X5J4T8_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4T8, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 112 aa.

						>X5J4T8_MOUSE|X5J4T8
PQLVRPGASVKISCKASGYSFTSYWMHWVKQRPGQGLEWIGMIDPSDSETRLNQKFKDKATLTVDKSSSTAYMQLSSPTSEDSAVYYCARSGDGYFSWFAYWGQGTLVTVSA
					

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	P	76.9	Confident	86.1	Confident	141 Å²	141	82.3 Å²	82.3	92%	0.916	46%	0.461	S	S	*	.				0	133	0	18.7	0.7	0	0	0	111.9	L107	P1-L107 CarbonylContact C-O 3.6Å; P1-L107 WeakPolarHBondContact CA-O 3.3Å; P1-L107 HydrophobicContact CB-CB 4.26Å; P1-L107 HydrophobicContact CB-CD2 4.41Å
2	Q	87.8	Confident	87	Confident	71 Å²	71	75.5 Å²	75.5	33%	0.332	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	127.1	178.8	-63.9	-175.2	-0.2	0	0	109.7	T106 L107 V108 T109	Q2-T106 HydrophobicContact CG-CG2 4.22Å; Q2-L107 PolarHBondContact N-O 3.25Å; Q2-V108 HydrophobicContact CB-CG2 4.43Å; Q2-V108 WeakPolarHBondContact O-CA 3.36Å; Q2-T109 PolarHBondContact O-N 3.46Å
3	L	88.9	Confident	87.8	Confident	140 Å²	140	75.1 Å²	75.1	73%	0.733	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	125.4	172.7	-177.7	66.6	0	0	0	108.7	T109	L3-T109 WeakPolarHBondContact CA-O 3.37Å; L3-T109 HydrophobicContact CD1-CG2 4.12Å
4	V	88	Confident	88.4	Confident	12 Å²	12	70.8 Å²	70.8	7%	0.073	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	137.7	-172	-170.4	0	0	0	0	109	A8 V10 P78 V108 T109 V110 S111	V4-A8 HydrophobicContact CG1-CB 4.21Å; V4-A8 WeakPolarHBondContact CG1-O 3.49Å; V4-V10 HydrophobicContact CG1-CB 4.17Å; V4-V10 HydrophobicContact CG2-CB 3.77Å; V4-V10 HydrophobicContact CG2-CG1 4.38Å; V4-V10 HydrophobicContact CG2-CG2 3.68Å; V4-P78 HydrophobicContact CG1-CG 4.06Å; V4-V108 HydrophobicContact CG2-CG1 3.85Å; V4-T109 PolarHBondContact N-O 3.43Å; V4-V110 HydrophobicContact CB-CG2 4.47Å; V4-V110 WeakPolarHBondContact O-CA 3.47Å; V4-S111 PolarHBondContact O-N 2.98Å
5	R	83.4	Confident	89	Confident	200 Å²	200	76.7 Å²	76.7	76%	0.755	42%	0.424	S	S	*	.			trans	-77.7	143.1	171	-66.5	-177.9	-178.3	175.3	0.3	109.6	G7 A8	R5-G7 PolarHBondContact O-N 3.25Å; R5-A8 HydrophobicContact CB-CB 4.37Å; R5-A8 WeakPolarHBondContact O-CB 3.26Å; R5-A8 PolarHBondContact O-N 3.25Å
6	P	79.3	Confident	89.3	Confident	67 Å²	67	72.6 Å²	72.6	44%	0.435	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	136.3	176.1	8	-14.6	0	0	0	110.8	A8 V110 S111	P6-A8 VanDerWaalsContact C-N 3.26Å; P6-A8 PolarHBondContact O-N 3.04Å; P6-V110 HydrophobicContact CB-CG1 4.31Å; P6-S111 WeakPolarHBondContact CD-O 3.14Å; P6-S111 VanDerWaalsContact CD-OG 3.28Å; P6-S111 WeakPolarHBondContact CD-OG 3.41Å; P6-S111 VanDerWaalsContact CG-O 3.25Å; P6-S111 WeakPolarHBondContact CG-O 3.48Å
7	G	75.4	Confident	89.4	Confident	46 Å²	46	74.7 Å²	74.7	47%	0.474	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	-14.2	-177.1	0	0	0	0	0	115.6	R5	R5-G7 PolarHBondContact O-N 3.25Å
8	A	86.1	Confident	89.5	Confident	44 Å²	44	75.3 Å²	75.3	36%	0.364	45%	0.45	S	S	.	.			trans	-82.2	131.9	173.6	0	0	0	0	0	110.8	V4 R5 P6 P78	V4-A8 HydrophobicContact CG1-CB 4.21Å; V4-A8 WeakPolarHBondContact CG1-O 3.49Å; R5-A8 HydrophobicContact CB-CB 4.37Å; R5-A8 WeakPolarHBondContact O-CB 3.26Å; R5-A8 PolarHBondContact O-N 3.25Å; P6-A8 VanDerWaalsContact C-N 3.26Å; P6-A8 PolarHBondContact O-N 3.04Å; A8-P78 WeakPolarHBondContact O-CD 3.35Å; A8-P78 WeakPolarHBondContact O-CG 3.3Å
9	S	91.1	Very high	89.5	Confident	67 Å²	67	74.5 Å²	74.5	47%	0.469	44%	0.438	S	S	.	.			trans	-66.6	145.2	176.6	-67.8	0	0	0	0	111.4	L75	S9-L75 VanDerWaalsContact CA-O 3.27Å; S9-L75 WeakPolarHBondContact CA-O 3.22Å
10	V	94.5	Very high	89.7	Confident	7 Å²	7	74 Å²	74	4%	0.042	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	135.5	175.8	61.5	0	0	0	0	110.3	V4 Q74 L75 P78 V108	V4-V10 HydrophobicContact CG1-CB 4.17Å; V4-V10 HydrophobicContact CG2-CB 3.77Å; V4-V10 HydrophobicContact CG2-CG1 4.38Å; V4-V10 HydrophobicContact CG2-CG2 3.68Å; V10-Q74 CarbonylContact O-C 3.55Å; V10-Q74 VanDerWaalsContact O-CA 3.3Å; V10-Q74 WeakPolarHBondContact O-CA 3.43Å; V10-L75 HydrophobicContact CG1-CB 3.72Å; V10-L75 HydrophobicContact CG1-CD1 4.04Å; V10-L75 HydrophobicContact CG1-CG 4.36Å; V10-L75 PolarHBondContact N-O 2.96Å; V10-L75 PolarHBondContact O-N 2.94Å; V10-P78 HydrophobicContact CG1-CG 4.23Å; V10-V108 HydrophobicContact CG1-CG1 4.38Å
11	K	96	Very high	89.9	Confident	110 Å²	110	70.9 Å²	70.9	48%	0.478	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	118.8	178.9	-170.1	175.5	-178.6	179.5	0	109.8	Y72	K11-Y72 HydrophobicContact CD-CD1 4.26Å; K11-Y72 VanDerWaalsContact CE-CB 3.5Å; K11-Y72 HydrophobicContact CG-CD1 4.22Å
12	I	96.9	Very high	90.7	Very high	1 Å²	1	67 Å²	67	1%	0.005	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	135.9	177.6	-58	157.6	0	0	0	108	W28 Y72 M73 L75 Y86 T106 V108	I12-W28 HydrophobicContact CB-CH2 4.37Å; I12-W28 HydrophobicContact CB-CZ3 4.09Å; I12-W28 HydrophobicContact CG2-CH2 4.06Å; I12-W28 HydrophobicContact CG2-CZ3 3.65Å; I12-Y72 CarbonylContact O-C 3.59Å; I12-Y72 WeakPolarHBondContact O-CA 3.36Å; I12-M73 HydrophobicContact CD1-CE 3.33Å; I12-M73 HydrophobicContact CG1-CE 4.46Å; I12-M73 PolarHBondContact N-O 3.11Å; I12-M73 PolarHBondContact O-N 2.83Å; I12-L75 HydrophobicContact CD1-CD1 4.39Å; I12-Y86 HydrophobicContact CD1-CD1 4.17Å; I12-Y86 HydrophobicContact CD1-CD2 3.93Å; I12-Y86 HydrophobicContact CD1-CG 3.65Å; I12-T106 HydrophobicContact CG2-CG2 4.4Å; I12-V108 HydrophobicContact CD1-CG2 3.87Å; I12-V108 HydrophobicContact CG1-CG2 4.17Å
13	S	97.1	Very high	90.9	Very high	70 Å²	70	67.1 Å²	67.1	49%	0.49	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	149.3	179.4	60.6	0	0	0	0	111.7	A71 Y72	S13-A71 CarbonylContact C-O 3.51Å; S13-A71 WeakPolarHBondContact CA-O 3.4Å; S13-Y72 VanDerWaalsContact CB-CE1 3.47Å
14	C	96.9	Very high	90.9	Very high	15 Å²	15	62.3 Å²	62.3	10%	0.101	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	105.3	172.7	-178.6	0	0	0	0	108.9	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.83Å; C14-W28 HydrophobicContact CB-CZ2 4.04Å; C14-T70 WeakPolarHBondContact O-CA 2.99Å; C14-A71 PolarHBondContact N-O 2.81Å; C14-A71 PolarHBondContact O-N 2.98Å; C14-C88 HydrophobicContact CB-CB 3.41Å; C14-C88 VanDerWaalsContact CB-CB 3.41Å; C14-C88 WeakPolarHBondContact CB-SG 3.25Å; C14-C88 WeakPolarHBondContact SG-CB 3.35Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.35Å
15	K	96.3	Very high	91.2	Very high	159 Å²	159	64.1 Å²	64.1	69%	0.691	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	125.4	-179.6	-174.9	172.6	-177.5	178.4	0	110.2	T70	K15-T70 HydrophobicContact CB-CG2 4.49Å
16	A	93.6	Very high	91.7	Very high	12 Å²	12	54.8 Å²	54.8	10%	0.099	35%	0.346	C	S	.	.			trans	-73.1	147.5	174.3	0	0	0	0	0	111.4	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 3.83Å; A16-Y19 HydrophobicContact CB-CE2 4.05Å; A16-Y19 VanDerWaalsContact CB-CZ 3.44Å; A16-Y19 VanDerWaalsContact CB-OH 3.26Å; A16-Y19 WeakPolarHBondContact CB-OH 3.21Å; A16-F21 HydrophobicContact CB-CB 3.92Å; A16-F21 HydrophobicContact CB-CD2 3.44Å; A16-F21 VanDerWaalsContact CB-CD2 3.44Å; A16-F21 HydrophobicContact CB-CE2 4.22Å; A16-F21 HydrophobicContact CB-CG 3.93Å; A16-S69 WeakPolarHBondContact CB-O 3.25Å; A16-S69 PolarHBondContact N-O 3.06Å
17	S	92.3	Very high	92.6	Very high	108 Å²	108	51.7 Å²	51.7	76%	0.755	33%	0.325	S	S	*	.			trans	-151.2	137.5	176.7	-175.1	0	0	0	0	109.8	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.46Å
18	G	90.9	Very high	93.6	Very high	86 Å²	86	49.6 Å²	49.6	89%	0.887	30%	0.303	S	S	*	.	S	Bend	trans	77.8	13.6	174.9	0	0	0	0	0	115.8
