X5J5T2_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5T2, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 91 aa.

						>X5J5T2_MOUSE|X5J5T2
EAECSLEGPGNSPVQPLDSLSVALECTWVRQAPEKGLEWVAYISSGSSTIYYADTVKGGFTISRDNPKNTLFLQMTSLRSEDTAMYYCARR
					

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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	E	26.6	Very low	36.1	Very low	244 Å²	244	102.8 Å²	102.8	100%	1.14	60%	0.602	S	S	*	*				0	119	0	-69.2	155.5	105.6	0	0	106.7
2	A	32.9	Very low	37.2	Very low	66 Å²	66	97 Å²	97	55%	0.545	57%	0.571	S	S	.	*			trans	-107.2	98.2	-177.9	0	0	0	0	0	107.8	C4 L17	A2-C4 PolarHBondContact O-N 3.21Å; A2-L17 HydrophobicContact CB-CD2 4.18Å
3	E	31	Very low	38.3	Very low	186 Å²	186	94.7 Å²	94.7	87%	0.869	56%	0.56	S	S	*	*			trans	-75.7	103.4	170.6	-71.8	-179	81	0	0	108.1
4	C	38.8	Very low	39.5	Very low	37 Å²	37	88.8 Å²	88.8	25%	0.25	53%	0.526	C	S	.	.			trans	-101.2	98.2	168.1	-154.8	0	0	0	0	106.7	A2 L6	A2-C4 PolarHBondContact O-N 3.21Å; C4-L6 PolarHBondContact O-N 2.76Å
5	S	33.1	Very low	40	Very low	97 Å²	97	93.5 Å²	93.5	68%	0.678	54%	0.54	S	S	*	.			trans	-75.7	113.9	-178.7	-55.8	0	0	0	0	110.3
6	L	41.1	Very low	40.4	Very low	20 Å²	20	92.6 Å²	92.6	11%	0.105	54%	0.538	C	S	.	.			trans	-92.3	108.8	165.1	-82	168.8	0	0	0	109.3	C4 V14 W28 Y86	C4-L6 PolarHBondContact O-N 2.76Å; L6-V14 HydrophobicContact CD1-CG1 3.78Å; L6-V14 HydrophobicContact CD2-CG1 3.91Å; L6-V14 HydrophobicContact CG-CG1 3.88Å; L6-W28 HydrophobicContact CD1-CH2 4.14Å; L6-W28 HydrophobicContact CD1-CZ3 3.55Å; L6-Y86 VanDerWaalsContact CD1-CB 3.48Å; L6-Y86 WeakPolarHBondContact CD1-O 3.45Å
7	E	30.6	Very low	40.8	Very low	175 Å²	175	95.1 Å²	95.1	82%	0.818	55%	0.549	S	S	*	.			trans	-89.4	104	170.7	-57.9	-139.7	103.9	0	0	110
8	G	36.2	Very low	40.7	Very low	50 Å²	50	96.8 Å²	96.8	52%	0.515	56%	0.555	S	S	.	*	S	Bend	trans	68.5	172.8	152.5	0	0	0	0	0	119	G10	G8-G10 PolarHBondContact O-N 3.32Å; G8-G10 VanDerWaalsContact O-N 3.11Å
9	P	37.9	Very low	40.9	Very low	115 Å²	115	98.1 Å²	98.1	75%	0.747	57%	0.571	S	S	*	*	S	Bend	trans	-76.1	102.7	-160.8	30.5	-34.9	0	0	0	112.2	L78	P9-L78 HydrophobicContact CB-CD1 3.55Å
10	G	40.9	Very low	40.6	Very low	40 Å²	40	101.5 Å²	101.5	41%	0.412	59%	0.586	S	S	.	*	S	Bend	trans	-171.6	157.3	171.4	0	0	0	0	0	108.5	G8 S12	G8-G10 PolarHBondContact O-N 3.32Å; G8-G10 VanDerWaalsContact O-N 3.11Å; G10-S12 PolarHBondContact O-N 3.17Å; G10-S12 PolarHBondContact O-OG 2.91Å
11	N	47.6	Very low	40.7	Very low	101 Å²	101	99.1 Å²	99.1	54%	0.54	58%	0.575	S	S	.	*			trans	-58.8	88.9	169.7	-92.1	69.2	0	0	0	109	Q74	N11-Q74 PolarHBondContact ND2-NE2 3.34Å; N11-Q74 PolarHBondContact OD1-NE2 3Å
12	S	49.5	Very low	41.8	Very low	33 Å²	33	90.9 Å²	90.9	23%	0.231	54%	0.541	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	118.9	-172.7	-68.5	0	0	0	0	109.8	G10 V14	G10-S12 PolarHBondContact O-N 3.17Å; G10-S12 PolarHBondContact O-OG 2.91Å; S12-V14 PolarHBondContact O-N 2.96Å
13	P	52.1	Low	43	Very low	67 Å²	67	88.8 Å²	88.8	44%	0.435	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	126.8	172.7	25	-29.1	0	0	0	109.4	Q15 T70 F72	P13-Q15 PolarHBondContact O-N 3.07Å; P13-T70 HydrophobicContact CB-CG2 3.75Å; P13-F72 HydrophobicContact CB-CD1 4.23Å; P13-F72 HydrophobicContact CB-CE1 3.67Å; P13-F72 HydrophobicContact CB-CZ 4.24Å
14	V	54.7	Low	44.5	Very low	12 Å²	12	84.9 Å²	84.9	7%	0.073	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	121.5	165.3	-76.9	0	0	0	0	108.7	L6 S12 W28 L71	L6-V14 HydrophobicContact CD1-CG1 3.78Å; L6-V14 HydrophobicContact CD2-CG1 3.91Å; L6-V14 HydrophobicContact CG-CG1 3.88Å; S12-V14 PolarHBondContact O-N 2.96Å; V14-W28 HydrophobicContact CB-CH2 4.13Å; V14-W28 HydrophobicContact CG1-CH2 3.39Å; V14-W28 HydrophobicContact CG1-CZ2 4.47Å; V14-W28 HydrophobicContact CG1-CZ3 3.81Å; V14-W28 HydrophobicContact CG2-CH2 3.6Å; V14-W28 HydrophobicContact CG2-CZ2 3.9Å; V14-L71 HydrophobicContact CG2-CB 3.58Å; V14-L71 WeakPolarHBondContact CG2-O 3.31Å; V14-L71 PolarHBondContact N-O 3.12Å
15	Q	47	Very low	45.9	Very low	159 Å²	159	85.6 Å²	85.6	74%	0.743	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-74.4	133.9	-175.6	-59.1	-157.8	-38.5	0	0	110.7	P13	P13-Q15 PolarHBondContact O-N 3.07Å
16	P	45.6	Very low	48	Very low	79 Å²	79	81.3 Å²	81.3	51%	0.513	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-73.4	129.1	175.5	27.7	-30.6	0	0	0	110.2
17	L	48.2	Very low	49.9	Very low	136 Å²	136	81.8 Å²	81.8	71%	0.712	48%	0.482	S	S	*	.	S	Bend	trans	-77.8	-17.7	-175.7	-169.4	58.6	0	0	0	114.4	A2	A2-L17 HydrophobicContact CB-CD2 4.18Å
18	D	38.3	Very low	52.3	Low	125 Å²	125	73.5 Å²	73.5	67%	0.668	44%	0.443	S	S	*	.			trans	-162.9	135.4	175.4	-124.3	-74.6	0	0	0	113.4	L20	D18-L20 PolarHBondContact O-N 3.34Å
19	S	45.3	Very low	54.5	Low	121 Å²	121	72.1 Å²	72.1	85%	0.846	43%	0.425	S	S	*	.	S	Bend	trans	-68.2	28.1	-169.8	-59.9	0	0	0	0	116.2
