X5J4I9_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4I9, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 96 aa.

						>X5J4I9_MOUSE|X5J4I9
GPDLVKPSQSLSLTCTLTGYSITSGYSWHWIRQFPGNKLEWMGYIHYSGSTNYNPSLKSRISITRDTSKNQFFLQLNSVTTEDTATYYCARHYDYY
					

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	G	46.6	Very low	74.8	Confident	114 Å²	114	99.5 Å²	99.5	100%	1.175	61%	0.608	S	S	*	*				0	159.7	0	0	0	0	0	0	108.3	D3	G1-D3 PolarHBondContact O-N 3.24Å
2	P	54.6	Low	76.4	Confident	86 Å²	86	96.7 Å²	96.7	56%	0.558	60%	0.596	S	S	*	*			trans	-62.7	135.7	171	9.9	-1.6	0	0	0	109.3	L11 L13	P2-L11 HydrophobicContact CB-CD1 4.26Å; P2-L11 HydrophobicContact CG-CD1 4.47Å; P2-L13 HydrophobicContact CB-CD2 4.1Å; P2-L13 HydrophobicContact CG-CD2 3.11Å
3	D	68.1	Low	77.9	Confident	148 Å²	148	90.2 Å²	90.2	79%	0.791	56%	0.555	S	S	*	*			trans	-63.2	161.1	-178.1	-85.4	-45.6	0	0	0	112.9	G1 V5	G1-D3 PolarHBondContact O-N 3.24Å; D3-V5 WeakPolarHBondContact O-CG2 3.43Å; D3-V5 PolarHBondContact O-N 3.19Å
4	L	68.1	Low	79.2	Confident	178 Å²	178	89.1 Å²	89.1	93%	0.932	55%	0.549	S	S	*	.			trans	-42.7	110.3	172.4	-85.9	125.3	0	0	0	111.9
5	V	76.6	Confident	80.2	Confident	51 Å²	51	84.1 Å²	84.1	31%	0.309	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-89.4	134.8	173	-179.3	0	0	0	0	109	D3 Q9 L11 V79	D3-V5 WeakPolarHBondContact O-CG2 3.43Å; D3-V5 PolarHBondContact O-N 3.19Å; V5-Q9 HydrophobicContact CG1-CB 3.64Å; V5-L11 HydrophobicContact CG2-CB 4.35Å; V5-L11 HydrophobicContact CG2-CD1 3.6Å; V5-V79 HydrophobicContact CG1-CG2 4.09Å
6	K	77.8	Confident	81.1	Confident	148 Å²	148	83.6 Å²	83.6	64%	0.643	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-73.4	152.1	176.6	-65.7	-178.5	-179.6	179	0	110.4	Q9	K6-Q9 HydrophobicContact CB-CG 4.24Å; K6-Q9 VanDerWaalsContact N-OE1 3.09Å; K6-Q9 WeakPolarHBondContact O-CB 3.32Å; K6-Q9 PolarHBondContact O-N 3.34Å
7	P	78.9	Confident	81.7	Confident	88 Å²	88	80.1 Å²	80.1	57%	0.571	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	148.1	172.3	-25.5	34.3	0	0	0	112.2	Q9 V79	P7-Q9 PolarHBondContact O-N 3.11Å; P7-V79 CarbonylContact C-O 3.51Å; P7-V79 WeakPolarHBondContact CA-O 3.48Å
8	S	81.1	Confident	82.2	Confident	104 Å²	104	82.4 Å²	82.4	73%	0.727	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	-1.4	-178.8	-49.1	0	0	0	0	116.2	V79	S8-V79 PolarHBondContact N-O 2.86Å
9	Q	88.9	Confident	82.4	Confident	98 Å²	98	82.2 Å²	82.2	46%	0.458	52%	0.522	S	S	.	.	S	Bend	trans	-80.5	-178.5	168.2	-63.8	-174.4	-36.9	0	0	110.5	V5 K6 P7 S78 V79	V5-Q9 HydrophobicContact CG1-CB 3.64Å; K6-Q9 HydrophobicContact CB-CG 4.24Å; K6-Q9 VanDerWaalsContact N-OE1 3.09Å; K6-Q9 WeakPolarHBondContact O-CB 3.32Å; K6-Q9 PolarHBondContact O-N 3.34Å; P7-Q9 PolarHBondContact O-N 3.11Å; Q9-S78 PolarHBondContact O-N 3.37Å; Q9-S78 VanDerWaalsContact O-N 3.17Å; Q9-V79 WeakPolarHBondContact O-CG2 3.36Å; Q9-V79 PolarHBondContact O-N 2.82Å
10	S	90.7	Very high	82.5	Confident	62 Å²	62	84.1 Å²	84.1	43%	0.434	52%	0.519	S	S	.	.			trans	-111.2	134.2	170.6	-53.5	0	0	0	0	110.3	L76 N77	S10-L76 CarbonylContact C-O 3.59Å; S10-L76 WeakPolarHBondContact CA-O 3.37Å; S10-L76 WeakPolarHBondContact CB-O 3.4Å; S10-N77 WeakPolarHBondContact CB-OD1 3.29Å; S10-N77 PolarHBondContact OG-OD1 3.34Å
11	L	91.8	Very high	82.8	Confident	17 Å²	17	82.4 Å²	82.4	9%	0.089	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	128.4	174.2	172.1	68.5	0	0	0	109.1	P2 V5 L13 Q75 L76 V79 Y87	P2-L11 HydrophobicContact CB-CD1 4.26Å; P2-L11 HydrophobicContact CG-CD1 4.47Å; V5-L11 HydrophobicContact CG2-CB 4.35Å; V5-L11 HydrophobicContact CG2-CD1 3.6Å; L11-L13 HydrophobicContact CD1-CD2 3.76Å; L11-L13 HydrophobicContact CD1-CG 4.45Å; L11-L13 HydrophobicContact CD2-CD1 4.36Å; L11-L13 HydrophobicContact CD2-CD2 4.1Å; L11-L13 HydrophobicContact CD2-CG 4.21Å; L11-L13 HydrophobicContact CG-CD2 3.93Å; L11-L13 HydrophobicContact CG-CG 4.1Å; L11-Q75 CarbonylContact O-C 3.56Å; L11-Q75 WeakPolarHBondContact O-CA 3.5Å; L11-Q75 PolarHBondContact O-NE2 2.91Å; L11-L76 HydrophobicContact CB-CB 4.39Å; L11-L76 PolarHBondContact N-O 2.77Å; L11-L76 PolarHBondContact O-N 2.77Å; L11-V79 HydrophobicContact CB-CG2 3.85Å; L11-Y87 HydrophobicContact CD2-CE2 4.11Å
12	S	93.9	Very high	84.9	Confident	66 Å²	66	77 Å²	77	46%	0.462	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	123.1	172.6	-156.7	0	0	0	0	109.5	L74 Q75	S12-L74 CarbonylContact C-O 3.46Å; S12-L74 WeakPolarHBondContact CA-O 3.3Å; S12-Q75 VanDerWaalsContact CB-OE1 3.29Å; S12-Q75 PolarHBondContact OG-OE1 2.81Å
13	L	95.5	Very high	86.6	Confident	12 Å²	12	76 Å²	76	6%	0.063	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	143.7	176.9	-54.2	-178.8	0	0	0	110	P2 L11 W30 F73 L74 Y87	P2-L13 HydrophobicContact CB-CD2 4.1Å; P2-L13 HydrophobicContact CG-CD2 3.11Å; L11-L13 HydrophobicContact CD1-CD2 3.76Å; L11-L13 HydrophobicContact CD1-CG 4.45Å; L11-L13 HydrophobicContact CD2-CD1 4.36Å; L11-L13 HydrophobicContact CD2-CD2 4.1Å; L11-L13 HydrophobicContact CD2-CG 4.21Å; L11-L13 HydrophobicContact CG-CD2 3.93Å; L11-L13 HydrophobicContact CG-CG 4.1Å; L13-W30 HydrophobicContact CB-CH2 3.52Å; L13-W30 HydrophobicContact CB-CZ2 4.05Å; L13-W30 HydrophobicContact CB-CZ3 3.97Å; L13-W30 HydrophobicContact CD1-CE3 4.27Å; L13-W30 HydrophobicContact CD1-CH2 4.22Å; L13-W30 HydrophobicContact CD1-CZ3 3.78Å; L13-F73 CarbonylContact O-C 3.58Å; L13-F73 WeakPolarHBondContact O-CA 3.24Å; L13-L74 HydrophobicContact CB-CB 4.23Å; L13-L74 HydrophobicContact CD1-CD2 3.91Å; L13-L74 PolarHBondContact N-O 2.84Å; L13-L74 PolarHBondContact O-N 2.88Å; L13-Y87 HydrophobicContact CD1-CD1 3.62Å; L13-Y87 HydrophobicContact CD1-CD2 4.17Å; L13-Y87 HydrophobicContact CD1-CE1 4.44Å; L13-Y87 HydrophobicContact CD1-CG 3.45Å; L13-Y87 VanDerWaalsContact CD1-CG 3.45Å
14	T	95.9	Very high	87.5	Confident	76 Å²	76	71.1 Å²	71.1	47%	0.466	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	130.5	175.6	-55.3	0	0	0	0	109.2	Q71 F73	T14-Q71 HydrophobicContact CG2-CB 4.22Å; T14-Q71 HydrophobicContact CG2-CG 3.99Å; T14-F73 HydrophobicContact CG2-CD1 3.87Å; T14-F73 HydrophobicContact CG2-CE1 3.48Å; T14-F73 VanDerWaalsContact CG2-CE1 3.48Å; T14-F73 HydrophobicContact CG2-CZ 4.28Å; T14-F73 VanDerWaalsContact OG1-CD1 3.29Å; T14-F73 WeakPolarHBondContact OG1-CD1 3.19Å; T14-F73 WeakPolarHBondContact OG1-CE1 3.34Å
15	C	94.4	Very high	88.5	Confident	13 Å²	13	63.7 Å²	63.7	9%	0.088	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	119.7	164.9	-176.6	0	0	0	0	109.3	W30 Q71 F72 C89	C15-W30 HydrophobicContact CB-CH2 3.99Å; C15-W30 HydrophobicContact CB-CZ2 4.04Å; C15-Q71 WeakPolarHBondContact O-CA 3.24Å; C15-F72 HydrophobicContact CB-CD1 3.74Å; C15-F72 HydrophobicContact CB-CE1 3.36Å; C15-F72 HydrophobicContact CB-CZ 3.88Å; C15-F72 PolarHBondContact N-O 3.44Å; C15-F72 PolarHBondContact O-N 3.13Å; C15-F72 WeakPolarHBondContact SG-CE1 3.37Å; C15-C89 HydrophobicContact CB-CB 3.47Å; C15-C89 VanDerWaalsContact CB-CB 3.47Å; C15-C89 WeakPolarHBondContact CB-SG 3.21Å; C15-C89 WeakPolarHBondContact SG-CB 3.36Å; C15-C89 CovalentContact SG-SG 2.05Å; C15-C89 PolarHBondContact SG-SG 2.85Å
