172.2	66.5	13.2	0	0	0	114.3	N44 G49	N44-N47 WeakPolarHBondContact CB-OD1 3.15Å; N44-N47 PolarHBondContact O-N 2.8Å; N47-G49 VanDerWaalsContact C-N 3.29Å; N47-G49 PolarHBondContact O-N 2.9Å; N47-G49 PolarHBondContact OD1-N 3.24Å
48	G	96.1	Very high	96.9	Very high	33 Å²	33	54.1 Å²	54.1	34%	0.34	29%	0.291	S	S	.	.			trans	78.7	6.1	179.4	0	0	0	0	0	114.7	N44	N44-G48 VanDerWaalsContact O-CA 3.3Å; N44-G48 WeakPolarHBondContact O-CA 3.36Å; N44-G48 PolarHBondContact O-N 2.78Å
49	G	97.8	Very high	96.9	Very high	29 Å²	29	54.3 Å²	54.3	30%	0.299	29%	0.291	S	S	.	.			trans	-60.1	136.5	175.4	0	0	0	0	0	111.2	I43 N44 N47	I43-G49 CarbonylContact C-O 3.56Å; I43-G49 WeakPolarHBondContact CA-O 3.17Å; N44-G49 PolarHBondContact N-O 2.87Å; N47-G49 VanDerWaalsContact C-N 3.29Å; N47-G49 PolarHBondContact O-N 2.9Å; N47-G49 PolarHBondContact OD1-N 3.24Å
50	T	98.3	Very high	96.9	Very high	55 Å²	55	50.7 Å²	50.7	34%	0.337	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	143.5	-176.4	51.6	0	0	0	0	111.4	N42 I43 Y52 L62	N42-T50 VanDerWaalsContact O-CA 3.28Å; N42-T50 WeakPolarHBondContact O-CA 3.05Å; I43-T50 HydrophobicContact CB-CG2 3.98Å; I43-T50 HydrophobicContact CD1-CG2 3.91Å; I43-T50 HydrophobicContact CG1-CG2 3.78Å; T50-Y52 HydrophobicContact CG2-CE2 4.46Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.05Å; T50-L62 HydrophobicContact CG2-CB 3.96Å
51	N	98.1	Very high	96.9	Very high	79 Å²	79	54 Å²	54	42%	0.422	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	149.6	164.5	-56.5	-65.9	0	0	0	109.3	W25 W39 G41 N42	W25-N51 VanDerWaalsContact CH2-ND2 3.31Å; W25-N51 WeakPolarHBondContact CH2-ND2 3.22Å; W25-N51 WeakPolarHBondContact CZ3-ND2 2.99Å; W39-N51 HydrophobicContact CH2-CB 4.13Å; G41-N51 CarbonylContact C-O 3.56Å; G41-N51 WeakPolarHBondContact CA-O 3.46Å; N42-N51 PolarHBondContact N-O 3.38Å; N42-N51 PolarHBondContact O-N 3.19Å; N42-N51 WeakPolarHBondContact OD1-CB 3.33Å; N42-N51 PolarHBondContact OD1-N 3.47Å; N42-N51 PolarHBondContact OD1-ND2 2.83Å; N42-N51 VanDerWaalsContact OD1-ND2 3.08Å
52	Y	98.3	Very high	96.9	Very high	53 Å²	53	54.5 Å²	54.5	21%	0.208	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	149.6	-178.8	-65.5	-89.7	0	0	0	110.5	T50 K57 A60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.46Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.05Å; Y52-K57 HydrophobicContact CD2-CG 4.47Å; Y52-K57 HydrophobicContact CG-CB 4.49Å; Y52-K57 HydrophobicContact CG-CG 4.31Å; Y52-A60 HydrophobicContact CE1-CB 4.36Å; Y52-A60 WeakPolarHBondContact CE1-O 2.97Å; Y52-L62 HydrophobicContact CE1-CD1 4.01Å; Y52-L62 HydrophobicContact CE1-CG 3.7Å; Y52-L62 PolarHBondContact OH-N 3.27Å
53	N	97.7	Very high	96.9	Very high	47 Å²	47	56.5 Å²	56.5	25%	0.251	31%	0.314	S	S	.	.			trans	-73.3	131.1	154.3	-179.9	-23	0	0	0	108.2	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.9Å; W39-N53 HydrophobicContact CZ3-CB 4.08Å; W39-N53 VanDerWaalsContact O-CB 3.23Å; W39-N53 WeakPolarHBondContact O-CB 3.08Å; W39-N53 PolarHBondContact O-ND2 3.06Å; I40-N53 PolarHBondContact O-N 3.18Å; N53-K55 PolarHBondContact O-N 3.08Å; N53-K55 PolarHBondContact OD1-N 2.85Å; N53-K55 VanDerWaalsContact OD1-N 3.16Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 2.88Å; N53-K57 PolarHBondContact O-N 3.22Å
54	E	96.8	Very high	96.9	Very high	132 Å²	132	58.1 Å²	58.1	62%	0.617	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-30.7	-176	-70.1	-61.7	149	0	0	112.8	F56 K57	E54-F56 PolarHBondContact O-N 2.88Å; E54-K57 PolarHBondContact O-N 2.83Å; E54-K57 IonicContact OE1-NZ 2.83Å; E54-K57 PolarHBondContact OE1-NZ 2.82Å; E54-K57 VanDerWaalsContact OE2-CD 3.22Å; E54-K57 WeakPolarHBondContact OE2-CD 3.14Å; E54-K57 IonicContact OE2-NZ 3.38Å; E54-K57 PolarHBondContact OE2-NZ 2.85Å
55	K	94.8	Very high	96.8	Very high	153 Å²	153	59.7 Å²	59.7	67%	0.665	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-28.2	175.4	-67.7	-174.9	-178.2	-178.3	0	114.2	N53	N53-K55 PolarHBondContact O-N 3.08Å; N53-K55 PolarHBondContact OD1-N 2.85Å; N53-K55 VanDerWaalsContact OD1-N 3.16Å