20	L	35.1	Very low	56.6	Low	166 Å²	166	67.4 Å²	67.4	87%	0.869	39%	0.392	S	S	*	.	S	Bend	trans	-147	57.4	177.6	-106.9	118.4	0	0	0	112.9	D18	D18-L20 PolarHBondContact O-N 3.34Å
21	S	42.5	Very low	58.6	Low	53 Å²	53	69.8 Å²	69.8	37%	0.371	39%	0.392	S	S	.	.			trans	178.8	114.8	149.5	30.9	0	0	0	0	107.7	A23 R90	S21-A23 PolarHBondContact O-N 2.84Å; S21-R90 PolarHBondContact OG-NH1 2.84Å
22	V	49.6	Very low	60.2	Low	71 Å²	71	65.8 Å²	65.8	43%	0.43	37%	0.374	S	S	.	.			trans	-34.5	117.7	153.7	163.2	0	0	0	0	106.8	L24	V22-L24 WeakPolarHBondContact O-CA 3.46Å; V22-L24 PolarHBondContact O-N 3.2Å
23	A	56.8	Low	61.3	Low	21 Å²	21	70.3 Å²	70.3	17%	0.174	40%	0.402	C	S	.	.			trans	-50.1	105.6	-176.8	0	0	0	0	0	108.3	S21 E25 S45 R64 L71	S21-A23 PolarHBondContact O-N 2.84Å; A23-E25 PolarHBondContact O-N 2.8Å; A23-E25 VanDerWaalsContact O-N 3.16Å; A23-S45 WeakPolarHBondContact O-CA 3.17Å; A23-R64 PolarHBondContact O-NH1 2.75Å; A23-R64 PolarHBondContact O-NH2 2.92Å; A23-L71 HydrophobicContact CB-CD1 4.24Å
24	L	62.6	Low	62.4	Low	105 Å²	105	76.1 Å²	76.1	55%	0.55	42%	0.423	S	S	.	.	S	Bend	trans	-64.8	-25.5	-166.4	-73.4	165.4	0	0	0	110.8	V22 S45	V22-L24 WeakPolarHBondContact O-CA 3.46Å; V22-L24 PolarHBondContact O-N 3.2Å; L24-S45 WeakPolarHBondContact O-CA 3.47Å; L24-S45 WeakPolarHBondContact O-CB 3.43Å; L24-S45 PolarHBondContact O-N 2.74Å; L24-S45 PolarHBondContact O-OG 2.9Å
25	E	69.9	Low	63.1	Low	51 Å²	51	81.5 Å²	81.5	24%	0.238	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.3	140.7	177.9	45.8	-159.1	85.5	0	0	106.8	A23 Y42 I43 R91	A23-E25 PolarHBondContact O-N 2.8Å; A23-E25 VanDerWaalsContact O-N 3.16Å; E25-Y42 HydrophobicContact CB-CE2 3.99Å; E25-I43 CarbonylContact C-O 3.54Å; E25-I43 WeakPolarHBondContact CA-O 3.32Å; E25-R91 HydrophobicContact CG-CB 4.1Å; E25-R91 HydrophobicContact CG-CG 4.38Å; E25-R91 WeakPolarHBondContact OE2-CD 3.17Å; E25-R91 WeakPolarHBondContact OE2-CG 3.24Å; E25-R91 IonicContact OE2-NE 3.38Å
26	C	76.6	Confident	64.8	Low	7 Å²	7	76.6 Å²	76.6	5%	0.047	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	125.9	175.6	-106.9	0	0	0	0	108.6	I43 L71 C88	C26-I43 HydrophobicContact CB-CG2 3.66Å; C26-I43 PolarHBondContact N-O 3.23Å; C26-I43 PolarHBondContact O-N 3.16Å; C26-L71 HydrophobicContact CB-CD1 3.63Å; C26-L71 WeakPolarHBondContact SG-CD1 3.37Å; C26-C88 WeakPolarHBondContact CA-SG 3.12Å; C26-C88 HydrophobicContact CB-CB 4.16Å; C26-C88 WeakPolarHBondContact CB-SG 3.23Å; C26-C88 WeakPolarHBondContact SG-CB 3.14Å; C26-C88 CovalentContact SG-SG 2.04Å; C26-C88 PolarHBondContact SG-SG 3.44Å
27	T	81	Confident	66.6	Low	31 Å²	31	78.3 Å²	78.3	19%	0.19	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	113.9	171.4	-56.1	0	0	0	0	108.1	W39 C88 A89	T27-W39 VanDerWaalsContact CG2-NE1 3.35Å; T27-C88 CarbonylContact O-C 3.45Å; T27-C88 WeakPolarHBondContact O-CA 3.49Å; T27-A89 WeakPolarHBondContact CB-O 3.46Å; T27-A89 PolarHBondContact N-O 2.85Å; T27-A89 PolarHBondContact O-N 2.77Å
28	W	80.9	Confident	68.3	Low	0 Å²	0	75 Å²	75	0%	0	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	130.6	174.4	-70.3	97.3	0	0	0	110.4	L6 V14 V40 A41 I62 L71 L73 Y87	L6-W28 HydrophobicContact CD1-CH2 4.14Å; L6-W28 HydrophobicContact CD1-CZ3 3.55Å; V14-W28 HydrophobicContact CB-CH2 4.13Å; V14-W28 HydrophobicContact CG1-CH2 3.39Å; V14-W28 HydrophobicContact CG1-CZ2 4.47Å; V14-W28 HydrophobicContact CG1-CZ3 3.81Å; V14-W28 HydrophobicContact CG2-CH2 3.6Å; V14-W28 HydrophobicContact CG2-CZ2 3.9Å; W28-V40 HydrophobicContact CB-CB 4.16Å; W28-V40 PolarHBondContact O-N 3.29Å; W28-A41 WeakPolarHBondContact CA-O 3.1Å; W28-A41 HydrophobicContact CB-CB 4.12Å; W28-A41 PolarHBondContact N-O 3.38Å; W28-A41 PolarHBondContact O-N 2.88Å; W28-I62 VanDerWaalsContact CD1-CD1 3.47Å; W28-I62 HydrophobicContact CG-CD1 4.34Å; W28-L71 HydrophobicContact CZ2-CB 4.33Å; W28-L73 HydrophobicContact CD2-CD2 4.23Å; W28-L73 HydrophobicContact CE3-CD2 3.89Å; W28-L73 HydrophobicContact CH2-CB 3.69Å; W28-L73 HydrophobicContact CH2-CD2 4.41Å; W28-L73 HydrophobicContact CZ2-CB 3.81Å; W28-L73 HydrophobicContact CZ3-CB 4.14Å; W28-L73 HydrophobicContact CZ3-CD2 4Å; W28-Y87 WeakPolarHBondContact CA-O 3.46Å
29	V	82.2	Confident	70.6	Confident	21 Å²	21	74.3 Å²	74.3	13%	0.127	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	143.9	-176.9	-98.7	0	0	0	0	107.2	E38 W39 Y86 Y87 A89	V29-E38 CarbonylContact C-O 3.51Å; V29-E38 VanDerWaalsContact CA-O 3.24Å; V29-E38 WeakPolarHBondContact CA-O 3.18Å; V29-W39 HydrophobicContact CG1-CB 4.28Å; V29-Y86 WeakPolarHBondContact O-CA 2.87Å; V29-Y87 VanDerWaalsContact C-CZ 3.45Å; V29-Y87 HydrophobicContact CB-CD2 3.81Å; V29-Y87 HydrophobicContact CB-CE2 3.21Å; V29-Y87 HydrophobicContact CG1-CE2 4.34Å; V29-Y87 HydrophobicContact CG2-CD2 3.17Å; V29-Y87 HydrophobicContact CG2-CE2 3.06Å; V29-Y87 HydrophobicContact CG2-CG 4.14Å; V29-Y87 WeakPolarHBondContact CG2-O 3.44Å; V29-Y87 PolarHBondContact N-O 3.13Å; V29-Y87 WeakPolarHBondContact O-CD1 3.33Å; V29-Y87 VanDerWaalsContact O-CE1 3.29Å; V29-Y87 WeakPolarHBondContact O-CE1 3.09Å; V29-Y87 PolarHBondContact O-N 3.39Å; V29-A89 HydrophobicContact CG2-CB 4.1Å