16	T	94.9	Very high	89.2	Confident	77 Å²	77	63.4 Å²	63.4	47%	0.472	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	125.6	178.5	-56	0	0	0	0	109	Q71	T16-Q71 HydrophobicContact CG2-CG 4.08Å; T16-Q71 WeakPolarHBondContact OG1-CG 3.17Å; T16-Q71 PolarHBondContact OG1-NE2 2.93Å
17	L	91.4	Very high	89.9	Confident	23 Å²	23	56.4 Å²	56.4	12%	0.12	35%	0.354	C	S	.	.			trans	-90.8	134.9	-178.6	-56	176.2	0	0	0	109.9	I22 W28 N70 F72	L17-I22 HydrophobicContact CD1-CB 3.74Å; L17-I22 HydrophobicContact CD1-CD1 4.28Å; L17-I22 HydrophobicContact CD1-CG1 3.89Å; L17-W28 HydrophobicContact CD1-CD2 3.79Å; L17-W28 HydrophobicContact CD1-CE3 3.84Å; L17-W28 HydrophobicContact CD1-CH2 3.46Å; L17-W28 VanDerWaalsContact CD1-CH2 3.46Å; L17-W28 HydrophobicContact CD1-CZ2 3.42Å; L17-W28 VanDerWaalsContact CD1-CZ2 3.42Å; L17-W28 HydrophobicContact CD1-CZ3 3.67Å; L17-W28 HydrophobicContact CD2-CD2 4.38Å; L17-W28 HydrophobicContact CD2-CE3 3.62Å; L17-W28 HydrophobicContact CD2-CH2 3.87Å; L17-W28 HydrophobicContact CD2-CZ3 3.31Å; L17-W28 HydrophobicContact CG-CE3 4.37Å; L17-W28 HydrophobicContact CG-CH2 4.21Å; L17-W28 HydrophobicContact CG-CZ3 4.09Å; L17-N70 WeakPolarHBondContact CB-ND2 3.31Å; L17-N70 PolarHBondContact N-O 3.26Å; L17-N70 PolarHBondContact O-ND2 3.29Å; L17-F72 HydrophobicContact CD2-CD1 4.44Å; L17-F72 HydrophobicContact CD2-CE1 4.15Å
18	T	90.2	Very high	90.6	Very high	123 Å²	123	52.6 Å²	52.6	76%	0.755	33%	0.329	S	S	*	.			trans	-120.9	139.4	175.9	53.5	0	0	0	0	109.2	Y20	T18-Y20 PolarHBondContact O-N 3.43Å
19	G	86.9	Confident	91.4	Very high	78 Å²	78	49 Å²	49	80%	0.804	30%	0.301	S	S	*	.	S	Bend	trans	76.8	-6.7	179.7	0	0	0	0	0	116.6
20	Y	82.9	Confident	91.8	Very high	120 Å²	120	44.7 Å²	44.7	47%	0.471	28%	0.28	S	S	.	.	S	Bend	trans	-144.8	146.7	179.2	-61.9	-84.4	0	0	0	111.2	T18 N70	T18-Y20 PolarHBondContact O-N 3.43Å; Y20-N70 PolarHBondContact O-ND2 2.56Å; Y20-N70 PolarHBondContact O-OD1 2.85Å
21	S	89.1	Confident	92.1	Very high	49 Å²	49	43.7 Å²	43.7	34%	0.343	27%	0.269	S	S	.	.			trans	-78.4	141.8	171.8	177.9	0	0	0	0	111.2	T23 S24 N70	S21-T23 PolarHBondContact O-N 3.1Å; S21-T23 PolarHBondContact OG-N 2.87Å; S21-T23 VanDerWaalsContact OG-N 3.16Å; S21-T23 PolarHBondContact OG-OG1 2.77Å; S21-S24 VanDerWaalsContact O-CB 3.22Å; S21-S24 WeakPolarHBondContact O-CB 3.49Å; S21-S24 PolarHBondContact O-N 2.93Å; S21-S24 PolarHBondContact O-OG 2.69Å; S21-N70 WeakPolarHBondContact CA-OD1 3.44Å
22	I	90.4	Very high	92.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-18.8	170.9	-163.6	161.6	0	0	0	113.4	L17 W28 R65 T67 N70 Q71 F72	L17-I22 HydrophobicContact CD1-CB 3.74Å; L17-I22 HydrophobicContact CD1-CD1 4.28Å; L17-I22 HydrophobicContact CD1-CG1 3.89Å; I22-W28 HydrophobicContact CG1-CG 4.38Å; I22-W28 PolarHBondContact O-NE1 2.78Å; I22-R65 HydrophobicContact CD1-CB 3.52Å; I22-R65 HydrophobicContact CD1-CG 4.44Å; I22-T67 HydrophobicContact CG2-CG2 3.76Å; I22-N70 PolarHBondContact N-OD1 2.63Å; I22-Q71 VanDerWaalsContact CD1-O 3.25Å; I22-Q71 WeakPolarHBondContact CD1-O 3.43Å; I22-F72 HydrophobicContact CD1-CB 3.62Å; I22-F72 HydrophobicContact CD1-CG 4.49Å
23	T	91.1	Very high	92.5	Very high	66 Å²	66	42.4 Å²	42.4	41%	0.405	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	7.5	177.8	61.6	0	0	0	0	113.7	S21 G25 T67	S21-T23 PolarHBondContact O-N 3.1Å; S21-T23 PolarHBondContact OG-N 2.87Å; S21-T23 VanDerWaalsContact OG-N 3.16Å; S21-T23 PolarHBondContact OG-OG1 2.77Å; T23-G25 VanDerWaalsContact C-N 3.31Å; T23-G25 PolarHBondContact O-N 3.03Å; T23-T67 HydrophobicContact CG2-CG2 3.76Å
24	S	87.1	Confident	92.5	Very high	44 Å²	44	43.7 Å²	43.7	31%	0.308	26%	0.26	S	S	.	.	S	Bend	trans	-82.6	42.1	-168	59.7	0	0	0	0	116.7	S21 Y26	S21-S24 VanDerWaalsContact O-CB 3.22Å; S21-S24 WeakPolarHBondContact O-CB 3.49Å; S21-S24 PolarHBondContact O-N 2.93Å; S21-S24 PolarHBondContact O-OG 2.69Å; S24-Y26 VanDerWaalsContact C-N 3.27Å; S24-Y26 WeakPolarHBondContact O-CD2 3.31Å; S24-Y26 WeakPolarHBondContact O-CE2 3.46Å; S24-Y26 PolarHBondContact O-N 2.66Å; S24-Y26 VanDerWaalsContact OG-CD2 3.24Å; S24-Y26 WeakPolarHBondContact OG-CD2 3.48Å; S24-Y26 WeakPolarHBondContact OG-CE2 3.08Å
25	G	88.3	Confident	92.3	Very high	22 Å²	22	45.5 Å²	45.5	23%	0.227	27%	0.273	C	S	.	.	S	Bend	trans	75	13.5	175.1	0	0	0	0	0	114.8	T23 Y47	T23-G25 VanDerWaalsContact C-N 3.31Å; T23-G25 PolarHBondContact O-N 3.03Å; G25-Y47 VanDerWaalsContact C-CD1 3.47Å
26	Y	91	Very high	92.3	Very high	46 Å²	46	48.4 Å²	48.4	18%	0.18	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	160.5	178.5	-60.3	-86.2	0	0	0	111.4	S24 W28 Y47 R91 H92 Y93	S24-Y26 VanDerWaalsContact C-N 3.27Å; S24-Y26 WeakPolarHBondContact O-CD2 3.31Å; S24-Y26 WeakPolarHBondContact O-CE2 3.46Å; S24-Y26 PolarHBondContact O-N 2.66Å; S24-Y26 VanDerWaalsContact OG-CD2 3.24Å; S24-Y26 WeakPolarHBondContact OG-CD2 3.48Å; S24-Y26 WeakPolarHBondContact OG-CE2 3.08Å; Y26-W28 HydrophobicContact CD2-CZ2 4.43Å; Y26-Y47 WeakPolarHBondContact O-CB 3.43Å; Y26-Y47 PolarHBondContact O-N 2.7Å; Y26-R91 HydrophobicContact CD1-CG 3.61Å; Y26-R91 HydrophobicContact CE1-CG 4.35Å; Y26-R91 HydrophobicContact CG-CG 3.76Å; Y26-H92 WeakPolarHBondContact CA-O 3.41Å; Y26-H92 WeakPolarHBondContact CB-O 3.4Å; Y26-Y93 AromaticContact CD1-CD2 3.74Å; Y26-Y93 HydrophobicContact CD1-CD2 3.74Å; Y26-Y93 HydrophobicContact CD1-CG 4.35Å; Y26-Y93 AromaticContact CE1-CD2 3.39Å; Y26-Y93 HydrophobicContact CE1-CD2 3.39Å; Y26-Y93 HydrophobicContact CE1-CE2 4.35Å; Y26-Y93 HydrophobicContact CE1-CG 4.07Å; Y26-Y93 AromaticContact CZ-CD2 3.94Å
27	S	93.3	Very high	92.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	147.7	159.6	44.3	0	0	0	0	111.3	H29 H92 D94	S27-H29 WeakPolarHBondContact CB-NE2 3.33Å; S27-H29 PolarHBondContact OG-NE2 3.46Å; S27-H92 PolarHBondContact N-O 3.41Å; S27-H92 PolarHBondContact O-N 2.95Å; S27-H92 PolarHBondContact OG-O 3.46Å; S27-D94 WeakPolarHBondContact CB-OD2 3.39Å; S27-D94 PolarHBondContact OG-OD1 3.45Å; S27-D94 VanDerWaalsContact OG-OD1 3.08Å; S27-D94 PolarHBondContact OG-OD2 3.48Å
28	W	94.8	Very high	92.2	Very high	9 Å²	9	56.4 Å²	56.4	3%	0.034	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	118.3	-178.7	-53	96.8	0	0	0	109.1	L17 I22 Y26 Y44 I45 F72 R91	L17-W28 HydrophobicContact CD1-CD2 3.79Å; L17-W28 HydrophobicContact CD1-CE3 3.84Å; L17-W28 HydrophobicContact CD1-CH2 3.46Å; L17-W28 VanDerWaalsContact CD1-CH2 3.46Å; L17-W28 HydrophobicContact CD1-CZ2 3.42Å; L17-W28 VanDerWaalsContact CD1-CZ2 3.42Å; L17-W28 HydrophobicContact CD1-CZ3 3.67Å; L17-W28 HydrophobicContact CD2-CD2 4.38Å; L17-W28 HydrophobicContact CD2-CE3 3.62Å; L17-W28 HydrophobicContact CD2-CH2 3.87Å; L17-W28 HydrophobicContact CD2-CZ3 3.31Å; L17-W28 HydrophobicContact CG-CE3 4.37Å; L17-W28 HydrophobicContact CG-CH2 4.21Å; L17-W28 HydrophobicContact CG-CZ3 4.09Å; I22-W28 HydrophobicContact CG1-CG 4.38Å; I22-W28 PolarHBondContact O-NE1 2.78Å; Y26-W28 HydrophobicContact CD2-CZ2 4.43Å; W28-Y44 CarbonylContact O-C 3.55Å; W28-Y44 WeakPolarHBondContact O-CA 2.94Å; W28-Y44 WeakPolarHBondContact O-CB 3.34Å; W28-I45 HydrophobicContact CB-CG2 4.16Å; W28-I45 PolarHBondContact N-O 2.78Å; W28-I45 PolarHBondContact O-N 2.88Å; W28-F72 HydrophobicContact CB-CD1 4.16Å; W28-F72 HydrophobicContact CB-CD2 4.05Å; W28-F72 HydrophobicContact CB-CE1 3.93Å; W28-F72 HydrophobicContact CB-CE2 3.84Å; W28-F72 HydrophobicContact CB-CG 4.2Å; W28-F72 HydrophobicContact CB-CZ 3.75Å; W28-F72 HydrophobicContact CE3-CE1 4.34Å; W28-F72 HydrophobicContact CG-CE1 4.45Å; W28-R91 HydrophobicContact CE3-CB 3.92Å; W28-R91 HydrophobicContact CE3-CG 3.98Å; W28-R91 HydrophobicContact CH2-CB 4.38Å; W28-R91 VanDerWaalsContact CH2-CD 3.44Å; W28-R91 HydrophobicContact CH2-CG 3.8Å; W28-R91 HydrophobicContact CZ2-CG 4.47Å; W28-R91 HydrophobicContact CZ3-CB 3.61Å; W28-R91 HydrophobicContact CZ3-CG 3.51Å