19	Y	89.8	Confident	94.2	Very high	59 Å²	59	47.7 Å²	47.7	23%	0.231	29%	0.287	C	S	.	.	S	Bend	trans	-155.9	166.4	174.5	65.8	-84.7	0	0	0	111.6	A16 S17 F21 Y24 M26 R90	A16-Y19 HydrophobicContact CB-CE1 3.83Å; A16-Y19 HydrophobicContact CB-CE2 4.05Å; A16-Y19 VanDerWaalsContact CB-CZ 3.44Å; A16-Y19 VanDerWaalsContact CB-OH 3.26Å; A16-Y19 WeakPolarHBondContact CB-OH 3.21Å; S17-Y19 WeakPolarHBondContact O-CD1 3.46Å; Y19-F21 PolarHBondContact O-N 2.96Å; Y19-Y24 AromaticContact CD2-CD2 3.57Å; Y19-Y24 HydrophobicContact CD2-CD2 3.57Å; Y19-Y24 AromaticContact CD2-CE2 3.78Å; Y19-Y24 HydrophobicContact CD2-CE2 3.78Å; Y19-Y24 AromaticContact CE2-CD2 3.92Å; Y19-Y24 HydrophobicContact CE2-CD2 3.92Å; Y19-Y24 HydrophobicContact CG-CE2 4.41Å; Y19-M26 WeakPolarHBondContact OH-CE 3.42Å; Y19-R90 VanDerWaalsContact CZ-CD 3.46Å
20	S	93.1	Very high	94.4	Very high	65 Å²	65	44.5 Å²	44.5	46%	0.455	26%	0.264	S	S	.	.			trans	-71.3	106.2	172.3	173.4	0	0	0	0	110.1	T22 S23	S20-T22 PolarHBondContact O-N 2.86Å; S20-T22 VanDerWaalsContact O-N 3.16Å; S20-S23 VanDerWaalsContact CB-OG 3.29Å; S20-S23 WeakPolarHBondContact CB-OG 3.28Å; S20-S23 WeakPolarHBondContact O-CB 3.43Å; S20-S23 PolarHBondContact O-N 3.25Å; S20-S23 PolarHBondContact OG-OG 2.65Å
21	F	93.3	Very high	94.6	Very high	8 Å²	8	47.4 Å²	47.4	4%	0.035	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-55.7	-35.4	-173.8	176.9	-127.9	0	0	0	113.5	A16 Y19 S23 M26 P45 V64 S69 A71	A16-F21 HydrophobicContact CB-CB 3.92Å; A16-F21 HydrophobicContact CB-CD2 3.44Å; A16-F21 VanDerWaalsContact CB-CD2 3.44Å; A16-F21 HydrophobicContact CB-CE2 4.22Å; A16-F21 HydrophobicContact CB-CG 3.93Å; Y19-F21 PolarHBondContact O-N 2.96Å; F21-S23 PolarHBondContact O-N 3.16Å; F21-M26 HydrophobicContact CE2-CE 4.02Å; F21-P45 HydrophobicContact CD1-CB 3.83Å; F21-P45 HydrophobicContact CD2-CB 4.32Å; F21-P45 HydrophobicContact CD2-CG 4.15Å; F21-P45 HydrophobicContact CE1-CB 3.54Å; F21-P45 HydrophobicContact CE1-CG 4.17Å; F21-P45 HydrophobicContact CE2-CB 4.06Å; F21-P45 HydrophobicContact CE2-CG 3.75Å; F21-P45 HydrophobicContact CG-CB 4.23Å; F21-P45 HydrophobicContact CZ-CB 3.67Å; F21-P45 HydrophobicContact CZ-CG 3.77Å; F21-P45 WeakPolarHBondContact O-CG 3.28Å; F21-V64 HydrophobicContact CE1-CB 4.37Å; F21-V64 HydrophobicContact CE1-CG1 4.37Å; F21-V64 HydrophobicContact CZ-CB 4.49Å; F21-V64 HydrophobicContact CZ-CG1 4.06Å; F21-S69 VanDerWaalsContact CD1-CA 3.49Å; F21-A71 HydrophobicContact CE2-CB 4.25Å; F21-A71 HydrophobicContact CZ-CB 3.94Å
22	T	94.1	Very high	94.5	Very high	60 Å²	60	44.9 Å²	44.9	37%	0.368	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-80	0.1	-178.7	57.2	0	0	0	0	114.1	S20 S46	S20-T22 PolarHBondContact O-N 2.86Å; S20-T22 VanDerWaalsContact O-N 3.16Å; T22-S46 WeakPolarHBondContact O-CB 3.43Å
23	S	91.3	Very high	94.3	Very high	73 Å²	73	50.5 Å²	50.5	51%	0.51	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-92	-8.3	-177.9	-60.8	0	0	0	0	113.7	S20 F21	S20-S23 VanDerWaalsContact CB-OG 3.29Å; S20-S23 WeakPolarHBondContact CB-OG 3.28Å; S20-S23 WeakPolarHBondContact O-CB 3.43Å; S20-S23 PolarHBondContact O-N 3.25Å; S20-S23 PolarHBondContact OG-OG 2.65Å; F21-S23 PolarHBondContact O-N 3.16Å
24	Y	90.4	Very high	94.1	Very high	40 Å²	40	51.7 Å²	51.7	16%	0.157	33%	0.325	C	S	.	.	S	Bend	trans	-139.5	143.1	-175.9	-52.1	-87.1	0	0	0	111.8	Y19 P45 S91 D93	Y19-Y24 AromaticContact CD2-CD2 3.57Å; Y19-Y24 HydrophobicContact CD2-CD2 3.57Å; Y19-Y24 AromaticContact CD2-CE2 3.78Å; Y19-Y24 HydrophobicContact CD2-CE2 3.78Å; Y19-Y24 AromaticContact CE2-CD2 3.92Å; Y19-Y24 HydrophobicContact CE2-CD2 3.92Å; Y19-Y24 HydrophobicContact CG-CE2 4.41Å; Y24-P45 WeakPolarHBondContact O-CD 3.44Å; Y24-P45 WeakPolarHBondContact O-CG 3.48Å; Y24-S91 VanDerWaalsContact CD1-O 3.26Å; Y24-S91 WeakPolarHBondContact CD1-O 3.42Å; Y24-D93 VanDerWaalsContact CE1-OD1 3.25Å; Y24-D93 WeakPolarHBondContact CE1-OD1 3.49Å; Y24-D93 VanDerWaalsContact CZ-OD1 3.25Å; Y24-D93 PolarHBondContact OH-OD1 2.78Å; Y24-D93 PolarHBondContact OH-OD2 3.46Å
25	W	93.1	Very high	94	Very high	50 Å²	50	55.7 Å²	55.7	19%	0.189	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-65.2	137.3	168.4	-72.3	61.3	0	0	0	110.3	M42 D44 E49 R51	W25-M42 HydrophobicContact CD2-CE 3.46Å; W25-M42 VanDerWaalsContact CD2-CE 3.46Å; W25-M42 HydrophobicContact CE3-CB 3.97Å; W25-M42 HydrophobicContact CE3-CE 3.07Å; W25-M42 HydrophobicContact CE3-CG 3.47Å; W25-M42 VanDerWaalsContact CE3-CG 3.47Å; W25-M42 HydrophobicContact CE3-SD 4Å; W25-M42 HydrophobicContact CG-CE 4.18Å; W25-M42 HydrophobicContact CH2-CE 3.83Å; W25-M42 HydrophobicContact CZ2-CE 4.22Å; W25-M42 HydrophobicContact CZ3-CE 3.27Å; W25-M42 HydrophobicContact CZ3-CG 3.68Å; W25-M42 HydrophobicContact CZ3-SD 4.28Å; W25-D44 HydrophobicContact CD2-CB 3.83Å; W25-D44 HydrophobicContact CE3-CB 4.05Å; W25-D44 HydrophobicContact CG-CB 4.39Å; W25-D44 HydrophobicContact CH2-CB 4.19Å; W25-D44 HydrophobicContact CZ2-CB 3.88Å; W25-D44 HydrophobicContact CZ3-CB 4.24Å; W25-D44 PolarHBondContact NE1-OD2 3.48Å; W25-E49 HydrophobicContact CH2-CB 4.17Å; W25-E49 HydrophobicContact CH2-CG 4.07Å; W25-R51 HydrophobicContact CH2-CG 4.49Å; W25-R51 HydrophobicContact CZ3-CG 4.26Å
26	M	95.4	Very high	93.9	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.02	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	117.3	174	-173.2	64.1	69.2	0	0	109.4	Y19 F21 M42 I43 A71 C88	Y19-M26 WeakPolarHBondContact OH-CE 3.42Å; F21-M26 HydrophobicContact CE2-CE 4.02Å; M26-M42 CarbonylContact O-C 3.48Å; M26-M42 WeakPolarHBondContact O-CA 3.4Å; M26-I43 HydrophobicContact CB-CG2 4.05Å; M26-I43 PolarHBondContact N-O 2.87Å; M26-I43 PolarHBondContact O-N 3.23Å; M26-A71 HydrophobicContact CB-CB 4.22Å; M26-A71 HydrophobicContact CG-CB 3.77Å; M26-C88 HydrophobicContact CG-CB 4.4Å; M26-C88 HydrophobicContact SD-CB 3.77Å
27	H	96.5	Very high	93.9	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.009	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	149	177.4	-58.8	-103.3	0	0	0	111.2	W39 G41 M42 C88 A89 S91 W98 F99	H27-W39 AromaticContact ND1-NE1 3.48Å; H27-W39 PolarHBondContact ND1-NE1 2.9Å; H27-G41 CarbonylContact C-O 3.54Å; H27-G41 WeakPolarHBondContact CA-O 3.35Å; H27-M42 PolarHBondContact CE1-SD 2.88Å; H27-C88 CarbonylContact O-C 3.57Å; H27-C88 WeakPolarHBondContact O-CA 3.35Å; H27-A89 WeakPolarHBondContact CA-O 3.44Å; H27-A89 WeakPolarHBondContact CB-O 3.46Å; H27-A89 PolarHBondContact N-O 2.82Å; H27-A89 PolarHBondContact O-N 2.88Å; H27-S91 PolarHBondContact NE2-OG 2.87Å; H27-W98 AromaticContact CE1-CE3 3.81Å; H27-F99 HydrophobicContact CB-CD1 3.83Å; H27-F99 HydrophobicContact CB-CE1 3.26Å; H27-F99 HydrophobicContact CB-CZ 3.98Å; H27-F99 AromaticContact CG-CE1 3.53Å; H27-F99 AromaticContact CG-CZ 3.81Å; H27-F99 AromaticContact ND1-CE1 3.7Å; H27-F99 AromaticContact ND1-CZ 3.45Å; H27-F99 WeakPolarHBondContact ND1-CZ 3.21Å
28	W	97.8	Very high	94.1	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.008	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	133.4	175.3	-69.3	91.1	0	0	0	110.4	I12 C14 I40 G41 L62 A71 M73 Y87 C88	I12-W28 HydrophobicContact CB-CH2 4.37Å; I12-W28 HydrophobicContact CB-CZ3 4.09Å; I12-W28 HydrophobicContact CG2-CH2 4.06Å; I12-W28 HydrophobicContact CG2-CZ3 3.65Å; C14-W28 HydrophobicContact CB-CH2 3.83Å; C14-W28 HydrophobicContact CB-CZ2 4.04Å; W28-I40 HydrophobicContact CB-CB 4.17Å; W28-I40 HydrophobicContact CB-CD1 4.37Å; W28-I40 WeakPolarHBondContact O-CB 3.08Å; W28-I40 PolarHBondContact O-N 3.32Å; W28-G41 PolarHBondContact N-O 3.13Å; W28-G41 PolarHBondContact O-N 2.99Å; W28-L62 HydrophobicContact CG-CD2 4.03Å; W28-A71 HydrophobicContact CZ2-CB 4.17Å; W28-M73 HydrophobicContact CB-SD 4.06Å; W28-M73 HydrophobicContact CD2-CB 3.6Å; W28-M73 HydrophobicContact CD2-CG 4.41Å; W28-M73 HydrophobicContact CD2-SD 4.23Å; W28-M73 HydrophobicContact CE3-CB 3.72Å; W28-M73 HydrophobicContact CE3-CE 4.19Å; W28-M73 HydrophobicContact CE3-SD 4.12Å; W28-M73 HydrophobicContact CG-CB 4.18Å; W28-M73 HydrophobicContact CG-SD 4.23Å; W28-M73 HydrophobicContact CH2-CB 3.99Å; W28-M73 HydrophobicContact CZ2-CB 3.91Å; W28-M73 HydrophobicContact CZ3-CB 3.91Å; W28-Y87 WeakPolarHBondContact CA-O 3.26Å; W28-C88 HydrophobicContact CE3-CB 4.3Å; W28-C88 HydrophobicContact CH2-CB 4.35Å; W28-C88 HydrophobicContact CZ3-CB 4.22Å