56	F	96.4	Very high	96.7	Very high	12 Å²	12	65 Å²	65	5%	0.053	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-6.3	-173	-60.9	-82.8	0	0	0	113.3	K30 E38 I40 N53 E54 S58 K59 A60	K30-F56 HydrophobicContact CD-CE1 3.99Å; K30-F56 HydrophobicContact CD-CZ 4.21Å; E38-F56 HydrophobicContact CB-CE2 4.43Å; E38-F56 HydrophobicContact CB-CZ 4.29Å; I40-F56 HydrophobicContact CB-CB 4.48Å; I40-F56 HydrophobicContact CB-CD2 4.31Å; I40-F56 HydrophobicContact CB-CG 4.26Å; I40-F56 HydrophobicContact CG1-CD1 3.99Å; I40-F56 HydrophobicContact CG1-CD2 4.06Å; I40-F56 HydrophobicContact CG1-CE1 4.08Å; I40-F56 HydrophobicContact CG1-CE2 4.13Å; I40-F56 HydrophobicContact CG1-CG 3.98Å; I40-F56 HydrophobicContact CG1-CZ 4.14Å; I40-F56 HydrophobicContact CG2-CB 3.8Å; I40-F56 HydrophobicContact CG2-CG 4.05Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 2.88Å; E54-F56 PolarHBondContact O-N 2.88Å; F56-S58 VanDerWaalsContact C-N 3.26Å; F56-S58 PolarHBondContact O-N 2.88Å; F56-K59 PolarHBondContact O-N 3.18Å; F56-A60 HydrophobicContact CB-CB 4.44Å; F56-A60 PolarHBondContact O-N 3.32Å
57	K	95	Very high	96.6	Very high	113 Å²	113	67.8 Å²	67.8	49%	0.491	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-32.8	-173.1	-168.5	177.8	-171.1	173.9	0	114	Y52 N53 E54	Y52-K57 HydrophobicContact CD2-CG 4.47Å; Y52-K57 HydrophobicContact CG-CB 4.49Å; Y52-K57 HydrophobicContact CG-CG 4.31Å; N53-K57 PolarHBondContact O-N 3.22Å; E54-K57 PolarHBondContact O-N 2.83Å; E54-K57 IonicContact OE1-NZ 2.83Å; E54-K57 PolarHBondContact OE1-NZ 2.82Å; E54-K57 VanDerWaalsContact OE2-CD 3.22Å; E54-K57 WeakPolarHBondContact OE2-CD 3.14Å; E54-K57 IonicContact OE2-NZ 3.38Å; E54-K57 PolarHBondContact OE2-NZ 2.85Å
58	S	95.3	Very high	96.6	Very high	113 Å²	113	64.2 Å²	64.2	79%	0.79	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-11.3	175.8	58.5	0	0	0	0	113.8	F56	F56-S58 VanDerWaalsContact C-N 3.26Å; F56-S58 PolarHBondContact O-N 2.88Å
59	K	95.9	Very high	96.5	Very high	40 Å²	40	64.8 Å²	64.8	17%	0.174	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-31.5	-168.1	-161.1	165.6	-164.3	172.8	0	113.7	F56 L75 S76 D82	F56-K59 PolarHBondContact O-N 3.18Å; K59-L75 WeakPolarHBondContact O-CA 3.25Å; K59-S76 WeakPolarHBondContact CE-O 2.96Å; K59-S76 WeakPolarHBondContact CG-O 3.1Å; K59-S76 PolarHBondContact O-N 2.85Å; K59-S76 PolarHBondContact O-OG 2.85Å; K59-D82 WeakPolarHBondContact CE-OD1 3.42Å; K59-D82 WeakPolarHBondContact CE-OD2 3.21Å; K59-D82 IonicContact NZ-OD1 2.8Å; K59-D82 PolarHBondContact NZ-OD1 2.94Å; K59-D82 IonicContact NZ-OD2 2.57Å; K59-D82 PolarHBondContact NZ-OD2 3.45Å
60	A	98	Very high	96.5	Very high	2 Å²	2	63.8 Å²	63.8	2%	0.017	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	132.9	-177.6	0	0	0	0	0	110.8	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.78Å; Y52-A60 HydrophobicContact CE1-CB 4.36Å; Y52-A60 WeakPolarHBondContact CE1-O 2.97Å; F56-A60 HydrophobicContact CB-CB 4.44Å; F56-A60 PolarHBondContact O-N 3.32Å; A60-M73 HydrophobicContact CB-CG 4.27Å; A60-M73 HydrophobicContact CB-SD 4.25Å; A60-Q74 CarbonylContact C-O 3.56Å; A60-Q74 WeakPolarHBondContact CA-O 3.35Å; A60-L75 HydrophobicContact CB-CD2 3.97Å
61	T	98.4	Very high	96.5	Very high	71 Å²	71	61.2 Å²	61.2	44%	0.436	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	119.9	169.2	-59.2	0	0	0	0	108.9	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.35Å; T61-M73 WeakPolarHBondContact O-CA 3.13Å; T61-Q74 PolarHBondContact N-O 2.88Å; T61-Q74 PolarHBondContact O-N 2.82Å
62	L	98.5	Very high	96.5	Very high	10 Å²	10	59.8 Å²	59.8	5%	0.052	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	132.7	178.9	-52.7	-176.2	0	0	0	110.8	W28 N42 I43 T50 Y52 Y72 M73	W28-L62 HydrophobicContact CG-CD2 4.11Å; N42-L62 WeakPolarHBondContact O-CD1 3.42Å; I43-L62 HydrophobicContact CB-CB 4.1Å; I43-L62 HydrophobicContact CB-CD1 4.38Å; I43-L62 HydrophobicContact CD1-CB 4.28Å; I43-L62 HydrophobicContact CG2-CB 4.45Å; T50-L62 HydrophobicContact CG2-CB 3.96Å; Y52-L62 HydrophobicContact CE1-CD1 4.01Å; Y52-L62 HydrophobicContact CE1-CG 3.7Å; Y52-L62 PolarHBondContact OH-N 3.27Å; L62-Y72 WeakPolarHBondContact CA-O 3.32Å; L62-M73 HydrophobicContact CD2-CB 3.68Å; L62-M73 HydrophobicContact CD2-CG 3.63Å; L62-M73 HydrophobicContact CD2-SD 4.16Å
63	T	98.2	Very high	96.5	Very high	57 Å²	57	57.3 Å²	57.3	35%	0.35	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	164	176.7	57.4	0	0	0	0	110.9	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.35Å; T63-Y72 PolarHBondContact N-O 2.97Å; T63-Y72 PolarHBondContact O-N 3.47Å