29	H	96.4	Very high	92.5	Very high	29 Å²	29	55.7 Å²	55.7	13%	0.134	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	145.2	-169.8	-66.3	-112.5	0	0	0	110.9	S27 W41 G43 Y44 C89 A90	S27-H29 WeakPolarHBondContact CB-NE2 3.33Å; S27-H29 PolarHBondContact OG-NE2 3.46Å; H29-W41 AromaticContact ND1-CD1 3.73Å; H29-W41 AromaticContact ND1-NE1 3.21Å; H29-W41 PolarHBondContact ND1-NE1 2.99Å; H29-G43 WeakPolarHBondContact CA-O 3.18Å; H29-Y44 AromaticContact CE1-CD1 3.66Å; H29-Y44 AromaticContact CE1-CG 3.84Å; H29-C89 WeakPolarHBondContact O-CA 3.45Å; H29-A90 HydrophobicContact CB-CB 4.28Å; H29-A90 PolarHBondContact N-O 3.33Å; H29-A90 PolarHBondContact O-N 3.17Å
30	W	97.5	Very high	93	Very high	7 Å²	7	54.1 Å²	54.1	3%	0.027	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	128.6	163.2	-76.7	105.1	0	0	0	109.8	L13 C15 M42 G43 F72 F73 L74	L13-W30 HydrophobicContact CB-CH2 3.52Å; L13-W30 HydrophobicContact CB-CZ2 4.05Å; L13-W30 HydrophobicContact CB-CZ3 3.97Å; L13-W30 HydrophobicContact CD1-CE3 4.27Å; L13-W30 HydrophobicContact CD1-CH2 4.22Å; L13-W30 HydrophobicContact CD1-CZ3 3.78Å; C15-W30 HydrophobicContact CB-CH2 3.99Å; C15-W30 HydrophobicContact CB-CZ2 4.04Å; W30-M42 HydrophobicContact CB-CB 4.15Å; W30-M42 HydrophobicContact CB-SD 4.49Å; W30-M42 WeakPolarHBondContact O-CB 3.1Å; W30-M42 PolarHBondContact O-N 3.05Å; W30-G43 PolarHBondContact N-O 2.86Å; W30-F72 AromaticContact CD1-CD2 3.92Å; W30-F72 AromaticContact CD1-CE2 3.57Å; W30-F72 HydrophobicContact CD2-CE2 4.14Å; W30-F72 AromaticContact CE2-CD2 3.89Å; W30-F72 AromaticContact CE2-CE2 3.54Å; W30-F72 HydrophobicContact CG-CE2 4.16Å; W30-F72 HydrophobicContact CZ2-CD2 4.3Å; W30-F72 HydrophobicContact CZ2-CE2 4.1Å; W30-F72 AromaticContact NE1-CD2 3.24Å; W30-F72 AromaticContact NE1-CE2 3.16Å; W30-F73 PolarHBondContact NE1-O 2.83Å; W30-L74 HydrophobicContact CB-CD2 4.42Å; W30-L74 HydrophobicContact CD2-CB 3.73Å; W30-L74 HydrophobicContact CD2-CD2 4.16Å; W30-L74 HydrophobicContact CD2-CG 4.47Å; W30-L74 VanDerWaalsContact CE2-CB 3.48Å; W30-L74 HydrophobicContact CE3-CB 4.38Å; W30-L74 HydrophobicContact CE3-CD2 4.31Å; W30-L74 HydrophobicContact CG-CB 3.93Å; W30-L74 HydrophobicContact CG-CD1 4.28Å; W30-L74 HydrophobicContact CG-CD2 4.22Å; W30-L74 HydrophobicContact CG-CG 4.38Å; W30-L74 HydrophobicContact CZ2-CB 3.95Å
31	I	97.3	Very high	93.7	Very high	41 Å²	41	52.4 Å²	52.4	21%	0.21	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	137.3	178.4	-55.7	170.5	0	0	0	107	L39 E40 Y88 A90	I31-L39 HydrophobicContact CG2-CB 4.32Å; I31-L39 HydrophobicContact CG2-CD2 4.01Å; I31-E40 WeakPolarHBondContact CA-O 3.48Å; I31-Y88 PolarHBondContact N-O 3.19Å; I31-Y88 PolarHBondContact O-N 2.72Å; I31-A90 HydrophobicContact CD1-CB 3.82Å
32	R	96.2	Very high	94.1	Very high	13 Å²	13	50 Å²	50	5%	0.049	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	141.3	170.2	66.4	-178.2	178.8	171.8	8.4	111	F34 L39 E40 M42 D83 A85 T86 Y87	R32-F34 HydrophobicContact CG-CE2 4.24Å; R32-F34 HydrophobicContact CG-CZ 4.14Å; R32-L39 WeakPolarHBondContact O-CA 3.41Å; R32-E40 HydrophobicContact CG-CB 4.07Å; R32-E40 IonicContact CZ-OE2 3.58Å; R32-E40 PolarHBondContact N-O 3.17Å; R32-E40 IonicContact NE-OE2 2.78Å; R32-E40 PolarHBondContact NE-OE2 3Å; R32-E40 IonicContact NH2-OE2 3.66Å; R32-E40 PolarHBondContact NH2-OE2 2.82Å; R32-E40 PolarHBondContact O-N 3.28Å; R32-M42 HydrophobicContact CB-SD 3.97Å; R32-M42 HydrophobicContact CG-CG 4.1Å; R32-M42 HydrophobicContact CG-SD 4Å; R32-D83 IonicContact CZ-OD1 3.07Å; R32-D83 IonicContact NH1-OD1 2.69Å; R32-D83 PolarHBondContact NH1-OD1 3.11Å; R32-D83 IonicContact NH2-OD1 2.66Å; R32-A85 HydrophobicContact CB-CB 3.84Å; R32-A85 HydrophobicContact CG-CB 4.37Å; R32-T86 CarbonylContact C-O 3.46Å; R32-T86 VanDerWaalsContact CA-O 3.31Å; R32-T86 WeakPolarHBondContact CA-O 3.25Å; R32-Y87 HydrophobicContact CB-CD1 3.85Å; R32-Y87 HydrophobicContact CB-CE1 3.83Å; R32-Y87 HydrophobicContact CB-CG 4.37Å
33	Q	97.1	Very high	94.4	Very high	42 Å²	42	50 Å²	50	20%	0.196	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	118.3	178.5	-171.7	-177.8	32.3	0	0	109.6	N37 K38 L39 A85 T86 Y88	Q33-N37 PolarHBondContact NE2-OD1 2.82Å; Q33-K38 WeakPolarHBondContact CA-O 3.38Å; Q33-L39 HydrophobicContact CB-CD2 3.65Å; Q33-L39 HydrophobicContact CG-CD2 3.71Å; Q33-A85 WeakPolarHBondContact O-CA 3.45Å; Q33-A85 WeakPolarHBondContact O-CB 3.49Å; Q33-T86 PolarHBondContact N-O 3.47Å; Q33-T86 PolarHBondContact O-N 3.02Å; Q33-Y88 HydrophobicContact CB-CD2 4.23Å; Q33-Y88 HydrophobicContact CB-CE2 3.59Å; Q33-Y88 HydrophobicContact CG-CE2 4.47Å; Q33-Y88 VanDerWaalsContact OE1-CE2 3.3Å; Q33-Y88 PolarHBondContact OE1-OH 3.42Å
34	F	95.5	Very high	94.7	Very high	39 Å²	39	49.9 Å²	49.9	17%	0.171	27%	0.27	C	S	.	.			trans	-80	160.6	175.8	-63.2	-72.4	0	0	0	111.5	R32 G36 N37 K38 E40 E82 A85	R32-F34 HydrophobicContact CG-CE2 4.24Å; R32-F34 HydrophobicContact CG-CZ 4.14Å; F34-G36 PolarHBondContact O-N 2.93Å; F34-N37 PolarHBondContact O-N 2.05Å; F34-N37 VanDerWaalsContact O-N 3.11Å; F34-K38 HydrophobicContact CB-CB 4.42Å; F34-K38 HydrophobicContact CD2-CB 4.43Å; F34-K38 HydrophobicContact CD2-CD 4.45Å; F34-K38 HydrophobicContact CD2-CG 4.43Å; F34-K38 PolarHBondContact N-O 3.04Å; F34-E40 HydrophobicContact CE2-CB 3.93Å; F34-E82 WeakPolarHBondContact CE1-O 3.05Å; F34-A85 HydrophobicContact CD1-CB 3.93Å; F34-A85 HydrophobicContact CE1-CB 4.01Å
35	P	92.9	Very high	95.1	Very high	114 Å²	114	48.1 Å²	48.1	74%	0.74	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.3	135.2	162.6	-25.1	34.7	0	0	0	110.5
36	G	93.6	Very high	95.4	Very high	74 Å²	74	48.5 Å²	48.5	76%	0.763	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.7	15	-172.7	0	0	0	0	0	115	F34 K38	F34-G36 PolarHBondContact O-N 2.93Å; G36-K38 PolarHBondContact O-N 2.88Å
37	N	90.8	Very high	95.4	Very high	126 Å²	126	50.8 Å²	50.8	67%	0.674	26%	0.262	S	S	*	.	S	Bend	trans	65.5	14.3	171.8	-59.1	-49.8	0	0	0	116.1	Q33 F34 L39	Q33-N37 PolarHBondContact NE2-OD1 2.82Å; F34-N37 PolarHBondContact O-N 2.05Å; F34-N37 VanDerWaalsContact O-N 3.11Å; N37-L39 PolarHBondContact O-N 2.96Å
