A0A076L4M5_HUMAN Loading...

MHC class II antigen

AlphaFold DB , UniProt , Accession A0A076L4M5, Species HUMAN (Homo sapiens, Human), Gene HLA-DQB1, Length 68 aa.

						>A0A076L4M5_HUMAN|A0A076L4M5|HLA-DQB1
QIKVRWFRNDQEETTGVVSTPLIRNGEWTFQILVMLEMTPQRGDVYTCHVEHPSLQSPITVEWRAQSE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	Q	87.8	Confident	96.8	Very high	189 Å²	189	88.6 Å²	88.6	88%	0.883	42%	0.416	S	S	*	.				0	132.3	0	-176.9	175.2	-1.2	0	0	108	P53	Q1-P53 WeakPolarHBondContact O-CD 3.15Å
2	I	97.1	Very high	97	Very high	57 Å²	57	89.9 Å²	89.9	29%	0.292	42%	0.422	S	S	.	.			trans	-83.8	144	176.5	-169.7	167.4	0	0	0	110.1	V4 L22 I32 V50 E51	I2-V4 HydrophobicContact CD1-CG2 4.12Å; I2-V4 HydrophobicContact CG1-CG2 4.06Å; I2-L22 HydrophobicContact CG2-CD1 4.18Å; I2-I32 HydrophobicContact CD1-CG2 3.99Å; I2-I32 HydrophobicContact CG2-CG2 4.21Å; I2-V50 HydrophobicContact CD1-CG1 4.18Å; I2-V50 HydrophobicContact CG1-CG1 4.23Å; I2-E51 WeakPolarHBondContact CA-O 3.44Å
3	K	97.8	Very high	97	Very high	117 Å²	117	86.8 Å²	86.8	51%	0.509	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	131.8	166.8	-58.8	178.7	-169.8	164.5	0	108.8	V50 E51	K3-V50 WeakPolarHBondContact O-CA 3.41Å; K3-E51 HydrophobicContact CB-CB 4.29Å; K3-E51 PolarHBondContact N-O 3.07Å; K3-E51 IonicContact NZ-OE2 2.89Å; K3-E51 PolarHBondContact O-N 3.2Å
4	V	98.4	Very high	97.1	Very high	35 Å²	35	87.7 Å²	87.7	21%	0.212	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	125.6	177.2	-176.6	0	0	0	0	107.2	I2 I32 V34 H49 V50	I2-V4 HydrophobicContact CD1-CG2 4.12Å; I2-V4 HydrophobicContact CG1-CG2 4.06Å; V4-I32 HydrophobicContact CG2-CG2 3.95Å; V4-V34 HydrophobicContact CB-CB 4.28Å; V4-V34 HydrophobicContact CB-CG2 3.67Å; V4-V34 HydrophobicContact CG1-CB 3.8Å; V4-V34 HydrophobicContact CG1-CG1 4.41Å; V4-V34 HydrophobicContact CG1-CG2 3.74Å; V4-V34 HydrophobicContact CG2-CG2 4.34Å; V4-H49 WeakPolarHBondContact CA-O 3.41Å; V4-V50 HydrophobicContact CG1-CG2 4.32Å; V4-V50 HydrophobicContact CG2-CG1 4.41Å; V4-V50 HydrophobicContact CG2-CG2 4.27Å
5	R	98.5	Very high	97.1	Very high	64 Å²	64	88.9 Å²	88.9	24%	0.242	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	149.7	-177.8	-69.6	175	-68.5	-179.7	-1.2	110.1	F7 E12 H49 E51	R5-F7 HydrophobicContact CB-CD2 4.39Å; R5-F7 HydrophobicContact CB-CE2 3.76Å; R5-E12 WeakPolarHBondContact CD-OE1 3.15Å; R5-E12 WeakPolarHBondContact CG-OE1 3.34Å; R5-H49 PolarHBondContact N-O 2.79Å; R5-H49 PolarHBondContact NH2-CD2 3.3Å; R5-H49 PolarHBondContact NH2-NE2 2.98Å; R5-H49 PolarHBondContact O-N 3.22Å; R5-E51 IonicContact CZ-OE1 3.65Å; R5-E51 IonicContact NH2-OE1 2.68Å; R5-E51 PolarHBondContact NH2-OE1 2.89Å
6	W	98.6	Very high	97	Very high	38 Å²	38	85.1 Å²	85.1	14%	0.144	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	144.1	170.5	-81.6	103.3	0	0	0	110.3	E13 V17 V34 L36 C48	W6-E13 HydrophobicContact CB-CB 4.43Å; W6-E13 PolarHBondContact O-N 3.32Å; W6-V17 HydrophobicContact CB-CG2 4.29Å; W6-V34 PolarHBondContact NE1-O 2.89Å; W6-L36 HydrophobicContact CB-CD2 4.02Å; W6-L36 HydrophobicContact CD2-CB 3.89Å; W6-L36 HydrophobicContact CD2-CD2 4.05Å; W6-L36 HydrophobicContact CE3-CD2 4.13Å; W6-L36 HydrophobicContact CG-CB 3.82Å; W6-L36 HydrophobicContact CG-CD2 4.02Å; W6-L36 HydrophobicContact CG-CG 4.47Å; W6-C48 HydrophobicContact CE3-CB 4.34Å; W6-C48 HydrophobicContact CH2-CB 3.97Å; W6-C48 HydrophobicContact CZ2-CB 4.23Å; W6-C48 HydrophobicContact CZ3-CB 4.02Å
7	F	98.4	Very high	97.1	Very high	36 Å²	36	82.9 Å²	82.9	16%	0.158	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	141.6	170.9	-68.8	-104.5	0	0	0	108.7	R5 Q11 E12 Y46 T47 H49	R5-F7 HydrophobicContact CB-CD2 4.39Å; R5-F7 HydrophobicContact CB-CE2 3.76Å; F7-Q11 CarbonylContact C-O 3.45Å; F7-Q11 WeakPolarHBondContact CA-O 3.36Å; F7-E12 HydrophobicContact CD1-CB 4.06Å; F7-E12 HydrophobicContact CE1-CB 3.71Å; F7-E12 HydrophobicContact CE1-CG 4.34Å; F7-E12 HydrophobicContact CZ-CB 4.08Å; F7-E12 HydrophobicContact CZ-CG 4.22Å; F7-Y46 CarbonylContact O-C 3.52Å; F7-Y46 VanDerWaalsContact O-CA 3.27Å; F7-Y46 WeakPolarHBondContact O-CA 3.3Å; F7-T47 PolarHBondContact N-O 2.9Å; F7-T47 PolarHBondContact O-N 3.42Å; F7-H49 HydrophobicContact CD2-CB 3.89Å; F7-H49 HydrophobicContact CE2-CB 3.66Å