64	V	97.4	Very high	96.5	Very high	37 Å²	37	59.2 Å²	59.2	22%	0.224	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	138.4	179.6	59.3	0	0	0	0	110.8	F21 I43 P45 K66	F21-V64 HydrophobicContact CE1-CG2 3.36Å; F21-V64 HydrophobicContact CZ-CG2 3.59Å; I43-V64 HydrophobicContact CD1-CB 4.03Å; I43-V64 HydrophobicContact CD1-CG1 3.98Å; P45-V64 HydrophobicContact CB-CG2 3.98Å; V64-K66 HydrophobicContact CG2-CG 4.37Å
65	D	95.9	Very high	96.5	Very high	54 Å²	54	53 Å²	53	29%	0.289	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	107.7	163.8	175.6	10.6	0	0	0	109.1	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 WeakPolarHBondContact OD1-CB 3.48Å; D65-S67 PolarHBondContact OD1-N 2.93Å; D65-S67 PolarHBondContact OD1-OG 2.99Å; D65-S67 PolarHBondContact OD2-OG 3.1Å; D65-S68 VanDerWaalsContact OD2-CB 3.29Å; D65-S68 WeakPolarHBondContact OD2-CB 3.2Å; D65-S68 PolarHBondContact OD2-OG 3.36Å; D65-S69 PolarHBondContact O-N 2.87Å; D65-S69 VanDerWaalsContact O-N 3.16Å; D65-T70 PolarHBondContact N-O 3.33Å; D65-T70 PolarHBondContact O-N 3.21Å; D65-Y72 HydrophobicContact CB-CE2 3.88Å
66	K	93.5	Very high	96.6	Very high	111 Å²	111	47.3 Å²	47.3	48%	0.483	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-30.3	-179.3	-57.7	-176.1	-163.4	179.5	0	112	P45 S46 V64 S68 S69	P45-K66 WeakPolarHBondContact O-CE 3.26Å; S46-K66 WeakPolarHBondContact O-CE 3.5Å; S46-K66 PolarHBondContact O-NZ 3Å; V64-K66 HydrophobicContact CG2-CG 4.37Å; K66-S68 VanDerWaalsContact C-N 3.35Å; K66-S68 PolarHBondContact O-N 2.89Å; K66-S69 PolarHBondContact O-N 2.84Å
67	S	92.8	Very high	96.6	Very high	111 Å²	111	50.6 Å²	50.6	78%	0.776	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-38.6	-176.4	72.5	0	0	0	0	111.7	D65	D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 WeakPolarHBondContact OD1-CB 3.48Å; D65-S67 PolarHBondContact OD1-N 2.93Å; D65-S67 PolarHBondContact OD1-OG 2.99Å; D65-S67 PolarHBondContact OD2-OG 3.1Å
68	S	94.9	Very high	96.7	Very high	37 Å²	37	45.3 Å²	45.3	26%	0.259	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-1.4	176.6	66.6	0	0	0	0	113.9	D65 K66 T70	D65-S68 VanDerWaalsContact OD2-CB 3.29Å; D65-S68 WeakPolarHBondContact OD2-CB 3.2Å; D65-S68 PolarHBondContact OD2-OG 3.36Å; K66-S68 VanDerWaalsContact C-N 3.35Å; K66-S68 PolarHBondContact O-N 2.89Å; S68-T70 VanDerWaalsContact C-N 3.26Å; S68-T70 PolarHBondContact O-N 3.28Å; S68-T70 PolarHBondContact O-OG1 2.02Å; S68-T70 WeakPolarHBondContact OG-CB 3.36Å; S68-T70 PolarHBondContact OG-OG1 2.8Å
69	S	95.3	Very high	96.7	Very high	44 Å²	44	42.6 Å²	42.6	31%	0.308	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	43	-171.8	-62.5	0	0	0	0	113.1	A16 F21 D65 K66	A16-S69 PolarHBondContact N-O 2.9Å; F21-S69 VanDerWaalsContact CD1-CA 3.4Å; F21-S69 VanDerWaalsContact CE1-C 3.49Å; D65-S69 PolarHBondContact O-N 2.87Å; D65-S69 VanDerWaalsContact O-N 3.16Å; K66-S69 PolarHBondContact O-N 2.84Å
70	T	96.9	Very high	96.7	Very high	9 Å²	9	44.8 Å²	44.8	6%	0.055	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	129.5	-174.4	-49.4	0	0	0	0	111	C14 K15 D65 S68 Y72	C14-T70 WeakPolarHBondContact O-CA 3.25Å; K15-T70 HydrophobicContact CB-CG2 4.48Å; D65-T70 PolarHBondContact N-O 3.33Å; D65-T70 PolarHBondContact O-N 3.21Å; S68-T70 VanDerWaalsContact C-N 3.26Å; S68-T70 PolarHBondContact O-N 3.28Å; S68-T70 PolarHBondContact O-OG1 2.02Å; S68-T70 WeakPolarHBondContact OG-CB 3.36Å; S68-T70 PolarHBondContact OG-OG1 2.8Å; T70-Y72 HydrophobicContact CG2-CD1 4.23Å; T70-Y72 HydrophobicContact CG2-CD2 4.36Å; T70-Y72 HydrophobicContact CG2-CE1 3.64Å; T70-Y72 HydrophobicContact CG2-CE2 3.76Å
71	A	97.4	Very high	96.4	Very high	0 Å²	0	51 Å²	51	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	148.7	166.2	0	0	0	0	0	109.6	S13 C14 F21 M26 W28 I43	S13-A71 CarbonylContact C-O 3.52Å; S13-A71 WeakPolarHBondContact CA-O 3.41Å; C14-A71 PolarHBondContact N-O 2.8Å; C14-A71 PolarHBondContact O-N 2.79Å; F21-A71 HydrophobicContact CE2-CB 4.3Å; F21-A71 HydrophobicContact CZ-CB 4.06Å; M26-A71 HydrophobicContact CB-CB 4.01Å; M26-A71 HydrophobicContact CG-CB 3.63Å; W28-A71 HydrophobicContact CZ2-CB 4.47Å; I43-A71 HydrophobicContact CG2-CB 4.39Å