38	K	94.8	Very high	95.3	Very high	142 Å²	142	54.3 Å²	54.3	62%	0.617	29%	0.287	S	S	*	.			trans	-70.7	122.1	172.4	-177	-177.7	177.6	-174.1	0	109.7	Q33 F34 G36	Q33-K38 WeakPolarHBondContact CA-O 3.38Å; F34-K38 HydrophobicContact CB-CB 4.42Å; F34-K38 HydrophobicContact CD2-CB 4.43Å; F34-K38 HydrophobicContact CD2-CD 4.45Å; F34-K38 HydrophobicContact CD2-CG 4.43Å; F34-K38 PolarHBondContact N-O 3.04Å; G36-K38 PolarHBondContact O-N 2.88Å
39	L	96.1	Very high	95.2	Very high	109 Å²	109	55.4 Å²	55.4	57%	0.571	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	140.2	175.2	-64.2	172.2	0	0	0	110.7	I31 R32 Q33 N37	I31-L39 HydrophobicContact CG2-CB 4.32Å; I31-L39 HydrophobicContact CG2-CD2 4.01Å; R32-L39 WeakPolarHBondContact O-CA 3.41Å; Q33-L39 HydrophobicContact CB-CD2 3.65Å; Q33-L39 HydrophobicContact CG-CD2 3.71Å; N37-L39 PolarHBondContact O-N 2.96Å
40	E	97.2	Very high	95.1	Very high	44 Å²	44	57 Å²	57	21%	0.206	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	121.7	169.9	-175.9	174.9	-132.5	0	0	109.8	I31 R32 F34	I31-E40 WeakPolarHBondContact CA-O 3.48Å; R32-E40 HydrophobicContact CG-CB 4.07Å; R32-E40 IonicContact CZ-OE2 3.58Å; R32-E40 PolarHBondContact N-O 3.17Å; R32-E40 IonicContact NE-OE2 2.78Å; R32-E40 PolarHBondContact NE-OE2 3Å; R32-E40 IonicContact NH2-OE2 3.66Å; R32-E40 PolarHBondContact NH2-OE2 2.82Å; R32-E40 PolarHBondContact O-N 3.28Å; F34-E40 HydrophobicContact CE2-CB 3.93Å
41	W	97.4	Very high	95	Very high	84 Å²	84	59.4 Å²	59.4	32%	0.318	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	131.6	170.7	173.8	72.4	0	0	0	109.6	H29 G43 Y44 N52 N54	H29-W41 AromaticContact ND1-CD1 3.73Å; H29-W41 AromaticContact ND1-NE1 3.21Å; H29-W41 PolarHBondContact ND1-NE1 2.99Å; W41-G43 VanDerWaalsContact CE2-CA 3.42Å; W41-G43 VanDerWaalsContact CZ2-C 3.49Å; W41-G43 VanDerWaalsContact NE1-C 3.3Å; W41-G43 PolarHBondContact NE1-O 3.26Å; W41-Y44 AromaticContact CZ2-CD1 3.58Å; W41-Y44 HydrophobicContact CZ2-CD1 3.58Å; W41-Y44 HydrophobicContact CZ2-CE1 4.25Å; W41-Y44 HydrophobicContact CZ2-CG 4.44Å; W41-N52 HydrophobicContact CH2-CB 4.29Å; W41-N54 HydrophobicContact CE3-CB 3.94Å; W41-N54 HydrophobicContact CZ3-CB 4.01Å; W41-N54 VanDerWaalsContact CZ3-N 3.33Å; W41-N54 VanDerWaalsContact O-CB 3.31Å; W41-N54 WeakPolarHBondContact O-CB 3.44Å; W41-N54 PolarHBondContact O-ND2 3.21Å
42	M	97.5	Very high	95	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	-41.4	-177.9	-57.4	-175.8	71.5	0	0	111.8	W30 R32 N54 L57 I61 L74 Y87	W30-M42 HydrophobicContact CB-CB 4.15Å; W30-M42 HydrophobicContact CB-SD 4.49Å; W30-M42 WeakPolarHBondContact O-CB 3.1Å; W30-M42 PolarHBondContact O-N 3.05Å; R32-M42 HydrophobicContact CB-SD 3.97Å; R32-M42 HydrophobicContact CG-CG 4.1Å; R32-M42 HydrophobicContact CG-SD 4Å; M42-N54 WeakPolarHBondContact O-CB 3.41Å; M42-N54 PolarHBondContact O-N 2.93Å; M42-L57 HydrophobicContact CB-CD1 4.14Å; M42-L57 HydrophobicContact CE-CD1 4.18Å; M42-L57 HydrophobicContact CG-CD1 3.96Å; M42-I61 HydrophobicContact CB-CD1 4.19Å; M42-I61 HydrophobicContact CE-CG2 3.96Å; M42-I61 WeakPolarHBondContact O-CD1 3.03Å; M42-L74 HydrophobicContact CE-CD1 4.33Å; M42-L74 HydrophobicContact CE-CD2 3.73Å; M42-L74 HydrophobicContact SD-CD2 3.79Å; M42-Y87 HydrophobicContact CE-CE1 3.88Å; M42-Y87 HydrophobicContact SD-CD1 3.74Å; M42-Y87 HydrophobicContact SD-CE1 3.58Å; M42-Y87 VanDerWaalsContact SD-CE1 3.58Å
43	G	97.3	Very high	95	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.4	175.2	-174.9	0	0	0	0	0	111.6	H29 W30 W41 N52 I63	H29-G43 WeakPolarHBondContact CA-O 3.18Å; W30-G43 PolarHBondContact N-O 2.86Å; W41-G43 VanDerWaalsContact CE2-CA 3.42Å; W41-G43 VanDerWaalsContact CZ2-C 3.49Å; W41-G43 VanDerWaalsContact NE1-C 3.3Å; W41-G43 PolarHBondContact NE1-O 3.26Å; G43-N52 CarbonylContact C-O 3.54Å; G43-N52 WeakPolarHBondContact CA-O 3.18Å; G43-I63 VanDerWaalsContact C-CD1 3.43Å; G43-I63 VanDerWaalsContact CA-CD1 3.47Å
44	Y	96.4	Very high	95	Very high	62 Å²	62	61.7 Å²	61.7	24%	0.243	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	160.8	170.4	73.6	-107.9	0	0	0	112	W28 H29 W41 H46 T51 N52	W28-Y44 CarbonylContact O-C 3.55Å; W28-Y44 WeakPolarHBondContact O-CA 2.94Å; W28-Y44 WeakPolarHBondContact O-CB 3.34Å; H29-Y44 AromaticContact CE1-CD1 3.66Å; H29-Y44 AromaticContact CE1-CG 3.84Å; W41-Y44 AromaticContact CZ2-CD1 3.58Å; W41-Y44 HydrophobicContact CZ2-CD1 3.58Å; W41-Y44 HydrophobicContact CZ2-CE1 4.25Å; W41-Y44 HydrophobicContact CZ2-CG 4.44Å; Y44-H46 HydrophobicContact CE2-CB 4.21Å; Y44-T51 VanDerWaalsContact O-CA 3.3Å; Y44-T51 WeakPolarHBondContact O-CA 3.43Å; Y44-N52 HydrophobicContact CD1-CB 3.96Å; Y44-N52 HydrophobicContact CE1-CB 3.41Å; Y44-N52 VanDerWaalsContact CE1-CB 3.41Å; Y44-N52 HydrophobicContact CE2-CB 4.16Å; Y44-N52 PolarHBondContact N-O 3.18Å; Y44-N52 PolarHBondContact O-N 2.69Å; Y44-N52 VanDerWaalsContact O-N 3.07Å
45	I	95.5	Very high	95.1	Very high	7 Å²	7	65.1 Å²	65.1	4%	0.036	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	126.9	162.8	-170.6	162.9	0	0	0	109.8	W28 S50 T51 I63 R65 F72	W28-I45 HydrophobicContact CB-CG2 4.16Å; W28-I45 PolarHBondContact N-O 2.78Å; W28-I45 PolarHBondContact O-N 2.88Å; I45-S50 WeakPolarHBondContact CA-O 3.38Å; I45-T51 HydrophobicContact CB-CG2 4.1Å; I45-T51 HydrophobicContact CD1-CG2 3.93Å; I45-T51 HydrophobicContact CG1-CG2 3.85Å; I45-I63 HydrophobicContact CB-CG2 3.88Å; I45-I63 HydrophobicContact CG2-CG2 3.88Å; I45-R65 HydrophobicContact CD1-CB 4.12Å; I45-R65 HydrophobicContact CD1-CG 3.79Å; I45-F72 HydrophobicContact CG2-CB 4.43Å; I45-F72 HydrophobicContact CG2-CD2 4.37Å
46	H	93.9	Very high	95.1	Very high	30 Å²	30	64.1 Å²	64.1	14%	0.139	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	161.3	179.8	-171.4	-119.9	0	0	0	111.3	Y44 S48 G49 S50 R65 D94	Y44-H46 HydrophobicContact CE2-CB 4.21Å; H46-S48 PolarHBondContact ND1-N 3.4Å; H46-S48 PolarHBondContact ND1-OG 3.08Å; H46-S48 PolarHBondContact O-N 2.99Å; H46-S48 VanDerWaalsContact O-N 3.17Å; H46-G49 WeakPolarHBondContact O-CA 3.48Å; H46-G49 PolarHBondContact O-N 3.05Å; H46-S50 VanDerWaalsContact CB-OG 3.24Å; H46-S50 WeakPolarHBondContact CB-OG 3.45Å; H46-S50 PolarHBondContact N-O 2.81Å; H46-R65 PolarHBondContact O-NH1 2.87Å; H46-D94 IonicContact CD2-OD2 2.81Å; H46-D94 PolarHBondContact CD2-OD2 2.95Å; H46-D94 IonicContact NE2-OD2 3.18Å
47	Y	91.3	Very high	95.2	Very high	95 Å²	95	60.8 Å²	60.8	37%	0.373	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-27.5	176.1	75.9	-94.3	0	0	0	113	G25 Y26 G49 R65	G25-Y47 VanDerWaalsContact C-CD1 3.47Å; Y26-Y47 WeakPolarHBondContact O-CB 3.43Å; Y26-Y47 PolarHBondContact O-N 2.7Å; Y47-G49 PolarHBondContact O-N 2.87Å; Y47-R65 VanDerWaalsContact C-NH1 3.27Å; Y47-R65 VanDerWaalsContact O-CZ 3.29Å; Y47-R65 PolarHBondContact O-NH1 3.03Å; Y47-R65 PolarHBondContact O-NH2 3.34Å
48	S	92.3	Very high	95.4	Very high	74 Å²	74	61.2 Å²	61.2	52%	0.517	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-12.7	173.6	66.5	0	0	0	0	113.5	H46 S50	H46-S48 PolarHBondContact ND1-N 3.4Å; H46-S48 PolarHBondContact ND1-OG 3.08Å; H46-S48 PolarHBondContact O-N 2.99Å; H46-S48 VanDerWaalsContact O-N 3.17Å; S48-S50 PolarHBondContact OG-OG 3.05Å