29	V	97.6	Very high	94.4	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.018	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	136.9	-172.8	-175.4	0	0	0	0	109.7	L37 E38 Y86 Y87 F99 W102	V29-L37 HydrophobicContact CG1-CB 3.81Å; V29-L37 HydrophobicContact CG1-CD2 3.89Å; V29-L37 HydrophobicContact CG1-CG 4.33Å; V29-E38 CarbonylContact C-O 3.59Å; V29-E38 WeakPolarHBondContact CA-O 3.45Å; V29-E38 WeakPolarHBondContact CG1-O 3.39Å; V29-Y86 CarbonylContact O-C 3.39Å; V29-Y86 WeakPolarHBondContact O-CA 3.41Å; V29-Y87 PolarHBondContact N-O 2.5Å; V29-Y87 PolarHBondContact O-N 2.8Å; V29-F99 HydrophobicContact CG2-CD1 4.1Å; V29-F99 HydrophobicContact CG2-CE1 3.6Å; V29-W102 HydrophobicContact CB-CH2 4.08Å; V29-W102 HydrophobicContact CB-CZ3 3.83Å; V29-W102 HydrophobicContact CG1-CH2 4.04Å; V29-W102 HydrophobicContact CG1-CZ3 4.06Å; V29-W102 HydrophobicContact CG2-CH2 3.75Å; V29-W102 HydrophobicContact CG2-CZ3 3.88Å
30	K	96.6	Very high	94.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	139.9	175	-174.6	-179	179.9	-173.9	0	109.7	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.37Å; K30-E38 PolarHBondContact N-O 2.87Å; K30-E38 PolarHBondContact O-N 2.9Å; K30-I40 HydrophobicContact CB-CD1 3.98Å; K30-I40 HydrophobicContact CB-CG1 4.15Å; K30-F56 HydrophobicContact CD-CE1 4.27Å; K30-F56 HydrophobicContact CD-CZ 4.31Å; K30-E81 PolarHBondContact NZ-O 2.88Å; K30-D82 IonicContact NZ-OD1 3.46Å; K30-D82 PolarHBondContact NZ-OD1 3.05Å; K30-A84 HydrophobicContact CD-CB 4.13Å; K30-A84 HydrophobicContact CG-CB 3.46Å; K30-A84 VanDerWaalsContact CG-CB 3.46Å; K30-Y86 HydrophobicContact CB-CD1 4.2Å; K30-Y86 HydrophobicContact CB-CE1 3.96Å; K30-Y86 HydrophobicContact CD-CE1 4Å; K30-Y86 HydrophobicContact CG-CD1 4.3Å; K30-Y86 HydrophobicContact CG-CE1 3.77Å
31	Q	97.3	Very high	95	Very high	69 Å²	69	45.2 Å²	45.2	32%	0.322	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	114.5	170.5	-168.3	-177.4	30.2	0	0	110.2	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.92Å; Q31-L37 HydrophobicContact CG-CD2 4.02Å; Q31-A84 WeakPolarHBondContact O-CA 3.13Å; Q31-A84 VanDerWaalsContact O-CB 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.36Å; Q31-V85 PolarHBondContact N-O 3.34Å; Q31-V85 PolarHBondContact O-N 2.98Å; Q31-Y87 HydrophobicContact CB-CD2 4.4Å; Q31-Y87 HydrophobicContact CB-CE2 3.75Å; Q31-Y87 PolarHBondContact OE1-OH 2.86Å
32	R	95.4	Very high	95.1	Very high	56 Å²	56	45.5 Å²	45.5	21%	0.211	27%	0.269	C	S	.	.			trans	-84	151.3	170.5	-60.3	-164.5	-170.6	88.4	2	110.5	G34 Q35 E38 E81 A84	R32-G34 PolarHBondContact O-N 2.98Å; R32-Q35 HydrophobicContact CB-CB 4.01Å; R32-Q35 HydrophobicContact CB-CG 4.02Å; R32-Q35 PolarHBondContact O-N 2.82Å; R32-E38 IonicContact CZ-OE1 3.77Å; R32-E38 IonicContact NH1-OE1 3.98Å; R32-E38 PolarHBondContact NH1-OE1 3.45Å; R32-E38 IonicContact NH2-OE1 3.32Å; R32-E81 PolarHBondContact NE-O 2.81Å; R32-E81 PolarHBondContact NH2-O 2.84Å; R32-A84 HydrophobicContact CG-CB 4.27Å
33	P	92	Very high	95.2	Very high	120 Å²	120	42.7 Å²	42.7	78%	0.779	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	127.1	172.3	-24.9	34.5	0	0	0	111.3	Q35	P33-Q35 PolarHBondContact O-N 3.17Å
34	G	92.8	Very high	95.4	Very high	94 Å²	94	40.2 Å²	40.2	97%	0.969	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	72	4.8	-179.9	0	0	0	0	0	115.8	R32	R32-G34 PolarHBondContact O-N 2.98Å
35	Q	93.9	Very high	95.7	Very high	99 Å²	99	38.3 Å²	38.3	46%	0.463	23%	0.225	S	C	.	.	S	Bend	trans	-113.4	162	176.5	-58.3	-172.6	-1.2	0	0	111.8	R32 P33	R32-Q35 HydrophobicContact CB-CB 4.01Å; R32-Q35 HydrophobicContact CB-CG 4.02Å; R32-Q35 PolarHBondContact O-N 2.82Å; P33-Q35 PolarHBondContact O-N 3.17Å
36	G	94.2	Very high	95.7	Very high	55 Å²	55	38.3 Å²	38.3	57%	0.567	23%	0.233	S	C	*	.			trans	-68.2	175.9	173.4	0	0	0	0	0	113.3
37	L	95.4	Very high	95.7	Very high	97 Å²	97	42.8 Å²	42.8	51%	0.508	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	130.7	173.8	-65.3	172.9	0	0	0	110.4	V29 Q31 W102	V29-L37 HydrophobicContact CG1-CB 3.81Å; V29-L37 HydrophobicContact CG1-CD2 3.89Å; V29-L37 HydrophobicContact CG1-CG 4.33Å; Q31-L37 HydrophobicContact CB-CD2 3.92Å; Q31-L37 HydrophobicContact CG-CD2 4.02Å; L37-W102 HydrophobicContact CD1-CH2 3.88Å; L37-W102 HydrophobicContact CD1-CZ2 4.36Å
38	E	96.3	Very high	95.7	Very high	37 Å²	37	45.4 Å²	45.4	17%	0.173	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	116	175.1	-68.5	-171.9	-98.1	0	0	110.1	V29 K30 R32 I40	V29-E38 CarbonylContact C-O 3.59Å; V29-E38 WeakPolarHBondContact CA-O 3.45Å; V29-E38 WeakPolarHBondContact CG1-O 3.39Å; K30-E38 HydrophobicContact CB-CB 4.37Å; K30-E38 PolarHBondContact N-O 2.87Å; K30-E38 PolarHBondContact O-N 2.9Å; R32-E38 IonicContact CZ-OE1 3.77Å; R32-E38 IonicContact NH1-OE1 3.98Å; R32-E38 PolarHBondContact NH1-OE1 3.45Å; R32-E38 IonicContact NH2-OE1 3.32Å; E38-I40 PolarHBondContact O-N 3.31Å
39	W	96.5	Very high	95.6	Very high	81 Å²	81	49 Å²	49	31%	0.307	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	125.3	176.4	-177.9	70.2	0	0	0	111.2	H27 G41 M42 R51 N53 F99	H27-W39 AromaticContact ND1-NE1 3.48Å; H27-W39 PolarHBondContact ND1-NE1 2.9Å; W39-G41 VanDerWaalsContact CE2-C 3.47Å; W39-G41 VanDerWaalsContact CE2-CA 3.49Å; W39-G41 PolarHBondContact NE1-O 2.83Å; W39-M42 HydrophobicContact CH2-CG 4.49Å; W39-M42 HydrophobicContact CZ2-CB 4.02Å; W39-M42 HydrophobicContact CZ2-CG 3.74Å; W39-M42 HydrophobicContact CZ2-SD 3.81Å; W39-R51 HydrophobicContact CH2-CB 4.42Å; W39-N53 HydrophobicContact CE3-CB 3.83Å; W39-N53 HydrophobicContact CZ3-CB 3.91Å; W39-N53 WeakPolarHBondContact O-CB 3.43Å; W39-N53 PolarHBondContact O-ND2 2.91Å; W39-F99 AromaticContact CD1-CE1 3.73Å; W39-F99 AromaticContact CD1-CZ 3.41Å; W39-F99 VanDerWaalsContact CD1-CZ 3.41Å; W39-F99 HydrophobicContact CG-CZ 4.28Å; W39-F99 AromaticContact NE1-CZ 3.78Å
40	I	97.4	Very high	95.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-47.4	-178.5	-57.8	173.5	0	0	0	110.2	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.17Å; W28-I40 HydrophobicContact CB-CD1 4.37Å; W28-I40 WeakPolarHBondContact O-CB 3.08Å; W28-I40 PolarHBondContact O-N 3.32Å; K30-I40 HydrophobicContact CB-CD1 3.98Å; K30-I40 HydrophobicContact CB-CG1 4.15Å; E38-I40 PolarHBondContact O-N 3.31Å; I40-N53 WeakPolarHBondContact O-CB 3.27Å; I40-N53 PolarHBondContact O-N 2.99Å; I40-F56 HydrophobicContact CB-CD2 4.31Å; I40-F56 HydrophobicContact CB-CG 4.36Å; I40-F56 HydrophobicContact CG1-CD1 4.4Å; I40-F56 HydrophobicContact CG1-CD2 4.37Å; I40-F56 HydrophobicContact CG1-CE1 4.25Å; I40-F56 HydrophobicContact CG1-CE2 4.2Å; I40-F56 HydrophobicContact CG1-CG 4.45Å; I40-F56 HydrophobicContact CG1-CZ 4.15Å; I40-F56 HydrophobicContact CG2-CB 3.83Å; I40-F56 HydrophobicContact CG2-CD1 4.13Å; I40-F56 HydrophobicContact CG2-CD2 4.22Å; I40-F56 HydrophobicContact CG2-CG 3.81Å; I40-A60 HydrophobicContact CG2-CB 3.87Å; I40-M73 HydrophobicContact CD1-CE 4.08Å; I40-M73 HydrophobicContact CD1-SD 3.5Å; I40-M73 VanDerWaalsContact CD1-SD 3.5Å; I40-M73 HydrophobicContact CG2-SD 3.99Å; I40-Y86 HydrophobicContact CD1-CD1 3.71Å; I40-Y86 HydrophobicContact CD1-CE1 3.74Å
41	G	96.9	Very high	95.6	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.6	-178.5	-173.4	0	0	0	0	0	113.2	H27 W28 W39 R51	H27-G41 CarbonylContact C-O 3.54Å; H27-G41 WeakPolarHBondContact CA-O 3.35Å; W28-G41 PolarHBondContact N-O 3.13Å; W28-G41 PolarHBondContact O-N 2.99Å; W39-G41 VanDerWaalsContact CE2-C 3.47Å; W39-G41 VanDerWaalsContact CE2-CA 3.49Å; W39-G41 PolarHBondContact NE1-O 2.83Å; G41-R51 CarbonylContact C-O 3.5Å; G41-R51 WeakPolarHBondContact CA-O 3.42Å