8	R	97.6	Very high	97.2	Very high	66 Å²	66	83 Å²	83	25%	0.249	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	119.3	167.5	179.5	-176.5	179.1	-178.9	3	107.7	D10 Q11 D44 V45 Y46	R8-D10 VanDerWaalsContact C-N 3.3Å; R8-D10 PolarHBondContact O-N 3.03Å; R8-Q11 PolarHBondContact N-O 2.84Å; R8-Q11 PolarHBondContact O-N 3.2Å; R8-D44 IonicContact CZ-OD1 3.46Å; R8-D44 IonicContact CZ-OD2 3.34Å; R8-D44 VanDerWaalsContact NE-CG 3.34Å; R8-D44 IonicContact NE-OD1 2.98Å; R8-D44 PolarHBondContact NE-OD1 3.47Å; R8-D44 IonicContact NE-OD2 3.3Å; R8-D44 PolarHBondContact NE-OD2 2.96Å; R8-D44 VanDerWaalsContact NH2-CG 3.3Å; R8-D44 IonicContact NH2-OD1 3.61Å; R8-D44 PolarHBondContact NH2-OD1 2.89Å; R8-D44 IonicContact NH2-OD2 3.56Å; R8-D44 PolarHBondContact NH2-OD2 2.68Å; R8-V45 WeakPolarHBondContact CA-O 3.41Å; R8-Y46 HydrophobicContact CB-CD1 4.05Å; R8-Y46 HydrophobicContact CB-CE1 3.91Å; R8-Y46 HydrophobicContact CG-CD1 4.15Å; R8-Y46 HydrophobicContact CG-CE1 3.64Å; R8-Y46 PolarHBondContact NE-OH 2.77Å
9	N	96.6	Very high	97.2	Very high	72 Å²	72	82.5 Å²	82.5	39%	0.385	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	50.1	-180	-53.2	-36.8	0	0	0	112.1	Q11 D44 V45	N9-Q11 PolarHBondContact O-N 3.4Å; N9-Q11 VanDerWaalsContact O-N 3.1Å; N9-D44 PolarHBondContact ND2-OD1 2.88Å; N9-D44 WeakPolarHBondContact OD1-CA 3.28Å; N9-V45 PolarHBondContact N-O 2.89Å; N9-V45 PolarHBondContact OD1-N 3.05Å
10	D	96.6	Very high	97.2	Very high	146 Å²	146	80.2 Å²	80.2	78%	0.781	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	4.3	-178.1	-54.9	-46.9	0	0	0	116.4	R8	R8-D10 VanDerWaalsContact C-N 3.3Å; R8-D10 PolarHBondContact O-N 3.03Å
11	Q	97.8	Very high	97.2	Very high	155 Å²	155	81.6 Å²	81.6	72%	0.724	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.1	132.8	172.4	-61.6	-167.3	-19.4	0	0	110.7	F7 R8 N9 E13	F7-Q11 CarbonylContact C-O 3.45Å; F7-Q11 WeakPolarHBondContact CA-O 3.36Å; R8-Q11 PolarHBondContact N-O 2.84Å; R8-Q11 PolarHBondContact O-N 3.2Å; N9-Q11 PolarHBondContact O-N 3.4Å; N9-Q11 VanDerWaalsContact O-N 3.1Å; Q11-E13 PolarHBondContact O-N 2.81Å
12	E	98.1	Very high	97.6	Very high	104 Å²	104	77.2 Å²	77.2	49%	0.486	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	126.1	178.9	-172	168.1	179	0	0	110.1	R5 F7 T14	R5-E12 WeakPolarHBondContact CD-OE1 3.15Å; R5-E12 WeakPolarHBondContact CG-OE1 3.34Å; F7-E12 HydrophobicContact CD1-CB 4.06Å; F7-E12 HydrophobicContact CE1-CB 3.71Å; F7-E12 HydrophobicContact CE1-CG 4.34Å; F7-E12 HydrophobicContact CZ-CB 4.08Å; F7-E12 HydrophobicContact CZ-CG 4.22Å; E12-T14 HydrophobicContact CG-CG2 4.49Å
13	E	97.5	Very high	97.6	Very high	49 Å²	49	77.8 Å²	77.8	23%	0.229	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125.9	177.9	-177.5	58.9	-92.9	0	0	109.3	W6 Q11 T15 V17 L36	W6-E13 HydrophobicContact CB-CB 4.43Å; W6-E13 PolarHBondContact O-N 3.32Å; Q11-E13 PolarHBondContact O-N 2.81Å; E13-T15 WeakPolarHBondContact OE1-CA 3.48Å; E13-T15 WeakPolarHBondContact OE1-CB 3.42Å; E13-T15 PolarHBondContact OE1-N 3.1Å; E13-T15 PolarHBondContact OE1-OG1 2.81Å; E13-T15 VanDerWaalsContact OE1-OG1 3.07Å; E13-V17 WeakPolarHBondContact O-CG2 3.31Å; E13-L36 HydrophobicContact CG-CD1 3.64Å; E13-L36 HydrophobicContact CG-CD2 4.2Å
14	T	97.8	Very high	97.5	Very high	100 Å²	100	79.7 Å²	79.7	61%	0.613	42%	0.422	S	S	*	.			trans	-118.9	-20.2	178.1	58.6	0	0	0	0	112.1	E12 V17	E12-T14 HydrophobicContact CG-CG2 4.49Å; T14-V17 PolarHBondContact O-N 3.02Å
15	T	97.6	Very high	97.3	Very high	105 Å²	105	80.7 Å²	80.7	64%	0.644	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	130.8	180	-45.4	0	0	0	0	109.2	E13 V17 L36	E13-T15 WeakPolarHBondContact OE1-CA 3.48Å; E13-T15 WeakPolarHBondContact OE1-CB 3.42Å; E13-T15 PolarHBondContact OE1-N 3.1Å; E13-T15 PolarHBondContact OE1-OG1 2.81Å; E13-T15 VanDerWaalsContact OE1-OG1 3.07Å; T15-V17 PolarHBondContact O-N 2.92Å; T15-L36 VanDerWaalsContact O-CD1 3.3Å; T15-L36 WeakPolarHBondContact O-CD1 3.44Å