49	G	92	Very high	95.4	Very high	32 Å²	32	59.8 Å²	59.8	33%	0.33	33%	0.333	S	S	.	.	S	Bend	trans	95.5	-1.4	-177.3	0	0	0	0	0	114.3	H46 Y47	H46-G49 WeakPolarHBondContact O-CA 3.48Å; H46-G49 PolarHBondContact O-N 3.05Å; Y47-G49 PolarHBondContact O-N 2.87Å
50	S	93.9	Very high	95.4	Very high	61 Å²	61	57.3 Å²	57.3	43%	0.427	32%	0.316	S	S	.	.			trans	-66.8	142.4	171.7	56.8	0	0	0	0	111	I45 H46 S48	I45-S50 WeakPolarHBondContact CA-O 3.38Å; H46-S50 VanDerWaalsContact CB-OG 3.24Å; H46-S50 WeakPolarHBondContact CB-OG 3.45Å; H46-S50 PolarHBondContact N-O 2.81Å; S48-S50 PolarHBondContact OG-OG 3.05Å
51	T	95.9	Very high	95.4	Very high	59 Å²	59	55.7 Å²	55.7	36%	0.362	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	143.7	-178.8	57	0	0	0	0	111.3	Y44 I45 Y53	Y44-T51 VanDerWaalsContact O-CA 3.3Å; Y44-T51 WeakPolarHBondContact O-CA 3.43Å; I45-T51 HydrophobicContact CB-CG2 4.1Å; I45-T51 HydrophobicContact CD1-CG2 3.93Å; I45-T51 HydrophobicContact CG1-CG2 3.85Å; T51-Y53 WeakPolarHBondContact OG1-CE2 3.37Å
52	N	96.5	Very high	95.4	Very high	77 Å²	77	54 Å²	54	41%	0.412	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	150.3	167.1	-157.2	-48.9	0	0	0	109.6	W41 G43 Y44	W41-N52 HydrophobicContact CH2-CB 4.29Å; G43-N52 CarbonylContact C-O 3.54Å; G43-N52 WeakPolarHBondContact CA-O 3.18Å; Y44-N52 HydrophobicContact CD1-CB 3.96Å; Y44-N52 HydrophobicContact CE1-CB 3.41Å; Y44-N52 VanDerWaalsContact CE1-CB 3.41Å; Y44-N52 HydrophobicContact CE2-CB 4.16Å; Y44-N52 PolarHBondContact N-O 3.18Å; Y44-N52 PolarHBondContact O-N 2.69Å; Y44-N52 VanDerWaalsContact O-N 3.07Å
53	Y	97.6	Very high	95.3	Very high	43 Å²	43	54.1 Å²	54.1	17%	0.169	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	147	-172.3	-58.9	-79.7	0	0	0	110	T51 P55 K58 I61 I63	T51-Y53 WeakPolarHBondContact OG1-CE2 3.37Å; Y53-P55 WeakPolarHBondContact O-CD 3.5Å; Y53-K58 HydrophobicContact CD2-CG 4.29Å; Y53-K58 HydrophobicContact CG-CG 4.31Å; Y53-I61 HydrophobicContact CD1-CD1 3.65Å; Y53-I61 HydrophobicContact CD1-CG1 3.66Å; Y53-I61 HydrophobicContact CE1-CD1 4.46Å; Y53-I61 HydrophobicContact CE1-CG1 4.18Å; Y53-I63 HydrophobicContact CD1-CD1 4.19Å; Y53-I63 HydrophobicContact CD1-CG1 4.48Å; Y53-I63 HydrophobicContact CE1-CB 4.06Å; Y53-I63 HydrophobicContact CE1-CD1 4.04Å; Y53-I63 HydrophobicContact CE1-CG1 3.92Å
54	N	97	Very high	95.3	Very high	24 Å²	24	57.4 Å²	57.4	13%	0.128	33%	0.33	C	S	.	.			trans	-60.8	123.7	165.2	-177.9	-28.1	0	0	0	108.9	W41 M42 S56 L57 K58	W41-N54 HydrophobicContact CE3-CB 3.94Å; W41-N54 HydrophobicContact CZ3-CB 4.01Å; W41-N54 VanDerWaalsContact CZ3-N 3.33Å; W41-N54 VanDerWaalsContact O-CB 3.31Å; W41-N54 WeakPolarHBondContact O-CB 3.44Å; W41-N54 PolarHBondContact O-ND2 3.21Å; M42-N54 WeakPolarHBondContact O-CB 3.41Å; M42-N54 PolarHBondContact O-N 2.93Å; N54-S56 PolarHBondContact O-N 2.86Å; N54-S56 VanDerWaalsContact O-N 3.11Å; N54-S56 WeakPolarHBondContact OD1-CB 3.21Å; N54-S56 PolarHBondContact OD1-N 3.04Å; N54-L57 HydrophobicContact CB-CB 4.39Å; N54-L57 HydrophobicContact CB-CD1 4.31Å; N54-L57 PolarHBondContact O-N 2.84Å; N54-K58 PolarHBondContact O-N 2.95Å
55	P	96.5	Very high	95.2	Very high	111 Å²	111	57.7 Å²	57.7	72%	0.721	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-36.5	-178.1	-29.3	36	0	0	0	113.8	Y53 L57	Y53-P55 WeakPolarHBondContact O-CD 3.5Å; P55-L57 PolarHBondContact O-N 3.03Å
56	S	94.1	Very high	95.1	Very high	92 Å²	92	59.1 Å²	59.1	64%	0.643	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-20.2	179.8	-55	0	0	0	0	113.7	N54	N54-S56 PolarHBondContact O-N 2.86Å; N54-S56 VanDerWaalsContact O-N 3.11Å; N54-S56 WeakPolarHBondContact OD1-CB 3.21Å; N54-S56 PolarHBondContact OD1-N 3.04Å
57	L	95.2	Very high	95.1	Very high	4 Å²	4	61.4 Å²	61.4	2%	0.021	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-13.8	-175.9	-63	173.8	0	0	0	113	M42 N54 P55 S59 R60 I61	M42-L57 HydrophobicContact CB-CD1 4.14Å; M42-L57 HydrophobicContact CE-CD1 4.18Å; M42-L57 HydrophobicContact CG-CD1 3.96Å; N54-L57 HydrophobicContact CB-CB 4.39Å; N54-L57 HydrophobicContact CB-CD1 4.31Å; N54-L57 PolarHBondContact O-N 2.84Å; P55-L57 PolarHBondContact O-N 3.03Å; L57-S59 PolarHBondContact O-N 3.31Å; L57-R60 PolarHBondContact O-N 2.92Å; L57-I61 HydrophobicContact CB-CD1 3.84Å; L57-I61 HydrophobicContact CB-CG1 4.25Å; L57-I61 HydrophobicContact CB-CG2 4.11Å; L57-I61 WeakPolarHBondContact O-CG1 3.11Å; L57-I61 PolarHBondContact O-N 2.99Å
58	K	94.6	Very high	95.2	Very high	136 Å²	136	61.8 Å²	61.8	59%	0.591	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-31.3	-170.9	-173.8	175.3	-178.9	-178.9	0	114.6	Y53 N54	Y53-K58 HydrophobicContact CD2-CG 4.29Å; Y53-K58 HydrophobicContact CG-CG 4.31Å; N54-K58 PolarHBondContact O-N 2.95Å
59	S	95.6	Very high	95.3	Very high	112 Å²	112	64.2 Å²	64.2	78%	0.783	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-19.9	178.1	58.2	0	0	0	0	113.9	L57	L57-S59 PolarHBondContact O-N 3.31Å
60	R	95.6	Very high	95.4	Very high	57 Å²	57	64.3 Å²	64.3	22%	0.215	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-22.2	-174.3	-58.7	-161.5	-61.9	137.3	-0.9	113.5	L57 L76 N77 S78 D83	L57-R60 PolarHBondContact O-N 2.92Å; R60-L76 HydrophobicContact CB-CD1 4.01Å; R60-N77 PolarHBondContact O-N 3.07Å; R60-S78 PolarHBondContact NH1-O 3.22Å; R60-D83 IonicContact CZ-OD1 3.92Å; R60-D83 IonicContact CZ-OD2 3.59Å; R60-D83 IonicContact NH1-OD1 3.6Å; R60-D83 PolarHBondContact NH1-OD1 3.03Å; R60-D83 IonicContact NH1-OD2 3.46Å; R60-D83 PolarHBondContact NH1-OD2 2.82Å; R60-D83 IonicContact NH2-OD1 3.59Å; R60-D83 PolarHBondContact NH2-OD1 2.83Å; R60-D83 IonicContact NH2-OD2 2.78Å
61	I	96.7	Very high	95.5	Very high	10 Å²	10	63.4 Å²	63.4	5%	0.051	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	148.8	-175.2	70.4	178.9	0	0	0	113	M42 Y53 L57 L74 Q75 L76	M42-I61 HydrophobicContact CB-CD1 4.19Å; M42-I61 HydrophobicContact CE-CG2 3.96Å; M42-I61 WeakPolarHBondContact O-CD1 3.03Å; Y53-I61 HydrophobicContact CD1-CD1 3.65Å; Y53-I61 HydrophobicContact CD1-CG1 3.66Å; Y53-I61 HydrophobicContact CE1-CD1 4.46Å; Y53-I61 HydrophobicContact CE1-CG1 4.18Å; L57-I61 HydrophobicContact CB-CD1 3.84Å; L57-I61 HydrophobicContact CB-CG1 4.25Å; L57-I61 HydrophobicContact CB-CG2 4.11Å; L57-I61 WeakPolarHBondContact O-CG1 3.11Å; L57-I61 PolarHBondContact O-N 2.99Å; I61-L74 HydrophobicContact CB-CD1 4.11Å; I61-L74 HydrophobicContact CG2-CD1 4.36Å; I61-Q75 CarbonylContact C-O 3.57Å; I61-Q75 VanDerWaalsContact CA-O 3.22Å; I61-Q75 WeakPolarHBondContact CA-O 3.38Å; I61-L76 HydrophobicContact CG2-CB 4.46Å; I61-L76 HydrophobicContact CG2-CD1 3.57Å
62	S	97	Very high	95.4	Very high	47 Å²	47	60.6 Å²	60.6	33%	0.329	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	132.5	167.5	179.5	0	0	0	0	109	Q75	S62-Q75 PolarHBondContact N-O 2.97Å; S62-Q75 PolarHBondContact O-N 2.99Å
