A0A096NSB7_PAPAN Loading...

Immunoglobulin lambda variable 4-69

AlphaFold DB , UniProt , Accession A0A096NSB7, Species PAPAN (Papio anubis, Olive baboon), Gene IGLV4-69, Length 116 aa.

						>A0A096NSB7_PAPAN|A0A096NSB7|IGLV4-69
QPVLTQSPSASASLGASVKLTCTLSSGHSSYTIAWHQQQQGKAPRYLMWLKSDGSHSKADGIPDRFSGSSSGAERYLTISNLQSEDEADYYCQTWTTDIHTVTQADEEVRQNPQPV
					

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	Q	67.9	Low	85.8	Confident	144 Å²	144	74.5 Å²	74.5	67%	0.673	46%	0.463	S	S	*	.				0	130.2	0	-173.4	164.5	21.5	0	0	107.9	T96 D98	Q1-T96 HydrophobicContact CG-CG2 3.98Å; Q1-D98 PolarHBondContact NE2-O 2.92Å
2	P	80.7	Confident	86.4	Confident	9 Å²	9	71.7 Å²	71.7	6%	0.058	45%	0.452	C	S	.	.			trans	-69.6	144	179	32.1	-36.9	0	0	0	110	Y31 T94	P2-Y31 HydrophobicContact CB-CD2 4.2Å; P2-Y31 HydrophobicContact CB-CE2 3.97Å; P2-Y31 WeakPolarHBondContact CD-OH 3.19Å; P2-Y31 HydrophobicContact CG-CD1 4.26Å; P2-Y31 HydrophobicContact CG-CD2 4.05Å; P2-Y31 HydrophobicContact CG-CE1 3.83Å; P2-Y31 HydrophobicContact CG-CE2 3.64Å; P2-Y31 HydrophobicContact CG-CG 4.38Å; P2-T94 HydrophobicContact CG-CG2 4.05Å
3	V	88	Confident	87	Confident	85 Å²	85	73.2 Å²	73.2	52%	0.515	47%	0.467	S	S	.	.			trans	-109.4	139.5	169.4	178	0	0	0	0	107	L24 S25	V3-L24 CarbonylContact O-C 3.55Å; V3-S25 PolarHBondContact N-OG 3.32Å; V3-S25 PolarHBondContact O-N 3.44Å
4	L	90.6	Very high	87.6	Confident	10 Å²	10	76.5 Å²	76.5	5%	0.052	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	131.2	174.6	-57.9	-177.7	0	0	0	109.6	T23 L24 I33 C92 T94	L4-T23 WeakPolarHBondContact CA-O 3.24Å; L4-L24 HydrophobicContact CD2-CB 4.38Å; L4-L24 HydrophobicContact CD2-CD1 4.08Å; L4-L24 HydrophobicContact CD2-CG 3.61Å; L4-I33 HydrophobicContact CD1-CD1 4.13Å; L4-I33 HydrophobicContact CD2-CD1 3.75Å; L4-C92 WeakPolarHBondContact CD1-O 3.39Å; L4-T94 HydrophobicContact CD1-CG2 4.03Å; L4-T94 HydrophobicContact CD2-CG2 4.28Å; L4-T94 HydrophobicContact CG-CG2 4.21Å
5	T	92.9	Very high	88	Confident	78 Å²	78	74.3 Å²	74.3	48%	0.479	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	142.6	170.8	57.8	0	0	0	0	109.6	C22 T23	T5-C22 CarbonylContact O-C 3.56Å; T5-C22 WeakPolarHBondContact O-CA 3.3Å; T5-T23 PolarHBondContact N-O 2.78Å; T5-T23 PolarHBondContact O-N 3.13Å; T5-T23 PolarHBondContact OG1-O 2.98Å
6	Q	90.8	Very high	88.5	Confident	60 Å²	60	72 Å²	72	28%	0.28	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	152.3	175.2	-71.4	-179.1	-115.4	0	0	109.3	T21 C22 Y90 C92	Q6-T21 WeakPolarHBondContact CA-O 3.42Å; Q6-C22 HydrophobicContact CG-CB 4.25Å; Q6-Y90 PolarHBondContact NE2-O 2.79Å; Q6-C92 VanDerWaalsContact CD-SG 3.59Å; Q6-C92 VanDerWaalsContact CG-SG 3.55Å; Q6-C92 PolarHBondContact OE1-SG 2.76Å; Q6-C92 VanDerWaalsContact OE1-SG 3.37Å
7	S	87.6	Confident	88.9	Confident	72 Å²	72	72.4 Å²	72.4	50%	0.503	47%	0.47	S	S	.	.			trans	-59.5	138.5	165.1	-60.7	0	0	0	0	109.1	S9	S7-S9 PolarHBondContact O-N 3.03Å
8	P	82.1	Confident	89.3	Confident	118 Å²	118	69.2 Å²	69.2	77%	0.766	45%	0.45	S	S	*	.	S	Bend	trans	-63.3	-32.8	-174.5	24.2	-33.6	0	0	0	112.4
9	S	84.4	Confident	89.7	Confident	91 Å²	91	71.7 Å²	71.7	64%	0.636	45%	0.452	S	S	*	.			trans	-155.3	163.2	176.1	63.8	0	0	0	0	111.8	S7	S7-S9 PolarHBondContact O-N 3.03Å
10	A	90	Very high	90.1	Very high	49 Å²	49	69.4 Å²	69.4	41%	0.405	44%	0.436	S	S	.	.			trans	-144.9	142.5	166.7	0	0	0	0	0	108.7	V18 L20	A10-V18 HydrophobicContact CB-CG2 3.64Å; A10-L20 HydrophobicContact CB-CD2 3.55Å
11	S	89.3	Confident	90.4	Very high	104 Å²	104	67.2 Å²	67.2	73%	0.727	42%	0.423	S	S	*	.			trans	-131.9	143.6	179.6	-55.1	0	0	0	0	110.1
12	A	92.8	Very high	91.6	Very high	40 Å²	40	60.3 Å²	60.3	33%	0.331	39%	0.391	S	S	.	.			trans	-151.8	158.3	171.4	0	0	0	0	0	109.6	A16 V18 L82	A12-A16 HydrophobicContact CB-CB 4.19Å; A12-V18 HydrophobicContact CB-CB 4.01Å; A12-L82 HydrophobicContact CB-CD2 4.04Å
13	S	94.3	Very high	92.3	Very high	92 Å²	92	61.6 Å²	61.6	64%	0.643	40%	0.398	S	S	*	.			trans	-72	156.2	174.3	-56.7	0	0	0	0	111.6	G15 A16	S13-G15 PolarHBondContact O-N 3.3Å; S13-A16 WeakPolarHBondContact O-CB 3.28Å; S13-A16 PolarHBondContact O-N 2.67Å
14	L	94.9	Very high	92.5	Very high	119 Å²	119	57.7 Å²	57.7	62%	0.623	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	138.9	170.8	-64.8	178.4	0	0	0	110.7	A16 L82	L14-A16 PolarHBondContact O-N 3.09Å; L14-L82 WeakPolarHBondContact CA-O 3.49Å
15	G	93.3	Very high	92.4	Very high	43 Å²	43	60.6 Å²	60.6	44%	0.443	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	-12.8	-174.9	0	0	0	0	0	115.1	S13 N81 L82	S13-G15 PolarHBondContact O-N 3.3Å; G15-N81 WeakPolarHBondContact CA-OD1 3.44Å; G15-L82 PolarHBondContact N-O 3.26Å
16	A	95.9	Very high	92.2	Very high	38 Å²	38	59.2 Å²	59.2	31%	0.314	39%	0.389	S	S	.	.	S	Bend	trans	-78.2	180	173.4	0	0	0	0	0	111.5	A12 S13 L14 N81 L82	A12-A16 HydrophobicContact CB-CB 4.19Å; S13-A16 WeakPolarHBondContact O-CB 3.28Å; S13-A16 PolarHBondContact O-N 2.67Å; L14-A16 PolarHBondContact O-N 3.09Å; A16-N81 PolarHBondContact O-N 3.42Å; A16-N81 VanDerWaalsContact O-N 3.14Å; A16-L82 WeakPolarHBondContact O-CB 3.28Å; A16-L82 PolarHBondContact O-N 2.84Å
17	S	95.6	Very high	91.9	Very high	78 Å²	78	57.8 Å²	57.8	55%	0.545	39%	0.39	S	S	.	.			trans	-109.4	139.2	173.1	-59.2	0	0	0	0	110.6	I79	S17-I79 CarbonylContact C-O 3.59Å; S17-I79 VanDerWaalsContact CA-O 3.28Å; S17-I79 WeakPolarHBondContact CA-O 3.41Å
18	V	96.3	Very high	91.7	Very high	16 Å²	16	57 Å²	57	10%	0.097	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	143.1	172.1	67.3	0	0	0	0	109.7	A10 A12 L20 T78 I79 L82	A10-V18 HydrophobicContact CB-CG2 3.64Å; A12-V18 HydrophobicContact CB-CB 4.01Å; V18-L20 HydrophobicContact CG2-CD2 4.39Å; V18-T78 WeakPolarHBondContact O-CA 3.22Å; V18-I79 HydrophobicContact CG1-CB 3.97Å; V18-I79 HydrophobicContact CG1-CD1 4.28Å; V18-I79 HydrophobicContact CG1-CG1 4.31Å; V18-I79 PolarHBondContact N-O 2.82Å; V18-I79 PolarHBondContact O-N 2.78Å; V18-L82 HydrophobicContact CG1-CD1 3.88Å; V18-L82 HydrophobicContact CG1-CD2 4.41Å
19	K	96.7	Very high	91.9	Very high	116 Å²	116	56.1 Å²	56.1	50%	0.504	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	118.9	176.4	-173.8	175.5	70.6	169.8	0	109.4	Y76 L77	K19-Y76 HydrophobicContact CD-CD1 3.97Å; K19-Y76 HydrophobicContact CD-CG 4.02Å; K19-Y76 HydrophobicContact CG-CD1 4.24Å; K19-Y76 HydrophobicContact CG-CG 4.36Å; K19-L77 WeakPolarHBondContact CA-O 3.35Å
20	L	97.2	Very high	91.9	Very high	25 Å²	25	55.9 Å²	55.9	13%	0.131	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	144.8	173.9	-54.6	178.7	0	0	0	109.3	A10 V18 W35 Y76 L77 Y90	A10-L20 HydrophobicContact CB-CD2 3.55Å; V18-L20 HydrophobicContact CG2-CD2 4.39Å; L20-W35 HydrophobicContact CB-CH2 3.83Å; L20-W35 HydrophobicContact CB-CZ3 4.17Å; L20-W35 HydrophobicContact CD1-CZ3 4.39Å; L20-Y76 WeakPolarHBondContact O-CA 3.37Å; L20-L77 HydrophobicContact CB-CB 4.35Å; L20-L77 HydrophobicContact CD1-CD2 4.28Å; L20-L77 PolarHBondContact N-O 3.15Å; L20-L77 PolarHBondContact O-N 3.04Å; L20-Y90 HydrophobicContact CD1-CD1 3.89Å; L20-Y90 HydrophobicContact CD1-CD2 3.75Å; L20-Y90 HydrophobicContact CD1-CE2 4.43Å; L20-Y90 HydrophobicContact CD1-CG 3.44Å; L20-Y90 VanDerWaalsContact CD1-CG 3.44Å