42	M	96.2	Very high	95.6	Very high	13 Å²	13	57.2 Å²	57.2	6%	0.064	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	152.2	174.6	62.2	-161.2	-117.5	0	0	110.9	W25 M26 H27 W39 T50 R51 W98	W25-M42 HydrophobicContact CD2-CE 3.46Å; W25-M42 VanDerWaalsContact CD2-CE 3.46Å; W25-M42 HydrophobicContact CE3-CB 3.97Å; W25-M42 HydrophobicContact CE3-CE 3.07Å; W25-M42 HydrophobicContact CE3-CG 3.47Å; W25-M42 VanDerWaalsContact CE3-CG 3.47Å; W25-M42 HydrophobicContact CE3-SD 4Å; W25-M42 HydrophobicContact CG-CE 4.18Å; W25-M42 HydrophobicContact CH2-CE 3.83Å; W25-M42 HydrophobicContact CZ2-CE 4.22Å; W25-M42 HydrophobicContact CZ3-CE 3.27Å; W25-M42 HydrophobicContact CZ3-CG 3.68Å; W25-M42 HydrophobicContact CZ3-SD 4.28Å; M26-M42 CarbonylContact O-C 3.48Å; M26-M42 WeakPolarHBondContact O-CA 3.4Å; H27-M42 PolarHBondContact CE1-SD 2.88Å; W39-M42 HydrophobicContact CH2-CG 4.49Å; W39-M42 HydrophobicContact CZ2-CB 4.02Å; W39-M42 HydrophobicContact CZ2-CG 3.74Å; W39-M42 HydrophobicContact CZ2-SD 3.81Å; M42-T50 WeakPolarHBondContact O-CA 3.28Å; M42-R51 HydrophobicContact CG-CB 3.99Å; M42-R51 PolarHBondContact N-O 2.95Å; M42-R51 PolarHBondContact O-N 2.85Å; M42-W98 HydrophobicContact CE-CZ3 4.2Å
43	I	96.8	Very high	95.6	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.01	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	133.8	175.4	-176	160	0	0	0	109.3	M26 P45 E49 T50 L62 V64	M26-I43 HydrophobicContact CB-CG2 4.05Å; M26-I43 PolarHBondContact N-O 2.87Å; M26-I43 PolarHBondContact O-N 3.23Å; I43-P45 WeakPolarHBondContact O-CD 3.24Å; I43-E49 CarbonylContact C-O 3.56Å; I43-E49 VanDerWaalsContact CA-O 3.28Å; I43-E49 WeakPolarHBondContact CA-O 3.12Å; I43-T50 HydrophobicContact CB-CG2 4.04Å; I43-T50 HydrophobicContact CD1-CG2 3.61Å; I43-T50 HydrophobicContact CG1-CG2 3.74Å; I43-L62 HydrophobicContact CB-CB 4.06Å; I43-L62 HydrophobicContact CB-CD1 4.19Å; I43-L62 HydrophobicContact CD1-CB 3.99Å; I43-L62 HydrophobicContact CG2-CB 4.36Å; I43-V64 HydrophobicContact CD1-CB 4.47Å; I43-V64 HydrophobicContact CD1-CG1 3.71Å; I43-V64 HydrophobicContact CD1-CG2 4.3Å; I43-V64 HydrophobicContact CG1-CG1 3.94Å; I43-V64 HydrophobicContact CG2-CG1 4.04Å
44	D	95.4	Very high	95.8	Very high	20 Å²	20	57.7 Å²	57.7	11%	0.107	33%	0.327	C	S	.	.			trans	-83.2	115.1	169.2	-167.9	-35.4	0	0	0	108.9	W25 S46 D47 S48 E49	W25-D44 HydrophobicContact CD2-CB 3.83Å; W25-D44 HydrophobicContact CE3-CB 4.05Å; W25-D44 HydrophobicContact CG-CB 4.39Å; W25-D44 HydrophobicContact CH2-CB 4.19Å; W25-D44 HydrophobicContact CZ2-CB 3.88Å; W25-D44 HydrophobicContact CZ3-CB 4.24Å; W25-D44 PolarHBondContact NE1-OD2 3.48Å; D44-S46 VanDerWaalsContact CG-OG 3.22Å; D44-S46 PolarHBondContact O-N 2.88Å; D44-S46 WeakPolarHBondContact OD1-CB 3.44Å; D44-S46 PolarHBondContact OD1-N 3.39Å; D44-S46 PolarHBondContact OD1-OG 3.06Å; D44-S46 PolarHBondContact OD2-OG 3.49Å; D44-D47 WeakPolarHBondContact CB-OD1 3.32Å; D44-S48 WeakPolarHBondContact O-CA 3.22Å; D44-S48 PolarHBondContact O-N 3.21Å; D44-E49 HydrophobicContact CB-CB 4.33Å; D44-E49 PolarHBondContact N-O 2.84Å
45	P	95.4	Very high	95.8	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-12	179.8	-16.9	32.6	0	0	0	114.2	F21 Y24 I43 V64 K66	F21-P45 HydrophobicContact CD1-CB 3.83Å; F21-P45 HydrophobicContact CD2-CB 4.32Å; F21-P45 HydrophobicContact CD2-CG 4.15Å; F21-P45 HydrophobicContact CE1-CB 3.54Å; F21-P45 HydrophobicContact CE1-CG 4.17Å; F21-P45 HydrophobicContact CE2-CB 4.06Å; F21-P45 HydrophobicContact CE2-CG 3.75Å; F21-P45 HydrophobicContact CG-CB 4.23Å; F21-P45 HydrophobicContact CZ-CB 3.67Å; F21-P45 HydrophobicContact CZ-CG 3.77Å; F21-P45 WeakPolarHBondContact O-CG 3.28Å; Y24-P45 WeakPolarHBondContact O-CD 3.44Å; Y24-P45 WeakPolarHBondContact O-CG 3.48Å; I43-P45 WeakPolarHBondContact O-CD 3.24Å; P45-V64 HydrophobicContact CB-CG1 4.08Å; P45-V64 HydrophobicContact CG-CG1 4.37Å; P45-K66 WeakPolarHBondContact O-CE 3.06Å
46	S	94.8	Very high	95.9	Very high	51 Å²	51	56.1 Å²	56.1	36%	0.357	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-43.8	-179.9	72.6	0	0	0	0	112.8	T22 D44 K66	T22-S46 WeakPolarHBondContact O-CB 3.43Å; D44-S46 VanDerWaalsContact CG-OG 3.22Å; D44-S46 PolarHBondContact O-N 2.88Å; D44-S46 WeakPolarHBondContact OD1-CB 3.44Å; D44-S46 PolarHBondContact OD1-N 3.39Å; D44-S46 PolarHBondContact OD1-OG 3.06Å; D44-S46 PolarHBondContact OD2-OG 3.49Å; S46-K66 PolarHBondContact O-NZ 3.39Å
47	D	95.4	Very high	95.8	Very high	98 Å²	98	59.3 Å²	59.3	52%	0.524	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.5	-3.9	-177	64.6	7.7	0	0	0	113.8	D44 E49	D44-D47 WeakPolarHBondContact CB-OD1 3.32Å; D47-E49 VanDerWaalsContact C-N 3.31Å; D47-E49 WeakPolarHBondContact OD1-CB 3.36Å; D47-E49 PolarHBondContact OD1-N 3.07Å
48	S	95.7	Very high	95.7	Very high	57 Å²	57	61.9 Å²	61.9	40%	0.399	30%	0.304	S	S	.	.			trans	68.1	21.8	-176.2	-37.3	0	0	0	0	114.3	D44 T50	D44-S48 WeakPolarHBondContact O-CA 3.22Å; D44-S48 PolarHBondContact O-N 3.21Å; S48-T50 PolarHBondContact O-N 3.26Å
49	E	96.6	Very high	95.6	Very high	77 Å²	77	63.5 Å²	63.5	36%	0.36	31%	0.311	S	S	.	.			trans	-58.7	133.6	168.4	-169.7	-171.8	147.4	0	0	109.5	W25 I43 D44 D47 R51	W25-E49 HydrophobicContact CH2-CB 4.17Å; W25-E49 HydrophobicContact CH2-CG 4.07Å; I43-E49 CarbonylContact C-O 3.56Å; I43-E49 VanDerWaalsContact CA-O 3.28Å; I43-E49 WeakPolarHBondContact CA-O 3.12Å; D44-E49 HydrophobicContact CB-CB 4.33Å; D44-E49 PolarHBondContact N-O 2.84Å; D47-E49 VanDerWaalsContact C-N 3.31Å; D47-E49 WeakPolarHBondContact OD1-CB 3.36Å; D47-E49 PolarHBondContact OD1-N 3.07Å; E49-R51 IonicContact OE1-CZ 3.89Å; E49-R51 VanDerWaalsContact OE1-CZ 3.32Å; E49-R51 IonicContact OE1-NE 2.83Å; E49-R51 PolarHBondContact OE1-NE 2.79Å; E49-R51 IonicContact OE1-NH2 2.87Å; E49-R51 PolarHBondContact OE1-NH2 2.79Å; E49-R51 IonicContact OE2-NH2 2.65Å
50	T	96.9	Very high	95.6	Very high	68 Å²	68	59.8 Å²	59.8	42%	0.417	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	141.3	178.6	57.5	0	0	0	0	111.5	M42 I43 S48 L62	M42-T50 WeakPolarHBondContact O-CA 3.28Å; I43-T50 HydrophobicContact CB-CG2 4.04Å; I43-T50 HydrophobicContact CD1-CG2 3.61Å; I43-T50 HydrophobicContact CG1-CG2 3.74Å; S48-T50 PolarHBondContact O-N 3.26Å; T50-L62 HydrophobicContact CG2-CB 3.98Å
51	R	96.2	Very high	95.6	Very high	127 Å²	127	63.1 Å²	63.1	48%	0.479	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	117.2	170.2	-60.4	-176.8	-174.8	173.6	4.3	108.8	W25 W39 G41 M42 E49	W25-R51 HydrophobicContact CH2-CG 4.49Å; W25-R51 HydrophobicContact CZ3-CG 4.26Å; W39-R51 HydrophobicContact CH2-CB 4.42Å; G41-R51 CarbonylContact C-O 3.5Å; G41-R51 WeakPolarHBondContact CA-O 3.42Å; M42-R51 HydrophobicContact CG-CB 3.99Å; M42-R51 PolarHBondContact N-O 2.95Å; M42-R51 PolarHBondContact O-N 2.85Å; E49-R51 IonicContact OE1-CZ 3.89Å; E49-R51 VanDerWaalsContact OE1-CZ 3.32Å; E49-R51 IonicContact OE1-NE 2.83Å; E49-R51 PolarHBondContact OE1-NE 2.79Å; E49-R51 IonicContact OE1-NH2 2.87Å; E49-R51 PolarHBondContact OE1-NH2 2.79Å; E49-R51 IonicContact OE2-NH2 2.65Å
52	L	97.2	Very high	95.7	Very high	49 Å²	49	63.7 Å²	63.7	26%	0.257	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	144.2	179.1	-70.1	171.2	0	0	0	110.1	A60 L62	L52-A60 VanDerWaalsContact CD1-O 3.27Å; L52-A60 WeakPolarHBondContact CD1-O 3.37Å; L52-A60 HydrophobicContact CD2-CB 4.3Å; L52-L62 HydrophobicContact CD2-CD1 3.96Å; L52-L62 HydrophobicContact CD2-CG 3.95Å
53	N	96.4	Very high	95.7	Very high	47 Å²	47	65.9 Å²	65.9	25%	0.251	34%	0.335	S	S	.	.			trans	-65.7	138.3	163.7	-179.8	-25.8	0	0	0	109.1	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.83Å; W39-N53 HydrophobicContact CZ3-CB 3.91Å; W39-N53 WeakPolarHBondContact O-CB 3.43Å; W39-N53 PolarHBondContact O-ND2 2.91Å; I40-N53 WeakPolarHBondContact O-CB 3.27Å; I40-N53 PolarHBondContact O-N 2.99Å; N53-K55 PolarHBondContact O-N 3.08Å; N53-K55 PolarHBondContact OD1-N 3.41Å; N53-K55 VanDerWaalsContact OD1-N 3.13Å; N53-F56 HydrophobicContact CB-CD2 4.07Å; N53-F56 PolarHBondContact O-N 3.37Å; N53-K57 PolarHBondContact O-N 2.86Å