63	I	97.1	Very high	95.4	Very high	4 Å²	4	58.9 Å²	58.9	2%	0.021	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	123.5	177.5	-62.4	170.9	0	0	0	107.8	G43 I45 Y53 F73 L74	G43-I63 VanDerWaalsContact C-CD1 3.43Å; G43-I63 VanDerWaalsContact CA-CD1 3.47Å; I45-I63 HydrophobicContact CB-CG2 3.88Å; I45-I63 HydrophobicContact CG2-CG2 3.88Å; Y53-I63 HydrophobicContact CD1-CD1 4.19Å; Y53-I63 HydrophobicContact CD1-CG1 4.48Å; Y53-I63 HydrophobicContact CE1-CB 4.06Å; Y53-I63 HydrophobicContact CE1-CD1 4.04Å; Y53-I63 HydrophobicContact CE1-CG1 3.92Å; I63-F73 WeakPolarHBondContact CA-O 3.45Å; I63-L74 HydrophobicContact CD1-CD1 4.47Å; I63-L74 HydrophobicContact CG1-CD1 3.83Å
64	T	95.9	Very high	95.4	Very high	68 Å²	68	56.9 Å²	56.9	42%	0.417	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	169.8	-177.6	63.8	0	0	0	0	110.9	F72 F73	T64-F72 CarbonylContact O-C 3.48Å; T64-F72 VanDerWaalsContact O-CA 3.32Å; T64-F72 WeakPolarHBondContact O-CA 3.35Å; T64-F72 WeakPolarHBondContact O-CB 3.22Å; T64-F73 PolarHBondContact N-O 2.84Å; T64-F73 VanDerWaalsContact N-O 3.14Å; T64-F73 PolarHBondContact O-N 3.14Å
65	R	94.8	Very high	95.3	Very high	68 Å²	68	58.5 Å²	58.5	26%	0.257	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	151.4	176.5	68	178.3	-175	-179.6	1.6	112.8	I22 I45 H46 Y47 T67 Q71 F72	I22-R65 HydrophobicContact CD1-CB 3.52Å; I22-R65 HydrophobicContact CD1-CG 4.44Å; I45-R65 HydrophobicContact CD1-CB 4.12Å; I45-R65 HydrophobicContact CD1-CG 3.79Å; H46-R65 PolarHBondContact O-NH1 2.87Å; Y47-R65 VanDerWaalsContact C-NH1 3.27Å; Y47-R65 VanDerWaalsContact O-CZ 3.29Å; Y47-R65 PolarHBondContact O-NH1 3.03Å; Y47-R65 PolarHBondContact O-NH2 3.34Å; R65-T67 HydrophobicContact CG-CG2 4.5Å; R65-Q71 CarbonylContact C-O 3.59Å; R65-Q71 WeakPolarHBondContact CA-O 3.37Å; R65-F72 HydrophobicContact CB-CB 4.23Å
66	D	94.4	Very high	95.3	Very high	38 Å²	38	53.2 Å²	53.2	20%	0.203	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	104.6	167.1	-175.3	-19.7	0	0	0	108	S68 K69 N70 Q71 F73	D66-S68 VanDerWaalsContact C-N 3.28Å; D66-S68 PolarHBondContact O-N 2.83Å; D66-S68 WeakPolarHBondContact OD1-CB 3.45Å; D66-S68 PolarHBondContact OD1-N 2.84Å; D66-S68 PolarHBondContact OD1-OG 2.94Å; D66-K69 HydrophobicContact CB-CB 4.33Å; D66-K69 PolarHBondContact O-N 3.04Å; D66-K69 PolarHBondContact OD1-N 2.82Å; D66-K69 WeakPolarHBondContact OD2-CD 3.24Å; D66-K69 WeakPolarHBondContact OD2-CE 3.42Å; D66-K69 WeakPolarHBondContact OD2-CG 2.97Å; D66-K69 IonicContact OD2-NZ 2.7Å; D66-K69 PolarHBondContact OD2-NZ 3.02Å; D66-N70 PolarHBondContact O-N 3.36Å; D66-Q71 PolarHBondContact N-O 2.9Å; D66-Q71 PolarHBondContact O-N 2.86Å; D66-F73 HydrophobicContact CB-CE2 3.77Å; D66-F73 HydrophobicContact CB-CZ 4.29Å
67	T	93.4	Very high	95.3	Very high	78 Å²	78	51.7 Å²	51.7	48%	0.479	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-26.6	-179.3	54.7	0	0	0	0	112.4	I22 T23 R65 K69	I22-T67 HydrophobicContact CG2-CG2 3.76Å; T23-T67 HydrophobicContact CG2-CG2 3.76Å; R65-T67 HydrophobicContact CG-CG2 4.5Å; T67-K69 VanDerWaalsContact C-N 3.33Å
68	S	93.2	Very high	95.2	Very high	103 Å²	103	55 Å²	55	72%	0.72	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-32	178.7	75.3	0	0	0	0	112	D66	D66-S68 VanDerWaalsContact C-N 3.28Å; D66-S68 PolarHBondContact O-N 2.83Å; D66-S68 WeakPolarHBondContact OD1-CB 3.45Å; D66-S68 PolarHBondContact OD1-N 2.84Å; D66-S68 PolarHBondContact OD1-OG 2.94Å
69	K	94.4	Very high	95.1	Very high	125 Å²	125	49.2 Å²	49.2	54%	0.543	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-3.2	178.4	-63.1	-178.4	-169.2	154.5	0	113.8	D66 T67 Q71	D66-K69 HydrophobicContact CB-CB 4.33Å; D66-K69 PolarHBondContact O-N 3.04Å; D66-K69 PolarHBondContact OD1-N 2.82Å; D66-K69 WeakPolarHBondContact OD2-CD 3.24Å; D66-K69 WeakPolarHBondContact OD2-CE 3.42Å; D66-K69 WeakPolarHBondContact OD2-CG 2.97Å; D66-K69 IonicContact OD2-NZ 2.7Å; D66-K69 PolarHBondContact OD2-NZ 3.02Å; T67-K69 VanDerWaalsContact C-N 3.33Å; K69-Q71 VanDerWaalsContact C-N 3.29Å; K69-Q71 HydrophobicContact CB-CB 4.35Å; K69-Q71 HydrophobicContact CB-CG 4.19Å; K69-Q71 PolarHBondContact O-N 3.17Å
70	N	94.2	Very high	95	Very high	33 Å²	33	46.7 Å²	46.7	18%	0.176	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	44.2	-176	-157.7	33.3	0	0	0	112.9	L17 Y20 S21 I22 D66	L17-N70 WeakPolarHBondContact CB-ND2 3.31Å; L17-N70 PolarHBondContact N-O 3.26Å; L17-N70 PolarHBondContact O-ND2 3.29Å; Y20-N70 PolarHBondContact O-ND2 2.56Å; Y20-N70 PolarHBondContact O-OD1 2.85Å; S21-N70 WeakPolarHBondContact CA-OD1 3.44Å; I22-N70 PolarHBondContact N-OD1 2.63Å; D66-N70 PolarHBondContact O-N 3.36Å
71	Q	95.3	Very high	94.7	Very high	43 Å²	43	49.3 Å²	49.3	20%	0.201	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	146.4	-174	-77.9	173.6	-15.2	0	0	111.1	T14 C15 T16 I22 R65 D66 K69 F73	T14-Q71 HydrophobicContact CG2-CB 4.22Å; T14-Q71 HydrophobicContact CG2-CG 3.99Å; C15-Q71 WeakPolarHBondContact O-CA 3.24Å; T16-Q71 HydrophobicContact CG2-CG 4.08Å; T16-Q71 WeakPolarHBondContact OG1-CG 3.17Å; T16-Q71 PolarHBondContact OG1-NE2 2.93Å; I22-Q71 VanDerWaalsContact CD1-O 3.25Å; I22-Q71 WeakPolarHBondContact CD1-O 3.43Å; R65-Q71 CarbonylContact C-O 3.59Å; R65-Q71 WeakPolarHBondContact CA-O 3.37Å; D66-Q71 PolarHBondContact N-O 2.9Å; D66-Q71 PolarHBondContact O-N 2.86Å; K69-Q71 VanDerWaalsContact C-N 3.29Å; K69-Q71 HydrophobicContact CB-CB 4.35Å; K69-Q71 HydrophobicContact CB-CG 4.19Å; K69-Q71 PolarHBondContact O-N 3.17Å; Q71-F73 HydrophobicContact CB-CE1 4.31Å; Q71-F73 HydrophobicContact CB-CE2 3.92Å; Q71-F73 HydrophobicContact CB-CZ 3.61Å
72	F	94.2	Very high	94.4	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	149.6	165.5	78	-74.9	0	0	0	111.6	C15 L17 I22 W28 W30 I45 T64 R65 C89	C15-F72 HydrophobicContact CB-CD1 3.74Å; C15-F72 HydrophobicContact CB-CE1 3.36Å; C15-F72 HydrophobicContact CB-CZ 3.88Å; C15-F72 PolarHBondContact N-O 3.44Å; C15-F72 PolarHBondContact O-N 3.13Å; C15-F72 WeakPolarHBondContact SG-CE1 3.37Å; L17-F72 HydrophobicContact CD2-CD1 4.44Å; L17-F72 HydrophobicContact CD2-CE1 4.15Å; I22-F72 HydrophobicContact CD1-CB 3.62Å; I22-F72 HydrophobicContact CD1-CG 4.49Å; W28-F72 HydrophobicContact CB-CD1 4.16Å; W28-F72 HydrophobicContact CB-CD2 4.05Å; W28-F72 HydrophobicContact CB-CE1 3.93Å; W28-F72 HydrophobicContact CB-CE2 3.84Å; W28-F72 HydrophobicContact CB-CG 4.2Å; W28-F72 HydrophobicContact CB-CZ 3.75Å; W28-F72 HydrophobicContact CE3-CE1 4.34Å; W28-F72 HydrophobicContact CG-CE1 4.45Å; W30-F72 AromaticContact CD1-CD2 3.92Å; W30-F72 AromaticContact CD1-CE2 3.57Å; W30-F72 HydrophobicContact CD2-CE2 4.14Å; W30-F72 AromaticContact CE2-CD2 3.89Å; W30-F72 AromaticContact CE2-CE2 3.54Å; W30-F72 HydrophobicContact CG-CE2 4.16Å; W30-F72 HydrophobicContact CZ2-CD2 4.3Å; W30-F72 HydrophobicContact CZ2-CE2 4.1Å; W30-F72 AromaticContact NE1-CD2 3.24Å; W30-F72 AromaticContact NE1-CE2 3.16Å; I45-F72 HydrophobicContact CG2-CB 4.43Å; I45-F72 HydrophobicContact CG2-CD2 4.37Å; T64-F72 CarbonylContact O-C 3.48Å; T64-F72 VanDerWaalsContact O-CA 3.32Å; T64-F72 WeakPolarHBondContact O-CA 3.35Å; T64-F72 WeakPolarHBondContact O-CB 3.22Å; R65-F72 HydrophobicContact CB-CB 4.23Å; F72-C89 HydrophobicContact CE1-CB 3.73Å; F72-C89 HydrophobicContact CE2-CB 4.32Å; F72-C89 HydrophobicContact CZ-CB 3.29Å