21	T	96.2	Very high	91.6	Very high	24 Å²	24	56.3 Å²	56.3	15%	0.147	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	133	-176.9	-56.3	0	0	0	0	110.1	Q6 E74 Y76	Q6-T21 WeakPolarHBondContact CA-O 3.42Å; T21-E74 HydrophobicContact CG2-CB 4.21Å; T21-E74 HydrophobicContact CG2-CG 4.29Å; T21-Y76 HydrophobicContact CG2-CD1 4Å; T21-Y76 HydrophobicContact CG2-CE1 3.8Å; T21-Y76 WeakPolarHBondContact OG1-CD1 2.94Å
22	C	94.8	Very high	91.7	Very high	0 Å²	0	54 Å²	54	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	121.3	168.4	177.6	0	0	0	0	109	T5 Q6 W35 E74 R75 C92	T5-C22 CarbonylContact O-C 3.56Å; T5-C22 WeakPolarHBondContact O-CA 3.3Å; Q6-C22 HydrophobicContact CG-CB 4.25Å; C22-W35 HydrophobicContact CB-CH2 3.87Å; C22-W35 HydrophobicContact CB-CZ2 3.58Å; C22-E74 CarbonylContact O-C 3.55Å; C22-E74 WeakPolarHBondContact O-CA 3.1Å; C22-R75 HydrophobicContact CB-CB 4.45Å; C22-R75 PolarHBondContact N-O 2.99Å; C22-R75 PolarHBondContact O-N 3.28Å; C22-C92 HydrophobicContact CB-CB 3.46Å; C22-C92 VanDerWaalsContact CB-CB 3.46Å; C22-C92 WeakPolarHBondContact CB-SG 3.19Å; C22-C92 WeakPolarHBondContact SG-CB 3.43Å; C22-C92 CovalentContact SG-SG 2.03Å; C22-C92 PolarHBondContact SG-SG 2.98Å
23	T	94.2	Very high	91.7	Very high	36 Å²	36	52.1 Å²	52.1	22%	0.221	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	124.1	-176	-55.3	0	0	0	0	109.7	L4 T5 A73 E74	L4-T23 WeakPolarHBondContact CA-O 3.24Å; T5-T23 PolarHBondContact N-O 2.78Å; T5-T23 PolarHBondContact O-N 3.13Å; T5-T23 PolarHBondContact OG1-O 2.98Å; T23-A73 HydrophobicContact CG2-CB 4.14Å; T23-E74 HydrophobicContact CG2-CG 4.27Å
24	L	91.6	Very high	91.7	Very high	3 Å²	3	48 Å²	48	2%	0.016	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	145.3	172.9	-70.5	75.7	0	0	0	108.6	V3 L4 H28 Y31 I33 A73 R75	V3-L24 CarbonylContact O-C 3.55Å; L4-L24 HydrophobicContact CD2-CB 4.38Å; L4-L24 HydrophobicContact CD2-CD1 4.08Å; L4-L24 HydrophobicContact CD2-CG 3.61Å; L24-H28 VanDerWaalsContact CB-ND1 3.3Å; L24-H28 WeakPolarHBondContact CB-ND1 3.35Å; L24-H28 PolarHBondContact O-CE1 2.82Å; L24-H28 PolarHBondContact O-ND1 3.39Å; L24-H28 VanDerWaalsContact O-ND1 3.13Å; L24-Y31 HydrophobicContact CD2-CD2 4.21Å; L24-Y31 HydrophobicContact CD2-CG 4.22Å; L24-I33 HydrophobicContact CD1-CD1 3.88Å; L24-I33 HydrophobicContact CD1-CG1 3.76Å; L24-I33 HydrophobicContact CD2-CD1 4.16Å; L24-I33 HydrophobicContact CG-CD1 4.14Å; L24-A73 WeakPolarHBondContact CD1-O 3.32Å; L24-A73 PolarHBondContact N-O 3.46Å; L24-R75 HydrophobicContact CD1-CG 3.99Å
25	S	90.5	Very high	91.8	Very high	71 Å²	71	42.4 Å²	42.4	50%	0.497	27%	0.273	S	S	.	.	S	Bend	trans	-82.1	-24	174.2	69.5	0	0	0	0	114.1	V3 H28	V3-S25 PolarHBondContact N-OG 3.32Å; V3-S25 PolarHBondContact O-N 3.44Å; S25-H28 VanDerWaalsContact C-CE1 3.43Å
26	S	87.8	Confident	91.9	Very high	49 Å²	49	41.7 Å²	41.7	34%	0.343	26%	0.259	S	S	.	.	S	Bend	trans	-162.6	166.8	-179.2	56.2	0	0	0	0	111.6	H28	S26-H28 VanDerWaalsContact C-N 3.29Å; S26-H28 WeakPolarHBondContact CA-NE2 3.49Å; S26-H28 PolarHBondContact N-CE1 2.82Å; S26-H28 VanDerWaalsContact N-CE1 3.33Å; S26-H28 PolarHBondContact O-N 3.11Å
27	G	83.6	Confident	92	Very high	29 Å²	29	40.6 Å²	40.6	30%	0.299	25%	0.247	S	C	.	.			trans	67.8	23.9	174.1	0	0	0	0	0	114.8	S29 S30 Y31	G27-S29 PolarHBondContact O-N 3.18Å; G27-S30 PolarHBondContact O-N 2.86Å; G27-S30 PolarHBondContact O-OG 3.25Å; G27-S30 VanDerWaalsContact O-OG 3.1Å; G27-Y31 WeakPolarHBondContact O-CD2 3.43Å; G27-Y31 PolarHBondContact O-N 2.92Å
28	H	84.5	Confident	92	Very high	56 Å²	56	39.5 Å²	39.5	26%	0.259	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-8.2	-170.7	-25.3	-98.2	0	0	0	114.8	L24 S25 S26 S52 G72 A73 R75	L24-H28 VanDerWaalsContact CB-ND1 3.3Å; L24-H28 WeakPolarHBondContact CB-ND1 3.35Å; L24-H28 PolarHBondContact O-CE1 2.82Å; L24-H28 PolarHBondContact O-ND1 3.39Å; L24-H28 VanDerWaalsContact O-ND1 3.13Å; S25-H28 VanDerWaalsContact C-CE1 3.43Å; S26-H28 VanDerWaalsContact C-N 3.29Å; S26-H28 WeakPolarHBondContact CA-NE2 3.49Å; S26-H28 PolarHBondContact N-CE1 2.82Å; S26-H28 VanDerWaalsContact N-CE1 3.33Å; S26-H28 PolarHBondContact O-N 3.11Å; H28-S52 WeakPolarHBondContact O-CB 3.44Å; H28-G72 WeakPolarHBondContact CB-O 3.4Å; H28-A73 WeakPolarHBondContact CE1-CB 3.34Å; H28-A73 VanDerWaalsContact ND1-CA 3.26Å; H28-A73 WeakPolarHBondContact ND1-CA 3.31Å; H28-A73 WeakPolarHBondContact ND1-CB 3.32Å; H28-R75 PolarHBondContact O-NH2 3.09Å
29	S	86.2	Confident	91.7	Very high	100 Å²	100	41.2 Å²	41.2	70%	0.699	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-18.9	173.4	53.6	0	0	0	0	114	G27 S52	G27-S29 PolarHBondContact O-N 3.18Å; S29-S52 PolarHBondContact O-OG 3.3Å
30	S	85.2	Confident	91.4	Very high	86 Å²	86	45.1 Å²	45.1	60%	0.601	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.2	-23.9	-173.6	57.2	0	0	0	0	113.7	G27	G27-S30 PolarHBondContact O-N 2.86Å; G27-S30 PolarHBondContact O-OG 3.25Å; G27-S30 VanDerWaalsContact O-OG 3.1Å
31	Y	83.5	Confident	91.2	Very high	57 Å²	57	48 Å²	48	22%	0.224	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-85	135.1	-176.1	-71.7	-70.7	0	0	0	113.3	P2 L24 G27 T94	P2-Y31 HydrophobicContact CB-CD2 4.2Å; P2-Y31 HydrophobicContact CB-CE2 3.97Å; P2-Y31 WeakPolarHBondContact CD-OH 3.19Å; P2-Y31 HydrophobicContact CG-CD1 4.26Å; P2-Y31 HydrophobicContact CG-CD2 4.05Å; P2-Y31 HydrophobicContact CG-CE1 3.83Å; P2-Y31 HydrophobicContact CG-CE2 3.64Å; P2-Y31 HydrophobicContact CG-CG 4.38Å; L24-Y31 HydrophobicContact CD2-CD2 4.21Å; L24-Y31 HydrophobicContact CD2-CG 4.22Å; G27-Y31 WeakPolarHBondContact O-CD2 3.43Å; G27-Y31 PolarHBondContact O-N 2.92Å; Y31-T94 VanDerWaalsContact CD1-OG1 3.28Å; Y31-T94 WeakPolarHBondContact CD1-OG1 3.49Å
32	T	90.1	Very high	91	Very high	57 Å²	57	52.9 Å²	52.9	35%	0.35	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-94.9	132.7	167.6	-60.4	0	0	0	0	108.8	W49 L50 T94	T32-W49 HydrophobicContact CG2-CB 3.94Å; T32-W49 HydrophobicContact CG2-CD2 4.45Å; T32-W49 HydrophobicContact CG2-CE3 3.99Å; T32-W49 HydrophobicContact CG2-CG 4.48Å; T32-L50 WeakPolarHBondContact CA-O 3.19Å; T32-T94 PolarHBondContact O-OG1 3.35Å
33	I	92.6	Very high	91	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	138.7	176	-64.4	-51.9	0	0	0	110	L4 L24 W49 L50 R75 C92 Q93	L4-I33 HydrophobicContact CD1-CD1 4.13Å; L4-I33 HydrophobicContact CD2-CD1 3.75Å; L24-I33 HydrophobicContact CD1-CD1 3.88Å; L24-I33 HydrophobicContact CD1-CG1 3.76Å; L24-I33 HydrophobicContact CD2-CD1 4.16Å; L24-I33 HydrophobicContact CG-CD1 4.14Å; I33-W49 CarbonylContact O-C 3.57Å; I33-W49 WeakPolarHBondContact O-CA 3.29Å; I33-L50 PolarHBondContact N-O 3.34Å; I33-L50 PolarHBondContact O-N 2.77Å; I33-R75 HydrophobicContact CB-CB 4.35Å; I33-R75 HydrophobicContact CB-CG 3.98Å; I33-R75 HydrophobicContact CG1-CB 4.28Å; I33-R75 HydrophobicContact CG1-CG 3.57Å; I33-R75 HydrophobicContact CG2-CB 4.44Å; I33-C92 HydrophobicContact CG2-CB 3.73Å; I33-Q93 CarbonylContact C-O 3.55Å; I33-Q93 VanDerWaalsContact CA-O 3.31Å; I33-Q93 WeakPolarHBondContact CA-O 3.26Å