30	R	82.4	Confident	72.5	Confident	17 Å²	17	68.6 Å²	68.6	6%	0.064	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	143.8	-179.9	72.5	-179.7	-176.8	-175.6	3.5	111.2	L37 E38 V40 D82 A84 M85 Y86 Y87	R30-L37 CarbonylContact O-C 3.44Å; R30-L37 WeakPolarHBondContact O-CA 3.5Å; R30-E38 HydrophobicContact CG-CB 3.94Å; R30-E38 IonicContact CZ-OE2 3.87Å; R30-E38 PolarHBondContact N-O 3.09Å; R30-E38 IonicContact NE-OE2 3.84Å; R30-E38 PolarHBondContact NE-OE2 2.87Å; R30-E38 IonicContact NH2-OE2 3.92Å; R30-E38 PolarHBondContact NH2-OE2 3.11Å; R30-E38 PolarHBondContact O-N 3.45Å; R30-V40 HydrophobicContact CB-CG2 3.66Å; R30-V40 HydrophobicContact CG-CG2 3.51Å; R30-D82 IonicContact CZ-OD1 2.91Å; R30-D82 IonicContact NH1-OD1 2.96Å; R30-D82 PolarHBondContact NH1-OD1 2.78Å; R30-A84 HydrophobicContact CB-CB 3.94Å; R30-A84 HydrophobicContact CG-CB 4.28Å; R30-M85 CarbonylContact C-O 3.58Å; R30-M85 WeakPolarHBondContact CA-O 3.29Å; R30-Y86 HydrophobicContact CB-CD1 3.62Å; R30-Y86 HydrophobicContact CB-CE1 3.56Å; R30-Y86 HydrophobicContact CB-CG 4.14Å; R30-Y86 HydrophobicContact CG-CE1 4.27Å; R30-Y87 PolarHBondContact N-OH 2.88Å; R30-Y87 PolarHBondContact O-OH 3.27Å; R30-Y87 VanDerWaalsContact O-OH 3.07Å
31	Q	83	Confident	74.9	Confident	89 Å²	89	60.7 Å²	60.7	42%	0.416	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	111	178.4	-167.8	175.4	33.5	0	0	107.4	L37 A84 M85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.88Å; Q31-L37 HydrophobicContact CG-CD2 3.85Å; Q31-A84 WeakPolarHBondContact O-CA 3.45Å; Q31-A84 WeakPolarHBondContact O-CB 3.43Å; Q31-M85 PolarHBondContact N-O 2.74Å; Q31-M85 PolarHBondContact O-N 3.03Å; Q31-Y87 HydrophobicContact CB-CE1 3.63Å
32	A	79.8	Confident	76.9	Confident	18 Å²	18	61 Å²	61	15%	0.149	32%	0.323	C	S	.	.			trans	-83.8	150.3	169.9	0	0	0	0	0	109	E34 K35 A84	A32-E34 PolarHBondContact O-N 3.24Å; A32-K35 CarbonylContact C-O 3.56Å; A32-K35 HydrophobicContact CB-CB 3.99Å; A32-K35 PolarHBondContact N-O 3.02Å; A32-K35 PolarHBondContact O-N 3.35Å; A32-A84 HydrophobicContact CB-CB 4.22Å
33	P	73.1	Confident	78.3	Confident	127 Å²	127	57.7 Å²	57.7	83%	0.825	30%	0.302	S	S	*	.	S	Bend	trans	-61.6	-25.7	178.3	21.5	-30.9	0	0	0	112.8
34	E	76.6	Confident	79.3	Confident	189 Å²	189	57.4 Å²	57.4	88%	0.883	30%	0.299	S	S	*	.	S	Bend	trans	-108.2	-6.2	-179.2	-60.2	-171.3	108.7	0	0	114.2	A32	A32-E34 PolarHBondContact O-N 3.24Å
35	K	68.9	Low	79.8	Confident	126 Å²	126	54.9 Å²	54.9	55%	0.548	29%	0.291	S	S	.	.	S	Bend	trans	-132.5	142	-179.8	-71.8	175.7	175.2	176.4	0	109.7	A32	A32-K35 CarbonylContact C-O 3.56Å; A32-K35 HydrophobicContact CB-CB 3.99Å; A32-K35 PolarHBondContact N-O 3.02Å; A32-K35 PolarHBondContact O-N 3.35Å
36	G	81.9	Confident	79.7	Confident	55 Å²	55	54.7 Å²	54.7	57%	0.567	30%	0.302	S	S	*	.			trans	-58.9	-176.4	-178.7	0	0	0	0	0	114.5	E38	G36-E38 PolarHBondContact O-N 3.04Å
37	L	83.5	Confident	79.5	Confident	115 Å²	115	56.3 Å²	56.3	60%	0.602	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.2	119.1	175.1	-54.1	167.8	0	0	0	109.5	R30 Q31 Y87	R30-L37 CarbonylContact O-C 3.44Å; R30-L37 WeakPolarHBondContact O-CA 3.5Å; Q31-L37 HydrophobicContact CB-CD2 3.88Å; Q31-L37 HydrophobicContact CG-CD2 3.85Å; L37-Y87 WeakPolarHBondContact CA-OH 3.24Å; L37-Y87 VanDerWaalsContact CB-OH 3.31Å; L37-Y87 WeakPolarHBondContact CB-OH 3.45Å; L37-Y87 HydrophobicContact CD2-CE1 4.08Å; L37-Y87 HydrophobicContact CD2-CE2 3.83Å; L37-Y87 WeakPolarHBondContact CD2-OH 3.32Å
38	E	84.9	Confident	79.2	Confident	66 Å²	66	59.9 Å²	59.9	31%	0.308	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	135.5	176.5	-67.4	-169.4	119.2	0	0	110.5	V29 R30 G36	V29-E38 CarbonylContact C-O 3.51Å; V29-E38 VanDerWaalsContact CA-O 3.24Å; V29-E38 WeakPolarHBondContact CA-O 3.18Å; R30-E38 HydrophobicContact CG-CB 3.94Å; R30-E38 IonicContact CZ-OE2 3.87Å; R30-E38 PolarHBondContact N-O 3.09Å; R30-E38 IonicContact NE-OE2 3.84Å; R30-E38 PolarHBondContact NE-OE2 2.87Å; R30-E38 IonicContact NH2-OE2 3.92Å; R30-E38 PolarHBondContact NH2-OE2 3.11Å; R30-E38 PolarHBondContact O-N 3.45Å; G36-E38 PolarHBondContact O-N 3.04Å
39	W	86.8	Confident	79.3	Confident	112 Å²	112	62.4 Å²	62.4	42%	0.424	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	132.1	172.9	-179.9	79.9	0	0	0	110.9	T27 V29 A41 A53	T27-W39 VanDerWaalsContact CG2-NE1 3.35Å; V29-W39 HydrophobicContact CG1-CB 4.28Å; W39-A41 VanDerWaalsContact CZ2-C 3.44Å; W39-A41 PolarHBondContact NE1-O 2.88Å; W39-A53 HydrophobicContact CE3-CB 3.7Å; W39-A53 HydrophobicContact CZ3-CB 3.66Å; W39-A53 WeakPolarHBondContact O-CB 3.34Å