72	Y	98.1	Very high	96.3	Very high	50 Å²	50	47.8 Å²	47.8	20%	0.196	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	147.8	177.2	-55.1	-89.9	0	0	0	111.2	K11 L12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.3Å; K11-Y72 VanDerWaalsContact CE-CB 3.46Å; K11-Y72 VanDerWaalsContact CE-CD1 3.44Å; K11-Y72 HydrophobicContact CG-CD1 4.24Å; L12-Y72 CarbonylContact O-C 3.47Å; L12-Y72 WeakPolarHBondContact O-CA 3.33Å; L12-Y72 WeakPolarHBondContact O-CB 3.38Å; S13-Y72 VanDerWaalsContact CB-CD1 3.46Å; S13-Y72 VanDerWaalsContact CB-CE1 3.41Å; L62-Y72 WeakPolarHBondContact CA-O 3.32Å; T63-Y72 PolarHBondContact N-O 2.97Å; T63-Y72 PolarHBondContact O-N 3.47Å; D65-Y72 HydrophobicContact CB-CE2 3.88Å; T70-Y72 HydrophobicContact CG2-CD1 4.23Å; T70-Y72 HydrophobicContact CG2-CD2 4.36Å; T70-Y72 HydrophobicContact CG2-CE1 3.64Å; T70-Y72 HydrophobicContact CG2-CE2 3.76Å
73	M	98.3	Very high	96.2	Very high	0 Å²	0	49 Å²	49	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	121	166.7	176.6	176.8	69.2	0	0	108.5	L12 W28 I40 A60 T61 L62 L75 Y86	L12-M73 HydrophobicContact CD1-CE 3.75Å; L12-M73 PolarHBondContact N-O 2.85Å; L12-M73 PolarHBondContact O-N 2.81Å; W28-M73 HydrophobicContact CB-SD 3.88Å; W28-M73 HydrophobicContact CD2-CB 3.64Å; W28-M73 HydrophobicContact CD2-CE 4.23Å; W28-M73 HydrophobicContact CD2-CG 4.47Å; W28-M73 HydrophobicContact CD2-SD 4.1Å; W28-M73 HydrophobicContact CE3-CB 3.96Å; W28-M73 HydrophobicContact CE3-CE 3.74Å; W28-M73 HydrophobicContact CE3-SD 4.21Å; W28-M73 HydrophobicContact CG-CB 4.12Å; W28-M73 HydrophobicContact CG-SD 3.97Å; W28-M73 HydrophobicContact CH2-CB 4.15Å; W28-M73 HydrophobicContact CZ2-CB 3.87Å; W28-M73 HydrophobicContact CZ3-CB 4.19Å; W28-M73 HydrophobicContact CZ3-CE 4.28Å; I40-M73 HydrophobicContact CD1-CE 4.02Å; I40-M73 HydrophobicContact CD1-SD 3.8Å; I40-M73 HydrophobicContact CG2-SD 3.9Å; A60-M73 HydrophobicContact CB-CG 4.27Å; A60-M73 HydrophobicContact CB-SD 4.25Å; T61-M73 WeakPolarHBondContact O-CA 3.13Å; L62-M73 HydrophobicContact CD2-CB 3.68Å; L62-M73 HydrophobicContact CD2-CG 3.63Å; L62-M73 HydrophobicContact CD2-SD 4.16Å; M73-L75 HydrophobicContact CE-CD1 3.93Å; M73-L75 HydrophobicContact CE-CD2 4.21Å; M73-L75 HydrophobicContact CE-CG 4.02Å; M73-L75 HydrophobicContact CG-CD2 4.38Å; M73-L75 HydrophobicContact CG-CG 4.35Å; M73-L75 HydrophobicContact SD-CD2 4.1Å; M73-L75 HydrophobicContact SD-CG 4.4Å; M73-Y86 HydrophobicContact CE-CD1 3.63Å; M73-Y86 HydrophobicContact CE-CE1 4.15Å; M73-Y86 HydrophobicContact CE-CG 4.31Å
74	Q	98.3	Very high	96.2	Very high	87 Å²	87	46.5 Å²	46.5	41%	0.407	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	123.9	169.3	-176	173.4	-3.6	0	0	109.1	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.51Å; V10-Q74 VanDerWaalsContact O-CA 3.25Å; V10-Q74 WeakPolarHBondContact O-CA 3.42Å; A60-Q74 CarbonylContact C-O 3.56Å; A60-Q74 WeakPolarHBondContact CA-O 3.35Å; T61-Q74 PolarHBondContact N-O 2.88Å; T61-Q74 PolarHBondContact O-N 2.82Å
75	L	97.7	Very high	96.3	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	130	171.2	-64.8	167.3	0	0	0	108.7	S9 V10 K59 A60 M73 L78 Y86 L101	S9-L75 CarbonylContact C-O 3.44Å; S9-L75 WeakPolarHBondContact CA-O 3.46Å; S9-L75 WeakPolarHBondContact CB-O 3.47Å; V10-L75 HydrophobicContact CG1-CB 3.88Å; V10-L75 HydrophobicContact CG1-CD1 4.19Å; V10-L75 HydrophobicContact CG1-CG 4.48Å; V10-L75 PolarHBondContact N-O 2.92Å; V10-L75 PolarHBondContact O-N 2.92Å; K59-L75 WeakPolarHBondContact O-CA 3.25Å; A60-L75 HydrophobicContact CB-CD2 3.97Å; M73-L75 HydrophobicContact CE-CD1 3.93Å; M73-L75 HydrophobicContact CE-CD2 4.21Å; M73-L75 HydrophobicContact CE-CG 4.02Å; M73-L75 HydrophobicContact CG-CD2 4.38Å; M73-L75 HydrophobicContact CG-CG 4.35Å; M73-L75 HydrophobicContact SD-CD2 4.1Å; M73-L75 HydrophobicContact SD-CG 4.4Å; L75-L78 HydrophobicContact CB-CD2 3.76Å; L75-L78 HydrophobicContact CD1-CD2 4.34Å; L75-Y86 HydrophobicContact CD1-CD1 4.21Å; L75-Y86 HydrophobicContact CD1-CE1 3.57Å; L75-Y86 HydrophobicContact CD1-CE2 4.2Å; L75-L101 HydrophobicContact CD1-CD2 4.18Å