34	A	95.1	Very high	91	Very high	6 Å²	6	58.7 Å²	58.7	5%	0.05	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	135.8	168.5	0	0	0	0	0	110.2	Y46 M48 C92 Q93	A34-Y46 HydrophobicContact CB-CD2 4.29Å; A34-Y46 HydrophobicContact CB-CE2 3.74Å; A34-M48 CarbonylContact C-O 3.56Å; A34-M48 VanDerWaalsContact CA-O 3.32Å; A34-M48 WeakPolarHBondContact CA-O 3.43Å; A34-C92 CarbonylContact O-C 3.54Å; A34-C92 WeakPolarHBondContact O-CA 3.4Å; A34-Q93 HydrophobicContact CB-CG 3.69Å; A34-Q93 PolarHBondContact N-O 2.47Å; A34-Q93 PolarHBondContact O-N 3.03Å
35	W	96.9	Very high	91.1	Very high	0 Å²	0	64 Å²	64	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	142.1	171.4	-77.2	97.6	0	0	0	111.4	L20 C22 L47 M48 L77 Y91 C92	L20-W35 HydrophobicContact CB-CH2 3.83Å; L20-W35 HydrophobicContact CB-CZ3 4.17Å; L20-W35 HydrophobicContact CD1-CZ3 4.39Å; C22-W35 HydrophobicContact CB-CH2 3.87Å; C22-W35 HydrophobicContact CB-CZ2 3.58Å; W35-L47 HydrophobicContact CB-CB 4.29Å; W35-L47 HydrophobicContact CB-CD1 4.3Å; W35-L47 WeakPolarHBondContact O-CB 3.35Å; W35-L47 PolarHBondContact O-N 2.88Å; W35-M48 HydrophobicContact CB-CG 4.27Å; W35-M48 PolarHBondContact N-O 2.88Å; W35-L77 HydrophobicContact CB-CD2 4.2Å; W35-L77 HydrophobicContact CD2-CB 3.75Å; W35-L77 HydrophobicContact CD2-CD2 3.98Å; W35-L77 HydrophobicContact CD2-CG 4.46Å; W35-L77 HydrophobicContact CE3-CB 4.24Å; W35-L77 HydrophobicContact CE3-CD2 4Å; W35-L77 HydrophobicContact CG-CB 4.07Å; W35-L77 HydrophobicContact CG-CD2 4.08Å; W35-L77 HydrophobicContact CH2-CB 4.42Å; W35-L77 HydrophobicContact CZ2-CB 3.95Å; W35-Y91 WeakPolarHBondContact CA-O 3.13Å; W35-C92 HydrophobicContact CD2-CB 4.22Å; W35-C92 HydrophobicContact CE3-CB 4.19Å; W35-C92 HydrophobicContact CH2-CB 4.23Å; W35-C92 HydrophobicContact CZ2-CB 4.26Å; W35-C92 HydrophobicContact CZ3-CB 4.2Å
36	H	96.4	Very high	91.4	Very high	29 Å²	29	64.6 Å²	64.6	13%	0.134	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	150.3	174.7	-62.2	-91.3	0	0	0	110.5	P44 R45 Y46 Y90 Y91 Q93	H36-P44 HydrophobicContact CB-CB 4.44Å; H36-R45 CarbonylContact C-O 3.59Å; H36-R45 VanDerWaalsContact CA-O 3.26Å; H36-R45 WeakPolarHBondContact CA-O 3.41Å; H36-Y46 AromaticContact CE1-CD2 3.75Å; H36-Y46 WeakPolarHBondContact ND1-CA 3.43Å; H36-Y90 WeakPolarHBondContact O-CA 3.4Å; H36-Y91 PolarHBondContact N-O 3.33Å; H36-Y91 PolarHBondContact O-N 3.24Å; H36-Q93 PolarHBondContact NE2-NE2 2.89Å
37	Q	96.5	Very high	91.9	Very high	15 Å²	15	62.3 Å²	62.3	7%	0.07	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	134.2	171.4	-176.4	-173	25.9	0	0	109	R45 L47 E85 A88 D89 Y90	Q37-R45 PolarHBondContact N-O 3.31Å; Q37-R45 PolarHBondContact O-N 3Å; Q37-L47 HydrophobicContact CB-CD1 4.01Å; Q37-L47 HydrophobicContact CB-CD2 3.82Å; Q37-L47 HydrophobicContact CB-CG 4.05Å; Q37-E85 PolarHBondContact NE2-O 3.2Å; Q37-A88 HydrophobicContact CG-CB 3.45Å; Q37-A88 VanDerWaalsContact CG-CB 3.45Å; Q37-D89 CarbonylContact C-O 3.53Å; Q37-D89 WeakPolarHBondContact CA-O 3.42Å; Q37-Y90 HydrophobicContact CB-CD1 4.14Å; Q37-Y90 HydrophobicContact CB-CE1 3.87Å; Q37-Y90 HydrophobicContact CG-CD1 4.29Å; Q37-Y90 HydrophobicContact CG-CE1 3.72Å; Q37-Y90 HydrophobicContact CG-CE2 4.49Å; Q37-Y90 PolarHBondContact NE2-OH 3.26Å; Q37-Y90 VanDerWaalsContact NE2-OH 3.09Å
38	Q	95.6	Very high	92.6	Very high	54 Å²	54	60.9 Å²	60.9	25%	0.252	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	111.1	174.1	-170	174.1	6	0	0	110.1	K42 P44 A88 D89 Y91	Q38-K42 VanDerWaalsContact CG-O 3.29Å; Q38-K42 WeakPolarHBondContact CG-O 3.46Å; Q38-K42 PolarHBondContact NE2-O 3.25Å; Q38-P44 HydrophobicContact CG-CG 4.37Å; Q38-A88 WeakPolarHBondContact O-CB 3.41Å; Q38-D89 HydrophobicContact CB-CB 4.48Å; Q38-D89 PolarHBondContact N-O 2.86Å; Q38-D89 PolarHBondContact O-N 3.49Å; Q38-Y91 HydrophobicContact CB-CD2 4.46Å; Q38-Y91 HydrophobicContact CB-CE2 3.75Å
39	Q	91.4	Very high	93.1	Very high	53 Å²	53	61.7 Å²	61.7	25%	0.248	34%	0.343	C	S	.	.			trans	-78.1	151.6	168.1	-69	177.7	-27.1	0	0	109.6	G41 K42 E85 A88	Q39-G41 PolarHBondContact O-N 2.89Å; Q39-K42 HydrophobicContact CB-CB 4.38Å; Q39-K42 HydrophobicContact CB-CD 4.07Å; Q39-K42 HydrophobicContact CB-CG 4.27Å; Q39-K42 WeakPolarHBondContact O-CB 3.43Å; Q39-K42 PolarHBondContact O-N 2.87Å; Q39-E85 PolarHBondContact NE2-O 2.88Å; Q39-A88 HydrophobicContact CG-CB 4.07Å
40	Q	90.1	Very high	93.5	Very high	197 Å²	197	57 Å²	57	92%	0.921	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	128.1	179.7	-167.5	179.3	41.7	0	0	111.4	K42	Q40-K42 PolarHBondContact O-N 3.14Å
41	G	92.6	Very high	94	Very high	86 Å²	86	57.3 Å²	57.3	89%	0.887	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	5.1	-179.7	0	0	0	0	0	115.5	Q39	Q39-G41 PolarHBondContact O-N 2.89Å
42	K	92.6	Very high	94.4	Very high	127 Å²	127	56.9 Å²	56.9	55%	0.552	31%	0.305	S	S	*	.	S	Bend	trans	-108.7	158.4	175.7	-59.3	-167	-172.4	169.2	0	111.6	Q38 Q39 Q40	Q38-K42 VanDerWaalsContact CG-O 3.29Å; Q38-K42 WeakPolarHBondContact CG-O 3.46Å; Q38-K42 PolarHBondContact NE2-O 3.25Å; Q39-K42 HydrophobicContact CB-CB 4.38Å; Q39-K42 HydrophobicContact CB-CD 4.07Å; Q39-K42 HydrophobicContact CB-CG 4.27Å; Q39-K42 WeakPolarHBondContact O-CB 3.43Å; Q39-K42 PolarHBondContact O-N 2.87Å; Q40-K42 PolarHBondContact O-N 3.14Å
43	A	93.4	Very high	94.6	Very high	83 Å²	83	59.9 Å²	59.9	69%	0.686	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-69.6	150.9	169.7	0	0	0	0	0	110.6	R45	A43-R45 PolarHBondContact O-N 3.46Å
44	P	94.3	Very high	94.7	Very high	74 Å²	74	60.8 Å²	60.8	48%	0.481	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-55.3	129.6	172.5	-25.4	34.1	0	0	0	112	H36 Q38	H36-P44 HydrophobicContact CB-CB 4.44Å; Q38-P44 HydrophobicContact CG-CG 4.37Å
45	R	95.4	Very high	94.7	Very high	115 Å²	115	62.6 Å²	62.6	43%	0.434	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	124.5	173.9	-179.6	-177.1	-179.4	-174.4	1.1	109.4	H36 Q37 A43 G61	H36-R45 CarbonylContact C-O 3.59Å; H36-R45 VanDerWaalsContact CA-O 3.26Å; H36-R45 WeakPolarHBondContact CA-O 3.41Å; Q37-R45 PolarHBondContact N-O 3.31Å; Q37-R45 PolarHBondContact O-N 3Å; A43-R45 PolarHBondContact O-N 3.46Å; R45-G61 PolarHBondContact NH2-O 2.94Å
46	Y	96.4	Very high	94.7	Very high	84 Å²	84	65.7 Å²	65.7	33%	0.329	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	132.1	172.3	175.1	-115.4	0	0	0	111.5	A34 H36 M48 W49 A59	A34-Y46 HydrophobicContact CB-CD2 4.29Å; A34-Y46 HydrophobicContact CB-CE2 3.74Å; H36-Y46 AromaticContact CE1-CD2 3.75Å; H36-Y46 WeakPolarHBondContact ND1-CA 3.43Å; Y46-M48 WeakPolarHBondContact CE2-O 3.15Å; Y46-W49 WeakPolarHBondContact OH-CB 3.38Å; Y46-W49 VanDerWaalsContact OH-CD1 3.25Å; Y46-W49 PolarHBondContact OH-N 2.94Å; Y46-A59 HydrophobicContact CD1-CB 3.58Å; Y46-A59 HydrophobicContact CE1-CB 3.89Å