40	V	84.2	Confident	79.3	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-49.8	-174.8	175.4	0	0	0	0	110.9	W28 R30 A53 V56 F60 Y86	W28-V40 HydrophobicContact CB-CB 4.16Å; W28-V40 PolarHBondContact O-N 3.29Å; R30-V40 HydrophobicContact CB-CG2 3.66Å; R30-V40 HydrophobicContact CG-CG2 3.51Å; V40-A53 WeakPolarHBondContact O-CB 3.39Å; V40-A53 PolarHBondContact O-N 2.89Å; V40-V56 HydrophobicContact CG1-CB 4.31Å; V40-V56 HydrophobicContact CG1-CG1 3.97Å; V40-V56 HydrophobicContact CG1-CG2 3.83Å; V40-V56 VanDerWaalsContact O-CG2 3.26Å; V40-V56 WeakPolarHBondContact O-CG2 3.5Å; V40-F60 HydrophobicContact CG1-CD1 4.36Å; V40-Y86 HydrophobicContact CG1-CE1 4.38Å; V40-Y86 HydrophobicContact CG2-CD1 4.26Å; V40-Y86 HydrophobicContact CG2-CE1 4.02Å
41	A	84.8	Confident	79.6	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	166.5	-174.7	0	0	0	0	0	111.9	W28 W39 Y51 Y52 I62	W28-A41 WeakPolarHBondContact CA-O 3.1Å; W28-A41 HydrophobicContact CB-CB 4.12Å; W28-A41 PolarHBondContact N-O 3.38Å; W28-A41 PolarHBondContact O-N 2.88Å; W39-A41 VanDerWaalsContact CZ2-C 3.44Å; W39-A41 PolarHBondContact NE1-O 2.88Å; A41-Y51 CarbonylContact C-O 3.6Å; A41-Y51 WeakPolarHBondContact CA-O 3.34Å; A41-Y51 WeakPolarHBondContact CB-O 3.25Å; A41-Y52 HydrophobicContact CB-CD1 4.07Å; A41-I62 HydrophobicContact CB-CD1 3.3Å
42	Y	84.5	Confident	79.7	Confident	61 Å²	61	69 Å²	69	24%	0.239	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	137.9	176	169.6	-93	0	0	0	109.6	E25 I50 Y51	E25-Y42 HydrophobicContact CB-CE2 3.99Å; Y42-I50 CarbonylContact O-C 3.55Å; Y42-I50 VanDerWaalsContact O-CA 3.24Å; Y42-I50 WeakPolarHBondContact O-CA 3.26Å; Y42-Y51 AromaticContact CD1-CD2 3.81Å; Y42-Y51 HydrophobicContact CD1-CD2 3.81Å; Y42-Y51 HydrophobicContact CD1-CE2 4.44Å; Y42-Y51 PolarHBondContact N-O 2.88Å; Y42-Y51 PolarHBondContact O-N 3.03Å
43	I	79.3	Confident	80.1	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	128	173.6	-179.1	162.2	0	0	0	110.5	E25 C26 I50 I62 L71	E25-I43 CarbonylContact C-O 3.54Å; E25-I43 WeakPolarHBondContact CA-O 3.32Å; C26-I43 HydrophobicContact CB-CG2 3.66Å; C26-I43 PolarHBondContact N-O 3.23Å; C26-I43 PolarHBondContact O-N 3.16Å; I43-I50 HydrophobicContact CB-CG1 4.5Å; I43-I50 HydrophobicContact CD1-CD1 4.11Å; I43-I50 HydrophobicContact CD1-CG1 4.11Å; I43-I50 HydrophobicContact CG1-CG1 4.1Å; I43-I62 HydrophobicContact CB-CG2 4.26Å; I43-I62 HydrophobicContact CD1-CG2 3.56Å; I43-I62 HydrophobicContact CG2-CG2 4.23Å; I43-L71 HydrophobicContact CD1-CD2 3.88Å; I43-L71 HydrophobicContact CG2-CD1 4.4Å; I43-L71 HydrophobicContact CG2-CD2 4.11Å
44	S	78.8	Confident	80.6	Confident	15 Å²	15	69 Å²	69	11%	0.105	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	160.3	173.2	58.5	0	0	0	0	113.2	G46 S47 S48 T49	S44-G46 VanDerWaalsContact C-N 3.26Å; S44-G46 PolarHBondContact O-N 2.86Å; S44-S47 PolarHBondContact O-N 3.02Å; S44-S48 PolarHBondContact OG-N 2.04Å; S44-T49 PolarHBondContact N-O 2.87Å; S44-T49 PolarHBondContact OG-N 2.79Å; S44-T49 PolarHBondContact OG-O 2.98Å; S44-T49 VanDerWaalsContact OG-O 3.06Å
45	S	71.8	Confident	80.7	Confident	53 Å²	53	64.5 Å²	64.5	37%	0.371	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.9	-43.1	175.6	42.8	0	0	0	0	114.7	A23 L24 S47 R64	A23-S45 WeakPolarHBondContact O-CA 3.17Å; L24-S45 WeakPolarHBondContact O-CA 3.47Å; L24-S45 WeakPolarHBondContact O-CB 3.43Å; L24-S45 PolarHBondContact O-N 2.74Å; L24-S45 PolarHBondContact O-OG 2.9Å; S45-S47 VanDerWaalsContact C-N 3.27Å; S45-S47 PolarHBondContact O-N 3.06Å; S45-R64 PolarHBondContact O-NH1 2.8Å
46	G	68.8	Low	81.2	Confident	46 Å²	46	58.7 Å²	58.7	47%	0.474	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-1.7	-178.1	0	0	0	0	0	114	S44 S48	S44-G46 VanDerWaalsContact C-N 3.26Å; S44-G46 PolarHBondContact O-N 2.86Å; G46-S48 PolarHBondContact O-N 3.41Å
47	S	71.6	Confident	81.2	Confident	41 Å²	41	62.9 Å²	62.9	29%	0.287	33%	0.334	S	S	.	.	S	Bend	trans	54.2	13.7	-164.2	-167	0	0	0	0	113.5	S44 S45 T49	S44-S47 PolarHBondContact O-N 3.02Å; S45-S47 VanDerWaalsContact C-N 3.27Å; S45-S47 PolarHBondContact O-N 3.06Å; S47-T49 VanDerWaalsContact C-N 3.3Å
48	S	75.6	Confident	81	Confident	107 Å²	107	61.3 Å²	61.3	75%	0.748	35%	0.346	S	S	*	.	S	Bend	trans	-72.8	-28.2	-178.4	-53.5	0	0	0	0	111.8	S44 G46	S44-S48 PolarHBondContact OG-N 2.04Å; G46-S48 PolarHBondContact O-N 3.41Å
49	T	82.4	Confident	80.8	Confident	52 Å²	52	58.7 Å²	58.7	32%	0.319	34%	0.336	S	S	.	.			trans	-126	123.6	177.6	-48	0	0	0	0	109.5	S44 S47 Y51	S44-T49 PolarHBondContact N-O 2.87Å; S44-T49 PolarHBondContact OG-N 2.79Å; S44-T49 PolarHBondContact OG-O 2.98Å; S44-T49 VanDerWaalsContact OG-O 3.06Å; S47-T49 VanDerWaalsContact C-N 3.3Å; T49-Y51 HydrophobicContact CG2-CD2 3.94Å; T49-Y51 HydrophobicContact CG2-CE1 4.29Å; T49-Y51 HydrophobicContact CG2-CE2 3.24Å; T49-Y51 VanDerWaalsContact CG2-CZ 3.44Å