16	G	96.3	Very high	96.6	Very high	28 Å²	28	80.7 Å²	80.7	29%	0.289	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.5	8.9	-178.3	0	0	0	0	0	114.2	E37	G16-E37 PolarHBondContact O-N 2.94Å
17	V	98.2	Very high	96.4	Very high	49 Å²	49	85.2 Å²	85.2	30%	0.297	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	124.1	173.8	177.8	0	0	0	0	110.1	W6 E13 T14 T15 V34 M35 L36	W6-V17 HydrophobicContact CB-CG2 4.29Å; E13-V17 WeakPolarHBondContact O-CG2 3.31Å; T14-V17 PolarHBondContact O-N 3.02Å; T15-V17 PolarHBondContact O-N 2.92Å; V17-V34 HydrophobicContact CG1-CG1 3.53Å; V17-M35 VanDerWaalsContact CA-O 3.31Å; V17-M35 WeakPolarHBondContact CA-O 3.38Å; V17-L36 HydrophobicContact CG2-CD1 3.88Å
18	V	98.1	Very high	96.1	Very high	84 Å²	84	94.3 Å²	94.3	51%	0.509	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	134.9	176.3	-175.8	0	0	0	0	109.1	V34 M35	V18-V34 CarbonylContact O-C 3.6Å; V18-V34 WeakPolarHBondContact O-CA 3.16Å; V18-M35 PolarHBondContact N-O 2.84Å; V18-M35 PolarHBondContact O-N 2.85Å
19	S	97.9	Very high	96	Very high	73 Å²	73	94.4 Å²	94.4	51%	0.51	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	146	178.3	62.3	0	0	0	0	112.2	L33	S19-L33 VanDerWaalsContact CA-O 3.3Å; S19-L33 WeakPolarHBondContact CA-O 3.45Å
20	T	98	Very high	96	Very high	37 Å²	37	95.5 Å²	95.5	23%	0.227	51%	0.512	C	S	.	.			trans	-69.3	157.9	162.1	64.4	0	0	0	0	109.5	I23 L33	T20-I23 HydrophobicContact CG2-CD1 4.47Å; T20-L33 HydrophobicContact CG2-CB 3.96Å; T20-L33 PolarHBondContact N-O 3.32Å; T20-L33 PolarHBondContact OG1-N 2.87Å
21	P	96.2	Very high	96	Very high	109 Å²	109	93.5 Å²	93.5	71%	0.708	50%	0.498	S	S	*	.			trans	-55.1	165.2	157.1	-21.4	33.5	0	0	0	110.9	I23	P21-I23 PolarHBondContact O-N 2.95Å
22	L	95.8	Very high	96	Very high	97 Å²	97	88.6 Å²	88.6	51%	0.508	48%	0.476	S	S	.	.			trans	-68.4	115.7	171.2	-169	71.1	0	0	0	109.2	I2 F30 I32	I2-L22 HydrophobicContact CG2-CD1 4.18Å; L22-F30 HydrophobicContact CD1-CB 3.89Å; L22-F30 HydrophobicContact CD2-CB 4.3Å; L22-F30 HydrophobicContact CD2-CD1 3.71Å; L22-F30 HydrophobicContact CD2-CE1 4.25Å; L22-F30 HydrophobicContact CD2-CG 4.12Å; L22-F30 HydrophobicContact CG-CB 4.04Å; L22-F30 HydrophobicContact CG-CD1 3.86Å; L22-F30 HydrophobicContact CG-CG 4.27Å; L22-I32 HydrophobicContact CD1-CB 4.31Å
23	I	97.1	Very high	96	Very high	70 Å²	70	88.4 Å²	88.4	36%	0.359	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	132.8	-178.5	-61	160.3	0	0	0	108.4	T20 P21 F30 Q31	T20-I23 HydrophobicContact CG2-CD1 4.47Å; P21-I23 PolarHBondContact O-N 2.95Å; I23-F30 CarbonylContact O-C 3.5Å; I23-F30 WeakPolarHBondContact O-CA 3.09Å; I23-Q31 HydrophobicContact CB-CG 3.7Å; I23-Q31 HydrophobicContact CD1-CG 4.31Å; I23-Q31 HydrophobicContact CG2-CG 4.03Å; I23-Q31 PolarHBondContact N-O 3.36Å; I23-Q31 PolarHBondContact O-N 3.31Å
24	R	95.9	Very high	96	Very high	156 Å²	156	86.8 Å²	86.8	59%	0.589	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	126.8	173.4	-177.3	-174.6	-67.1	-91.5	2.3	109	F30	R24-F30 HydrophobicContact CB-CD1 4.11Å; R24-F30 HydrophobicContact CB-CE1 4.01Å; R24-F30 HydrophobicContact CG-CD1 4.47Å; R24-F30 HydrophobicContact CG-CE1 4.11Å
25	N	95	Very high	96.1	Very high	57 Å²	57	86.9 Å²	86.9	31%	0.305	47%	0.466	S	S	.	.			trans	-85.5	-24.5	-172.3	-62.3	-26.8	0	0	0	114.1	T29 Q31	N25-T29 WeakPolarHBondContact CB-OG1 3.5Å; N25-T29 PolarHBondContact N-O 2.94Å; N25-T29 VanDerWaalsContact N-O 3.13Å; N25-T29 PolarHBondContact ND2-OG1 2.91Å; N25-T29 VanDerWaalsContact ND2-OG1 3.09Å; N25-Q31 VanDerWaalsContact OD1-CG 3.28Å; N25-Q31 WeakPolarHBondContact OD1-CG 3.3Å; N25-Q31 PolarHBondContact OD1-NE2 2.88Å; N25-Q31 PolarHBondContact OD1-OE1 3.05Å
26	G	83.8	Confident	96.1	Very high	64 Å²	64	82.9 Å²	82.9	66%	0.66	44%	0.441	S	S	*	.	S	Bend	trans	116.7	-19.6	-179.9	0	0	0	0	0	113.9