47	L	97.9	Very high	94.7	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	-58.2	-179.6	-59.6	-178.8	0	0	0	112.3	W35 Q37 K58 A59 I62 F66 L77 Y90	W35-L47 HydrophobicContact CB-CB 4.29Å; W35-L47 HydrophobicContact CB-CD1 4.3Å; W35-L47 WeakPolarHBondContact O-CB 3.35Å; W35-L47 PolarHBondContact O-N 2.88Å; Q37-L47 HydrophobicContact CB-CD1 4.01Å; Q37-L47 HydrophobicContact CB-CD2 3.82Å; Q37-L47 HydrophobicContact CB-CG 4.05Å; L47-K58 CarbonylContact O-C 3.4Å; L47-K58 WeakPolarHBondContact O-CA 3.18Å; L47-A59 PolarHBondContact O-N 2.91Å; L47-I62 HydrophobicContact CD2-CD1 3.57Å; L47-F66 HydrophobicContact CD1-CD1 4.23Å; L47-F66 HydrophobicContact CD1-CE1 4.15Å; L47-L77 HydrophobicContact CD1-CD2 3.63Å; L47-Y90 HydrophobicContact CD1-CD1 3.99Å; L47-Y90 HydrophobicContact CD1-CE1 3.91Å
48	M	97.7	Very high	94.8	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	160.7	-172.8	60.2	175.9	75.2	0	0	112.2	A34 W35 Y46 L50 S57 K58 F66 L77	A34-M48 CarbonylContact C-O 3.56Å; A34-M48 VanDerWaalsContact CA-O 3.32Å; A34-M48 WeakPolarHBondContact CA-O 3.43Å; W35-M48 HydrophobicContact CB-CG 4.27Å; W35-M48 PolarHBondContact N-O 2.88Å; Y46-M48 WeakPolarHBondContact CE2-O 3.15Å; M48-L50 HydrophobicContact CG-CD1 3.69Å; M48-L50 HydrophobicContact SD-CD1 3.78Å; M48-L50 HydrophobicContact SD-CG 4.49Å; M48-S57 WeakPolarHBondContact CA-O 3.35Å; M48-S57 WeakPolarHBondContact CB-O 3.42Å; M48-K58 HydrophobicContact CB-CG 4.38Å; M48-K58 HydrophobicContact CE-CD 4.49Å; M48-K58 HydrophobicContact CE-CG 4.09Å; M48-F66 HydrophobicContact CE-CB 3.78Å; M48-L77 HydrophobicContact CE-CD1 3.47Å; M48-L77 VanDerWaalsContact CE-CD1 3.47Å; M48-L77 HydrophobicContact CG-CD1 4.39Å; M48-L77 HydrophobicContact SD-CD1 3.72Å
49	W	95.7	Very high	94.9	Very high	73 Å²	73	68.4 Å²	68.4	28%	0.277	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	148.8	166.2	66.1	-96.9	0	0	0	110.7	T32 I33 Y46 K51 S55 H56 S57	T32-W49 HydrophobicContact CG2-CB 3.94Å; T32-W49 HydrophobicContact CG2-CD2 4.45Å; T32-W49 HydrophobicContact CG2-CE3 3.99Å; T32-W49 HydrophobicContact CG2-CG 4.48Å; I33-W49 CarbonylContact O-C 3.57Å; I33-W49 WeakPolarHBondContact O-CA 3.29Å; Y46-W49 WeakPolarHBondContact OH-CB 3.38Å; Y46-W49 VanDerWaalsContact OH-CD1 3.25Å; Y46-W49 PolarHBondContact OH-N 2.94Å; W49-K51 HydrophobicContact CE3-CD 4.49Å; W49-K51 HydrophobicContact CE3-CG 4.02Å; W49-K51 HydrophobicContact CH2-CD 4.16Å; W49-K51 HydrophobicContact CZ3-CB 4.15Å; W49-K51 HydrophobicContact CZ3-CD 3.61Å; W49-K51 HydrophobicContact CZ3-CG 3.52Å; W49-S55 WeakPolarHBondContact CZ3-O 3.48Å; W49-H56 WeakPolarHBondContact O-CA 3Å; W49-H56 WeakPolarHBondContact O-CB 3.09Å; W49-S57 WeakPolarHBondContact CZ2-OG 3.33Å; W49-S57 PolarHBondContact N-O 2.91Å; W49-S57 VanDerWaalsContact N-O 3.11Å; W49-S57 PolarHBondContact O-N 3Å
50	L	95.1	Very high	95.1	Very high	0 Å²	0	73.5 Å²	73.5	0%	0	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	138.3	177.5	-62.8	77.6	0	0	0	111.1	T32 I33 M48 S55 H56 G68 S69 Y76	T32-L50 WeakPolarHBondContact CA-O 3.19Å; I33-L50 PolarHBondContact N-O 3.34Å; I33-L50 PolarHBondContact O-N 2.77Å; M48-L50 HydrophobicContact CG-CD1 3.69Å; M48-L50 HydrophobicContact SD-CD1 3.78Å; M48-L50 HydrophobicContact SD-CG 4.49Å; L50-S55 WeakPolarHBondContact CA-O 3.23Å; L50-H56 HydrophobicContact CB-CB 4.36Å; L50-H56 HydrophobicContact CG-CB 3.83Å; L50-G68 VanDerWaalsContact CD2-CA 3.47Å; L50-S69 WeakPolarHBondContact CD2-O 3.24Å; L50-Y76 WeakPolarHBondContact CD2-O 3.45Å
51	K	94.1	Very high	95.4	Very high	94 Å²	94	67.2 Å²	67.2	41%	0.409	40%	0.395	S	S	.	.			trans	-99	171.1	170.6	-78.4	173	-172.5	-178.5	0	111.8	W49 D53 G54 S55 S70	W49-K51 HydrophobicContact CE3-CD 4.49Å; W49-K51 HydrophobicContact CE3-CG 4.02Å; W49-K51 HydrophobicContact CH2-CD 4.16Å; W49-K51 HydrophobicContact CZ3-CB 4.15Å; W49-K51 HydrophobicContact CZ3-CD 3.61Å; W49-K51 HydrophobicContact CZ3-CG 3.52Å; K51-D53 WeakPolarHBondContact CB-OD1 3.32Å; K51-D53 PolarHBondContact O-N 2.94Å; K51-G54 PolarHBondContact O-N 3.26Å; K51-S55 PolarHBondContact N-O 2.62Å; K51-S70 PolarHBondContact O-OG 3.45Å
52	S	93.3	Very high	95.7	Very high	47 Å²	47	63.8 Å²	63.8	33%	0.329	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-25.7	-178.8	59.5	0	0	0	0	115.6	H28 S29 G54 R75	H28-S52 WeakPolarHBondContact O-CB 3.44Å; S29-S52 PolarHBondContact O-OG 3.3Å; S52-G54 VanDerWaalsContact C-N 3.26Å; S52-R75 VanDerWaalsContact CB-NH2 3.3Å
53	D	94.6	Very high	95.9	Very high	120 Å²	120	59.8 Å²	59.8	64%	0.642	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	0.4	176.2	61.5	3.9	0	0	0	113.1	K51 S55	K51-D53 WeakPolarHBondContact CB-OD1 3.32Å; K51-D53 PolarHBondContact O-N 2.94Å; D53-S55 VanDerWaalsContact C-N 3.29Å; D53-S55 VanDerWaalsContact OD1-CB 3.23Å; D53-S55 WeakPolarHBondContact OD1-CB 3.26Å; D53-S55 PolarHBondContact OD1-N 3.5Å; D53-S55 PolarHBondContact OD1-OG 3.23Å; D53-S55 PolarHBondContact OD2-OG 2.88Å
54	G	93.6	Very high	96.1	Very high	19 Å²	19	62.7 Å²	62.7	20%	0.196	35%	0.347	C	S	.	.	S	Bend	trans	84.4	-3.3	-176.9	0	0	0	0	0	114.5	K51 S52 H56	K51-G54 PolarHBondContact O-N 3.26Å; S52-G54 VanDerWaalsContact C-N 3.26Å; G54-H56 PolarHBondContact O-ND1 2.87Å; G54-H56 VanDerWaalsContact O-ND1 3.13Å
55	S	95.6	Very high	96.3	Very high	44 Å²	44	61.2 Å²	61.2	31%	0.308	33%	0.332	S	S	.	.			trans	-64	138.3	171.8	66.3	0	0	0	0	110.4	W49 L50 K51 D53	W49-S55 WeakPolarHBondContact CZ3-O 3.48Å; L50-S55 WeakPolarHBondContact CA-O 3.23Å; K51-S55 PolarHBondContact N-O 2.62Å; D53-S55 VanDerWaalsContact C-N 3.29Å; D53-S55 VanDerWaalsContact OD1-CB 3.23Å; D53-S55 WeakPolarHBondContact OD1-CB 3.26Å; D53-S55 PolarHBondContact OD1-N 3.5Å; D53-S55 PolarHBondContact OD1-OG 3.23Å; D53-S55 PolarHBondContact OD2-OG 2.88Å
56	H	96.6	Very high	96.4	Very high	66 Å²	66	56 Å²	56	31%	0.306	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	160.2	-175.7	64.7	-87.5	0	0	0	111.9	W49 L50 G54 G68	W49-H56 WeakPolarHBondContact O-CA 3Å; W49-H56 WeakPolarHBondContact O-CB 3.09Å; L50-H56 HydrophobicContact CB-CB 4.36Å; L50-H56 HydrophobicContact CG-CB 3.83Å; G54-H56 PolarHBondContact O-ND1 2.87Å; G54-H56 VanDerWaalsContact O-ND1 3.13Å; H56-G68 PolarHBondContact CE1-N 2.85Å; H56-G68 PolarHBondContact CE1-O 2.9Å; H56-G68 PolarHBondContact ND1-O 3.43Å; H56-G68 PolarHBondContact NE2-N 2.78Å; H56-G68 VanDerWaalsContact NE2-N 3.18Å
57	S	96.9	Very high	96.5	Very high	58 Å²	58	54.2 Å²	54.2	41%	0.406	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	144.4	167.1	-52.8	0	0	0	0	110.5	M48 W49	M48-S57 WeakPolarHBondContact CA-O 3.35Å; M48-S57 WeakPolarHBondContact CB-O 3.42Å; W49-S57 WeakPolarHBondContact CZ2-OG 3.33Å; W49-S57 PolarHBondContact N-O 2.91Å; W49-S57 VanDerWaalsContact N-O 3.11Å; W49-S57 PolarHBondContact O-N 3Å