54	Q	95.5	Very high	95.8	Very high	140 Å²	140	67.2 Å²	67.2	65%	0.654	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-51.9	-34.7	-178	-168.7	63.3	22.4	0	0	113.1	F56 K57	Q54-F56 PolarHBondContact O-N 3Å; Q54-K57 PolarHBondContact O-N 3.03Å
55	K	93.1	Very high	95.9	Very high	151 Å²	151	68.9 Å²	68.9	66%	0.657	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-62.5	-24.1	177.3	-68	-173.4	-175.7	-177.2	0	114.2	N53	N53-K55 PolarHBondContact O-N 3.08Å; N53-K55 PolarHBondContact OD1-N 3.41Å; N53-K55 VanDerWaalsContact OD1-N 3.13Å
56	F	94.7	Very high	95.8	Very high	8 Å²	8	73.8 Å²	73.8	4%	0.035	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-114.9	-1.4	-173.1	-62.6	-83.2	0	0	0	113.2	K30 I40 N53 Q54 D58 K59 A60	K30-F56 HydrophobicContact CD-CE1 4.27Å; K30-F56 HydrophobicContact CD-CZ 4.31Å; I40-F56 HydrophobicContact CB-CD2 4.31Å; I40-F56 HydrophobicContact CB-CG 4.36Å; I40-F56 HydrophobicContact CG1-CD1 4.4Å; I40-F56 HydrophobicContact CG1-CD2 4.37Å; I40-F56 HydrophobicContact CG1-CE1 4.25Å; I40-F56 HydrophobicContact CG1-CE2 4.2Å; I40-F56 HydrophobicContact CG1-CG 4.45Å; I40-F56 HydrophobicContact CG1-CZ 4.15Å; I40-F56 HydrophobicContact CG2-CB 3.83Å; I40-F56 HydrophobicContact CG2-CD1 4.13Å; I40-F56 HydrophobicContact CG2-CD2 4.22Å; I40-F56 HydrophobicContact CG2-CG 3.81Å; N53-F56 HydrophobicContact CB-CD2 4.07Å; N53-F56 PolarHBondContact O-N 3.37Å; Q54-F56 PolarHBondContact O-N 3Å; F56-D58 PolarHBondContact O-N 2.88Å; F56-K59 PolarHBondContact O-N 2.89Å; F56-A60 HydrophobicContact CB-CB 4.16Å; F56-A60 PolarHBondContact O-N 3Å
57	K	93.4	Very high	95.8	Very high	123 Å²	123	76.7 Å²	76.7	54%	0.535	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-37	-173.7	-165.8	176.4	-177.4	-179.9	0	113.5	N53 Q54	N53-K57 PolarHBondContact O-N 2.86Å; Q54-K57 PolarHBondContact O-N 3.03Å
58	D	92.8	Very high	95.9	Very high	151 Å²	151	73.8 Å²	73.8	81%	0.807	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-4	-179.7	-53.5	-40.9	0	0	0	113.2	F56	F56-D58 PolarHBondContact O-N 2.88Å
59	K	93.6	Very high	95.9	Very high	70 Å²	70	73.1 Å²	73.1	30%	0.304	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-33.9	-177	-75.8	-167.2	169.4	-165.1	0	113.6	F56 L75 S76 D82	F56-K59 PolarHBondContact O-N 2.89Å; K59-L75 CarbonylContact O-C 3.55Å; K59-L75 WeakPolarHBondContact O-CA 3.48Å; K59-S76 PolarHBondContact O-N 2.93Å; K59-D82 IonicContact NZ-OD1 2.91Å; K59-D82 IonicContact NZ-OD2 2.83Å; K59-D82 PolarHBondContact NZ-OD2 2.83Å
60	A	96.8	Very high	95.9	Very high	3 Å²	3	69.9 Å²	69.9	3%	0.025	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	133.5	-170.6	0	0	0	0	0	111.6	I40 L52 F56 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.87Å; L52-A60 VanDerWaalsContact CD1-O 3.27Å; L52-A60 WeakPolarHBondContact CD1-O 3.37Å; L52-A60 HydrophobicContact CD2-CB 4.3Å; F56-A60 HydrophobicContact CB-CB 4.16Å; F56-A60 PolarHBondContact O-N 3Å; A60-Q74 CarbonylContact C-O 3.5Å; A60-Q74 WeakPolarHBondContact CA-O 3.41Å; A60-L75 HydrophobicContact CB-CD2 4.03Å
61	T	97.8	Very high	96	Very high	71 Å²	71	66.6 Å²	66.6	44%	0.436	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	126.2	170.9	-56.2	0	0	0	0	109	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.33Å; T61-M73 WeakPolarHBondContact O-CA 3.49Å; T61-Q74 PolarHBondContact N-O 2.82Å; T61-Q74 PolarHBondContact O-N 2.73Å
62	L	98.2	Very high	96.1	Very high	12 Å²	12	62.9 Å²	62.9	6%	0.063	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	136.1	176.9	-52	-175.3	0	0	0	109.8	W28 I43 T50 L52 Y72 M73	W28-L62 HydrophobicContact CG-CD2 4.03Å; I43-L62 HydrophobicContact CB-CB 4.06Å; I43-L62 HydrophobicContact CB-CD1 4.19Å; I43-L62 HydrophobicContact CD1-CB 3.99Å; I43-L62 HydrophobicContact CG2-CB 4.36Å; T50-L62 HydrophobicContact CG2-CB 3.98Å; L52-L62 HydrophobicContact CD2-CD1 3.96Å; L52-L62 HydrophobicContact CD2-CG 3.95Å; L62-Y72 WeakPolarHBondContact CA-O 3.48Å; L62-M73 HydrophobicContact CD2-CB 3.77Å; L62-M73 HydrophobicContact CD2-CG 3.63Å; L62-M73 HydrophobicContact CD2-SD 4.44Å
63	T	98	Very high	96.1	Very high	58 Å²	58	60.5 Å²	60.5	36%	0.356	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	159.6	177.5	53.4	0	0	0	0	110.5	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.33Å; T63-Y72 PolarHBondContact N-O 2.79Å; T63-Y72 PolarHBondContact O-N 2.02Å
64	V	97.7	Very high	96.1	Very high	30 Å²	30	61.7 Å²	61.7	18%	0.182	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	144.6	176	-71	0	0	0	0	110.7	F21 I43 P45 A71	F21-V64 HydrophobicContact CE1-CB 4.37Å; F21-V64 HydrophobicContact CE1-CG1 4.37Å; F21-V64 HydrophobicContact CZ-CB 4.49Å; F21-V64 HydrophobicContact CZ-CG1 4.06Å; I43-V64 HydrophobicContact CD1-CB 4.47Å; I43-V64 HydrophobicContact CD1-CG1 3.71Å; I43-V64 HydrophobicContact CD1-CG2 4.3Å; I43-V64 HydrophobicContact CG1-CG1 3.94Å; I43-V64 HydrophobicContact CG2-CG1 4.04Å; P45-V64 HydrophobicContact CB-CG1 4.08Å; P45-V64 HydrophobicContact CG-CG1 4.37Å; V64-A71 HydrophobicContact CG1-CB 4.2Å
65	D	96.8	Very high	96.1	Very high	55 Å²	55	55.2 Å²	55.2	29%	0.294	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	106	165	175	5.7	0	0	0	108.1	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 3.37Å; D65-S67 WeakPolarHBondContact OD1-CB 3.43Å; D65-S67 PolarHBondContact OD1-N 3.2Å; D65-S67 PolarHBondContact OD1-OG 3.09Å; D65-S67 PolarHBondContact OD2-OG 2.94Å; D65-S68 WeakPolarHBondContact CB-OG 3.27Å; D65-S68 PolarHBondContact OD1-N 3.42Å; D65-S68 WeakPolarHBondContact OD2-CB 3Å; D65-S68 PolarHBondContact OD2-OG 3.03Å; D65-S69 PolarHBondContact O-N 2.83Å; D65-S69 VanDerWaalsContact O-N 3.08Å; D65-T70 PolarHBondContact N-O 2.82Å; D65-T70 PolarHBondContact O-N 2.86Å; D65-Y72 HydrophobicContact CB-CE2 3.84Å
66	K	94.9	Very high	96.2	Very high	104 Å²	104	50 Å²	50	45%	0.452	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-31.4	-178	-56.4	-174.7	-164.5	-177.7	0	111.8	P45 S46 S68 S69	P45-K66 WeakPolarHBondContact O-CE 3.06Å; S46-K66 PolarHBondContact O-NZ 3.39Å; K66-S68 VanDerWaalsContact C-N 3.33Å; K66-S68 PolarHBondContact O-N 3.48Å; K66-S69 PolarHBondContact O-N 3.49Å
67	S	94.3	Very high	96	Very high	111 Å²	111	53.1 Å²	53.1	78%	0.776	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-38.3	-177.8	74.1	0	0	0	0	111.8	D65	D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 3.37Å; D65-S67 WeakPolarHBondContact OD1-CB 3.43Å; D65-S67 PolarHBondContact OD1-N 3.2Å; D65-S67 PolarHBondContact OD1-OG 3.09Å; D65-S67 PolarHBondContact OD2-OG 2.94Å
68	S	96.3	Very high	95.9	Very high	37 Å²	37	47.3 Å²	47.3	26%	0.259	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	2.4	177.3	66.5	0	0	0	0	113.6	D65 K66 T70	D65-S68 WeakPolarHBondContact CB-OG 3.27Å; D65-S68 PolarHBondContact OD1-N 3.42Å; D65-S68 WeakPolarHBondContact OD2-CB 3Å; D65-S68 PolarHBondContact OD2-OG 3.03Å; K66-S68 VanDerWaalsContact C-N 3.33Å; K66-S68 PolarHBondContact O-N 3.48Å; S68-T70 PolarHBondContact O-N 3.48Å; S68-T70 PolarHBondContact O-OG1 3.18Å; S68-T70 WeakPolarHBondContact OG-CB 2.97Å; S68-T70 PolarHBondContact OG-OG1 2.84Å
69	S	96.6	Very high	95.9	Very high	43 Å²	43	42.9 Å²	42.9	30%	0.301	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	44.4	-174.4	-63.8	0	0	0	0	112.7	A16 F21 D65 K66	A16-S69 WeakPolarHBondContact CB-O 3.25Å; A16-S69 PolarHBondContact N-O 3.06Å; F21-S69 VanDerWaalsContact CD1-CA 3.49Å; D65-S69 PolarHBondContact O-N 2.83Å; D65-S69 VanDerWaalsContact O-N 3.08Å; K66-S69 PolarHBondContact O-N 3.49Å
70	T	97.7	Very high	95.8	Very high	9 Å²	9	43 Å²	43	6%	0.055	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	127.9	-173.2	-57.2	0	0	0	0	111	C14 K15 D65 S68 Y72	C14-T70 WeakPolarHBondContact O-CA 2.99Å; K15-T70 HydrophobicContact CB-CG2 4.49Å; D65-T70 PolarHBondContact N-O 2.82Å; D65-T70 PolarHBondContact O-N 2.86Å; S68-T70 PolarHBondContact O-N 3.48Å; S68-T70 PolarHBondContact O-OG1 3.18Å; S68-T70 WeakPolarHBondContact OG-CB 2.97Å; S68-T70 PolarHBondContact OG-OG1 2.84Å; T70-Y72 HydrophobicContact CG2-CD1 4.19Å; T70-Y72 HydrophobicContact CG2-CD2 4.32Å; T70-Y72 HydrophobicContact CG2-CE1 3.61Å; T70-Y72 HydrophobicContact CG2-CE2 3.73Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.26Å