27	E	94.3	Very high	96.1	Very high	132 Å²	132	89.3 Å²	89.3	62%	0.617	46%	0.463	S	S	*	.	S	Bend	trans	-114.5	48	176.8	42.8	-94.9	135.4	0	0	113.6	T29	E27-T29 PolarHBondContact O-N 2.94Å
28	W	91.9	Very high	95.9	Very high	227 Å²	227	90 Å²	90	86%	0.86	46%	0.464	S	S	*	.	S	Bend	trans	59.4	3.7	-179.6	-55.3	91.9	0	0	0	115.8
29	T	96.3	Very high	95.8	Very high	68 Å²	68	91.8 Å²	91.8	42%	0.417	48%	0.475	S	S	.	.			trans	-93.1	157.1	171.9	64.2	0	0	0	0	110.5	N25 E27	N25-T29 WeakPolarHBondContact CB-OG1 3.5Å; N25-T29 PolarHBondContact N-O 2.94Å; N25-T29 VanDerWaalsContact N-O 3.13Å; N25-T29 PolarHBondContact ND2-OG1 2.91Å; N25-T29 VanDerWaalsContact ND2-OG1 3.09Å; E27-T29 PolarHBondContact O-N 2.94Å
30	F	96.1	Very high	95.5	Very high	96 Å²	96	91.3 Å²	91.3	42%	0.421	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	155.6	176.6	-61.8	-94.4	0	0	0	109.1	L22 I23 R24	L22-F30 HydrophobicContact CD1-CB 3.89Å; L22-F30 HydrophobicContact CD2-CB 4.3Å; L22-F30 HydrophobicContact CD2-CD1 3.71Å; L22-F30 HydrophobicContact CD2-CE1 4.25Å; L22-F30 HydrophobicContact CD2-CG 4.12Å; L22-F30 HydrophobicContact CG-CB 4.04Å; L22-F30 HydrophobicContact CG-CD1 3.86Å; L22-F30 HydrophobicContact CG-CG 4.27Å; I23-F30 CarbonylContact O-C 3.5Å; I23-F30 WeakPolarHBondContact O-CA 3.09Å; R24-F30 HydrophobicContact CB-CD1 4.11Å; R24-F30 HydrophobicContact CB-CE1 4.01Å; R24-F30 HydrophobicContact CG-CD1 4.47Å; R24-F30 HydrophobicContact CG-CE1 4.11Å
31	Q	96.6	Very high	95.2	Very high	103 Å²	103	95 Å²	95	48%	0.481	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	151.1	172.8	66.4	-173	8.9	0	0	110.5	I23 N25	I23-Q31 HydrophobicContact CB-CG 3.7Å; I23-Q31 HydrophobicContact CD1-CG 4.31Å; I23-Q31 HydrophobicContact CG2-CG 4.03Å; I23-Q31 PolarHBondContact N-O 3.36Å; I23-Q31 PolarHBondContact O-N 3.31Å; N25-Q31 VanDerWaalsContact OD1-CG 3.28Å; N25-Q31 WeakPolarHBondContact OD1-CG 3.3Å; N25-Q31 PolarHBondContact OD1-NE2 2.88Å; N25-Q31 PolarHBondContact OD1-OE1 3.05Å
32	I	97.8	Very high	95	Very high	53 Å²	53	101.4 Å²	101.4	27%	0.272	50%	0.495	S	S	.	.			trans	-139.7	134.9	171.3	-174.6	171.6	0	0	0	107.1	I2 V4 L22 V34	I2-I32 HydrophobicContact CD1-CG2 3.99Å; I2-I32 HydrophobicContact CG2-CG2 4.21Å; V4-I32 HydrophobicContact CG2-CG2 3.95Å; L22-I32 HydrophobicContact CD1-CB 4.31Å; I32-V34 HydrophobicContact CD1-CG2 4.19Å; I32-V34 HydrophobicContact CG1-CG2 4.1Å
33	L	98	Very high	94.7	Very high	99 Å²	99	99.8 Å²	99.8	52%	0.518	50%	0.502	S	S	.	.			trans	-107.5	125.5	172.1	-175.5	65.9	0	0	0	108.3	S19 T20 M35	S19-L33 VanDerWaalsContact CA-O 3.3Å; S19-L33 WeakPolarHBondContact CA-O 3.45Å; T20-L33 HydrophobicContact CG2-CB 3.96Å; T20-L33 PolarHBondContact N-O 3.32Å; T20-L33 PolarHBondContact OG1-N 2.87Å; L33-M35 HydrophobicContact CD2-CG 4.1Å; L33-M35 HydrophobicContact CD2-SD 4.09Å; L33-M35 HydrophobicContact CG-CG 4.01Å
34	V	98.3	Very high	94.7	Very high	16 Å²	16	97.1 Å²	97.1	10%	0.097	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	108.1	176.3	-175.5	0	0	0	0	108.2	V4 W6 V17 V18 I32	V4-V34 HydrophobicContact CB-CB 4.28Å; V4-V34 HydrophobicContact CB-CG2 3.67Å; V4-V34 HydrophobicContact CG1-CB 3.8Å; V4-V34 HydrophobicContact CG1-CG1 4.41Å; V4-V34 HydrophobicContact CG1-CG2 3.74Å; V4-V34 HydrophobicContact CG2-CG2 4.34Å; W6-V34 PolarHBondContact NE1-O 2.89Å; V17-V34 HydrophobicContact CG1-CG1 3.53Å; V18-V34 CarbonylContact O-C 3.6Å; V18-V34 WeakPolarHBondContact O-CA 3.16Å; I32-V34 HydrophobicContact CD1-CG2 4.19Å; I32-V34 HydrophobicContact CG1-CG2 4.1Å
35	M	98.1	Very high	94.7	Very high	101 Å²	101	90.7 Å²	90.7	50%	0.498	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	145.7	-178.1	-60.7	-176.7	-66.3	0	0	109.8	V17 V18 L33	V17-M35 VanDerWaalsContact CA-O 3.31Å; V17-M35 WeakPolarHBondContact CA-O 3.38Å; V18-M35 PolarHBondContact N-O 2.84Å; V18-M35 PolarHBondContact O-N 2.85Å; L33-M35 HydrophobicContact CD2-CG 4.1Å; L33-M35 HydrophobicContact CD2-SD 4.09Å; L33-M35 HydrophobicContact CG-CG 4.01Å