58	K	97.9	Very high	96.4	Very high	69 Å²	69	54.7 Å²	54.7	30%	0.3	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	150.5	-179.7	-65.2	-179.1	-69.6	179.7	0	110.4	L47 M48 I62 D64	L47-K58 CarbonylContact O-C 3.4Å; L47-K58 WeakPolarHBondContact O-CA 3.18Å; M48-K58 HydrophobicContact CB-CG 4.38Å; M48-K58 HydrophobicContact CE-CD 4.49Å; M48-K58 HydrophobicContact CE-CG 4.09Å; K58-I62 HydrophobicContact CB-CB 4.14Å; K58-I62 HydrophobicContact CB-CG2 4.38Å; K58-I62 HydrophobicContact CD-CB 4.49Å; K58-I62 HydrophobicContact CD-CG2 4.08Å; K58-I62 HydrophobicContact CG-CG2 4.36Å; K58-D64 IonicContact NZ-OD1 3.46Å; K58-D64 PolarHBondContact NZ-OD1 3.09Å
59	A	97.4	Very high	96.4	Very high	27 Å²	27	57 Å²	57	22%	0.223	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-66.7	159.6	163.6	0	0	0	0	0	110.5	Y46 L47 I62	Y46-A59 HydrophobicContact CD1-CB 3.58Å; Y46-A59 HydrophobicContact CE1-CB 3.89Å; L47-A59 PolarHBondContact O-N 2.91Å; A59-I62 HydrophobicContact CB-CG1 3.84Å; A59-I62 WeakPolarHBondContact O-CB 3.44Å; A59-I62 VanDerWaalsContact O-CG1 3.28Å; A59-I62 WeakPolarHBondContact O-CG1 3.32Å; A59-I62 PolarHBondContact O-N 3.06Å
60	D	96.8	Very high	96.5	Very high	160 Å²	160	54.8 Å²	54.8	86%	0.856	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	139.3	177.5	-66.3	-22.6	0	0	0	111.5	I62	D60-I62 PolarHBondContact O-N 3.23Å
61	G	96.3	Very high	96.5	Very high	66 Å²	66	58.2 Å²	58.2	68%	0.68	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	14.5	179.7	0	0	0	0	0	114.9	R45	R45-G61 PolarHBondContact NH2-O 2.94Å
62	I	97.8	Very high	96.4	Very high	13 Å²	13	56.6 Å²	56.6	7%	0.067	36%	0.363	C	S	.	.			trans	-84.3	121.8	169.2	-60	-64	0	0	0	109.5	L47 K58 A59 D60 F66	L47-I62 HydrophobicContact CD2-CD1 3.57Å; K58-I62 HydrophobicContact CB-CB 4.14Å; K58-I62 HydrophobicContact CB-CG2 4.38Å; K58-I62 HydrophobicContact CD-CB 4.49Å; K58-I62 HydrophobicContact CD-CG2 4.08Å; K58-I62 HydrophobicContact CG-CG2 4.36Å; A59-I62 HydrophobicContact CB-CG1 3.84Å; A59-I62 WeakPolarHBondContact O-CB 3.44Å; A59-I62 VanDerWaalsContact O-CG1 3.28Å; A59-I62 WeakPolarHBondContact O-CG1 3.32Å; A59-I62 PolarHBondContact O-N 3.06Å; D60-I62 PolarHBondContact O-N 3.23Å; I62-F66 HydrophobicContact CG2-CB 3.85Å; I62-F66 HydrophobicContact CG2-CD2 4.18Å; I62-F66 HydrophobicContact CG2-CG 3.98Å
63	P	97.3	Very high	96.4	Very high	44 Å²	44	55.7 Å²	55.7	29%	0.286	36%	0.359	S	S	.	.			trans	-60.6	154	-175.4	-25.9	35.7	0	0	0	114.1	R65 F66	P63-R65 HydrophobicContact CB-CG 4.13Å; P63-R65 PolarHBondContact O-N 3.39Å; P63-R65 VanDerWaalsContact O-N 3.13Å; P63-F66 HydrophobicContact CB-CD2 4.24Å; P63-F66 HydrophobicContact CG-CD2 4.42Å; P63-F66 HydrophobicContact CG-CE2 4.37Å; P63-F66 PolarHBondContact O-N 3.13Å; P63-F66 VanDerWaalsContact O-N 3.09Å
64	D	97.4	Very high	96.5	Very high	144 Å²	144	53.2 Å²	53.2	77%	0.77	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-17.3	178.7	-70.6	-28.7	0	0	0	114.9	K58 F66	K58-D64 IonicContact NZ-OD1 3.46Å; K58-D64 PolarHBondContact NZ-OD1 3.09Å; D64-F66 PolarHBondContact O-N 2.86Å
65	R	98.1	Very high	96.5	Very high	43 Å²	43	52.3 Å²	52.3	16%	0.162	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-18.2	174.1	80.7	178.4	171.6	-95.1	3.1	113.5	P63 I79 S80 D86	P63-R65 HydrophobicContact CB-CG 4.13Å; P63-R65 PolarHBondContact O-N 3.39Å; P63-R65 VanDerWaalsContact O-N 3.13Å; R65-I79 HydrophobicContact CG-CG2 4.18Å; R65-I79 WeakPolarHBondContact O-CA 3.43Å; R65-S80 WeakPolarHBondContact CA-OG 3.49Å; R65-S80 VanDerWaalsContact CB-O 3.24Å; R65-S80 WeakPolarHBondContact CB-O 3.38Å; R65-S80 WeakPolarHBondContact CD-O 3.33Å; R65-S80 PolarHBondContact O-N 3.45Å; R65-S80 PolarHBondContact O-OG 3.28Å; R65-D86 IonicContact CZ-OD1 3.64Å; R65-D86 IonicContact CZ-OD2 2.67Å; R65-D86 IonicContact NE-OD1 2.98Å; R65-D86 PolarHBondContact NE-OD1 2.85Å; R65-D86 IonicContact NE-OD2 2.78Å; R65-D86 PolarHBondContact NE-OD2 2.67Å; R65-D86 IonicContact NH2-OD1 3.5Å; R65-D86 PolarHBondContact NH2-OD1 3.16Å; R65-D86 IonicContact NH2-OD2 3.55Å
66	F	98.3	Very high	96.6	Very high	5 Å²	5	51.5 Å²	51.5	2%	0.022	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	129.8	173.3	-70.1	-104	0	0	0	110.4	L47 M48 I62 P63 D64 L77 T78 I79 D86 Y90	L47-F66 HydrophobicContact CD1-CD1 4.23Å; L47-F66 HydrophobicContact CD1-CE1 4.15Å; M48-F66 HydrophobicContact CE-CB 3.78Å; I62-F66 HydrophobicContact CG2-CB 3.85Å; I62-F66 HydrophobicContact CG2-CD2 4.18Å; I62-F66 HydrophobicContact CG2-CG 3.98Å; P63-F66 HydrophobicContact CB-CD2 4.24Å; P63-F66 HydrophobicContact CG-CD2 4.42Å; P63-F66 HydrophobicContact CG-CE2 4.37Å; P63-F66 PolarHBondContact O-N 3.13Å; P63-F66 VanDerWaalsContact O-N 3.09Å; D64-F66 PolarHBondContact O-N 2.86Å; F66-L77 HydrophobicContact CD1-CD1 4.2Å; F66-T78 CarbonylContact C-O 3.6Å; F66-T78 WeakPolarHBondContact CA-O 3.38Å; F66-I79 HydrophobicContact CD1-CD1 4.22Å; F66-I79 HydrophobicContact CD1-CG1 3.84Å; F66-I79 HydrophobicContact CE1-CD1 3.56Å; F66-I79 HydrophobicContact CE1-CG1 3.68Å; F66-I79 HydrophobicContact CE1-CG2 4.28Å; F66-I79 HydrophobicContact CE2-CG2 4.21Å; F66-I79 HydrophobicContact CZ-CD1 4.06Å; F66-I79 HydrophobicContact CZ-CG1 4.29Å; F66-I79 HydrophobicContact CZ-CG2 4.06Å; F66-D86 WeakPolarHBondContact CZ-OD1 3.45Å; F66-Y90 HydrophobicContact CE1-CE1 4.24Å
67	S	97.8	Very high	96.6	Very high	46 Å²	46	48.3 Å²	48.3	32%	0.322	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	151.3	178.1	58.1	0	0	0	0	112.4	T78	S67-T78 PolarHBondContact N-O 3.44Å; S67-T78 PolarHBondContact O-N 2.96Å; S67-T78 PolarHBondContact OG-O 2.96Å
68	G	97.4	Very high	96.7	Very high	10 Å²	10	47 Å²	47	10%	0.103	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	144.4	177.3	0	0	0	0	0	112.9	L50 H56 Y76	L50-G68 VanDerWaalsContact CD2-CA 3.47Å; H56-G68 PolarHBondContact CE1-N 2.85Å; H56-G68 PolarHBondContact CE1-O 2.9Å; H56-G68 PolarHBondContact ND1-O 3.43Å; H56-G68 PolarHBondContact NE2-N 2.78Å; H56-G68 VanDerWaalsContact NE2-N 3.18Å; G68-Y76 WeakPolarHBondContact CA-O 3.3Å
69	S	97.3	Very high	96.7	Very high	48 Å²	48	43.8 Å²	43.8	34%	0.336	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	169.5	167.9	59.7	0	0	0	0	111.6	L50 Y76	L50-S69 WeakPolarHBondContact CD2-O 3.24Å; S69-Y76 PolarHBondContact N-O 2.83Å; S69-Y76 VanDerWaalsContact N-O 3.09Å; S69-Y76 PolarHBondContact O-N 2.85Å; S69-Y76 WeakPolarHBondContact OG-CD2 3.41Å
70	S	96.5	Very high	96.7	Very high	28 Å²	28	44.7 Å²	44.7	20%	0.196	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	144.8	-174.4	-59.4	0	0	0	0	111.6	K51 E74 R75	K51-S70 PolarHBondContact O-OG 3.45Å; S70-E74 WeakPolarHBondContact CA-O 3.31Å; S70-R75 WeakPolarHBondContact OG-CD 3.28Å
71	S	94.8	Very high	96.8	Very high	71 Å²	71	41.4 Å²	41.4	50%	0.497	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	112.2	174.7	-177.4	0	0	0	0	109.7	A73 E74	S71-A73 PolarHBondContact O-N 2.91Å; S71-E74 PolarHBondContact N-O 3.06Å; S71-E74 WeakPolarHBondContact O-CB 3.4Å; S71-E74 PolarHBondContact O-N 2.75Å