71	A	97.6	Very high	95.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	148.6	167.3	0	0	0	0	0	109.9	S13 C14 F21 M26 W28 V64	S13-A71 CarbonylContact C-O 3.51Å; S13-A71 WeakPolarHBondContact CA-O 3.4Å; C14-A71 PolarHBondContact N-O 2.81Å; C14-A71 PolarHBondContact O-N 2.98Å; F21-A71 HydrophobicContact CE2-CB 4.25Å; F21-A71 HydrophobicContact CZ-CB 3.94Å; M26-A71 HydrophobicContact CB-CB 4.22Å; M26-A71 HydrophobicContact CG-CB 3.77Å; W28-A71 HydrophobicContact CZ2-CB 4.17Å; V64-A71 HydrophobicContact CG1-CB 4.2Å
72	Y	98	Very high	95.2	Very high	48 Å²	48	46.2 Å²	46.2	19%	0.188	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	144.2	177.1	-55.3	-88.5	0	0	0	111.2	K11 I12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.26Å; K11-Y72 VanDerWaalsContact CE-CB 3.5Å; K11-Y72 HydrophobicContact CG-CD1 4.22Å; I12-Y72 CarbonylContact O-C 3.59Å; I12-Y72 WeakPolarHBondContact O-CA 3.36Å; S13-Y72 VanDerWaalsContact CB-CE1 3.47Å; L62-Y72 WeakPolarHBondContact CA-O 3.48Å; T63-Y72 PolarHBondContact N-O 2.79Å; T63-Y72 PolarHBondContact O-N 2.02Å; D65-Y72 HydrophobicContact CB-CE2 3.84Å; T70-Y72 HydrophobicContact CG2-CD1 4.19Å; T70-Y72 HydrophobicContact CG2-CD2 4.32Å; T70-Y72 HydrophobicContact CG2-CE1 3.61Å; T70-Y72 HydrophobicContact CG2-CE2 3.73Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.26Å
73	M	97.8	Very high	95.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	124	165.1	-179.5	-174	71.2	0	0	108.6	I12 W28 I40 T61 L62 L75 Y86	I12-M73 HydrophobicContact CD1-CE 3.33Å; I12-M73 HydrophobicContact CG1-CE 4.46Å; I12-M73 PolarHBondContact N-O 3.11Å; I12-M73 PolarHBondContact O-N 2.83Å; W28-M73 HydrophobicContact CB-SD 4.06Å; W28-M73 HydrophobicContact CD2-CB 3.6Å; W28-M73 HydrophobicContact CD2-CG 4.41Å; W28-M73 HydrophobicContact CD2-SD 4.23Å; W28-M73 HydrophobicContact CE3-CB 3.72Å; W28-M73 HydrophobicContact CE3-CE 4.19Å; W28-M73 HydrophobicContact CE3-SD 4.12Å; W28-M73 HydrophobicContact CG-CB 4.18Å; W28-M73 HydrophobicContact CG-SD 4.23Å; W28-M73 HydrophobicContact CH2-CB 3.99Å; W28-M73 HydrophobicContact CZ2-CB 3.91Å; W28-M73 HydrophobicContact CZ3-CB 3.91Å; I40-M73 HydrophobicContact CD1-CE 4.08Å; I40-M73 HydrophobicContact CD1-SD 3.5Å; I40-M73 VanDerWaalsContact CD1-SD 3.5Å; I40-M73 HydrophobicContact CG2-SD 3.99Å; T61-M73 WeakPolarHBondContact O-CA 3.49Å; L62-M73 HydrophobicContact CD2-CB 3.77Å; L62-M73 HydrophobicContact CD2-CG 3.63Å; L62-M73 HydrophobicContact CD2-SD 4.44Å; M73-L75 HydrophobicContact CE-CD1 3.92Å; M73-L75 HydrophobicContact CE-CD2 4.2Å; M73-L75 HydrophobicContact CE-CG 3.92Å; M73-L75 HydrophobicContact SD-CD2 4.31Å; M73-Y86 HydrophobicContact CE-CD1 3.4Å; M73-Y86 VanDerWaalsContact CE-CD1 3.4Å; M73-Y86 HydrophobicContact CE-CE1 3.82Å; M73-Y86 HydrophobicContact CE-CG 4.06Å
74	Q	97.3	Very high	95	Very high	71 Å²	71	44.5 Å²	44.5	33%	0.332	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	128	170.3	-179.5	172.8	-14.4	0	0	109.1	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.55Å; V10-Q74 VanDerWaalsContact O-CA 3.3Å; V10-Q74 WeakPolarHBondContact O-CA 3.43Å; A60-Q74 CarbonylContact C-O 3.5Å; A60-Q74 WeakPolarHBondContact CA-O 3.41Å; T61-Q74 PolarHBondContact N-O 2.82Å; T61-Q74 PolarHBondContact O-N 2.73Å
75	L	95.4	Very high	95	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.021	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	124.6	169.5	-64.5	166.7	0	0	0	108.8	S9 V10 I12 K59 A60 M73 Y86	S9-L75 VanDerWaalsContact CA-O 3.27Å; S9-L75 WeakPolarHBondContact CA-O 3.22Å; V10-L75 HydrophobicContact CG1-CB 3.72Å; V10-L75 HydrophobicContact CG1-CD1 4.04Å; V10-L75 HydrophobicContact CG1-CG 4.36Å; V10-L75 PolarHBondContact N-O 2.96Å; V10-L75 PolarHBondContact O-N 2.94Å; I12-L75 HydrophobicContact CD1-CD1 4.39Å; K59-L75 CarbonylContact O-C 3.55Å; K59-L75 WeakPolarHBondContact O-CA 3.48Å; A60-L75 HydrophobicContact CB-CD2 4.03Å; M73-L75 HydrophobicContact CE-CD1 3.92Å; M73-L75 HydrophobicContact CE-CD2 4.2Å; M73-L75 HydrophobicContact CE-CG 3.92Å; M73-L75 HydrophobicContact SD-CD2 4.31Å; L75-Y86 HydrophobicContact CD1-CD1 4.43Å; L75-Y86 HydrophobicContact CD1-CE1 3.66Å; L75-Y86 HydrophobicContact CD1-CE2 4.11Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.45Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.21Å
76	S	94.1	Very high	95.1	Very high	41 Å²	41	42.4 Å²	42.4	29%	0.287	25%	0.248	S	C	.	.	S	Bend	trans	-92.7	130.9	178.7	-61.8	0	0	0	0	110.1	K59	K59-S76 PolarHBondContact O-N 2.93Å
77	S	90.8	Very high	95.2	Very high	74 Å²	74	39.6 Å²	39.6	52%	0.517	24%	0.235	S	C	.	.	S	Bend	trans	46	53.5	177.4	-56.1	0	0	0	0	114.5
78	P	91.6	Very high	95.3	Very high	2 Å²	2	35 Å²	35	1%	0.013	20%	0.202	C	C	.	.			trans	-64.4	145.7	-179.2	33.4	-37.5	0	0	0	110.4	V4 A8 V10 D82 V110	V4-P78 HydrophobicContact CG1-CG 4.06Å; A8-P78 WeakPolarHBondContact O-CD 3.35Å; A8-P78 WeakPolarHBondContact O-CG 3.3Å; V10-P78 HydrophobicContact CG1-CG 4.23Å; P78-D82 HydrophobicContact CB-CB 3.97Å; P78-V110 HydrophobicContact CB-CG2 3.91Å; P78-V110 HydrophobicContact CG-CG2 4.13Å
79	T	92.2	Very high	95.3	Very high	58 Å²	58	33.3 Å²	33.3	36%	0.356	19%	0.191	S	C	.	.			trans	-105.5	174.5	176.3	65.2	0	0	0	0	110.7	E81 D82 V110	T79-E81 PolarHBondContact O-N 2.84Å; T79-E81 VanDerWaalsContact O-N 3.16Å; T79-D82 PolarHBondContact N-OD2 2.92Å; T79-D82 WeakPolarHBondContact O-CA 3.33Å; T79-D82 WeakPolarHBondContact O-CB 3.17Å; T79-D82 PolarHBondContact O-N 2.87Å; T79-V110 WeakPolarHBondContact O-CB 3.47Å; T79-V110 WeakPolarHBondContact O-CG2 3.42Å
80	S	91.3	Very high	95	Very high	71 Å²	71	32.5 Å²	32.5	50%	0.497	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-54.1	-33.4	175.4	54.3	0	0	0	0	113	D82 S83	S80-D82 PolarHBondContact O-N 2.89Å; S80-S83 VanDerWaalsContact O-CB 3.26Å; S80-S83 WeakPolarHBondContact O-CB 3.28Å; S80-S83 PolarHBondContact O-N 2.85Å; S80-S83 PolarHBondContact O-OG 2.86Å
81	E	89.9	Confident	94.4	Very high	136 Å²	136	33 Å²	33	64%	0.636	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-67.4	-14.2	174.9	-59	-177.9	172.1	0	0	114.3	K30 R32 T79 S83	K30-E81 PolarHBondContact NZ-O 2.88Å; R32-E81 PolarHBondContact NE-O 2.81Å; R32-E81 PolarHBondContact NH2-O 2.84Å; T79-E81 PolarHBondContact O-N 2.84Å; T79-E81 VanDerWaalsContact O-N 3.16Å; E81-S83 VanDerWaalsContact C-N 3.33Å
82	D	92.8	Very high	93.5	Very high	7 Å²	7	33.4 Å²	33.4	4%	0.037	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-87	-3.5	173.1	-67.2	-46.5	0	0	0	113.2	K30 K59 P78 T79 S80 A84 Y86	K30-D82 IonicContact NZ-OD1 3.46Å; K30-D82 PolarHBondContact NZ-OD1 3.05Å; K59-D82 IonicContact NZ-OD1 2.91Å; K59-D82 IonicContact NZ-OD2 2.83Å; K59-D82 PolarHBondContact NZ-OD2 2.83Å; P78-D82 HydrophobicContact CB-CB 3.97Å; T79-D82 PolarHBondContact N-OD2 2.92Å; T79-D82 WeakPolarHBondContact O-CA 3.33Å; T79-D82 WeakPolarHBondContact O-CB 3.17Å; T79-D82 PolarHBondContact O-N 2.87Å; S80-D82 PolarHBondContact O-N 2.89Å; D82-A84 PolarHBondContact O-N 2.89Å; D82-Y86 WeakPolarHBondContact O-CE2 3.4Å; D82-Y86 PolarHBondContact O-OH 2.88Å
83	S	95.2	Very high	92.3	Very high	33 Å²	33	37.1 Å²	37.1	23%	0.231	21%	0.212	C	C	.	.			trans	-64.3	117.3	171.1	-56.7	0	0	0	0	111.3	S80 E81 V108 V110	S80-S83 VanDerWaalsContact O-CB 3.26Å; S80-S83 WeakPolarHBondContact O-CB 3.28Å; S80-S83 PolarHBondContact O-N 2.85Å; S80-S83 PolarHBondContact O-OG 2.86Å; E81-S83 VanDerWaalsContact C-N 3.33Å; S83-V108 CarbonylContact C-O 3.6Å; S83-V108 VanDerWaalsContact CA-O 3.28Å; S83-V108 WeakPolarHBondContact CA-O 3.29Å; S83-V110 PolarHBondContact OG-N 2.63Å