50	I	83.8	Confident	80.5	Confident	51 Å²	51	53.8 Å²	53.8	26%	0.262	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	126.1	173.6	-50	175.9	0	0	0	107.8	Y42 I43 Y52 I62	Y42-I50 CarbonylContact O-C 3.55Å; Y42-I50 VanDerWaalsContact O-CA 3.24Å; Y42-I50 WeakPolarHBondContact O-CA 3.26Å; I43-I50 HydrophobicContact CB-CG1 4.5Å; I43-I50 HydrophobicContact CD1-CD1 4.11Å; I43-I50 HydrophobicContact CD1-CG1 4.11Å; I43-I50 HydrophobicContact CG1-CG1 4.1Å; I50-Y52 HydrophobicContact CB-CE2 4.21Å; I50-Y52 HydrophobicContact CG2-CD2 4.21Å; I50-Y52 HydrophobicContact CG2-CE1 4.14Å; I50-Y52 HydrophobicContact CG2-CE2 3.5Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.48Å; I50-I62 HydrophobicContact CG2-CB 4.37Å; I50-I62 HydrophobicContact CG2-CD1 4.13Å
51	Y	87	Confident	80.2	Confident	142 Å²	142	56.4 Å²	56.4	56%	0.557	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.2	144.1	172.5	-63.5	-68.3	0	0	0	109.6	A41 Y42 T49	A41-Y51 CarbonylContact C-O 3.6Å; A41-Y51 WeakPolarHBondContact CA-O 3.34Å; A41-Y51 WeakPolarHBondContact CB-O 3.25Å; Y42-Y51 AromaticContact CD1-CD2 3.81Å; Y42-Y51 HydrophobicContact CD1-CD2 3.81Å; Y42-Y51 HydrophobicContact CD1-CE2 4.44Å; Y42-Y51 PolarHBondContact N-O 2.88Å; Y42-Y51 PolarHBondContact O-N 3.03Å; T49-Y51 HydrophobicContact CG2-CD2 3.94Å; T49-Y51 HydrophobicContact CG2-CE1 4.29Å; T49-Y51 HydrophobicContact CG2-CE2 3.24Å; T49-Y51 VanDerWaalsContact CG2-CZ 3.44Å
52	Y	86.9	Confident	79.9	Confident	72 Å²	72	56.8 Å²	56.8	28%	0.282	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	142.6	178	-61.8	-86.6	0	0	0	108.6	A41 I50 F60 I62	A41-Y52 HydrophobicContact CB-CD1 4.07Å; I50-Y52 HydrophobicContact CB-CE2 4.21Å; I50-Y52 HydrophobicContact CG2-CD2 4.21Å; I50-Y52 HydrophobicContact CG2-CE1 4.14Å; I50-Y52 HydrophobicContact CG2-CE2 3.5Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.48Å; Y52-F60 WeakPolarHBondContact CE1-O 3.47Å; Y52-I62 HydrophobicContact CE1-CB 4.5Å; Y52-I62 HydrophobicContact CE1-CD1 3.92Å; Y52-I62 HydrophobicContact CE1-CG1 4.03Å; Y52-I62 PolarHBondContact OH-N 3.43Å; Y52-I62 VanDerWaalsContact OH-N 3.13Å
53	A	86.7	Confident	79.4	Confident	12 Å²	12	56.4 Å²	56.4	10%	0.099	34%	0.342	C	S	.	.			trans	-67.6	145.3	167.1	0	0	0	0	0	109.6	W39 V40 T55 V56 K57	W39-A53 HydrophobicContact CE3-CB 3.7Å; W39-A53 HydrophobicContact CZ3-CB 3.66Å; W39-A53 WeakPolarHBondContact O-CB 3.34Å; V40-A53 WeakPolarHBondContact O-CB 3.39Å; V40-A53 PolarHBondContact O-N 2.89Å; A53-T55 PolarHBondContact O-N 3.04Å; A53-T55 VanDerWaalsContact O-N 3.12Å; A53-V56 HydrophobicContact CB-CG2 4.08Å; A53-V56 VanDerWaalsContact O-CG2 3.25Å; A53-V56 WeakPolarHBondContact O-CG2 3.35Å; A53-V56 PolarHBondContact O-N 2.87Å; A53-K57 PolarHBondContact O-N 2.78Å
54	D	84.9	Confident	79.2	Confident	135 Å²	135	58 Å²	58	72%	0.722	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-25.1	-179.7	-75.9	-73.8	0	0	0	113	V56 K57	D54-V56 VanDerWaalsContact C-N 3.31Å; D54-V56 PolarHBondContact O-N 2.66Å; D54-K57 IonicContact OD1-NZ 2.74Å
55	T	78.7	Confident	78.9	Confident	94 Å²	94	59.6 Å²	59.6	58%	0.577	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-31.2	176.1	52.1	0	0	0	0	113.4	A53	A53-T55 PolarHBondContact O-N 3.04Å; A53-T55 VanDerWaalsContact O-N 3.12Å
56	V	78.3	Confident	78.8	Confident	3 Å²	3	61.7 Å²	61.7	2%	0.018	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-6	-175.4	-63.3	0	0	0	0	113.1	V40 A53 D54 G58 G59 F60	V40-V56 HydrophobicContact CG1-CB 4.31Å; V40-V56 HydrophobicContact CG1-CG1 3.97Å; V40-V56 HydrophobicContact CG1-CG2 3.83Å; V40-V56 VanDerWaalsContact O-CG2 3.26Å; V40-V56 WeakPolarHBondContact O-CG2 3.5Å; A53-V56 HydrophobicContact CB-CG2 4.08Å; A53-V56 VanDerWaalsContact O-CG2 3.25Å; A53-V56 WeakPolarHBondContact O-CG2 3.35Å; A53-V56 PolarHBondContact O-N 2.87Å; D54-V56 VanDerWaalsContact C-N 3.31Å; D54-V56 PolarHBondContact O-N 2.66Å; V56-G58 PolarHBondContact O-N 3.16Å; V56-G59 PolarHBondContact O-N 3.27Å; V56-G59 VanDerWaalsContact O-N 3.07Å; V56-F60 HydrophobicContact CB-CB 4.11Å; V56-F60 HydrophobicContact CB-CD1 4.29Å; V56-F60 HydrophobicContact CB-CD2 3.37Å; V56-F60 HydrophobicContact CB-CE2 3.74Å; V56-F60 HydrophobicContact CB-CG 3.69Å; V56-F60 HydrophobicContact CB-CZ 4.36Å; V56-F60 HydrophobicContact CG1-CD1 4.34Å; V56-F60 HydrophobicContact CG1-CD2 3.75Å; V56-F60 HydrophobicContact CG1-CE1 4.19Å; V56-F60 HydrophobicContact CG1-CE2 3.56Å; V56-F60 HydrophobicContact CG1-CG 4.15Å; V56-F60 HydrophobicContact CG1-CZ 3.8Å; V56-F60 HydrophobicContact CG2-CG 4.49Å; V56-F60 WeakPolarHBondContact O-CD2 3.18Å; V56-F60 PolarHBondContact O-N 3.37Å; V56-F60 VanDerWaalsContact O-N 3.16Å
57	K	81.3	Confident	78.9	Confident	143 Å²	143	65.1 Å²	65.1	62%	0.622	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	121.8	-178.2	-167.4	178.4	-173.2	178.5	0	110.4	A53 D54	A53-K57 PolarHBondContact O-N 2.78Å; D54-K57 IonicContact OD1-NZ 2.74Å