72	G	93.2	Very high	96.8	Very high	60 Å²	60	39.5 Å²	39.5	62%	0.619	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.2	-113.4	-177.8	0	0	0	0	0	112.4	H28 E74 R75	H28-G72 WeakPolarHBondContact CB-O 3.4Å; G72-E74 VanDerWaalsContact C-N 3.3Å; G72-E74 PolarHBondContact O-N 2.87Å; G72-R75 PolarHBondContact O-NH1 2.86Å
73	A	93.1	Very high	96.7	Very high	29 Å²	29	42.2 Å²	42.2	24%	0.24	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-13	-179.5	0	0	0	0	0	115.1	T23 L24 H28 S71	T23-A73 HydrophobicContact CG2-CB 4.14Å; L24-A73 WeakPolarHBondContact CD1-O 3.32Å; L24-A73 PolarHBondContact N-O 3.46Å; H28-A73 WeakPolarHBondContact CE1-CB 3.34Å; H28-A73 VanDerWaalsContact ND1-CA 3.26Å; H28-A73 WeakPolarHBondContact ND1-CA 3.31Å; H28-A73 WeakPolarHBondContact ND1-CB 3.32Å; S71-A73 PolarHBondContact O-N 2.91Å
74	E	95.4	Very high	96.5	Very high	68 Å²	68	43.3 Å²	43.3	32%	0.318	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	144.6	-167.7	-54.5	-171.2	142	0	0	111.6	T21 C22 T23 S70 S71 G72 Y76	T21-E74 HydrophobicContact CG2-CB 4.21Å; T21-E74 HydrophobicContact CG2-CG 4.29Å; C22-E74 CarbonylContact O-C 3.55Å; C22-E74 WeakPolarHBondContact O-CA 3.1Å; T23-E74 HydrophobicContact CG2-CG 4.27Å; S70-E74 WeakPolarHBondContact CA-O 3.31Å; S71-E74 PolarHBondContact N-O 3.06Å; S71-E74 WeakPolarHBondContact O-CB 3.4Å; S71-E74 PolarHBondContact O-N 2.75Å; G72-E74 VanDerWaalsContact C-N 3.3Å; G72-E74 PolarHBondContact O-N 2.87Å; E74-Y76 HydrophobicContact CB-CE1 3.81Å; E74-Y76 HydrophobicContact CB-CE2 4.25Å; E74-Y76 WeakPolarHBondContact OE2-CE1 3.42Å; E74-Y76 VanDerWaalsContact OE2-CZ 3.22Å; E74-Y76 PolarHBondContact OE2-OH 2.86Å
75	R	94.6	Very high	96.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	128	170	-60.2	-59.4	179.3	-89.9	-9.3	108.1	C22 L24 H28 I33 S52 S70 G72	C22-R75 HydrophobicContact CB-CB 4.45Å; C22-R75 PolarHBondContact N-O 2.99Å; C22-R75 PolarHBondContact O-N 3.28Å; L24-R75 HydrophobicContact CD1-CG 3.99Å; H28-R75 PolarHBondContact O-NH2 3.09Å; I33-R75 HydrophobicContact CB-CB 4.35Å; I33-R75 HydrophobicContact CB-CG 3.98Å; I33-R75 HydrophobicContact CG1-CB 4.28Å; I33-R75 HydrophobicContact CG1-CG 3.57Å; I33-R75 HydrophobicContact CG2-CB 4.44Å; S52-R75 VanDerWaalsContact CB-NH2 3.3Å; S70-R75 WeakPolarHBondContact OG-CD 3.28Å; G72-R75 PolarHBondContact O-NH1 2.86Å
76	Y	97.1	Very high	96.2	Very high	26 Å²	26	39.4 Å²	39.4	10%	0.102	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	137.3	-176.4	-46.3	-76	0	0	0	111.2	K19 L20 T21 L50 G68 S69 E74	K19-Y76 HydrophobicContact CD-CD1 3.97Å; K19-Y76 HydrophobicContact CD-CG 4.02Å; K19-Y76 HydrophobicContact CG-CD1 4.24Å; K19-Y76 HydrophobicContact CG-CG 4.36Å; L20-Y76 WeakPolarHBondContact O-CA 3.37Å; T21-Y76 HydrophobicContact CG2-CD1 4Å; T21-Y76 HydrophobicContact CG2-CE1 3.8Å; T21-Y76 WeakPolarHBondContact OG1-CD1 2.94Å; L50-Y76 WeakPolarHBondContact CD2-O 3.45Å; G68-Y76 WeakPolarHBondContact CA-O 3.3Å; S69-Y76 PolarHBondContact N-O 2.83Å; S69-Y76 VanDerWaalsContact N-O 3.09Å; S69-Y76 PolarHBondContact O-N 2.85Å; S69-Y76 WeakPolarHBondContact OG-CD2 3.41Å; E74-Y76 HydrophobicContact CB-CE1 3.81Å; E74-Y76 HydrophobicContact CB-CE2 4.25Å; E74-Y76 WeakPolarHBondContact OE2-CE1 3.42Å; E74-Y76 VanDerWaalsContact OE2-CZ 3.22Å; E74-Y76 PolarHBondContact OE2-OH 2.86Å
77	L	97.8	Very high	96	Very high	0 Å²	0	43 Å²	43	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	122.2	162.2	177.4	63.6	0	0	0	107.8	K19 L20 W35 L47 M48 F66 I79 Y90	K19-L77 WeakPolarHBondContact CA-O 3.35Å; L20-L77 HydrophobicContact CB-CB 4.35Å; L20-L77 HydrophobicContact CD1-CD2 4.28Å; L20-L77 PolarHBondContact N-O 3.15Å; L20-L77 PolarHBondContact O-N 3.04Å; W35-L77 HydrophobicContact CB-CD2 4.2Å; W35-L77 HydrophobicContact CD2-CB 3.75Å; W35-L77 HydrophobicContact CD2-CD2 3.98Å; W35-L77 HydrophobicContact CD2-CG 4.46Å; W35-L77 HydrophobicContact CE3-CB 4.24Å; W35-L77 HydrophobicContact CE3-CD2 4Å; W35-L77 HydrophobicContact CG-CB 4.07Å; W35-L77 HydrophobicContact CG-CD2 4.08Å; W35-L77 HydrophobicContact CH2-CB 4.42Å; W35-L77 HydrophobicContact CZ2-CB 3.95Å; L47-L77 HydrophobicContact CD1-CD2 3.63Å; M48-L77 HydrophobicContact CE-CD1 3.47Å; M48-L77 VanDerWaalsContact CE-CD1 3.47Å; M48-L77 HydrophobicContact CG-CD1 4.39Å; M48-L77 HydrophobicContact SD-CD1 3.72Å; F66-L77 HydrophobicContact CD1-CD1 4.2Å; L77-I79 HydrophobicContact CG-CG1 4.49Å; L77-Y90 HydrophobicContact CD2-CD1 3.78Å; L77-Y90 HydrophobicContact CD2-CE1 4.11Å
78	T	98	Very high	96	Very high	30 Å²	30	41.6 Å²	41.6	18%	0.184	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128.3	174.7	-62.2	0	0	0	0	109.5	V18 F66 S67	V18-T78 WeakPolarHBondContact O-CA 3.22Å; F66-T78 CarbonylContact C-O 3.6Å; F66-T78 WeakPolarHBondContact CA-O 3.38Å; S67-T78 PolarHBondContact N-O 3.44Å; S67-T78 PolarHBondContact O-N 2.96Å; S67-T78 PolarHBondContact OG-O 2.96Å
79	I	98.3	Very high	95.9	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	108.5	172.7	-46.8	175.3	0	0	0	106.1	S17 V18 R65 F66 L77 L82 Y90	S17-I79 CarbonylContact C-O 3.59Å; S17-I79 VanDerWaalsContact CA-O 3.28Å; S17-I79 WeakPolarHBondContact CA-O 3.41Å; V18-I79 HydrophobicContact CG1-CB 3.97Å; V18-I79 HydrophobicContact CG1-CD1 4.28Å; V18-I79 HydrophobicContact CG1-CG1 4.31Å; V18-I79 PolarHBondContact N-O 2.82Å; V18-I79 PolarHBondContact O-N 2.78Å; R65-I79 HydrophobicContact CG-CG2 4.18Å; R65-I79 WeakPolarHBondContact O-CA 3.43Å; F66-I79 HydrophobicContact CD1-CD1 4.22Å; F66-I79 HydrophobicContact CD1-CG1 3.84Å; F66-I79 HydrophobicContact CE1-CD1 3.56Å; F66-I79 HydrophobicContact CE1-CG1 3.68Å; F66-I79 HydrophobicContact CE1-CG2 4.28Å; F66-I79 HydrophobicContact CE2-CG2 4.21Å; F66-I79 HydrophobicContact CZ-CD1 4.06Å; F66-I79 HydrophobicContact CZ-CG1 4.29Å; F66-I79 HydrophobicContact CZ-CG2 4.06Å; L77-I79 HydrophobicContact CG-CG1 4.49Å; I79-L82 HydrophobicContact CB-CD1 4.25Å; I79-L82 HydrophobicContact CD1-CD1 4.44Å; I79-L82 HydrophobicContact CG2-CD1 3.93Å; I79-Y90 HydrophobicContact CD1-CE1 3.85Å; I79-Y90 HydrophobicContact CD1-CE2 4.41Å; I79-Y90 WeakPolarHBondContact CD1-OH 3.44Å
80	S	98.2	Very high	95.9	Very high	46 Å²	46	43.7 Å²	43.7	32%	0.322	26%	0.257	S	S	.	.	S	Bend	trans	-84.1	160.7	170.7	62.1	0	0	0	0	110.2	R65 L82	R65-S80 WeakPolarHBondContact CA-OG 3.49Å; R65-S80 VanDerWaalsContact CB-O 3.24Å; R65-S80 WeakPolarHBondContact CB-O 3.38Å; R65-S80 WeakPolarHBondContact CD-O 3.33Å; R65-S80 PolarHBondContact O-N 3.45Å; R65-S80 PolarHBondContact O-OG 3.28Å; S80-L82 VanDerWaalsContact C-N 3.33Å; S80-L82 PolarHBondContact O-N 3.22Å
81	N	97.3	Very high	95.7	Very high	92 Å²	92	45.6 Å²	45.6	49%	0.492	26%	0.261	S	S	.	.	S	Bend	trans	46.6	55.1	178.3	-171.4	36.1	0	0	0	112.9	G15 A16 Q83	G15-N81 WeakPolarHBondContact CA-OD1 3.44Å; A16-N81 PolarHBondContact O-N 3.42Å; A16-N81 VanDerWaalsContact O-N 3.14Å; N81-Q83 WeakPolarHBondContact O-CG 3.06Å; N81-Q83 PolarHBondContact O-N 3.05Å