36	L	98	Very high	94.8	Very high	22 Å²	22	88.1 Å²	88.1	12%	0.115	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	114.9	171.6	171.1	59.8	0	0	0	108.6	W6 E13 T15 V17 M38 Y46	W6-L36 HydrophobicContact CB-CD2 4.02Å; W6-L36 HydrophobicContact CD2-CB 3.89Å; W6-L36 HydrophobicContact CD2-CD2 4.05Å; W6-L36 HydrophobicContact CE3-CD2 4.13Å; W6-L36 HydrophobicContact CG-CB 3.82Å; W6-L36 HydrophobicContact CG-CD2 4.02Å; W6-L36 HydrophobicContact CG-CG 4.47Å; E13-L36 HydrophobicContact CG-CD1 3.64Å; E13-L36 HydrophobicContact CG-CD2 4.2Å; T15-L36 VanDerWaalsContact O-CD1 3.3Å; T15-L36 WeakPolarHBondContact O-CD1 3.44Å; V17-L36 HydrophobicContact CG2-CD1 3.88Å; L36-M38 HydrophobicContact CB-CE 4.07Å; L36-M38 HydrophobicContact CD2-CE 3.52Å; L36-M38 HydrophobicContact CD2-SD 4.28Å; L36-M38 HydrophobicContact CG-CB 4.26Å; L36-M38 HydrophobicContact CG-CE 3.77Å; L36-M38 HydrophobicContact CG-CG 4.41Å; L36-Y46 HydrophobicContact CD2-CD1 3.79Å; L36-Y46 HydrophobicContact CD2-CE1 4.15Å
37	E	97.7	Very high	95.5	Very high	163 Å²	163	85.7 Å²	85.7	76%	0.762	43%	0.425	S	S	*	.			trans	-77.9	120.1	169.2	-173.6	174.5	-167.8	0	0	109.6	G16	G16-E37 PolarHBondContact O-N 2.94Å
38	M	93.6	Very high	95.7	Very high	63 Å²	63	80.6 Å²	80.6	31%	0.31	40%	0.404	S	S	.	.			trans	-152.3	159.7	-173.8	60.3	169.3	115.6	0	0	112.1	L36 Y46 W63	L36-M38 HydrophobicContact CB-CE 4.07Å; L36-M38 HydrophobicContact CD2-CE 3.52Å; L36-M38 HydrophobicContact CD2-SD 4.28Å; L36-M38 HydrophobicContact CG-CB 4.26Å; L36-M38 HydrophobicContact CG-CE 3.77Å; L36-M38 HydrophobicContact CG-CG 4.41Å; M38-Y46 HydrophobicContact CB-CE1 4.41Å; M38-Y46 HydrophobicContact CE-CD1 3.63Å; M38-Y46 HydrophobicContact CE-CD2 4.34Å; M38-Y46 HydrophobicContact CE-CE1 3.97Å; M38-Y46 HydrophobicContact CE-CG 3.83Å; M38-Y46 HydrophobicContact CG-CE1 4.45Å; M38-Y46 HydrophobicContact SD-CD1 3.45Å; M38-Y46 WeakPolarHBondContact SD-CD1 3.13Å; M38-Y46 HydrophobicContact SD-CD2 3.81Å; M38-Y46 HydrophobicContact SD-CE1 3.16Å; M38-Y46 WeakPolarHBondContact SD-CE1 3.46Å; M38-Y46 HydrophobicContact SD-CE2 3.53Å; M38-Y46 VanDerWaalsContact SD-CE2 3.53Å; M38-Y46 HydrophobicContact SD-CG 3.75Å; M38-W63 HydrophobicContact SD-CZ3 4.43Å
39	T	94.6	Very high	96	Very high	121 Å²	121	71.3 Å²	71.3	74%	0.742	37%	0.37	S	S	*	.			trans	-108.4	104.2	163.2	-56.2	0	0	0	0	108.3	Q41	T39-Q41 PolarHBondContact O-N 2.84Å
40	P	92.3	Very high	96.2	Very high	63 Å²	63	69.5 Å²	69.5	41%	0.409	36%	0.358	S	S	.	.			trans	-66.7	133.7	-174.5	24.9	-32.2	0	0	0	111.4	Y46 W63 A65	P40-Y46 HydrophobicContact CB-CE2 4.4Å; P40-W63 HydrophobicContact CB-CH2 3.93Å; P40-W63 HydrophobicContact CB-CZ3 3.99Å; P40-W63 HydrophobicContact CG-CH2 4.22Å; P40-A65 HydrophobicContact CB-CB 3.83Å; P40-A65 HydrophobicContact CG-CB 4.43Å
41	Q	91.8	Very high	96.3	Very high	116 Å²	116	67.8 Å²	67.8	54%	0.542	35%	0.352	S	S	.	.			trans	-107.5	152.8	173.8	-54.2	-179.2	32.6	0	0	110.5	T39 G43 D44	T39-Q41 PolarHBondContact O-N 2.84Å; Q41-G43 PolarHBondContact O-N 2.89Å; Q41-D44 VanDerWaalsContact CB-OD2 3.28Å; Q41-D44 WeakPolarHBondContact CB-OD2 3.39Å; Q41-D44 PolarHBondContact N-OD2 3.07Å; Q41-D44 WeakPolarHBondContact O-CB 3.27Å; Q41-D44 PolarHBondContact O-N 2.74Å
42	R	91.5	Very high	96.3	Very high	242 Å²	242	66.7 Å²	66.7	91%	0.913	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	125.9	176.5	-174.3	-179.5	-177.6	-177.9	3	109.6
43	G	91.3	Very high	96.3	Very high	64 Å²	64	69 Å²	69	66%	0.66	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.4	-10.1	-180	0	0	0	0	0	114.3	Q41	Q41-G43 PolarHBondContact O-N 2.89Å