73	F	96.3	Very high	94.2	Very high	41 Å²	41	54.1 Å²	54.1	18%	0.18	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	148.3	-164.9	-51.5	-89.5	0	0	0	110.7	L13 T14 W30 I63 T64 D66 Q71	L13-F73 CarbonylContact O-C 3.58Å; L13-F73 WeakPolarHBondContact O-CA 3.24Å; T14-F73 HydrophobicContact CG2-CD1 3.87Å; T14-F73 HydrophobicContact CG2-CE1 3.48Å; T14-F73 VanDerWaalsContact CG2-CE1 3.48Å; T14-F73 HydrophobicContact CG2-CZ 4.28Å; T14-F73 VanDerWaalsContact OG1-CD1 3.29Å; T14-F73 WeakPolarHBondContact OG1-CD1 3.19Å; T14-F73 WeakPolarHBondContact OG1-CE1 3.34Å; W30-F73 PolarHBondContact NE1-O 2.83Å; I63-F73 WeakPolarHBondContact CA-O 3.45Å; T64-F73 PolarHBondContact N-O 2.84Å; T64-F73 VanDerWaalsContact N-O 3.14Å; T64-F73 PolarHBondContact O-N 3.14Å; D66-F73 HydrophobicContact CB-CE2 3.77Å; D66-F73 HydrophobicContact CB-CZ 4.29Å; Q71-F73 HydrophobicContact CB-CE1 4.31Å; Q71-F73 HydrophobicContact CB-CE2 3.92Å; Q71-F73 HydrophobicContact CB-CZ 3.61Å
74	L	97.4	Very high	93.9	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	123	164.9	177	72.1	0	0	0	108.1	S12 L13 W30 M42 I61 I63 Y87	S12-L74 CarbonylContact C-O 3.46Å; S12-L74 WeakPolarHBondContact CA-O 3.3Å; L13-L74 HydrophobicContact CB-CB 4.23Å; L13-L74 HydrophobicContact CD1-CD2 3.91Å; L13-L74 PolarHBondContact N-O 2.84Å; L13-L74 PolarHBondContact O-N 2.88Å; W30-L74 HydrophobicContact CB-CD2 4.42Å; W30-L74 HydrophobicContact CD2-CB 3.73Å; W30-L74 HydrophobicContact CD2-CD2 4.16Å; W30-L74 HydrophobicContact CD2-CG 4.47Å; W30-L74 VanDerWaalsContact CE2-CB 3.48Å; W30-L74 HydrophobicContact CE3-CB 4.38Å; W30-L74 HydrophobicContact CE3-CD2 4.31Å; W30-L74 HydrophobicContact CG-CB 3.93Å; W30-L74 HydrophobicContact CG-CD1 4.28Å; W30-L74 HydrophobicContact CG-CD2 4.22Å; W30-L74 HydrophobicContact CG-CG 4.38Å; W30-L74 HydrophobicContact CZ2-CB 3.95Å; M42-L74 HydrophobicContact CE-CD1 4.33Å; M42-L74 HydrophobicContact CE-CD2 3.73Å; M42-L74 HydrophobicContact SD-CD2 3.79Å; I61-L74 HydrophobicContact CB-CD1 4.11Å; I61-L74 HydrophobicContact CG2-CD1 4.36Å; I63-L74 HydrophobicContact CD1-CD1 4.47Å; I63-L74 HydrophobicContact CG1-CD1 3.83Å; L74-Y87 HydrophobicContact CD2-CD1 4.04Å; L74-Y87 HydrophobicContact CD2-CE1 4.24Å
75	Q	96.4	Very high	93.9	Very high	58 Å²	58	56.6 Å²	56.6	27%	0.271	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	121.5	164	-168.6	66.6	51.6	0	0	108.3	L11 S12 I61 S62	L11-Q75 CarbonylContact O-C 3.56Å; L11-Q75 WeakPolarHBondContact O-CA 3.5Å; L11-Q75 PolarHBondContact O-NE2 2.91Å; S12-Q75 VanDerWaalsContact CB-OE1 3.29Å; S12-Q75 PolarHBondContact OG-OE1 2.81Å; I61-Q75 CarbonylContact C-O 3.57Å; I61-Q75 VanDerWaalsContact CA-O 3.22Å; I61-Q75 WeakPolarHBondContact CA-O 3.38Å; S62-Q75 PolarHBondContact N-O 2.97Å; S62-Q75 PolarHBondContact O-N 2.99Å
76	L	95.8	Very high	93.9	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	120	170.5	172	64.5	0	0	0	108.5	S10 L11 R60 I61 V79 D83	S10-L76 CarbonylContact C-O 3.59Å; S10-L76 WeakPolarHBondContact CA-O 3.37Å; S10-L76 WeakPolarHBondContact CB-O 3.4Å; L11-L76 HydrophobicContact CB-CB 4.39Å; L11-L76 PolarHBondContact N-O 2.77Å; L11-L76 PolarHBondContact O-N 2.77Å; R60-L76 HydrophobicContact CB-CD1 4.01Å; I61-L76 HydrophobicContact CG2-CB 4.46Å; I61-L76 HydrophobicContact CG2-CD1 3.57Å; L76-V79 HydrophobicContact CD2-CG1 4.17Å; L76-D83 HydrophobicContact CD2-CB 3.93Å
77	N	94.8	Very high	94	Very high	61 Å²	61	57.2 Å²	57.2	33%	0.326	32%	0.32	S	S	.	.			trans	-95	152.1	-179.9	-63.1	-43.7	0	0	0	111.5	S10 R60	S10-N77 WeakPolarHBondContact CB-OD1 3.29Å; S10-N77 PolarHBondContact OG-OD1 3.34Å; R60-N77 PolarHBondContact O-N 3.07Å
78	S	92.3	Very high	94.1	Very high	73 Å²	73	58.3 Å²	58.3	51%	0.51	32%	0.316	S	S	.	.	S	Bend	trans	53.6	58	177.1	-54	0	0	0	0	111.5	Q9 R60	Q9-S78 PolarHBondContact O-N 3.37Å; Q9-S78 VanDerWaalsContact O-N 3.17Å; R60-S78 PolarHBondContact NH1-O 3.22Å
79	V	92.7	Very high	94.1	Very high	14 Å²	14	56.1 Å²	56.1	9%	0.085	30%	0.301	C	S	.	.			trans	-63.4	138.5	-177.3	-155.1	0	0	0	0	110.1	V5 P7 S8 Q9 L11 L76 D83	V5-V79 HydrophobicContact CG1-CG2 4.09Å; P7-V79 CarbonylContact C-O 3.51Å; P7-V79 WeakPolarHBondContact CA-O 3.48Å; S8-V79 PolarHBondContact N-O 2.86Å; Q9-V79 WeakPolarHBondContact O-CG2 3.36Å; Q9-V79 PolarHBondContact O-N 2.82Å; L11-V79 HydrophobicContact CB-CG2 3.85Å; L76-V79 HydrophobicContact CD2-CG1 4.17Å; V79-D83 HydrophobicContact CG1-CB 3.6Å
80	T	92.1	Very high	94.1	Very high	59 Å²	59	51.8 Å²	51.8	36%	0.362	29%	0.288	S	S	.	.			trans	-119.5	171.1	177.4	65.4	0	0	0	0	110.5	E82 D83	T80-E82 PolarHBondContact O-N 2.83Å; T80-E82 PolarHBondContact OG1-N 3.16Å; T80-D83 PolarHBondContact N-OD2 2.83Å; T80-D83 WeakPolarHBondContact O-CB 3.29Å; T80-D83 PolarHBondContact O-N 3.34Å; T80-D83 PolarHBondContact OG1-OD2 2.99Å
81	T	90.1	Very high	94.1	Very high	112 Å²	112	55.5 Å²	55.5	69%	0.687	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-59.9	-31	173.1	47.5	0	0	0	0	112.3	D83 T84	T81-D83 PolarHBondContact O-N 2.99Å; T81-T84 VanDerWaalsContact O-CB 3.29Å; T81-T84 WeakPolarHBondContact O-CB 3.43Å; T81-T84 PolarHBondContact O-N 2.74Å; T81-T84 VanDerWaalsContact O-N 3.13Å; T81-T84 PolarHBondContact O-OG1 2.77Å
82	E	90.3	Very high	93.8	Very high	155 Å²	155	58.2 Å²	58.2	72%	0.724	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-66.9	-16.3	175.8	-60.8	-179.8	-179.5	0	0	113.1	F34 T80 T84	F34-E82 WeakPolarHBondContact CE1-O 3.05Å; T80-E82 PolarHBondContact O-N 2.83Å; T80-E82 PolarHBondContact OG1-N 3.16Å; E82-T84 VanDerWaalsContact C-N 3.27Å
83	D	92.2	Very high	93.2	Very high	4 Å²	4	64 Å²	64	2%	0.021	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-88.3	4.7	176.2	-58.2	-57.4	0	0	0	112.3	R32 R60 L76 V79 T80 T81 A85 Y87	R32-D83 IonicContact CZ-OD1 3.07Å; R32-D83 IonicContact NH1-OD1 2.69Å; R32-D83 PolarHBondContact NH1-OD1 3.11Å; R32-D83 IonicContact NH2-OD1 2.66Å; R60-D83 IonicContact CZ-OD1 3.92Å; R60-D83 IonicContact CZ-OD2 3.59Å; R60-D83 IonicContact NH1-OD1 3.6Å; R60-D83 PolarHBondContact NH1-OD1 3.03Å; R60-D83 IonicContact NH1-OD2 3.46Å; R60-D83 PolarHBondContact NH1-OD2 2.82Å; R60-D83 IonicContact NH2-OD1 3.59Å; R60-D83 PolarHBondContact NH2-OD1 2.83Å; R60-D83 IonicContact NH2-OD2 2.78Å; L76-D83 HydrophobicContact CD2-CB 3.93Å; V79-D83 HydrophobicContact CG1-CB 3.6Å; T80-D83 PolarHBondContact N-OD2 2.83Å; T80-D83 WeakPolarHBondContact O-CB 3.29Å; T80-D83 PolarHBondContact O-N 3.34Å; T80-D83 PolarHBondContact OG1-OD2 2.99Å; T81-D83 PolarHBondContact O-N 2.99Å; D83-A85 PolarHBondContact O-N 2.99Å; D83-A85 VanDerWaalsContact O-N 3.1Å; D83-Y87 PolarHBondContact O-OH 3.04Å
84	T	92.6	Very high	92	Very high	99 Å²	99	64.1 Å²	64.1	61%	0.607	34%	0.337	S	S	*	.			trans	-70	105.3	175.8	-52.9	0	0	0	0	110.1	T81 E82	T81-T84 VanDerWaalsContact O-CB 3.29Å; T81-T84 WeakPolarHBondContact O-CB 3.43Å; T81-T84 PolarHBondContact O-N 2.74Å; T81-T84 VanDerWaalsContact O-N 3.13Å; T81-T84 PolarHBondContact O-OG1 2.77Å; E82-T84 VanDerWaalsContact C-N 3.27Å