58	G	80.6	Confident	78.6	Confident	83 Å²	83	70.1 Å²	70.1	86%	0.856	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.5	-8.1	-179.7	0	0	0	0	0	115.4	V56	V56-G58 PolarHBondContact O-N 3.16Å
59	G	80.7	Confident	78.3	Confident	10 Å²	10	68.9 Å²	68.9	10%	0.103	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-19.8	173	0	0	0	0	0	114.2	V56 T76	V56-G59 PolarHBondContact O-N 3.27Å; V56-G59 VanDerWaalsContact O-N 3.07Å; G59-T76 PolarHBondContact O-N 3.07Å; G59-T76 PolarHBondContact O-OG1 3.24Å
60	F	79.3	Confident	77.7	Confident	9 Å²	9	67.2 Å²	67.2	4%	0.039	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	137.4	-175.1	-68.8	-120.5	0	0	0	110	V40 Y52 V56 L73 Q74 M75 L78 D82 Y86	V40-F60 HydrophobicContact CG1-CD1 4.36Å; Y52-F60 WeakPolarHBondContact CE1-O 3.47Å; V56-F60 HydrophobicContact CB-CB 4.11Å; V56-F60 HydrophobicContact CB-CD1 4.29Å; V56-F60 HydrophobicContact CB-CD2 3.37Å; V56-F60 HydrophobicContact CB-CE2 3.74Å; V56-F60 HydrophobicContact CB-CG 3.69Å; V56-F60 HydrophobicContact CB-CZ 4.36Å; V56-F60 HydrophobicContact CG1-CD1 4.34Å; V56-F60 HydrophobicContact CG1-CD2 3.75Å; V56-F60 HydrophobicContact CG1-CE1 4.19Å; V56-F60 HydrophobicContact CG1-CE2 3.56Å; V56-F60 HydrophobicContact CG1-CG 4.15Å; V56-F60 HydrophobicContact CG1-CZ 3.8Å; V56-F60 HydrophobicContact CG2-CG 4.49Å; V56-F60 WeakPolarHBondContact O-CD2 3.18Å; V56-F60 PolarHBondContact O-N 3.37Å; V56-F60 VanDerWaalsContact O-N 3.16Å; F60-L73 HydrophobicContact CD1-CD1 4.21Å; F60-L73 HydrophobicContact CD1-CD2 4.34Å; F60-L73 HydrophobicContact CD1-CG 4.38Å; F60-Q74 CarbonylContact C-O 3.59Å; F60-Q74 WeakPolarHBondContact CA-O 2.97Å; F60-M75 HydrophobicContact CD1-CB 4.44Å; F60-M75 HydrophobicContact CD1-CG 3.54Å; F60-M75 HydrophobicContact CD1-SD 4.1Å; F60-M75 HydrophobicContact CE1-CB 4.38Å; F60-M75 HydrophobicContact CE1-CG 3.54Å; F60-M75 HydrophobicContact CE1-SD 3.54Å; F60-M75 VanDerWaalsContact CE1-SD 3.54Å; F60-M75 HydrophobicContact CG-CG 4.28Å; F60-M75 HydrophobicContact CZ-CG 4.29Å; F60-M75 HydrophobicContact CZ-SD 4.27Å; F60-L78 HydrophobicContact CZ-CD2 4.21Å; F60-D82 HydrophobicContact CZ-CB 4.15Å; F60-Y86 AromaticContact CE1-CE1 3.65Å; F60-Y86 HydrophobicContact CE1-CE1 3.65Å; F60-Y86 AromaticContact CE1-CZ 3.8Å; F60-Y86 HydrophobicContact CZ-CE1 4.35Å; F60-Y86 WeakPolarHBondContact CZ-OH 3.47Å
61	T	78.6	Confident	77.1	Confident	56 Å²	56	65.2 Å²	65.2	34%	0.344	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	123.3	-178.7	-59.9	0	0	0	0	108.8	Q74	T61-Q74 PolarHBondContact N-O 3.5Å; T61-Q74 PolarHBondContact O-N 3.01Å
62	I	78.2	Confident	76.5	Confident	7 Å²	7	61.2 Å²	61.2	4%	0.036	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	131.5	175.7	-64	164	0	0	0	109.5	W28 A41 I43 I50 Y52 L71 F72 L73	W28-I62 VanDerWaalsContact CD1-CD1 3.47Å; W28-I62 HydrophobicContact CG-CD1 4.34Å; A41-I62 HydrophobicContact CB-CD1 3.3Å; I43-I62 HydrophobicContact CB-CG2 4.26Å; I43-I62 HydrophobicContact CD1-CG2 3.56Å; I43-I62 HydrophobicContact CG2-CG2 4.23Å; I50-I62 HydrophobicContact CG2-CB 4.37Å; I50-I62 HydrophobicContact CG2-CD1 4.13Å; Y52-I62 HydrophobicContact CE1-CB 4.5Å; Y52-I62 HydrophobicContact CE1-CD1 3.92Å; Y52-I62 HydrophobicContact CE1-CG1 4.03Å; Y52-I62 PolarHBondContact OH-N 3.43Å; Y52-I62 VanDerWaalsContact OH-N 3.13Å; I62-L71 HydrophobicContact CG2-CD2 4.47Å; I62-F72 CarbonylContact C-O 3.49Å; I62-F72 WeakPolarHBondContact CA-O 3.5Å; I62-L73 HydrophobicContact CD1-CD1 4.14Å; I62-L73 HydrophobicContact CG1-CD1 3.42Å; I62-L73 VanDerWaalsContact CG1-CD1 3.42Å
63	S	74.4	Confident	75.9	Confident	53 Å²	53	57.9 Å²	57.9	37%	0.371	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	149.1	176.5	-62.1	0	0	0	0	110.3	F72	S63-F72 PolarHBondContact N-O 2.83Å; S63-F72 PolarHBondContact O-N 2.76Å
64	R	74.5	Confident	75.4	Confident	33 Å²	33	60.7 Å²	60.7	13%	0.125	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	131	174.3	-175.7	178.6	-76.2	-148.2	-5.2	109.5	A23 S45 N66 L71	A23-R64 PolarHBondContact O-NH1 2.75Å; A23-R64 PolarHBondContact O-NH2 2.92Å; S45-R64 PolarHBondContact O-NH1 2.8Å; R64-N66 WeakPolarHBondContact CD-OD1 3.01Å; R64-L71 HydrophobicContact CB-CD2 3.75Å; R64-L71 HydrophobicContact CG-CD2 3.95Å; R64-L71 HydrophobicContact CG-CG 4.48Å
65	D	73.4	Confident	75	Confident	50 Å²	50	55.9 Å²	55.9	27%	0.267	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	99.4	165.7	-169.1	-80.5	0	0	0	108.3	P67 K68 N69 T70 F72	D65-P67 VanDerWaalsContact OD1-CD 3.23Å; D65-P67 WeakPolarHBondContact OD1-CD 3.44Å; D65-P67 VanDerWaalsContact OD1-CG 3.24Å; D65-P67 WeakPolarHBondContact OD1-CG 3.39Å; D65-K68 HydrophobicContact CB-CB 4.42Å; D65-K68 CarbonylContact O-C 3.53Å; D65-K68 PolarHBondContact O-N 2.74Å; D65-K68 WeakPolarHBondContact OD1-CB 3.43Å; D65-K68 WeakPolarHBondContact OD1-CG 3.27Å; D65-K68 PolarHBondContact OD1-N 3.38Å; D65-N69 CarbonylContact O-C 3.59Å; D65-N69 WeakPolarHBondContact O-CA 3.45Å; D65-N69 PolarHBondContact O-N 2.94Å; D65-T70 PolarHBondContact N-O 3.13Å; D65-T70 PolarHBondContact O-N 3.11Å; D65-F72 HydrophobicContact CB-CD2 4.4Å; D65-F72 HydrophobicContact CB-CE2 3.66Å