44	D	95.3	Very high	96.3	Very high	13 Å²	13	68.7 Å²	68.7	7%	0.07	37%	0.371	C	S	.	.			trans	-64.4	142.5	170.4	-76.2	-35.8	0	0	0	111.3	R8 N9 Q41 Y46	R8-D44 IonicContact CZ-OD1 3.46Å; R8-D44 IonicContact CZ-OD2 3.34Å; R8-D44 VanDerWaalsContact NE-CG 3.34Å; R8-D44 IonicContact NE-OD1 2.98Å; R8-D44 PolarHBondContact NE-OD1 3.47Å; R8-D44 IonicContact NE-OD2 3.3Å; R8-D44 PolarHBondContact NE-OD2 2.96Å; R8-D44 VanDerWaalsContact NH2-CG 3.3Å; R8-D44 IonicContact NH2-OD1 3.61Å; R8-D44 PolarHBondContact NH2-OD1 2.89Å; R8-D44 IonicContact NH2-OD2 3.56Å; R8-D44 PolarHBondContact NH2-OD2 2.68Å; N9-D44 PolarHBondContact ND2-OD1 2.88Å; N9-D44 WeakPolarHBondContact OD1-CA 3.28Å; Q41-D44 VanDerWaalsContact CB-OD2 3.28Å; Q41-D44 WeakPolarHBondContact CB-OD2 3.39Å; Q41-D44 PolarHBondContact N-OD2 3.07Å; Q41-D44 WeakPolarHBondContact O-CB 3.27Å; Q41-D44 PolarHBondContact O-N 2.74Å; D44-Y46 HydrophobicContact CB-CD2 4.13Å; D44-Y46 HydrophobicContact CB-CE2 3.36Å; D44-Y46 PolarHBondContact OD2-OH 3.37Å
45	V	96.6	Very high	96.3	Very high	21 Å²	21	70.7 Å²	70.7	13%	0.127	38%	0.381	C	S	.	.			trans	-121.4	124.3	171.2	-167.1	0	0	0	0	107.9	R8 N9 E62 R64	R8-V45 WeakPolarHBondContact CA-O 3.41Å; N9-V45 PolarHBondContact N-O 2.89Å; N9-V45 PolarHBondContact OD1-N 3.05Å; V45-E62 HydrophobicContact CG1-CG 4.29Å; V45-R64 HydrophobicContact CG1-CG 4.25Å; V45-R64 HydrophobicContact CG2-CG 4.46Å
46	Y	97.7	Very high	96.3	Very high	3 Å²	3	75.9 Å²	75.9	1%	0.012	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	130.9	176.8	-62.6	-90	0	0	0	109.1	F7 R8 L36 M38 P40 D44 E62 W63	F7-Y46 CarbonylContact O-C 3.52Å; F7-Y46 VanDerWaalsContact O-CA 3.27Å; F7-Y46 WeakPolarHBondContact O-CA 3.3Å; R8-Y46 HydrophobicContact CB-CD1 4.05Å; R8-Y46 HydrophobicContact CB-CE1 3.91Å; R8-Y46 HydrophobicContact CG-CD1 4.15Å; R8-Y46 HydrophobicContact CG-CE1 3.64Å; R8-Y46 PolarHBondContact NE-OH 2.77Å; L36-Y46 HydrophobicContact CD2-CD1 3.79Å; L36-Y46 HydrophobicContact CD2-CE1 4.15Å; M38-Y46 HydrophobicContact CB-CE1 4.41Å; M38-Y46 HydrophobicContact CE-CD1 3.63Å; M38-Y46 HydrophobicContact CE-CD2 4.34Å; M38-Y46 HydrophobicContact CE-CE1 3.97Å; M38-Y46 HydrophobicContact CE-CG 3.83Å; M38-Y46 HydrophobicContact CG-CE1 4.45Å; M38-Y46 HydrophobicContact SD-CD1 3.45Å; M38-Y46 WeakPolarHBondContact SD-CD1 3.13Å; M38-Y46 HydrophobicContact SD-CD2 3.81Å; M38-Y46 HydrophobicContact SD-CE1 3.16Å; M38-Y46 WeakPolarHBondContact SD-CE1 3.46Å; M38-Y46 HydrophobicContact SD-CE2 3.53Å; M38-Y46 VanDerWaalsContact SD-CE2 3.53Å; M38-Y46 HydrophobicContact SD-CG 3.75Å; P40-Y46 HydrophobicContact CB-CE2 4.4Å; D44-Y46 HydrophobicContact CB-CD2 4.13Å; D44-Y46 HydrophobicContact CB-CE2 3.36Å; D44-Y46 PolarHBondContact OD2-OH 3.37Å; Y46-E62 CarbonylContact O-C 3.6Å; Y46-E62 WeakPolarHBondContact O-CA 3.37Å; Y46-W63 AromaticContact CD2-CE3 3.58Å; Y46-W63 HydrophobicContact CD2-CE3 3.58Å; Y46-W63 AromaticContact CD2-CZ3 3.69Å; Y46-W63 HydrophobicContact CD2-CZ3 3.69Å; Y46-W63 HydrophobicContact CE2-CE3 4.35Å; Y46-W63 AromaticContact CE2-CZ3 3.99Å; Y46-W63 HydrophobicContact CE2-CZ3 3.99Å; Y46-W63 HydrophobicContact CG-CE3 4.22Å; Y46-W63 PolarHBondContact N-O 3.42Å; Y46-W63 PolarHBondContact O-N 3.09Å
47	T	98.5	Very high	96.3	Very high	14 Å²	14	78.7 Å²	78.7	9%	0.086	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	120.9	-178.3	-55.2	0	0	0	0	109.8	F7 T60 V61	F7-T47 PolarHBondContact N-O 2.9Å; F7-T47 PolarHBondContact O-N 3.42Å; T47-T60 HydrophobicContact CG2-CG2 4.05Å; T47-V61 WeakPolarHBondContact CA-O 3.28Å
48	C	98.4	Very high	96.3	Very high	24 Å²	24	73.9 Å²	73.9	16%	0.162	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	120.1	165.8	178.7	0	0	0	0	108.4	W6 T60 V61	W6-C48 HydrophobicContact CE3-CB 4.34Å; W6-C48 HydrophobicContact CH2-CB 3.97Å; W6-C48 HydrophobicContact CZ2-CB 4.23Å; W6-C48 HydrophobicContact CZ3-CB 4.02Å; C48-T60 CarbonylContact O-C 3.53Å; C48-T60 VanDerWaalsContact O-CA 3.31Å; C48-T60 WeakPolarHBondContact O-CA 3.43Å; C48-V61 HydrophobicContact CB-CB 4.45Å; C48-V61 PolarHBondContact N-O 2.81Å; C48-V61 PolarHBondContact O-N 2.9Å