76	S	96.9	Very high	96.4	Very high	35 Å²	35	43.9 Å²	43.9	25%	0.245	26%	0.257	C	S	.	.			trans	-107.8	159	179.9	59.3	0	0	0	0	112.4	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.46Å; K59-S76 WeakPolarHBondContact CE-O 2.96Å; K59-S76 WeakPolarHBondContact CG-O 3.1Å; K59-S76 PolarHBondContact O-N 2.85Å; K59-S76 PolarHBondContact O-OG 2.85Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 3.08Å
77	S	96.1	Very high	96.6	Very high	81 Å²	81	40.8 Å²	40.8	57%	0.566	24%	0.242	S	C	*	.	S	Bend	trans	48.9	53.3	172.2	-57.6	0	0	0	0	112.9	A8	A8-S77 PolarHBondContact O-N 3.25Å
78	L	96.5	Very high	96.8	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	21%	0.21	C	C	.	.			trans	-63.1	141.1	-172.3	-69.7	173.5	0	0	0	112.5	V4 P6 G7 A8 V10 L75 S76 D82 L101 V103	V4-L78 HydrophobicContact CB-CD1 4.4Å; V4-L78 HydrophobicContact CG2-CD1 3.49Å; V4-L78 VanDerWaalsContact CG2-CD1 3.49Å; P6-L78 CarbonylContact C-O 3.58Å; P6-L78 WeakPolarHBondContact CA-O 3.08Å; G7-L78 PolarHBondContact N-O 3.49Å; A8-L78 WeakPolarHBondContact O-CB 3.31Å; A8-L78 VanDerWaalsContact O-CG 3.31Å; A8-L78 WeakPolarHBondContact O-CG 3.28Å; A8-L78 PolarHBondContact O-N 2.84Å; V10-L78 HydrophobicContact CB-CD1 4.16Å; V10-L78 HydrophobicContact CG1-CD1 3.78Å; V10-L78 HydrophobicContact CG1-CD2 4.44Å; L75-L78 HydrophobicContact CB-CD2 3.76Å; L75-L78 HydrophobicContact CD1-CD2 4.34Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 3.08Å; L78-D82 VanDerWaalsContact CA-OD2 3.31Å; L78-D82 WeakPolarHBondContact CA-OD2 3.21Å; L78-D82 HydrophobicContact CD2-CB 3.77Å; L78-L101 HydrophobicContact CD1-CD2 4.14Å; L78-L101 HydrophobicContact CD2-CD2 4.03Å; L78-V103 HydrophobicContact CB-CG1 4.17Å; L78-V103 HydrophobicContact CB-CG2 4.03Å; L78-V103 HydrophobicContact CD1-CG2 4.33Å
79	T	95.9	Very high	96.8	Very high	56 Å²	56	34.5 Å²	34.5	34%	0.344	20%	0.198	S	C	.	.			trans	-122.1	167.6	174.4	65.8	0	0	0	0	109.8	E81 D82 V103	T79-E81 PolarHBondContact O-N 3.41Å; T79-E81 VanDerWaalsContact O-N 3.11Å; T79-D82 PolarHBondContact N-OD2 2.94Å; T79-D82 WeakPolarHBondContact O-CB 3.45Å; T79-D82 PolarHBondContact O-N 3.46Å; T79-D82 PolarHBondContact OG1-OD2 2.98Å; T79-V103 WeakPolarHBondContact O-CB 3.48Å; T79-V103 WeakPolarHBondContact O-CG2 3.39Å
80	S	94.7	Very high	96.7	Very high	86 Å²	86	32.4 Å²	32.4	60%	0.601	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-53.8	-31.8	176.4	51.3	0	0	0	0	112.8	D82 S83	S80-D82 PolarHBondContact O-N 3.06Å; S80-S83 VanDerWaalsContact O-CB 3.28Å; S80-S83 WeakPolarHBondContact O-CB 3.38Å; S80-S83 PolarHBondContact O-N 3.06Å; S80-S83 PolarHBondContact O-OG 3.48Å
81	E	93.4	Very high	96.1	Very high	132 Å²	132	35.1 Å²	35.1	62%	0.617	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-66.8	-14.2	177.5	-60.3	-175.7	174.9	0	0	114.6	K30 R32 T79 S83	K30-E81 PolarHBondContact NZ-O 2.84Å; R32-E81 PolarHBondContact NE-O 2.95Å; T79-E81 PolarHBondContact O-N 3.41Å; T79-E81 VanDerWaalsContact O-N 3.11Å; E81-S83 VanDerWaalsContact C-N 3.31Å
82	D	95.8	Very high	95.6	Very high	5 Å²	5	39.6 Å²	39.6	3%	0.027	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-83.3	-7.6	172.9	-58.3	-47.6	0	0	0	113.2	K30 K59 L78 T79 S80 A84 Y86 V103	K30-D82 IonicContact NZ-OD1 3.98Å; K59-D82 WeakPolarHBondContact CE-OD1 3.42Å; K59-D82 WeakPolarHBondContact CE-OD2 3.21Å; K59-D82 IonicContact NZ-OD1 2.8Å; K59-D82 PolarHBondContact NZ-OD1 2.94Å; K59-D82 IonicContact NZ-OD2 2.57Å; K59-D82 PolarHBondContact NZ-OD2 3.45Å; L78-D82 VanDerWaalsContact CA-OD2 3.31Å; L78-D82 WeakPolarHBondContact CA-OD2 3.21Å; L78-D82 HydrophobicContact CD2-CB 3.77Å; T79-D82 PolarHBondContact N-OD2 2.94Å; T79-D82 WeakPolarHBondContact O-CB 3.45Å; T79-D82 PolarHBondContact O-N 3.46Å; T79-D82 PolarHBondContact OG1-OD2 2.98Å; S80-D82 PolarHBondContact O-N 3.06Å; D82-A84 PolarHBondContact O-N 2.87Å; D82-Y86 VanDerWaalsContact O-CE2 3.3Å; D82-Y86 WeakPolarHBondContact O-CE2 3.32Å; D82-Y86 PolarHBondContact O-OH 3.42Å; D82-V103 HydrophobicContact CB-CG2 4.16Å
83	S	97.2	Very high	95.1	Very high	34 Å²	34	43 Å²	43	24%	0.238	24%	0.239	C	C	.	.			trans	-62.8	113.4	173.3	-57.4	0	0	0	0	110	S80 E81 L101 V103	S80-S83 VanDerWaalsContact O-CB 3.28Å; S80-S83 WeakPolarHBondContact O-CB 3.38Å; S80-S83 PolarHBondContact O-N 3.06Å; S80-S83 PolarHBondContact O-OG 3.48Å; E81-S83 VanDerWaalsContact C-N 3.31Å; S83-L101 VanDerWaalsContact CA-O 3.29Å; S83-L101 WeakPolarHBondContact CA-O 3.37Å; S83-V103 PolarHBondContact OG-N 2.82Å