66	N	69.4	Low	74.7	Confident	96 Å²	96	56.4 Å²	56.4	51%	0.513	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-44.6	177.8	-70.5	-32	0	0	0	113.5	R64 K68 N69	R64-N66 WeakPolarHBondContact CD-OD1 3.01Å; N66-K68 PolarHBondContact O-N 3.46Å; N66-N69 PolarHBondContact O-N 3Å; N66-N69 VanDerWaalsContact O-N 3.13Å; N66-N69 PolarHBondContact O-OD1 3.2Å
67	P	70.6	Confident	74.3	Confident	118 Å²	118	59.6 Å²	59.6	77%	0.766	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-28.6	-178.9	20.1	-26.1	0	0	0	112.6	D65	D65-P67 VanDerWaalsContact OD1-CD 3.23Å; D65-P67 WeakPolarHBondContact OD1-CD 3.44Å; D65-P67 VanDerWaalsContact OD1-CG 3.24Å; D65-P67 WeakPolarHBondContact OD1-CG 3.39Å
68	K	65.8	Low	73.7	Confident	147 Å²	147	55.8 Å²	55.8	64%	0.639	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	4.2	175.3	-60.4	174.7	179.9	179.3	0	113.9	D65 N66 T70	D65-K68 HydrophobicContact CB-CB 4.42Å; D65-K68 CarbonylContact O-C 3.53Å; D65-K68 PolarHBondContact O-N 2.74Å; D65-K68 WeakPolarHBondContact OD1-CB 3.43Å; D65-K68 WeakPolarHBondContact OD1-CG 3.27Å; D65-K68 PolarHBondContact OD1-N 3.38Å; N66-K68 PolarHBondContact O-N 3.46Å; K68-T70 PolarHBondContact O-N 2.86Å; K68-T70 PolarHBondContact O-OG1 2.75Å
69	N	68.9	Low	73.3	Confident	81 Å²	81	59.7 Å²	59.7	43%	0.433	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	43	37.8	-172.8	-72.9	-56.8	0	0	0	113.6	D65 N66	D65-N69 CarbonylContact O-C 3.59Å; D65-N69 WeakPolarHBondContact O-CA 3.45Å; D65-N69 PolarHBondContact O-N 2.94Å; N66-N69 PolarHBondContact O-N 3Å; N66-N69 VanDerWaalsContact O-N 3.13Å; N66-N69 PolarHBondContact O-OD1 3.2Å
70	T	69	Low	72.8	Confident	17 Å²	17	64.7 Å²	64.7	10%	0.104	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	135	-173.4	-56.2	0	0	0	0	109.5	P13 D65 K68 F72	P13-T70 HydrophobicContact CB-CG2 3.75Å; D65-T70 PolarHBondContact N-O 3.13Å; D65-T70 PolarHBondContact O-N 3.11Å; K68-T70 PolarHBondContact O-N 2.86Å; K68-T70 PolarHBondContact O-OG1 2.75Å; T70-F72 HydrophobicContact CG2-CD2 4.26Å; T70-F72 HydrophobicContact CG2-CE1 4.2Å; T70-F72 HydrophobicContact CG2-CE2 3.61Å; T70-F72 HydrophobicContact CG2-CZ 3.59Å
71	L	73	Confident	72.4	Confident	9 Å²	9	71.2 Å²	71.2	5%	0.047	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	143.8	170.9	-78.1	164	0	0	0	109.5	V14 A23 C26 W28 I43 I62 R64	V14-L71 HydrophobicContact CG2-CB 3.58Å; V14-L71 WeakPolarHBondContact CG2-O 3.31Å; V14-L71 PolarHBondContact N-O 3.12Å; A23-L71 HydrophobicContact CB-CD1 4.24Å; C26-L71 HydrophobicContact CB-CD1 3.63Å; C26-L71 WeakPolarHBondContact SG-CD1 3.37Å; W28-L71 HydrophobicContact CZ2-CB 4.33Å; I43-L71 HydrophobicContact CD1-CD2 3.88Å; I43-L71 HydrophobicContact CG2-CD1 4.4Å; I43-L71 HydrophobicContact CG2-CD2 4.11Å; I62-L71 HydrophobicContact CG2-CD2 4.47Å; R64-L71 HydrophobicContact CB-CD2 3.75Å; R64-L71 HydrophobicContact CG-CD2 3.95Å; R64-L71 HydrophobicContact CG-CG 4.48Å
72	F	72.6	Confident	71.9	Confident	57 Å²	57	69.2 Å²	69.2	25%	0.25	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	128.6	179.6	-65.3	-89	0	0	0	108.2	P13 I62 S63 D65 T70	P13-F72 HydrophobicContact CB-CD1 4.23Å; P13-F72 HydrophobicContact CB-CE1 3.67Å; P13-F72 HydrophobicContact CB-CZ 4.24Å; I62-F72 CarbonylContact C-O 3.49Å; I62-F72 WeakPolarHBondContact CA-O 3.5Å; S63-F72 PolarHBondContact N-O 2.83Å; S63-F72 PolarHBondContact O-N 2.76Å; D65-F72 HydrophobicContact CB-CD2 4.4Å; D65-F72 HydrophobicContact CB-CE2 3.66Å; T70-F72 HydrophobicContact CG2-CD2 4.26Å; T70-F72 HydrophobicContact CG2-CE1 4.2Å; T70-F72 HydrophobicContact CG2-CE2 3.61Å; T70-F72 HydrophobicContact CG2-CZ 3.59Å
73	L	75	Confident	71.7	Confident	3 Å²	3	73.9 Å²	73.9	2%	0.016	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	104.1	167.5	-177	68.2	0	0	0	107.4	W28 F60 I62 M75 Y86	W28-L73 HydrophobicContact CD2-CD2 4.23Å; W28-L73 HydrophobicContact CE3-CD2 3.89Å; W28-L73 HydrophobicContact CH2-CB 3.69Å; W28-L73 HydrophobicContact CH2-CD2 4.41Å; W28-L73 HydrophobicContact CZ2-CB 3.81Å; W28-L73 HydrophobicContact CZ3-CB 4.14Å; W28-L73 HydrophobicContact CZ3-CD2 4Å; F60-L73 HydrophobicContact CD1-CD1 4.21Å; F60-L73 HydrophobicContact CD1-CD2 4.34Å; F60-L73 HydrophobicContact CD1-CG 4.38Å; I62-L73 HydrophobicContact CD1-CD1 4.14Å; I62-L73 HydrophobicContact CG1-CD1 3.42Å; I62-L73 VanDerWaalsContact CG1-CD1 3.42Å; L73-M75 HydrophobicContact CD2-SD 4.34Å; L73-M75 HydrophobicContact CG-CG 4.22Å; L73-Y86 HydrophobicContact CD2-CD1 3.92Å; L73-Y86 HydrophobicContact CD2-CE1 4.5Å; L73-Y86 HydrophobicContact CD2-CG 4.37Å