49	H	98.6	Very high	96.5	Very high	32 Å²	32	74.9 Å²	74.9	15%	0.148	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	122.6	-177.5	-174.7	128.4	0	0	0	109.8	V4 R5 F7 E51 P58 I59	V4-H49 WeakPolarHBondContact CA-O 3.41Å; R5-H49 PolarHBondContact N-O 2.79Å; R5-H49 PolarHBondContact NH2-CD2 3.3Å; R5-H49 PolarHBondContact NH2-NE2 2.98Å; R5-H49 PolarHBondContact O-N 3.22Å; F7-H49 HydrophobicContact CD2-CB 3.89Å; F7-H49 HydrophobicContact CE2-CB 3.66Å; H49-E51 IonicContact NE2-OE1 3.76Å; H49-P58 WeakPolarHBondContact NE2-CB 3.47Å; H49-I59 CarbonylContact C-O 3.57Å; H49-I59 WeakPolarHBondContact CA-O 3.31Å
50	V	98.6	Very high	96.7	Very high	30 Å²	30	73.1 Å²	73.1	18%	0.182	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	120.8	-176.4	-175.7	0	0	0	0	111.2	I2 K3 V4 P58 I59	I2-V50 HydrophobicContact CD1-CG1 4.18Å; I2-V50 HydrophobicContact CG1-CG1 4.23Å; K3-V50 WeakPolarHBondContact O-CA 3.41Å; V4-V50 HydrophobicContact CG1-CG2 4.32Å; V4-V50 HydrophobicContact CG2-CG1 4.41Å; V4-V50 HydrophobicContact CG2-CG2 4.27Å; V50-P58 WeakPolarHBondContact O-CA 3.46Å; V50-I59 HydrophobicContact CB-CB 4.39Å; V50-I59 PolarHBondContact N-O 2.86Å; V50-I59 PolarHBondContact O-N 3.13Å
51	E	98.6	Very high	97	Very high	61 Å²	61	74.3 Å²	74.3	29%	0.285	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	133.3	168	-61.4	179	-179.1	0	0	109.9	I2 K3 R5 H49 P58	I2-E51 WeakPolarHBondContact CA-O 3.44Å; K3-E51 HydrophobicContact CB-CB 4.29Å; K3-E51 PolarHBondContact N-O 3.07Å; K3-E51 IonicContact NZ-OE2 2.89Å; K3-E51 PolarHBondContact O-N 3.2Å; R5-E51 IonicContact CZ-OE1 3.65Å; R5-E51 IonicContact NH2-OE1 2.68Å; R5-E51 PolarHBondContact NH2-OE1 2.89Å; H49-E51 IonicContact NE2-OE1 3.76Å; E51-P58 HydrophobicContact CG-CB 4.32Å; E51-P58 HydrophobicContact CG-CG 4.28Å
52	H	98.2	Very high	97.3	Very high	80 Å²	80	74.3 Å²	74.3	37%	0.37	41%	0.409	S	S	.	.			trans	-152	143.1	174.7	-174.1	-106.1	0	0	0	110.2	S54 L55	H52-S54 WeakPolarHBondContact ND1-CB 3.39Å; H52-S54 PolarHBondContact ND1-N 3.02Å; H52-S54 PolarHBondContact ND1-OG 2.97Å; H52-S54 PolarHBondContact O-N 3.4Å; H52-L55 HydrophobicContact CB-CD1 3.95Å; H52-L55 HydrophobicContact CB-CG 4.17Å; H52-L55 WeakPolarHBondContact O-CB 3.34Å; H52-L55 PolarHBondContact O-N 2.89Å
53	P	97.8	Very high	97.5	Very high	101 Å²	101	68.4 Å²	68.4	66%	0.656	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-19.4	-177.3	-28.9	36.6	0	0	0	116	Q1 L55	Q1-P53 WeakPolarHBondContact O-CD 3.15Å; P53-L55 VanDerWaalsContact C-N 3.27Å
54	S	97.3	Very high	97.7	Very high	93 Å²	93	72 Å²	72	65%	0.65	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-9.9	175.3	71.1	0	0	0	0	113.4	H52	H52-S54 WeakPolarHBondContact ND1-CB 3.39Å; H52-S54 PolarHBondContact ND1-N 3.02Å; H52-S54 PolarHBondContact ND1-OG 2.97Å; H52-S54 PolarHBondContact O-N 3.4Å
55	L	97.8	Very high	97.3	Very high	57 Å²	57	73.2 Å²	73.2	30%	0.298	39%	0.392	S	S	.	.			trans	-101.3	133.1	-176.6	-57.9	173.5	0	0	0	109.5	H52 P53 S57 I59	H52-L55 HydrophobicContact CB-CD1 3.95Å; H52-L55 HydrophobicContact CB-CG 4.17Å; H52-L55 WeakPolarHBondContact O-CB 3.34Å; H52-L55 PolarHBondContact O-N 2.89Å; P53-L55 VanDerWaalsContact C-N 3.27Å; L55-S57 VanDerWaalsContact C-N 3.35Å; L55-S57 WeakPolarHBondContact CB-O 3.2Å; L55-I59 HydrophobicContact CD1-CD1 3.7Å; L55-I59 HydrophobicContact CD1-CG1 3.92Å; L55-I59 HydrophobicContact CD2-CD1 3.67Å; L55-I59 HydrophobicContact CD2-CG1 4.3Å; L55-I59 HydrophobicContact CG-CD1 4.35Å
56	Q	98	Very high	96.4	Very high	210 Å²	210	81.3 Å²	81.3	98%	0.981	43%	0.429	S	S	*	.	S	Bend	trans	-73	-30.7	175.6	-66	-178.3	5.5	0	0	112.2
57	S	97.9	Very high	94.8	Very high	82 Å²	82	85.6 Å²	85.6	57%	0.573	46%	0.459	S	S	*	.	S	Bend	trans	-137.9	157.4	174.7	60.4	0	0	0	0	109.5	L55	L55-S57 VanDerWaalsContact C-N 3.35Å; L55-S57 WeakPolarHBondContact CB-O 3.2Å
58	P	98.1	Very high	92.9	Very high	62 Å²	62	97.7 Å²	97.7	40%	0.403	52%	0.515	S	S	.	.			trans	-61.2	148.3	176.8	-18.7	30.9	0	0	0	111.9	H49 V50 E51	H49-P58 WeakPolarHBondContact NE2-CB 3.47Å; V50-P58 WeakPolarHBondContact O-CA 3.46Å; E51-P58 HydrophobicContact CG-CB 4.32Å; E51-P58 HydrophobicContact CG-CG 4.28Å