84	A	96.8	Very high	90.7	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.008	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	169.5	-172.1	0	0	0	0	0	111.2	K30 Q31 R32 D82 Y86 V108	K30-A84 HydrophobicContact CD-CB 4.13Å; K30-A84 HydrophobicContact CG-CB 3.46Å; K30-A84 VanDerWaalsContact CG-CB 3.46Å; Q31-A84 WeakPolarHBondContact O-CA 3.13Å; Q31-A84 VanDerWaalsContact O-CB 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.36Å; R32-A84 HydrophobicContact CG-CB 4.27Å; D82-A84 PolarHBondContact O-N 2.89Å; A84-Y86 HydrophobicContact CB-CD2 4.34Å; A84-Y86 HydrophobicContact CB-CE2 3.85Å; A84-V108 PolarHBondContact N-O 2.64Å; A84-V108 PolarHBondContact O-N 2.83Å
85	V	97.9	Very high	88.8	Confident	38 Å²	38	46 Å²	46	23%	0.23	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	127.5	161.3	-170.9	0	0	0	0	108.5	Q31 Y87 L107	Q31-V85 PolarHBondContact N-O 3.34Å; Q31-V85 PolarHBondContact O-N 2.98Å; V85-Y87 HydrophobicContact CB-CE2 3.82Å; V85-Y87 HydrophobicContact CG1-CD1 4.41Å; V85-Y87 HydrophobicContact CG1-CD2 4.25Å; V85-Y87 HydrophobicContact CG1-CE1 3.76Å; V85-Y87 HydrophobicContact CG1-CE2 3.6Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.45Å; V85-L107 HydrophobicContact CG2-CD1 4.12Å
86	Y	97.9	Very high	87.3	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.008	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	124.3	178.3	-71	-90	0	0	0	110.1	I12 V29 K30 I40 M73 L75 D82 A84 G105 T106 V108	I12-Y86 HydrophobicContact CD1-CD1 4.17Å; I12-Y86 HydrophobicContact CD1-CD2 3.93Å; I12-Y86 HydrophobicContact CD1-CG 3.65Å; V29-Y86 CarbonylContact O-C 3.39Å; V29-Y86 WeakPolarHBondContact O-CA 3.41Å; K30-Y86 HydrophobicContact CB-CD1 4.2Å; K30-Y86 HydrophobicContact CB-CE1 3.96Å; K30-Y86 HydrophobicContact CD-CE1 4Å; K30-Y86 HydrophobicContact CG-CD1 4.3Å; K30-Y86 HydrophobicContact CG-CE1 3.77Å; I40-Y86 HydrophobicContact CD1-CD1 3.71Å; I40-Y86 HydrophobicContact CD1-CE1 3.74Å; M73-Y86 HydrophobicContact CE-CD1 3.4Å; M73-Y86 VanDerWaalsContact CE-CD1 3.4Å; M73-Y86 HydrophobicContact CE-CE1 3.82Å; M73-Y86 HydrophobicContact CE-CG 4.06Å; L75-Y86 HydrophobicContact CD1-CD1 4.43Å; L75-Y86 HydrophobicContact CD1-CE1 3.66Å; L75-Y86 HydrophobicContact CD1-CE2 4.11Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.45Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.21Å; D82-Y86 WeakPolarHBondContact O-CE2 3.4Å; D82-Y86 PolarHBondContact O-OH 2.88Å; A84-Y86 HydrophobicContact CB-CD2 4.34Å; A84-Y86 HydrophobicContact CB-CE2 3.85Å; Y86-G105 CarbonylContact O-C 3.41Å; Y86-G105 VanDerWaalsContact O-CA 3.28Å; Y86-G105 WeakPolarHBondContact O-CA 3.12Å; Y86-T106 PolarHBondContact N-O 2.91Å; Y86-T106 PolarHBondContact O-N 3.43Å; Y86-V108 HydrophobicContact CD2-CB 3.91Å; Y86-V108 HydrophobicContact CD2-CG2 3.75Å; Y86-V108 HydrophobicContact CE2-CB 3.84Å; Y86-V108 HydrophobicContact CE2-CG2 4.1Å
87	Y	97.9	Very high	86.3	Confident	46 Å²	46	54.8 Å²	54.8	18%	0.18	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	144.4	180	-56.9	-87.5	0	0	0	110.3	W28 V29 Q31 V85 W102	W28-Y87 WeakPolarHBondContact CA-O 3.26Å; V29-Y87 PolarHBondContact N-O 2.5Å; V29-Y87 PolarHBondContact O-N 2.8Å; Q31-Y87 HydrophobicContact CB-CD2 4.4Å; Q31-Y87 HydrophobicContact CB-CE2 3.75Å; Q31-Y87 PolarHBondContact OE1-OH 2.86Å; V85-Y87 HydrophobicContact CB-CE2 3.82Å; V85-Y87 HydrophobicContact CG1-CD1 4.41Å; V85-Y87 HydrophobicContact CG1-CD2 4.25Å; V85-Y87 HydrophobicContact CG1-CE1 3.76Å; V85-Y87 HydrophobicContact CG1-CE2 3.6Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.45Å; Y87-W102 HydrophobicContact CD1-CE3 4.46Å; Y87-W102 HydrophobicContact CD2-CZ3 4.49Å; Y87-W102 HydrophobicContact CG-CE3 4.06Å; Y87-W102 HydrophobicContact CG-CZ3 4.21Å
88	C	96.8	Very high	85.4	Confident	13 Å²	13	58.3 Å²	58.3	9%	0.088	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	150.3	156.8	61.8	0	0	0	0	109.2	C14 M26 H27 W28 G103	C14-C88 HydrophobicContact CB-CB 3.41Å; C14-C88 VanDerWaalsContact CB-CB 3.41Å; C14-C88 WeakPolarHBondContact CB-SG 3.25Å; C14-C88 WeakPolarHBondContact SG-CB 3.35Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.35Å; M26-C88 HydrophobicContact CG-CB 4.4Å; M26-C88 HydrophobicContact SD-CB 3.77Å; H27-C88 CarbonylContact O-C 3.57Å; H27-C88 WeakPolarHBondContact O-CA 3.35Å; W28-C88 HydrophobicContact CE3-CB 4.3Å; W28-C88 HydrophobicContact CH2-CB 4.35Å; W28-C88 HydrophobicContact CZ3-CB 4.22Å; C88-G103 PolarHBondContact O-N 2.61Å
89	A	95.8	Very high	85	Confident	2 Å²	2	60.9 Å²	60.9	2%	0.017	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	150.3	175.1	0	0	0	0	0	110.1	H27 F99 Y101 W102	H27-A89 WeakPolarHBondContact CA-O 3.44Å; H27-A89 WeakPolarHBondContact CB-O 3.46Å; H27-A89 PolarHBondContact N-O 2.82Å; H27-A89 PolarHBondContact O-N 2.88Å; A89-F99 HydrophobicContact CB-CB 4.28Å; A89-F99 HydrophobicContact CB-CD1 3.72Å; A89-F99 HydrophobicContact CB-CG 4.48Å; A89-Y101 CarbonylContact C-O 3.58Å; A89-Y101 WeakPolarHBondContact CA-O 3.45Å; A89-Y101 WeakPolarHBondContact CB-O 3.36Å; A89-W102 HydrophobicContact CB-CD2 3.77Å; A89-W102 HydrophobicContact CB-CE3 3.96Å; A89-W102 HydrophobicContact CB-CG 4.16Å; A89-W102 HydrophobicContact CB-CZ2 4.34Å; A89-W102 HydrophobicContact CB-CZ3 4.33Å
90	R	91.4	Very high	84.7	Confident	26 Å²	26	60.6 Å²	60.6	10%	0.098	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	156.4	173.5	68.9	166.9	-173.9	104.8	-8.8	111.5	Y19 F99 A100 Y101	Y19-R90 VanDerWaalsContact CZ-CD 3.46Å; R90-F99 CarbonylContact O-C 3.56Å; R90-A100 PolarHBondContact O-N 3.02Å; R90-Y101 HydrophobicContact CG-CD2 3.99Å; R90-Y101 HydrophobicContact CG-CG 4.34Å; R90-Y101 VanDerWaalsContact CZ-CE2 3.45Å; R90-Y101 PolarHBondContact N-O 3.26Å; R90-Y101 PolarHBondContact O-N 2.98Å
91	S	83.8	Confident	84.7	Confident	20 Å²	20	63 Å²	63	14%	0.14	31%	0.312	C	S	.	.			trans	-67.1	151.6	166	-58.2	0	0	0	0	111.2	Y24 H27 S97	Y24-S91 VanDerWaalsContact CD1-O 3.26Å; Y24-S91 WeakPolarHBondContact CD1-O 3.42Å; H27-S91 PolarHBondContact NE2-OG 2.87Å; S91-S97 CarbonylContact C-O 3.44Å; S91-S97 VanDerWaalsContact CA-O 3.24Å; S91-S97 WeakPolarHBondContact CA-O 3.01Å
92	G	79.6	Confident	84.9	Confident	8 Å²	8	61.8 Å²	61.8	8%	0.082	30%	0.301	C	S	.	.			trans	-89.3	-173.1	172.3	0	0	0	0	0	112.7	G94 S97	G92-G94 PolarHBondContact O-N 2.64Å; G92-G94 VanDerWaalsContact O-N 3.11Å; G92-S97 WeakPolarHBondContact CA-OG 3.42Å; G92-S97 PolarHBondContact N-O 3.42Å; G92-S97 PolarHBondContact N-OG 3.3Å; G92-S97 VanDerWaalsContact N-OG 3.08Å; G92-S97 PolarHBondContact O-OG 3.3Å
93	D	71.4	Confident	85	Confident	126 Å²	126	62.7 Å²	62.7	67%	0.674	31%	0.312	S	S	*	.	S	Bend	trans	-80.9	85.8	175.8	-63.8	-50.9	0	0	0	110	Y24	Y24-D93 VanDerWaalsContact CE1-OD1 3.25Å; Y24-D93 WeakPolarHBondContact CE1-OD1 3.49Å; Y24-D93 VanDerWaalsContact CZ-OD1 3.25Å; Y24-D93 PolarHBondContact OH-OD1 2.78Å; Y24-D93 PolarHBondContact OH-OD2 3.46Å
94	G	65.2	Low	85	Confident	46 Å²	46	70.2 Å²	70.2	47%	0.474	34%	0.344	S	S	.	.	S	Bend	trans	156.3	149.4	173.6	0	0	0	0	0	114.4	G92 F96 S97	G92-G94 PolarHBondContact O-N 2.64Å; G92-G94 VanDerWaalsContact O-N 3.11Å; G94-F96 PolarHBondContact O-N 2.88Å; G94-S97 PolarHBondContact O-N 2.85Å; G94-S97 VanDerWaalsContact O-N 3.09Å; G94-S97 PolarHBondContact O-OG 2.95Å
95	Y	56.8	Low	85	Confident	213 Å²	213	71.5 Å²	71.5	84%	0.835	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-18.8	-172.1	-71.2	-79.6	0	0	0	116	W98	Y95-W98 PolarHBondContact O-NE1 2.87Å
96	F	64.5	Low	84.9	Confident	195 Å²	195	71.4 Å²	71.4	86%	0.855	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.3	6.7	-177.3	-57.5	-72.4	0	0	0	114.4	G94 W98	G94-F96 PolarHBondContact O-N 2.88Å; F96-W98 VanDerWaalsContact C-N 3.31Å; F96-W98 PolarHBondContact O-N 3.16Å
97	S	72.4	Confident	84.9	Confident	33 Å²	33	75 Å²	75	23%	0.231	38%	0.376	C	S	.	.			trans	-93.9	45.1	-171.2	67.1	0	0	0	0	113.8	S91 G92 G94 F99 A100	S91-S97 CarbonylContact C-O 3.44Å; S91-S97 VanDerWaalsContact CA-O 3.24Å; S91-S97 WeakPolarHBondContact CA-O 3.01Å; G92-S97 WeakPolarHBondContact CA-OG 3.42Å; G92-S97 PolarHBondContact N-O 3.42Å; G92-S97 PolarHBondContact N-OG 3.3Å; G92-S97 VanDerWaalsContact N-OG 3.08Å; G92-S97 PolarHBondContact O-OG 3.3Å; G94-S97 PolarHBondContact O-N 2.85Å; G94-S97 VanDerWaalsContact O-N 3.09Å; G94-S97 PolarHBondContact O-OG 2.95Å; S97-F99 PolarHBondContact O-N 3.2Å; S97-A100 PolarHBondContact O-N 2.99Å