82	L	96.7	Very high	95.7	Very high	26 Å²	26	42.7 Å²	42.7	14%	0.136	24%	0.24	C	C	.	.			trans	-54.6	132.7	-172.2	-170.7	69	0	0	0	111.7	A12 L14 G15 A16 V18 I79 S80 D86	A12-L82 HydrophobicContact CB-CD2 4.04Å; L14-L82 WeakPolarHBondContact CA-O 3.49Å; G15-L82 PolarHBondContact N-O 3.26Å; A16-L82 WeakPolarHBondContact O-CB 3.28Å; A16-L82 PolarHBondContact O-N 2.84Å; V18-L82 HydrophobicContact CG1-CD1 3.88Å; V18-L82 HydrophobicContact CG1-CD2 4.41Å; I79-L82 HydrophobicContact CB-CD1 4.25Å; I79-L82 HydrophobicContact CD1-CD1 4.44Å; I79-L82 HydrophobicContact CG2-CD1 3.93Å; S80-L82 VanDerWaalsContact C-N 3.33Å; S80-L82 PolarHBondContact O-N 3.22Å; L82-D86 HydrophobicContact CD1-CB 3.52Å; L82-D86 HydrophobicContact CG-CB 4.42Å
83	Q	96.5	Very high	95.6	Very high	70 Å²	70	43 Å²	43	33%	0.327	23%	0.226	S	C	.	.			trans	-113.7	163.5	-178.6	-52.8	-169.7	-45.6	0	0	111.7	N81 E85 D86	N81-Q83 WeakPolarHBondContact O-CG 3.06Å; N81-Q83 PolarHBondContact O-N 3.05Å; Q83-E85 VanDerWaalsContact CB-OE2 3.3Å; Q83-E85 WeakPolarHBondContact CB-OE2 2.98Å; Q83-E85 PolarHBondContact O-N 2.97Å; Q83-D86 PolarHBondContact N-OD2 3.37Å; Q83-D86 WeakPolarHBondContact O-CB 2.98Å; Q83-D86 PolarHBondContact O-N 2.67Å
84	S	93.4	Very high	95.3	Very high	66 Å²	66	42.5 Å²	42.5	46%	0.462	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-57.8	-32.7	176.4	30.6	0	0	0	0	112.8	D86 E87	S84-D86 PolarHBondContact O-N 2.03Å; S84-E87 WeakPolarHBondContact O-CB 3.4Å; S84-E87 PolarHBondContact O-N 3.4Å
85	E	92.7	Very high	94.3	Very high	98 Å²	98	48.9 Å²	48.9	46%	0.458	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-74.5	-14	-179.8	-52.3	72.3	-126.8	0	0	112.7	Q37 Q39 Q83 E87	Q37-E85 PolarHBondContact NE2-O 3.2Å; Q39-E85 PolarHBondContact NE2-O 2.88Å; Q83-E85 VanDerWaalsContact CB-OE2 3.3Å; Q83-E85 WeakPolarHBondContact CB-OE2 2.98Å; Q83-E85 PolarHBondContact O-N 2.97Å; E85-E87 VanDerWaalsContact C-N 3.25Å
86	D	95.4	Very high	92.9	Very high	7 Å²	7	50.2 Å²	50.2	4%	0.037	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-82	-7	178.4	-58.1	-34.2	0	0	0	111.7	R65 F66 L82 Q83 S84 A88 Y90	R65-D86 IonicContact CZ-OD1 3.64Å; R65-D86 IonicContact CZ-OD2 2.67Å; R65-D86 IonicContact NE-OD1 2.98Å; R65-D86 PolarHBondContact NE-OD1 2.85Å; R65-D86 IonicContact NE-OD2 2.78Å; R65-D86 PolarHBondContact NE-OD2 2.67Å; R65-D86 IonicContact NH2-OD1 3.5Å; R65-D86 PolarHBondContact NH2-OD1 3.16Å; R65-D86 IonicContact NH2-OD2 3.55Å; F66-D86 WeakPolarHBondContact CZ-OD1 3.45Å; L82-D86 HydrophobicContact CD1-CB 3.52Å; L82-D86 HydrophobicContact CG-CB 4.42Å; Q83-D86 PolarHBondContact N-OD2 3.37Å; Q83-D86 WeakPolarHBondContact O-CB 2.98Å; Q83-D86 PolarHBondContact O-N 2.67Å; S84-D86 PolarHBondContact O-N 2.03Å; D86-A88 PolarHBondContact O-N 3.05Å; D86-A88 VanDerWaalsContact O-N 3.16Å; D86-Y90 VanDerWaalsContact O-CE2 3.3Å; D86-Y90 WeakPolarHBondContact O-CE2 3.39Å; D86-Y90 PolarHBondContact O-OH 2.79Å
87	E	95.5	Very high	90.6	Very high	81 Å²	81	55.4 Å²	55.4	38%	0.379	28%	0.284	S	S	.	.			trans	-67	105.7	169.5	-176.9	166.6	-179.3	0	0	110.3	S84 E85 V109 Q111	S84-E87 WeakPolarHBondContact O-CB 3.4Å; S84-E87 PolarHBondContact O-N 3.4Å; E85-E87 VanDerWaalsContact C-N 3.25Å; E87-V109 HydrophobicContact CG-CB 4.35Å; E87-V109 HydrophobicContact CG-CG1 3.84Å; E87-V109 VanDerWaalsContact OE1-CG1 3.31Å; E87-V109 WeakPolarHBondContact OE1-CG1 3.41Å; E87-Q111 PolarHBondContact OE2-NE2 2.97Å
88	A	95.9	Very high	88.4	Confident	16 Å²	16	61.5 Å²	61.5	13%	0.132	32%	0.317	C	S	.	.	S	Bend	trans	-167.3	166.4	-172	0	0	0	0	0	110.6	Q37 Q38 Q39 D86 Y90	Q37-A88 HydrophobicContact CG-CB 3.45Å; Q37-A88 VanDerWaalsContact CG-CB 3.45Å; Q38-A88 WeakPolarHBondContact O-CB 3.41Å; Q39-A88 HydrophobicContact CG-CB 4.07Å; D86-A88 PolarHBondContact O-N 3.05Å; D86-A88 VanDerWaalsContact O-N 3.16Å; A88-Y90 HydrophobicContact CB-CD2 4.5Å; A88-Y90 HydrophobicContact CB-CE2 3.94Å; A88-Y90 VanDerWaalsContact O-CD2 3.24Å; A88-Y90 WeakPolarHBondContact O-CD2 3.5Å; A88-Y90 WeakPolarHBondContact O-CE2 3.47Å
89	D	96.3	Very high	86.2	Confident	72 Å²	72	66 Å²	66	39%	0.385	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	140.7	163.3	-61.9	-50.4	0	0	0	110.2	Q37 Q38 Y91	Q37-D89 CarbonylContact C-O 3.53Å; Q37-D89 WeakPolarHBondContact CA-O 3.42Å; Q38-D89 HydrophobicContact CB-CB 4.48Å; Q38-D89 PolarHBondContact N-O 2.86Å; Q38-D89 PolarHBondContact O-N 3.49Å; D89-Y91 HydrophobicContact CB-CE1 4.21Å; D89-Y91 HydrophobicContact CB-CE2 3.68Å; D89-Y91 VanDerWaalsContact CB-CZ 3.41Å; D89-Y91 WeakPolarHBondContact CB-OH 3.3Å; D89-Y91 PolarHBondContact OD2-OH 3.3Å
90	Y	96.5	Very high	83.5	Confident	30 Å²	30	74.2 Å²	74.2	12%	0.118	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	127.9	179.5	-70	-95.4	0	0	0	110.7	Q6 L20 H36 Q37 L47 F66 L77 I79 D86 A88	Q6-Y90 PolarHBondContact NE2-O 2.79Å; L20-Y90 HydrophobicContact CD1-CD1 3.89Å; L20-Y90 HydrophobicContact CD1-CD2 3.75Å; L20-Y90 HydrophobicContact CD1-CE2 4.43Å; L20-Y90 HydrophobicContact CD1-CG 3.44Å; L20-Y90 VanDerWaalsContact CD1-CG 3.44Å; H36-Y90 WeakPolarHBondContact O-CA 3.4Å; Q37-Y90 HydrophobicContact CB-CD1 4.14Å; Q37-Y90 HydrophobicContact CB-CE1 3.87Å; Q37-Y90 HydrophobicContact CG-CD1 4.29Å; Q37-Y90 HydrophobicContact CG-CE1 3.72Å; Q37-Y90 HydrophobicContact CG-CE2 4.49Å; Q37-Y90 PolarHBondContact NE2-OH 3.26Å; Q37-Y90 VanDerWaalsContact NE2-OH 3.09Å; L47-Y90 HydrophobicContact CD1-CD1 3.99Å; L47-Y90 HydrophobicContact CD1-CE1 3.91Å; F66-Y90 HydrophobicContact CE1-CE1 4.24Å; L77-Y90 HydrophobicContact CD2-CD1 3.78Å; L77-Y90 HydrophobicContact CD2-CE1 4.11Å; I79-Y90 HydrophobicContact CD1-CE1 3.85Å; I79-Y90 HydrophobicContact CD1-CE2 4.41Å; I79-Y90 WeakPolarHBondContact CD1-OH 3.44Å; D86-Y90 VanDerWaalsContact O-CE2 3.3Å; D86-Y90 WeakPolarHBondContact O-CE2 3.39Å; D86-Y90 PolarHBondContact O-OH 2.79Å; A88-Y90 HydrophobicContact CB-CD2 4.5Å; A88-Y90 HydrophobicContact CB-CE2 3.94Å; A88-Y90 VanDerWaalsContact O-CD2 3.24Å; A88-Y90 WeakPolarHBondContact O-CD2 3.5Å; A88-Y90 WeakPolarHBondContact O-CE2 3.47Å
91	Y	93.6	Very high	81.1	Confident	68 Å²	68	76.5 Å²	76.5	27%	0.267	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	136.1	-176.2	-48.3	-77.3	0	0	0	110.7	W35 H36 Q38 D89	W35-Y91 WeakPolarHBondContact CA-O 3.13Å; H36-Y91 PolarHBondContact N-O 3.33Å; H36-Y91 PolarHBondContact O-N 3.24Å; Q38-Y91 HydrophobicContact CB-CD2 4.46Å; Q38-Y91 HydrophobicContact CB-CE2 3.75Å; D89-Y91 HydrophobicContact CB-CE1 4.21Å; D89-Y91 HydrophobicContact CB-CE2 3.68Å; D89-Y91 VanDerWaalsContact CB-CZ 3.41Å; D89-Y91 WeakPolarHBondContact CB-OH 3.3Å; D89-Y91 PolarHBondContact OD2-OH 3.3Å