84	A	97.6	Very high	94.7	Very high	5 Å²	5	50.1 Å²	50.1	4%	0.041	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.8	172.2	-170.3	0	0	0	0	0	110.6	K30 Q31 R32 D82 Y86 L101	K30-A84 HydrophobicContact CD-CB 4.22Å; K30-A84 HydrophobicContact CG-CB 3.58Å; Q31-A84 WeakPolarHBondContact O-CA 3.38Å; Q31-A84 VanDerWaalsContact O-CB 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.24Å; R32-A84 HydrophobicContact CG-CB 4.35Å; D82-A84 PolarHBondContact O-N 2.87Å; A84-Y86 HydrophobicContact CB-CD2 4.34Å; A84-Y86 HydrophobicContact CB-CE2 3.83Å; A84-L101 PolarHBondContact N-O 2.93Å; A84-L101 PolarHBondContact O-N 2.83Å
85	V	98.2	Very high	94.5	Very high	34 Å²	34	51 Å²	51	21%	0.206	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	130.7	161	-169.6	0	0	0	0	108.5	Q31 Y87	Q31-V85 PolarHBondContact N-O 3.07Å; Q31-V85 PolarHBondContact O-N 2.91Å; V85-Y87 HydrophobicContact CB-CE2 3.81Å; V85-Y87 HydrophobicContact CG1-CD1 4.4Å; 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 3.49Å
86	Y	98.3	Very high	94.3	Very high	3 Å²	3	52.3 Å²	52.3	1%	0.012	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	125.4	178	-70.4	-91.6	0	0	0	109.9	L12 V29 K30 I40 M73 L75 D82 A84 G98 T99 L101	L12-Y86 HydrophobicContact CD1-CD1 4.37Å; L12-Y86 HydrophobicContact CD1-CD2 4.17Å; L12-Y86 HydrophobicContact CD1-CG 3.78Å; V29-Y86 CarbonylContact O-C 3.57Å; V29-Y86 WeakPolarHBondContact O-CA 3.35Å; K30-Y86 HydrophobicContact CB-CD1 4.14Å; K30-Y86 HydrophobicContact CB-CE1 3.94Å; K30-Y86 HydrophobicContact CD-CE1 4.01Å; K30-Y86 HydrophobicContact CG-CD1 4.33Å; K30-Y86 HydrophobicContact CG-CE1 3.83Å; I40-Y86 HydrophobicContact CD1-CD1 3.77Å; I40-Y86 HydrophobicContact CD1-CE1 3.83Å; M73-Y86 HydrophobicContact CE-CD1 3.63Å; M73-Y86 HydrophobicContact CE-CE1 4.15Å; M73-Y86 HydrophobicContact CE-CG 4.31Å; L75-Y86 HydrophobicContact CD1-CD1 4.21Å; L75-Y86 HydrophobicContact CD1-CE1 3.57Å; L75-Y86 HydrophobicContact CD1-CE2 4.2Å; D82-Y86 VanDerWaalsContact O-CE2 3.3Å; D82-Y86 WeakPolarHBondContact O-CE2 3.32Å; D82-Y86 PolarHBondContact O-OH 3.42Å; A84-Y86 HydrophobicContact CB-CD2 4.34Å; A84-Y86 HydrophobicContact CB-CE2 3.83Å; Y86-G98 CarbonylContact O-C 3.52Å; Y86-G98 VanDerWaalsContact O-CA 3.24Å; Y86-G98 WeakPolarHBondContact O-CA 3.36Å; Y86-T99 PolarHBondContact N-O 2.6Å; Y86-T99 PolarHBondContact O-N 2.94Å; Y86-L101 HydrophobicContact CD2-CB 3.9Å; Y86-L101 HydrophobicContact CD2-CD2 4.37Å; Y86-L101 HydrophobicContact CE2-CB 3.79Å; Y86-L101 HydrophobicContact CE2-CD2 3.71Å; Y86-L101 HydrophobicContact CE2-CG 4.39Å
87	Y	98.1	Very high	94.2	Very high	45 Å²	45	59.7 Å²	59.7	18%	0.176	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	148	-179.8	-55.2	-87.7	0	0	0	110.3	W28 V29 Q31 V85 W95	W28-Y87 WeakPolarHBondContact CA-O 3.4Å; V29-Y87 PolarHBondContact N-O 2.81Å; V29-Y87 PolarHBondContact O-N 2.9Å; Q31-Y87 HydrophobicContact CB-CD2 4.41Å; Q31-Y87 HydrophobicContact CB-CE2 3.72Å; Q31-Y87 PolarHBondContact OE1-OH 3.39Å; V85-Y87 HydrophobicContact CB-CE2 3.81Å; V85-Y87 HydrophobicContact CG1-CD1 4.4Å; 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 3.49Å; Y87-W95 HydrophobicContact CG-CE3 4.32Å; Y87-W95 HydrophobicContact CG-CZ3 4.49Å
88	C	97	Very high	94.2	Very high	14 Å²	14	57.1 Å²	57.1	10%	0.095	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	150.3	158.7	61.6	0	0	0	0	109.6	C14 M26 H27 W28 G96	C14-C88 HydrophobicContact CB-CB 3.41Å; C14-C88 VanDerWaalsContact CB-CB 3.41Å; C14-C88 WeakPolarHBondContact CB-SG 3.42Å; C14-C88 WeakPolarHBondContact SG-CB 3.3Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.48Å; M26-C88 HydrophobicContact CG-CB 4.45Å; M26-C88 HydrophobicContact SD-CB 3.78Å; H27-C88 CarbonylContact O-C 3.59Å; H27-C88 WeakPolarHBondContact O-CA 3.35Å; W28-C88 HydrophobicContact CD2-CB 4.44Å; W28-C88 HydrophobicContact CE3-CB 4.24Å; W28-C88 HydrophobicContact CH2-CB 4.36Å; W28-C88 HydrophobicContact CZ3-CB 4.2Å; C88-G96 PolarHBondContact O-N 2.97Å