98	W	72.1	Confident	84.8	Confident	148 Å²	148	72.9 Å²	72.9	56%	0.561	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	129.4	175.5	-53.5	79.1	0	0	0	109	H27 M42 Y95 F96	H27-W98 AromaticContact CE1-CE3 3.81Å; M42-W98 HydrophobicContact CE-CZ3 4.2Å; Y95-W98 PolarHBondContact O-NE1 2.87Å; F96-W98 VanDerWaalsContact C-N 3.31Å; F96-W98 PolarHBondContact O-N 3.16Å
99	F	82.6	Confident	84.7	Confident	57 Å²	57	75 Å²	75	25%	0.25	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	35.8	-178.3	-47.2	-92.7	0	0	0	115.7	H27 V29 W39 A89 R90 S97 Y101 W102	H27-F99 HydrophobicContact CB-CD1 3.83Å; H27-F99 HydrophobicContact CB-CE1 3.26Å; H27-F99 HydrophobicContact CB-CZ 3.98Å; H27-F99 AromaticContact CG-CE1 3.53Å; H27-F99 AromaticContact CG-CZ 3.81Å; H27-F99 AromaticContact ND1-CE1 3.7Å; H27-F99 AromaticContact ND1-CZ 3.45Å; H27-F99 WeakPolarHBondContact ND1-CZ 3.21Å; V29-F99 HydrophobicContact CG2-CD1 4.1Å; V29-F99 HydrophobicContact CG2-CE1 3.6Å; W39-F99 AromaticContact CD1-CE1 3.73Å; W39-F99 AromaticContact CD1-CZ 3.41Å; W39-F99 VanDerWaalsContact CD1-CZ 3.41Å; W39-F99 HydrophobicContact CG-CZ 4.28Å; W39-F99 AromaticContact NE1-CZ 3.78Å; A89-F99 HydrophobicContact CB-CB 4.28Å; A89-F99 HydrophobicContact CB-CD1 3.72Å; A89-F99 HydrophobicContact CB-CG 4.48Å; R90-F99 CarbonylContact O-C 3.56Å; S97-F99 PolarHBondContact O-N 3.2Å; F99-Y101 VanDerWaalsContact C-N 3.31Å; F99-Y101 PolarHBondContact O-N 3.08Å; F99-W102 HydrophobicContact CB-CZ2 3.62Å; F99-W102 HydrophobicContact CD1-CH2 4.06Å; F99-W102 AromaticContact CD1-CZ2 3.86Å; F99-W102 HydrophobicContact CD1-CZ2 3.86Å; F99-W102 HydrophobicContact CG-CZ2 4.01Å; F99-W102 PolarHBondContact O-NE1 3.48Å
100	A	86.2	Confident	84.5	Confident	52 Å²	52	75.2 Å²	75.2	43%	0.43	38%	0.381	S	S	.	.			trans	-64.3	-32.2	179.2	0	0	0	0	0	113.9	R90 S97	R90-A100 PolarHBondContact O-N 3.02Å; S97-A100 PolarHBondContact O-N 2.99Å
101	Y	91.1	Very high	84.3	Confident	122 Å²	122	76.2 Å²	76.2	48%	0.478	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	132.4	-177.1	-56.3	-87.5	0	0	0	110.7	A89 R90 F99	A89-Y101 CarbonylContact C-O 3.58Å; A89-Y101 WeakPolarHBondContact CA-O 3.45Å; A89-Y101 WeakPolarHBondContact CB-O 3.36Å; R90-Y101 HydrophobicContact CG-CD2 3.99Å; R90-Y101 HydrophobicContact CG-CG 4.34Å; R90-Y101 VanDerWaalsContact CZ-CE2 3.45Å; R90-Y101 PolarHBondContact N-O 3.26Å; R90-Y101 PolarHBondContact O-N 2.98Å; F99-Y101 VanDerWaalsContact C-N 3.31Å; F99-Y101 PolarHBondContact O-N 3.08Å
102	W	94.9	Very high	83.7	Confident	109 Å²	109	82.2 Å²	82.2	41%	0.413	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	142.3	-175.9	-68.1	74.3	0	0	0	111.3	V29 L37 Y87 A89 F99	V29-W102 HydrophobicContact CB-CH2 4.08Å; V29-W102 HydrophobicContact CB-CZ3 3.83Å; V29-W102 HydrophobicContact CG1-CH2 4.04Å; V29-W102 HydrophobicContact CG1-CZ3 4.06Å; V29-W102 HydrophobicContact CG2-CH2 3.75Å; V29-W102 HydrophobicContact CG2-CZ3 3.88Å; L37-W102 HydrophobicContact CD1-CH2 3.88Å; L37-W102 HydrophobicContact CD1-CZ2 4.36Å; Y87-W102 HydrophobicContact CD1-CE3 4.46Å; Y87-W102 HydrophobicContact CD2-CZ3 4.49Å; Y87-W102 HydrophobicContact CG-CE3 4.06Å; Y87-W102 HydrophobicContact CG-CZ3 4.21Å; A89-W102 HydrophobicContact CB-CD2 3.77Å; A89-W102 HydrophobicContact CB-CE3 3.96Å; A89-W102 HydrophobicContact CB-CG 4.16Å; A89-W102 HydrophobicContact CB-CZ2 4.34Å; A89-W102 HydrophobicContact CB-CZ3 4.33Å; F99-W102 HydrophobicContact CB-CZ2 3.62Å; F99-W102 HydrophobicContact CD1-CH2 4.06Å; F99-W102 AromaticContact CD1-CZ2 3.86Å; F99-W102 HydrophobicContact CD1-CZ2 3.86Å; F99-W102 HydrophobicContact CG-CZ2 4.01Å; F99-W102 PolarHBondContact O-NE1 3.48Å
103	G	95.1	Very high	83.9	Confident	27 Å²	27	85.9 Å²	85.9	28%	0.278	46%	0.461	S	S	.	.			trans	-72.2	164.4	164.3	0	0	0	0	0	111.6	C88 G105	C88-G103 PolarHBondContact O-N 2.61Å; G103-G105 PolarHBondContact O-N 3.47Å; G103-G105 VanDerWaalsContact O-N 3.07Å
104	Q	95	Very high	84.6	Confident	191 Å²	191	83.8 Å²	83.8	89%	0.893	45%	0.449	S	S	*	.			trans	-62.9	-15.3	-179.9	-67.4	-66	-41.6	0	0	114.3
105	G	95.8	Very high	85.6	Confident	28 Å²	28	85.9 Å²	85.9	29%	0.289	45%	0.448	S	S	.	.			trans	84.5	151.1	-176.6	0	0	0	0	0	113.1	Y86 G103	Y86-G105 CarbonylContact O-C 3.41Å; Y86-G105 VanDerWaalsContact O-CA 3.28Å; Y86-G105 WeakPolarHBondContact O-CA 3.12Å; G103-G105 PolarHBondContact O-N 3.47Å; G103-G105 VanDerWaalsContact O-N 3.07Å
106	T	97.1	Very high	87.3	Confident	35 Å²	35	78.4 Å²	78.4	22%	0.215	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	114	175	-62.6	0	0	0	0	108.8	Q2 I12 Y86 V108	Q2-T106 HydrophobicContact CG-CG2 4.22Å; I12-T106 HydrophobicContact CG2-CG2 4.4Å; Y86-T106 PolarHBondContact N-O 2.91Å; Y86-T106 PolarHBondContact O-N 3.43Å; T106-V108 HydrophobicContact CG2-CG2 4.29Å; T106-V108 PolarHBondContact O-N 2.8Å
107	L	96.9	Very high	88.8	Confident	79 Å²	79	71.1 Å²	71.1	41%	0.414	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	121.2	168.5	177.1	63.9	0	0	0	109.2	P1 Q2 V85	P1-L107 CarbonylContact C-O 3.6Å; P1-L107 WeakPolarHBondContact CA-O 3.3Å; P1-L107 HydrophobicContact CB-CB 4.26Å; P1-L107 HydrophobicContact CB-CD2 4.41Å; Q2-L107 PolarHBondContact N-O 3.25Å; V85-L107 HydrophobicContact CG2-CD1 4.12Å
108	V	95.8	Very high	89.8	Confident	1 Å²	1	73.7 Å²	73.7	1%	0.006	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	126.7	168.2	176.9	0	0	0	0	107.9	Q2 V4 V10 I12 S83 A84 Y86 T106 V110	Q2-V108 HydrophobicContact CB-CG2 4.43Å; Q2-V108 WeakPolarHBondContact O-CA 3.36Å; V4-V108 HydrophobicContact CG2-CG1 3.85Å; V10-V108 HydrophobicContact CG1-CG1 4.38Å; I12-V108 HydrophobicContact CD1-CG2 3.87Å; I12-V108 HydrophobicContact CG1-CG2 4.17Å; S83-V108 CarbonylContact C-O 3.6Å; S83-V108 VanDerWaalsContact CA-O 3.28Å; S83-V108 WeakPolarHBondContact CA-O 3.29Å; A84-V108 PolarHBondContact N-O 2.64Å; A84-V108 PolarHBondContact O-N 2.83Å; Y86-V108 HydrophobicContact CD2-CB 3.91Å; Y86-V108 HydrophobicContact CD2-CG2 3.75Å; Y86-V108 HydrophobicContact CE2-CB 3.84Å; Y86-V108 HydrophobicContact CE2-CG2 4.1Å; T106-V108 HydrophobicContact CG2-CG2 4.29Å; T106-V108 PolarHBondContact O-N 2.8Å; V108-V110 HydrophobicContact CG1-CG2 4.41Å
109	T	95.3	Very high	91.1	Very high	58 Å²	58	68.4 Å²	68.4	36%	0.356	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	122.4	174.7	-56.1	0	0	0	0	108.2	Q2 L3 V4	Q2-T109 PolarHBondContact O-N 3.46Å; L3-T109 WeakPolarHBondContact CA-O 3.37Å; L3-T109 HydrophobicContact CD1-CG2 4.12Å; V4-T109 PolarHBondContact N-O 3.43Å
110	V	91.7	Very high	91.8	Very high	6 Å²	6	69.2 Å²	69.2	4%	0.036	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	120.6	174.4	-172.6	0	0	0	0	107.5	V4 P6 P78 T79 S83 V108	V4-V110 HydrophobicContact CB-CG2 4.47Å; V4-V110 WeakPolarHBondContact O-CA 3.47Å; P6-V110 HydrophobicContact CB-CG1 4.31Å; P78-V110 HydrophobicContact CB-CG2 3.91Å; P78-V110 HydrophobicContact CG-CG2 4.13Å; T79-V110 WeakPolarHBondContact O-CB 3.47Å; T79-V110 WeakPolarHBondContact O-CG2 3.42Å; S83-V110 PolarHBondContact OG-N 2.63Å; V108-V110 HydrophobicContact CG1-CG2 4.41Å
111	S	86.7	Confident	92.2	Very high	47 Å²	47	70.7 Å²	70.7	33%	0.329	41%	0.409	S	S	.	.			trans	-64.5	149.6	176.9	65.2	0	0	0	0	110.3	V4 P6	V4-S111 PolarHBondContact O-N 2.98Å; P6-S111 WeakPolarHBondContact CD-O 3.14Å; P6-S111 VanDerWaalsContact CD-OG 3.28Å; P6-S111 WeakPolarHBondContact CD-OG 3.41Å; P6-S111 VanDerWaalsContact CG-O 3.25Å; P6-S111 WeakPolarHBondContact CG-O 3.48Å
112	A	71.6	Confident	92.3	Very high	145 Å²	145	66 Å²	66	100%	1.198	40%	0.402	S	S	*	.			trans	-69.3	0	168.4	0	0	0	0	0	110.9

Retrieved 112 of 112 residues in 34.2 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).