92	C	94.1	Very high	78.4	Confident	10 Å²	10	78.5 Å²	78.5	7%	0.068	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	141.1	166.2	70.4	0	0	0	0	110.6	L4 Q6 C22 I33 A34 W35	L4-C92 WeakPolarHBondContact CD1-O 3.39Å; Q6-C92 VanDerWaalsContact CD-SG 3.59Å; Q6-C92 VanDerWaalsContact CG-SG 3.55Å; Q6-C92 PolarHBondContact OE1-SG 2.76Å; Q6-C92 VanDerWaalsContact OE1-SG 3.37Å; C22-C92 HydrophobicContact CB-CB 3.46Å; C22-C92 VanDerWaalsContact CB-CB 3.46Å; C22-C92 WeakPolarHBondContact CB-SG 3.19Å; C22-C92 WeakPolarHBondContact SG-CB 3.43Å; C22-C92 CovalentContact SG-SG 2.03Å; C22-C92 PolarHBondContact SG-SG 2.98Å; I33-C92 HydrophobicContact CG2-CB 3.73Å; A34-C92 CarbonylContact O-C 3.54Å; A34-C92 WeakPolarHBondContact O-CA 3.4Å; W35-C92 HydrophobicContact CD2-CB 4.22Å; W35-C92 HydrophobicContact CE3-CB 4.19Å; W35-C92 HydrophobicContact CH2-CB 4.23Å; W35-C92 HydrophobicContact CZ2-CB 4.26Å; W35-C92 HydrophobicContact CZ3-CB 4.2Å
93	Q	90.6	Very high	75.7	Confident	66 Å²	66	81.1 Å²	81.1	31%	0.308	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	153.3	173.8	70.8	172.6	6.6	0	0	110.4	I33 A34 H36	I33-Q93 CarbonylContact C-O 3.55Å; I33-Q93 VanDerWaalsContact CA-O 3.31Å; I33-Q93 WeakPolarHBondContact CA-O 3.26Å; A34-Q93 HydrophobicContact CB-CG 3.69Å; A34-Q93 PolarHBondContact N-O 2.47Å; A34-Q93 PolarHBondContact O-N 3.03Å; H36-Q93 PolarHBondContact NE2-NE2 2.89Å
94	T	87.1	Confident	72.8	Confident	19 Å²	19	84.5 Å²	84.5	12%	0.117	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	145.3	168.5	-173.5	0	0	0	0	108.1	P2 L4 Y31 T32 T96	P2-T94 HydrophobicContact CG-CG2 4.05Å; L4-T94 HydrophobicContact CD1-CG2 4.03Å; L4-T94 HydrophobicContact CD2-CG2 4.28Å; L4-T94 HydrophobicContact CG-CG2 4.21Å; Y31-T94 VanDerWaalsContact CD1-OG1 3.28Å; Y31-T94 WeakPolarHBondContact CD1-OG1 3.49Å; T32-T94 PolarHBondContact O-OG1 3.35Å; T94-T96 PolarHBondContact O-N 2.79Å
95	W	74.5	Confident	70.1	Confident	203 Å²	203	84.3 Å²	84.3	77%	0.769	44%	0.439	S	S	*	.			trans	-86.3	91.4	169.3	-57.2	-17.2	0	0	0	107.3
96	T	64.4	Low	67.6	Low	28 Å²	28	85.6 Å²	85.6	17%	0.172	45%	0.449	C	S	.	.			trans	-68.1	137.1	155.5	-36.2	0	0	0	0	105.9	Q1 T94 D98	Q1-T96 HydrophobicContact CG-CG2 3.98Å; T94-T96 PolarHBondContact O-N 2.79Å; T96-D98 WeakPolarHBondContact CB-O 3.49Å; T96-D98 PolarHBondContact O-N 3.1Å
97	T	50.6	Low	64.8	Low	135 Å²	135	94 Å²	94	83%	0.828	49%	0.488	S	S	*	.	S	Bend	trans	-56.2	100	152.5	43.8	0	0	0	0	105.5
98	D	50.9	Low	61.9	Low	128 Å²	128	96.2 Å²	96.2	68%	0.684	50%	0.499	S	S	*	.	S	Bend	trans	81.9	118.3	-175.3	-52.6	-47	0	0	0	118.9	Q1 T96	Q1-D98 PolarHBondContact NE2-O 2.92Å; T96-D98 WeakPolarHBondContact CB-O 3.49Å; T96-D98 PolarHBondContact O-N 3.1Å
99	I	51.2	Low	59.3	Low	123 Å²	123	99.3 Å²	99.3	63%	0.631	52%	0.515	S	S	*	.			trans	97.9	119	156.5	-44.6	-177.8	0	0	0	118.3
100	H	42.6	Very low	56.9	Low	174 Å²	174	104.1 Å²	104.1	81%	0.806	53%	0.528	S	S	*	.			trans	-67.6	126.1	169.7	-65.3	-110	0	0	0	111
101	T	46.7	Very low	54.2	Low	95 Å²	95	109.6 Å²	109.6	58%	0.583	56%	0.555	S	S	*	*			trans	-109	112.5	160.8	45.1	0	0	0	0	108.8
102	V	40.8	Very low	51.7	Low	134 Å²	134	113.6 Å²	113.6	81%	0.812	58%	0.581	S	S	*	*			trans	-86	111.4	163.3	177	0	0	0	0	106.4
103	T	41.1	Very low	49.1	Very low	81 Å²	81	118.5 Å²	118.5	50%	0.497	61%	0.613	S	S	.	*			trans	-96	101.9	168.1	-24.5	0	0	0	0	106.6
104	Q	35.5	Very low	46.7	Very low	140 Å²	140	123.6 Å²	123.6	65%	0.654	64%	0.637	S	S	*	*			trans	-80.6	117.3	168.6	-175.8	173.8	8.8	0	0	107.6	D106	Q104-D106 VanDerWaalsContact NE2-CG 3.27Å; Q104-D106 PolarHBondContact NE2-OD1 3.33Å; Q104-D106 PolarHBondContact NE2-OD2 2.88Å
105	A	35	Very low	44.6	Very low	63 Å²	63	128.8 Å²	128.8	52%	0.521	67%	0.671	S	S	.	*			trans	-104.9	101.6	158.7	0	0	0	0	0	106.1	E107	A105-E107 PolarHBondContact O-N 2.93Å
106	D	40.2	Very low	43.6	Very low	125 Å²	125	129.4 Å²	129.4	67%	0.668	70%	0.696	S	S	*	*			trans	-75.9	108.7	164.5	-73.8	-41.1	0	0	0	107.2	Q104	Q104-D106 VanDerWaalsContact NE2-CG 3.27Å; Q104-D106 PolarHBondContact NE2-OD1 3.33Å; Q104-D106 PolarHBondContact NE2-OD2 2.88Å
107	E	37.3	Very low	42.5	Very low	182 Å²	182	134.5 Å²	134.5	85%	0.85	72%	0.723	S	S	*	*			trans	-166.4	128.5	134.5	-113.3	-179.5	156.6	0	0	112.2	A105	A105-E107 PolarHBondContact O-N 2.93Å
108	E	35.7	Very low	42.1	Very low	129 Å²	129	134.4 Å²	134.4	60%	0.603	72%	0.717	S	S	*	*			trans	-24.6	118.8	175.2	-160.3	178.1	168.7	0	0	116.6	R110	E108-R110 VanDerWaalsContact CD-CZ 3.48Å; E108-R110 HydrophobicContact CG-CG 4.24Å; E108-R110 PolarHBondContact O-N 3.46Å; E108-R110 VanDerWaalsContact O-N 3.15Å; E108-R110 IonicContact OE1-CZ 3.58Å; E108-R110 IonicContact OE1-NH1 2.78Å; E108-R110 PolarHBondContact OE1-NH1 2.92Å; E108-R110 IonicContact OE1-NH2 4Å; E108-R110 IonicContact OE2-CZ 3.08Å; E108-R110 IonicContact OE2-NH1 2.98Å; E108-R110 PolarHBondContact OE2-NH1 3.02Å; E108-R110 IonicContact OE2-NH2 2.76Å; E108-R110 PolarHBondContact OE2-NH2 2.89Å
109	V	39.7	Very low	41.6	Very low	80 Å²	80	134.8 Å²	134.8	49%	0.485	72%	0.719	S	S	.	*			trans	-65.4	112.2	161.6	-175.1	0	0	0	0	107.9	E87	E87-V109 HydrophobicContact CG-CB 4.35Å; E87-V109 HydrophobicContact CG-CG1 3.84Å; E87-V109 VanDerWaalsContact OE1-CG1 3.31Å; E87-V109 WeakPolarHBondContact OE1-CG1 3.41Å
110	R	46.1	Very low	41	Very low	173 Å²	173	135.5 Å²	135.5	65%	0.653	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-103.3	123.4	167.6	-62.4	-164.5	-149.2	-82.5	-11.7	109.5	E108 N112	E108-R110 VanDerWaalsContact CD-CZ 3.48Å; E108-R110 HydrophobicContact CG-CG 4.24Å; E108-R110 PolarHBondContact O-N 3.46Å; E108-R110 VanDerWaalsContact O-N 3.15Å; E108-R110 IonicContact OE1-CZ 3.58Å; E108-R110 IonicContact OE1-NH1 2.78Å; E108-R110 PolarHBondContact OE1-NH1 2.92Å; E108-R110 IonicContact OE1-NH2 4Å; E108-R110 IonicContact OE2-CZ 3.08Å; E108-R110 IonicContact OE2-NH1 2.98Å; E108-R110 PolarHBondContact OE2-NH1 3.02Å; E108-R110 IonicContact OE2-NH2 2.76Å; E108-R110 PolarHBondContact OE2-NH2 2.89Å; R110-N112 PolarHBondContact O-N 3.13Å
111	Q	40.7	Very low	40.9	Very low	145 Å²	145	133.1 Å²	133.1	68%	0.678	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-61.4	130.6	165.4	-67.2	-178.6	-9.9	0	0	109.3	E87	E87-Q111 PolarHBondContact OE2-NE2 2.97Å
112	N	41.9	Very low	40.6	Very low	152 Å²	152	135.6 Å²	135.6	81%	0.813	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-71.7	131.7	167.6	-130.2	5.7	0	0	0	107.7	R110 Q114	R110-N112 PolarHBondContact O-N 3.13Å; N112-Q114 PolarHBondContact O-N 2.9Å
113	P	38.8	Very low	40.5	Very low	114 Å²	114	135.7 Å²	135.7	74%	0.74	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-58.6	138.6	-178	21.3	-30.6	0	0	0	110.8
114	Q	40	Very low	40.5	Very low	172 Å²	172	139.9 Å²	139.9	80%	0.804	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-60.8	139.6	173.5	-70	-173.7	-101.9	0	0	109.9	N112 V116	N112-Q114 PolarHBondContact O-N 2.9Å; Q114-V116 PolarHBondContact O-N 3.33Å
115	P	42.2	Very low	40.9	Very low	129 Å²	129	139.9 Å²	139.9	84%	0.838	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-61.2	127.2	168.7	-14.6	27.8	0	0	0	109.3
116	V	53.4	Low	41.5	Very low	215 Å²	215	146.9 Å²	146.9	100%	1.303	77%	0.767	S	S	*	*			trans	-71.7	0	168.1	179.5	0	0	0	0	109.7	Q114	Q114-V116 PolarHBondContact O-N 3.33Å

Retrieved 116 of 116 residues in 108.5 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).