59	I	98.3	Very high	92.6	Very high	83 Å²	83	101.4 Å²	101.4	43%	0.426	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	132.3	169.6	-70.6	170.4	0	0	0	108.1	H49 V50 L55 V61	H49-I59 CarbonylContact C-O 3.57Å; H49-I59 WeakPolarHBondContact CA-O 3.31Å; V50-I59 HydrophobicContact CB-CB 4.39Å; V50-I59 PolarHBondContact N-O 2.86Å; V50-I59 PolarHBondContact O-N 3.13Å; L55-I59 HydrophobicContact CD1-CD1 3.7Å; L55-I59 HydrophobicContact CD1-CG1 3.92Å; L55-I59 HydrophobicContact CD2-CD1 3.67Å; L55-I59 HydrophobicContact CD2-CG1 4.3Å; L55-I59 HydrophobicContact CG-CD1 4.35Å; I59-V61 HydrophobicContact CG2-CG2 4.23Å
60	T	98.3	Very high	92.3	Very high	85 Å²	85	105 Å²	105	52%	0.521	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.6	130.9	173.7	53.2	0	0	0	0	109.9	T47 C48	T47-T60 HydrophobicContact CG2-CG2 4.05Å; C48-T60 CarbonylContact O-C 3.53Å; C48-T60 VanDerWaalsContact O-CA 3.31Å; C48-T60 WeakPolarHBondContact O-CA 3.43Å
61	V	98.2	Very high	91.9	Very high	88 Å²	88	109.2 Å²	109.2	53%	0.533	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.3	116.8	174	-178.7	0	0	0	0	107.9	T47 C48 I59	T47-V61 WeakPolarHBondContact CA-O 3.28Å; C48-V61 HydrophobicContact CB-CB 4.45Å; C48-V61 PolarHBondContact N-O 2.81Å; C48-V61 PolarHBondContact O-N 2.9Å; I59-V61 HydrophobicContact CG2-CG2 4.23Å
62	E	97.7	Very high	91.5	Very high	116 Å²	116	112 Å²	112	54%	0.542	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.2	143.7	176.8	-70.7	-170.6	-161.5	0	0	111.6	V45 Y46 R64	V45-E62 HydrophobicContact CG1-CG 4.29Å; Y46-E62 CarbonylContact O-C 3.6Å; Y46-E62 WeakPolarHBondContact O-CA 3.37Å; E62-R64 IonicContact OE2-CZ 2.77Å; E62-R64 IonicContact OE2-NE 3.67Å; E62-R64 IonicContact OE2-NH2 3.05Å; E62-R64 PolarHBondContact OE2-NH2 2.79Å
63	W	96.5	Very high	91.1	Very high	118 Å²	118	114 Å²	114	45%	0.447	60%	0.604	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-132.5	138.1	169.3	-177.7	90.6	0	0	0	109.7	M38 P40 Y46 A65	M38-W63 HydrophobicContact SD-CZ3 4.43Å; P40-W63 HydrophobicContact CB-CH2 3.93Å; P40-W63 HydrophobicContact CB-CZ3 3.99Å; P40-W63 HydrophobicContact CG-CH2 4.22Å; Y46-W63 AromaticContact CD2-CE3 3.58Å; Y46-W63 HydrophobicContact CD2-CE3 3.58Å; Y46-W63 AromaticContact CD2-CZ3 3.69Å; Y46-W63 HydrophobicContact CD2-CZ3 3.69Å; Y46-W63 HydrophobicContact CE2-CE3 4.35Å; Y46-W63 AromaticContact CE2-CZ3 3.99Å; Y46-W63 HydrophobicContact CE2-CZ3 3.99Å; Y46-W63 HydrophobicContact CG-CE3 4.22Å; Y46-W63 PolarHBondContact N-O 3.42Å; Y46-W63 PolarHBondContact O-N 3.09Å; W63-A65 HydrophobicContact CH2-CB 3.67Å; W63-A65 HydrophobicContact CZ2-CB 4.41Å; W63-A65 HydrophobicContact CZ3-CB 4.07Å
64	R	94.9	Very high	90.7	Very high	139 Å²	139	114.9 Å²	114.9	53%	0.525	60%	0.601	S	S	.	*			trans	-131.2	138	175.9	-64.1	172.5	-171	-100.5	-6.9	107.6	V45 E62 Q66	V45-R64 HydrophobicContact CG1-CG 4.25Å; V45-R64 HydrophobicContact CG2-CG 4.46Å; E62-R64 IonicContact OE2-CZ 2.77Å; E62-R64 IonicContact OE2-NE 3.67Å; E62-R64 IonicContact OE2-NH2 3.05Å; E62-R64 PolarHBondContact OE2-NH2 2.79Å; R64-Q66 PolarHBondContact O-N 2.87Å
65	A	87.9	Confident	90.2	Very high	38 Å²	38	116.4 Å²	116.4	31%	0.314	60%	0.597	S	S	.	*	P	Polyproline II helix	trans	-61.6	132.4	171.9	0	0	0	0	0	109.3	P40 W63 S67	P40-A65 HydrophobicContact CB-CB 3.83Å; P40-A65 HydrophobicContact CG-CB 4.43Å; W63-A65 HydrophobicContact CH2-CB 3.67Å; W63-A65 HydrophobicContact CZ2-CB 4.41Å; W63-A65 HydrophobicContact CZ3-CB 4.07Å; A65-S67 PolarHBondContact O-N 3.36Å
66	Q	77.2	Confident	89.6	Confident	191 Å²	191	121 Å²	121	89%	0.893	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-63.4	127.8	171.8	-71.6	-178.5	-6.1	0	0	108.1	R64	R64-Q66 PolarHBondContact O-N 2.87Å
67	S	64.3	Low	88.9	Confident	93 Å²	93	113.6 Å²	113.6	65%	0.65	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-67.8	130.5	163.3	43.4	0	0	0	0	108.1	A65	A65-S67 PolarHBondContact O-N 3.36Å
68	E	57.9	Low	88.1	Confident	268 Å²	268	116.5 Å²	116.5	100%	1.252	59%	0.591	S	S	*	*			trans	-55.5	0	160.5	-67	-172.8	165	0	0	111.2

Retrieved 68 of 68 residues in 108 ms (Link to these results)

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