85	A	94.7	Very high	90.1	Very high	24 Å²	24	73 Å²	73	20%	0.198	37%	0.372	C	S	.	.	S	Bend	trans	-155.7	165.2	-176.5	0	0	0	0	0	110.6	R32 Q33 F34 D83 Y87	R32-A85 HydrophobicContact CB-CB 3.84Å; R32-A85 HydrophobicContact CG-CB 4.37Å; Q33-A85 WeakPolarHBondContact O-CA 3.45Å; Q33-A85 WeakPolarHBondContact O-CB 3.49Å; F34-A85 HydrophobicContact CD1-CB 3.93Å; F34-A85 HydrophobicContact CE1-CB 4.01Å; D83-A85 PolarHBondContact O-N 2.99Å; D83-A85 VanDerWaalsContact O-N 3.1Å; A85-Y87 HydrophobicContact CB-CE2 4.11Å; A85-Y87 VanDerWaalsContact O-CD2 3.24Å; A85-Y87 WeakPolarHBondContact O-CD2 3.32Å; A85-Y87 WeakPolarHBondContact O-CE2 3.37Å
86	T	95.3	Very high	87.8	Confident	75 Å²	75	84.4 Å²	84.4	46%	0.46	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	129	162.9	-54.6	0	0	0	0	108.6	R32 Q33 Y88	R32-T86 CarbonylContact C-O 3.46Å; R32-T86 VanDerWaalsContact CA-O 3.31Å; R32-T86 WeakPolarHBondContact CA-O 3.25Å; Q33-T86 PolarHBondContact N-O 3.47Å; Q33-T86 PolarHBondContact O-N 3.02Å; T86-Y88 HydrophobicContact CG2-CD2 4.35Å; T86-Y88 HydrophobicContact CG2-CE1 3.88Å; T86-Y88 HydrophobicContact CG2-CE2 3.63Å; T86-Y88 WeakPolarHBondContact CG2-OH 3.22Å
87	Y	95.8	Very high	87.4	Confident	44 Å²	44	88.7 Å²	88.7	17%	0.173	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	129.7	-178.3	-68.4	-99.8	0	0	0	110.2	L11 L13 R32 M42 L74 D83 A85	L11-Y87 HydrophobicContact CD2-CE2 4.11Å; L13-Y87 HydrophobicContact CD1-CD1 3.62Å; L13-Y87 HydrophobicContact CD1-CD2 4.17Å; L13-Y87 HydrophobicContact CD1-CE1 4.44Å; L13-Y87 HydrophobicContact CD1-CG 3.45Å; L13-Y87 VanDerWaalsContact CD1-CG 3.45Å; R32-Y87 HydrophobicContact CB-CD1 3.85Å; R32-Y87 HydrophobicContact CB-CE1 3.83Å; R32-Y87 HydrophobicContact CB-CG 4.37Å; M42-Y87 HydrophobicContact CE-CE1 3.88Å; M42-Y87 HydrophobicContact SD-CD1 3.74Å; M42-Y87 HydrophobicContact SD-CE1 3.58Å; M42-Y87 VanDerWaalsContact SD-CE1 3.58Å; L74-Y87 HydrophobicContact CD2-CD1 4.04Å; L74-Y87 HydrophobicContact CD2-CE1 4.24Å; D83-Y87 PolarHBondContact O-OH 3.04Å; A85-Y87 HydrophobicContact CB-CE2 4.11Å; A85-Y87 VanDerWaalsContact O-CD2 3.24Å; A85-Y87 WeakPolarHBondContact O-CD2 3.32Å; A85-Y87 WeakPolarHBondContact O-CE2 3.37Å
88	Y	95.7	Very high	87.1	Confident	101 Å²	101	90.1 Å²	90.1	40%	0.396	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	139.1	-178.1	-60.4	-81	0	0	0	110.4	I31 Q33 T86	I31-Y88 PolarHBondContact N-O 3.19Å; I31-Y88 PolarHBondContact O-N 2.72Å; Q33-Y88 HydrophobicContact CB-CD2 4.23Å; Q33-Y88 HydrophobicContact CB-CE2 3.59Å; Q33-Y88 HydrophobicContact CG-CE2 4.47Å; Q33-Y88 VanDerWaalsContact OE1-CE2 3.3Å; Q33-Y88 PolarHBondContact OE1-OH 3.42Å; T86-Y88 HydrophobicContact CG2-CD2 4.35Å; T86-Y88 HydrophobicContact CG2-CE1 3.88Å; T86-Y88 HydrophobicContact CG2-CE2 3.63Å; T86-Y88 WeakPolarHBondContact CG2-OH 3.22Å
89	C	94.4	Very high	86.8	Confident	58 Å²	58	91.1 Å²	91.1	39%	0.392	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	136.2	158.4	43.7	0	0	0	0	110.2	C15 H29 F72	C15-C89 HydrophobicContact CB-CB 3.47Å; C15-C89 VanDerWaalsContact CB-CB 3.47Å; C15-C89 WeakPolarHBondContact CB-SG 3.21Å; C15-C89 WeakPolarHBondContact SG-CB 3.36Å; C15-C89 CovalentContact SG-SG 2.05Å; C15-C89 PolarHBondContact SG-SG 2.85Å; H29-C89 WeakPolarHBondContact O-CA 3.45Å; F72-C89 HydrophobicContact CE1-CB 3.73Å; F72-C89 HydrophobicContact CE2-CB 4.32Å; F72-C89 HydrophobicContact CZ-CB 3.29Å
90	A	94.2	Very high	86.4	Confident	34 Å²	34	95.6 Å²	95.6	28%	0.281	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	151.7	175.9	0	0	0	0	0	110.6	H29 I31	H29-A90 HydrophobicContact CB-CB 4.28Å; H29-A90 PolarHBondContact N-O 3.33Å; H29-A90 PolarHBondContact O-N 3.17Å; I31-A90 HydrophobicContact CD1-CB 3.82Å
91	R	92.8	Very high	86.1	Confident	110 Å²	110	97.9 Å²	97.9	42%	0.415	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	134	176.2	-175.6	-178.7	68.2	-176.4	-1.6	108.8	Y26 W28	Y26-R91 HydrophobicContact CD1-CG 3.61Å; Y26-R91 HydrophobicContact CE1-CG 4.35Å; Y26-R91 HydrophobicContact CG-CG 3.76Å; W28-R91 HydrophobicContact CE3-CB 3.92Å; W28-R91 HydrophobicContact CE3-CG 3.98Å; W28-R91 HydrophobicContact CH2-CB 4.38Å; W28-R91 VanDerWaalsContact CH2-CD 3.44Å; W28-R91 HydrophobicContact CH2-CG 3.8Å; W28-R91 HydrophobicContact CZ2-CG 4.47Å; W28-R91 HydrophobicContact CZ3-CB 3.61Å; W28-R91 HydrophobicContact CZ3-CG 3.51Å
92	H	90.5	Very high	85.8	Confident	100 Å²	100	96.9 Å²	96.9	46%	0.463	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	135.7	171.6	-173.9	-104.1	0	0	0	109.9	Y26 S27 D94	Y26-H92 WeakPolarHBondContact CA-O 3.41Å; Y26-H92 WeakPolarHBondContact CB-O 3.4Å; S27-H92 PolarHBondContact N-O 3.41Å; S27-H92 PolarHBondContact O-N 2.95Å; S27-H92 PolarHBondContact OG-O 3.46Å; H92-D94 IonicContact CE1-OD1 3.71Å; H92-D94 IonicContact CG-OD1 3.85Å; H92-D94 IonicContact ND1-OD1 3.46Å; H92-D94 PolarHBondContact ND1-OD1 3.21Å
93	Y	81.9	Confident	85.5	Confident	122 Å²	122	92.8 Å²	92.8	48%	0.478	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	114.2	172.2	-172.6	-107.9	0	0	0	107.4	Y26 Y95	Y26-Y93 AromaticContact CD1-CD2 3.74Å; Y26-Y93 HydrophobicContact CD1-CD2 3.74Å; Y26-Y93 HydrophobicContact CD1-CG 4.35Å; Y26-Y93 AromaticContact CE1-CD2 3.39Å; Y26-Y93 HydrophobicContact CE1-CD2 3.39Å; Y26-Y93 HydrophobicContact CE1-CE2 4.35Å; Y26-Y93 HydrophobicContact CE1-CG 4.07Å; Y26-Y93 AromaticContact CZ-CD2 3.94Å; Y93-Y95 HydrophobicContact CD1-CD1 4.4Å; Y93-Y95 HydrophobicContact CD1-CD2 4.12Å; Y93-Y95 HydrophobicContact CD1-CE1 4.33Å; Y93-Y95 HydrophobicContact CD1-CE2 4.05Å; Y93-Y95 HydrophobicContact CD1-CG 4.3Å; Y93-Y95 HydrophobicContact CE1-CD1 4.17Å; Y93-Y95 HydrophobicContact CE1-CE1 4.13Å; Y93-Y95 HydrophobicContact CE1-CG 4.45Å; Y93-Y95 PolarHBondContact O-N 3.02Å
94	D	69.2	Low	85	Confident	44 Å²	44	99.6 Å²	99.6	24%	0.235	46%	0.461	C	S	.	.			trans	-83.3	110.3	179.3	-66.4	-33.9	0	0	0	108.2	S27 H46 H92 Y96	S27-D94 WeakPolarHBondContact CB-OD2 3.39Å; S27-D94 PolarHBondContact OG-OD1 3.45Å; S27-D94 VanDerWaalsContact OG-OD1 3.08Å; S27-D94 PolarHBondContact OG-OD2 3.48Å; H46-D94 IonicContact CD2-OD2 2.81Å; H46-D94 PolarHBondContact CD2-OD2 2.95Å; H46-D94 IonicContact NE2-OD2 3.18Å; H92-D94 IonicContact CE1-OD1 3.71Å; H92-D94 IonicContact CG-OD1 3.85Å; H92-D94 IonicContact ND1-OD1 3.46Å; H92-D94 PolarHBondContact ND1-OD1 3.21Å; D94-Y96 VanDerWaalsContact C-N 3.27Å; D94-Y96 PolarHBondContact O-N 2.59Å
95	Y	57.4	Low	84.3	Confident	186 Å²	186	99.7 Å²	99.7	73%	0.729	45%	0.449	S	S	*	.			trans	-74.8	76.7	173	-82.7	-81.7	0	0	0	110.2	Y93	Y93-Y95 HydrophobicContact CD1-CD1 4.4Å; Y93-Y95 HydrophobicContact CD1-CD2 4.12Å; Y93-Y95 HydrophobicContact CD1-CE1 4.33Å; Y93-Y95 HydrophobicContact CD1-CE2 4.05Å; Y93-Y95 HydrophobicContact CD1-CG 4.3Å; Y93-Y95 HydrophobicContact CE1-CD1 4.17Å; Y93-Y95 HydrophobicContact CE1-CE1 4.13Å; Y93-Y95 HydrophobicContact CE1-CG 4.45Å; Y93-Y95 PolarHBondContact O-N 3.02Å
96	Y	50	Low	83.4	Confident	298 Å²	298	106.5 Å²	106.5	100%	1.169	47%	0.472	S	S	*	.			trans	-153.4	0	159.8	-71.7	-66.8	0	0	0	111.2	D94	D94-Y96 VanDerWaalsContact C-N 3.27Å; D94-Y96 PolarHBondContact O-N 2.59Å

Retrieved 96 of 96 residues in 22.3 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).