89	A	95.9	Very high	94.2	Very high	2 Å²	2	59.5 Å²	59.5	2%	0.017	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	145.6	175.2	0	0	0	0	0	112	H27 F92 Y94 W95	H27-A89 HydrophobicContact CB-CB 4.49Å; H27-A89 PolarHBondContact N-O 3.44Å; H27-A89 PolarHBondContact O-N 2.81Å; A89-F92 HydrophobicContact CB-CD1 3.96Å; A89-F92 HydrophobicContact CB-CE1 4.49Å; A89-Y94 CarbonylContact C-O 3.56Å; A89-Y94 WeakPolarHBondContact CA-O 3.3Å; A89-Y94 WeakPolarHBondContact CB-O 3.29Å; A89-W95 HydrophobicContact CB-CD2 3.77Å; A89-W95 HydrophobicContact CB-CE3 3.92Å; A89-W95 HydrophobicContact CB-CG 4.22Å; A89-W95 HydrophobicContact CB-CH2 4.4Å; A89-W95 HydrophobicContact CB-CZ2 4.28Å; A89-W95 HydrophobicContact CB-CZ3 4.24Å
90	S	92.6	Very high	94.3	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.007	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	119.5	173.1	-169	0	0	0	0	109.3	Y19 Y24 F92 D93 Y94	Y19-S90 WeakPolarHBondContact OH-CB 3.26Å; Y19-S90 PolarHBondContact OH-OG 3.05Å; Y24-S90 VanDerWaalsContact CB-OG 3.26Å; Y24-S90 WeakPolarHBondContact CB-OG 3.23Å; S90-F92 PolarHBondContact O-N 3.09Å; S90-D93 PolarHBondContact O-N 3.17Å; S90-D93 VanDerWaalsContact O-N 3.08Å; S90-Y94 PolarHBondContact N-O 3.28Å; S90-Y94 PolarHBondContact O-N 3.41Å
91	N	83.7	Confident	94.4	Very high	66 Å²	66	55.3 Å²	55.3	35%	0.353	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	11	-171.2	-77.3	-0.5	0	0	0	115.9	Y24 D93	Y24-N91 WeakPolarHBondContact CD1-ND2 2.95Å; Y24-N91 WeakPolarHBondContact CE1-ND2 3.33Å; N91-D93 WeakPolarHBondContact CB-OD2 3.35Å; N91-D93 PolarHBondContact O-N 2.96Å
92	F	88	Confident	94.6	Very high	94 Å²	94	51.4 Å²	51.4	41%	0.412	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	3.9	-166.7	-53.4	-68.8	0	0	0	115.9	H27 V29 W39 A89 S90 W95	H27-F92 HydrophobicContact CB-CE1 3.88Å; H27-F92 HydrophobicContact CB-CZ 4.02Å; H27-F92 AromaticContact CE1-CE2 3.66Å; H27-F92 AromaticContact CE1-CZ 3.85Å; H27-F92 AromaticContact CG-CE1 4Å; H27-F92 AromaticContact CG-CZ 3.68Å; H27-F92 AromaticContact ND1-CE2 3.58Å; H27-F92 AromaticContact ND1-CZ 3.26Å; H27-F92 VanDerWaalsContact ND1-CZ 3.26Å; H27-F92 WeakPolarHBondContact ND1-CZ 3.32Å; V29-F92 HydrophobicContact CG2-CE1 4.17Å; W39-F92 AromaticContact CD1-CZ 4Å; A89-F92 HydrophobicContact CB-CD1 3.96Å; A89-F92 HydrophobicContact CB-CE1 4.49Å; S90-F92 PolarHBondContact O-N 3.09Å; F92-W95 HydrophobicContact CB-CZ2 4.31Å; F92-W95 AromaticContact CD1-CH2 3.93Å; F92-W95 HydrophobicContact CD1-CH2 3.93Å; F92-W95 AromaticContact CD1-CZ2 3.54Å; F92-W95 HydrophobicContact CD1-CZ2 3.54Å; F92-W95 HydrophobicContact CE1-CH2 4.3Å; F92-W95 HydrophobicContact CE1-CZ2 4.33Å; F92-W95 HydrophobicContact CG-CZ2 4.38Å; F92-W95 PolarHBondContact O-NE1 3.16Å
93	D	87.3	Confident	94.6	Very high	120 Å²	120	51.5 Å²	51.5	64%	0.642	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-33.9	171.6	-61.2	-43	0	0	0	111.2	S90 N91	S90-D93 PolarHBondContact O-N 3.17Å; S90-D93 VanDerWaalsContact O-N 3.08Å; N91-D93 WeakPolarHBondContact CB-OD2 3.35Å; N91-D93 PolarHBondContact O-N 2.96Å
94	Y	89.4	Confident	94.3	Very high	150 Å²	150	52.4 Å²	52.4	59%	0.588	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.5	127	-179.1	-56.9	-80.8	0	0	0	110.5	A89 S90	A89-Y94 CarbonylContact C-O 3.56Å; A89-Y94 WeakPolarHBondContact CA-O 3.3Å; A89-Y94 WeakPolarHBondContact CB-O 3.29Å; S90-Y94 PolarHBondContact N-O 3.28Å; S90-Y94 PolarHBondContact O-N 3.41Å
95	W	94.3	Very high	93.5	Very high	106 Å²	106	59.5 Å²	59.5	40%	0.402	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	137.1	179.8	-69	75.4	0	0	0	110.8	V29 L37 Y87 A89 F92	V29-W95 HydrophobicContact CB-CH2 4.44Å; V29-W95 HydrophobicContact CB-CZ3 4.05Å; V29-W95 HydrophobicContact CG1-CH2 4.4Å; V29-W95 HydrophobicContact CG1-CZ3 4.24Å; V29-W95 HydrophobicContact CG2-CH2 3.96Å; V29-W95 HydrophobicContact CG2-CZ3 3.92Å; L37-W95 HydrophobicContact CD1-CH2 3.85Å; L37-W95 HydrophobicContact CD1-CZ3 4.34Å; Y87-W95 HydrophobicContact CG-CE3 4.32Å; Y87-W95 HydrophobicContact CG-CZ3 4.49Å; A89-W95 HydrophobicContact CB-CD2 3.77Å; A89-W95 HydrophobicContact CB-CE3 3.92Å; A89-W95 HydrophobicContact CB-CG 4.22Å; A89-W95 HydrophobicContact CB-CH2 4.4Å; A89-W95 HydrophobicContact CB-CZ2 4.28Å; A89-W95 HydrophobicContact CB-CZ3 4.24Å; F92-W95 HydrophobicContact CB-CZ2 4.31Å; F92-W95 AromaticContact CD1-CH2 3.93Å; F92-W95 HydrophobicContact CD1-CH2 3.93Å; F92-W95 AromaticContact CD1-CZ2 3.54Å; F92-W95 HydrophobicContact CD1-CZ2 3.54Å; F92-W95 HydrophobicContact CE1-CH2 4.3Å; F92-W95 HydrophobicContact CE1-CZ2 4.33Å; F92-W95 HydrophobicContact CG-CZ2 4.38Å; F92-W95 PolarHBondContact O-NE1 3.16Å
96	G	94.2	Very high	93.3	Very high	28 Å²	28	60.8 Å²	60.8	29%	0.289	33%	0.33	S	S	.	.			trans	-67.3	159.3	166	0	0	0	0	0	111	C88 G98	C88-G96 PolarHBondContact O-N 2.97Å; G96-G98 PolarHBondContact O-N 2.62Å
97	Q	94.5	Very high	93	Very high	190 Å²	190	63.8 Å²	63.8	89%	0.888	35%	0.347	S	S	*	.			trans	-61.3	-18.3	178.6	-64.7	-63.1	-45.6	0	0	113.5
98	G	95.8	Very high	92.7	Very high	27 Å²	27	64.8 Å²	64.8	28%	0.278	36%	0.356	S	S	.	.			trans	86.7	150.4	-177	0	0	0	0	0	112.6	Y86 G96	Y86-G98 CarbonylContact O-C 3.52Å; Y86-G98 VanDerWaalsContact O-CA 3.24Å; Y86-G98 WeakPolarHBondContact O-CA 3.36Å; G96-G98 PolarHBondContact O-N 2.62Å
99	T	96.9	Very high	92.5	Very high	51 Å²	51	67.8 Å²	67.8	31%	0.313	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	116.3	175.4	-59.2	0	0	0	0	108.8	L12 Y86 L101	L12-T99 HydrophobicContact CD2-CG2 3.96Å; Y86-T99 PolarHBondContact N-O 2.6Å; Y86-T99 PolarHBondContact O-N 2.94Å; T99-L101 PolarHBondContact O-N 3.19Å
100	T	97.4	Very high	92.3	Very high	54 Å²	54	71.9 Å²	71.9	33%	0.331	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	119.9	171	-48.2	0	0	0	0	109.7	T1 E2	T1-T100 CarbonylContact C-O 3.45Å; T1-T100 WeakPolarHBondContact CA-O 3.45Å; T1-T100 HydrophobicContact CG2-CG2 3.99Å; E2-T100 PolarHBondContact N-O 3.32Å
101	L	96.8	Very high	92.3	Very high	1 Å²	1	76.7 Å²	76.7	1%	0.005	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	132.1	170.2	-177.5	67.4	0	0	0	108.5	E2 V4 V10 L75 L78 S83 A84 Y86 T99 V103	E2-L101 HydrophobicContact CB-CD1 3.99Å; E2-L101 HydrophobicContact CG-CD1 4.26Å; V4-L101 HydrophobicContact CG1-CD1 4.22Å; V4-L101 HydrophobicContact CG2-CD1 3.84Å; V4-L101 HydrophobicContact CG2-CG 4.49Å; V10-L101 HydrophobicContact CB-CD1 4.46Å; V10-L101 HydrophobicContact CG1-CD1 4.19Å; V10-L101 HydrophobicContact CG1-CD2 3.91Å; V10-L101 HydrophobicContact CG2-CD1 4.34Å; L75-L101 HydrophobicContact CD1-CD2 4.18Å; L78-L101 HydrophobicContact CD1-CD2 4.14Å; L78-L101 HydrophobicContact CD2-CD2 4.03Å; S83-L101 VanDerWaalsContact CA-O 3.29Å; S83-L101 WeakPolarHBondContact CA-O 3.37Å; A84-L101 PolarHBondContact N-O 2.93Å; A84-L101 PolarHBondContact O-N 2.83Å; Y86-L101 HydrophobicContact CD2-CB 3.9Å; Y86-L101 HydrophobicContact CD2-CD2 4.37Å; Y86-L101 HydrophobicContact CE2-CB 3.79Å; Y86-L101 HydrophobicContact CE2-CD2 3.71Å; Y86-L101 HydrophobicContact CE2-CG 4.39Å; T99-L101 PolarHBondContact O-N 3.19Å; L101-V103 HydrophobicContact CG-CG2 4.39Å
102	T	96.9	Very high	92.9	Very high	50 Å²	50	77.4 Å²	77.4	31%	0.307	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	122.5	175.9	-56.8	0	0	0	0	108.9	E2 L3 V4	E2-T102 PolarHBondContact O-N 3.49Å; L3-T102 WeakPolarHBondContact CA-O 3.47Å; L3-T102 HydrophobicContact CD1-CG2 3.83Å; V4-T102 PolarHBondContact N-O 2.63Å
103	V	95.9	Very high	93.2	Very high	7 Å²	7	76.2 Å²	76.2	4%	0.042	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	107.2	178.5	-170.1	0	0	0	0	108.4	V4 P6 L78 T79 D82 S83 L101	V4-V103 HydrophobicContact CG2-CB 4.32Å; V4-V103 HydrophobicContact CG2-CG1 4.37Å; V4-V103 HydrophobicContact CG2-CG2 3.78Å; V4-V103 WeakPolarHBondContact O-CA 3.17Å; P6-V103 HydrophobicContact CB-CG1 4.46Å; P6-V103 HydrophobicContact CG-CG1 4.19Å; L78-V103 HydrophobicContact CB-CG1 4.17Å; L78-V103 HydrophobicContact CB-CG2 4.03Å; L78-V103 HydrophobicContact CD1-CG2 4.33Å; T79-V103 WeakPolarHBondContact O-CB 3.48Å; T79-V103 WeakPolarHBondContact O-CG2 3.39Å; D82-V103 HydrophobicContact CB-CG2 4.16Å; S83-V103 PolarHBondContact OG-N 2.82Å; L101-V103 HydrophobicContact CG-CG2 4.39Å
104	S	92.4	Very high	93.7	Very high	52 Å²	52	72.5 Å²	72.5	36%	0.364	41%	0.407	S	S	.	.			trans	-141	148.9	-179.6	66	0	0	0	0	111.4	L3 V4	L3-S104 WeakPolarHBondContact CD1-OG 3.44Å; V4-S104 PolarHBondContact O-N 2.67Å
105	S	80.5	Confident	94.1	Very high	154 Å²	154	65.5 Å²	65.5	100%	1.077	39%	0.391	S	S	*	.			trans	-71.9	0	174.3	56	0	0	0	0	112.4

Retrieved 105 of 105 residues in 21.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).