74	Q	75.9	Confident	71.8	Confident	70 Å²	70	72.3 Å²	72.3	33%	0.327	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	124.2	176.8	-177.6	169.2	29	0	0	109.4	N11 F60 T61	N11-Q74 PolarHBondContact ND2-NE2 3.34Å; N11-Q74 PolarHBondContact OD1-NE2 3Å; F60-Q74 CarbonylContact C-O 3.59Å; F60-Q74 WeakPolarHBondContact CA-O 2.97Å; T61-Q74 PolarHBondContact N-O 3.5Å; T61-Q74 PolarHBondContact O-N 3.01Å
75	M	77.1	Confident	72	Confident	34 Å²	34	76.5 Å²	76.5	17%	0.167	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	109.6	-177.7	-58	175.3	-94	0	0	107.6	F60 L73 L78 Y86	F60-M75 HydrophobicContact CD1-CB 4.44Å; F60-M75 HydrophobicContact CD1-CG 3.54Å; F60-M75 HydrophobicContact CD1-SD 4.1Å; F60-M75 HydrophobicContact CE1-CB 4.38Å; F60-M75 HydrophobicContact CE1-CG 3.54Å; F60-M75 HydrophobicContact CE1-SD 3.54Å; F60-M75 VanDerWaalsContact CE1-SD 3.54Å; F60-M75 HydrophobicContact CG-CG 4.28Å; F60-M75 HydrophobicContact CZ-CG 4.29Å; F60-M75 HydrophobicContact CZ-SD 4.27Å; L73-M75 HydrophobicContact CD2-SD 4.34Å; L73-M75 HydrophobicContact CG-CG 4.22Å; M75-L78 HydrophobicContact CB-CD1 3.88Å; M75-L78 HydrophobicContact CB-CD2 3.99Å; M75-L78 HydrophobicContact CB-CG 3.71Å; M75-L78 HydrophobicContact CG-CD2 4.41Å; M75-L78 HydrophobicContact SD-CD1 4.35Å; M75-L78 HydrophobicContact SD-CD2 3.79Å; M75-L78 HydrophobicContact SD-CG 4.42Å; M75-Y86 HydrophobicContact SD-CD2 4.49Å; M75-Y86 HydrophobicContact SD-CE2 4.13Å
76	T	72.4	Confident	72	Confident	105 Å²	105	74.5 Å²	74.5	64%	0.644	40%	0.398	S	S	*	.	S	Bend	trans	-94.8	-26.3	-171.6	-12.7	0	0	0	0	112.8	G59	G59-T76 PolarHBondContact O-N 3.07Å; G59-T76 PolarHBondContact O-OG1 3.24Å
77	S	69.9	Low	72.1	Confident	70 Å²	70	72 Å²	72	49%	0.49	38%	0.381	S	S	.	.	S	Bend	trans	-134.9	70.8	179.6	-163.1	0	0	0	0	110.3	R79	S77-R79 PolarHBondContact O-N 2.97Å
78	L	69.2	Low	72.3	Confident	63 Å²	63	67.4 Å²	67.4	33%	0.33	35%	0.352	S	S	.	.			trans	-71.5	118.5	174.7	-80	166.2	0	0	0	109.9	P9 F60 M75 D82	P9-L78 HydrophobicContact CB-CD1 3.55Å; F60-L78 HydrophobicContact CZ-CD2 4.21Å; M75-L78 HydrophobicContact CB-CD1 3.88Å; M75-L78 HydrophobicContact CB-CD2 3.99Å; M75-L78 HydrophobicContact CB-CG 3.71Å; M75-L78 HydrophobicContact CG-CD2 4.41Å; M75-L78 HydrophobicContact SD-CD1 4.35Å; M75-L78 HydrophobicContact SD-CD2 3.79Å; M75-L78 HydrophobicContact SD-CG 4.42Å; L78-D82 HydrophobicContact CD2-CB 3.77Å
79	R	72	Confident	72.7	Confident	166 Å²	166	62.7 Å²	62.7	63%	0.626	34%	0.34	S	S	*	.			trans	-90.3	161.4	167	-57.2	179.5	177.5	-177.4	0.6	109	S77 E81 D82	S77-R79 PolarHBondContact O-N 2.97Å; R79-E81 PolarHBondContact O-N 2.75Å; R79-E81 VanDerWaalsContact O-N 3.11Å; R79-D82 WeakPolarHBondContact CB-OD2 3.24Å; R79-D82 PolarHBondContact N-OD2 3.22Å; R79-D82 VanDerWaalsContact N-OD2 3.09Å; R79-D82 WeakPolarHBondContact O-CB 3.26Å; R79-D82 PolarHBondContact O-N 2.8Å
80	S	69.7	Low	72.6	Confident	115 Å²	115	64.9 Å²	64.9	80%	0.804	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-54.7	-32.9	174.7	-59.5	0	0	0	0	112.1	D82 T83	S80-D82 PolarHBondContact O-N 3.45Å; S80-T83 WeakPolarHBondContact O-CB 3.11Å; S80-T83 PolarHBondContact O-N 3.18Å; S80-T83 PolarHBondContact O-OG1 3.45Å
81	E	70.1	Confident	72	Confident	146 Å²	146	76.5 Å²	76.5	68%	0.682	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-67.1	-20.4	175.9	-64.8	166.1	83.1	0	0	114.2	R79 T83	R79-E81 PolarHBondContact O-N 2.75Å; R79-E81 VanDerWaalsContact O-N 3.11Å; E81-T83 VanDerWaalsContact C-N 3.33Å
82	D	69.1	Low	72	Confident	14 Å²	14	79.9 Å²	79.9	8%	0.075	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-91.3	2	178.3	-61	-57.6	0	0	0	112.5	R30 F60 L78 R79 S80 A84 Y86	R30-D82 IonicContact CZ-OD1 2.91Å; R30-D82 IonicContact NH1-OD1 2.96Å; R30-D82 PolarHBondContact NH1-OD1 2.78Å; F60-D82 HydrophobicContact CZ-CB 4.15Å; L78-D82 HydrophobicContact CD2-CB 3.77Å; R79-D82 WeakPolarHBondContact CB-OD2 3.24Å; R79-D82 PolarHBondContact N-OD2 3.22Å; R79-D82 VanDerWaalsContact N-OD2 3.09Å; R79-D82 WeakPolarHBondContact O-CB 3.26Å; R79-D82 PolarHBondContact O-N 2.8Å; S80-D82 PolarHBondContact O-N 3.45Å; D82-A84 PolarHBondContact O-N 2.72Å; D82-Y86 WeakPolarHBondContact O-CE2 3.44Å; D82-Y86 PolarHBondContact O-OH 3.49Å
83	T	73.7	Confident	71.9	Confident	105 Å²	105	81.1 Å²	81.1	64%	0.644	41%	0.409	S	S	*	.			trans	-74.8	96.9	176.4	-50.6	0	0	0	0	109.1	S80 E81	S80-T83 WeakPolarHBondContact O-CB 3.11Å; S80-T83 PolarHBondContact O-N 3.18Å; S80-T83 PolarHBondContact O-OG1 3.45Å; E81-T83 VanDerWaalsContact C-N 3.33Å
84	A	76.8	Confident	71.8	Confident	19 Å²	19	85.4 Å²	85.4	16%	0.157	43%	0.431	C	S	.	.	S	Bend	trans	-146.7	163.1	-176.5	0	0	0	0	0	109.5	R30 Q31 A32 D82 Y86	R30-A84 HydrophobicContact CB-CB 3.94Å; R30-A84 HydrophobicContact CG-CB 4.28Å; Q31-A84 WeakPolarHBondContact O-CA 3.45Å; Q31-A84 WeakPolarHBondContact O-CB 3.43Å; A32-A84 HydrophobicContact CB-CB 4.22Å; D82-A84 PolarHBondContact O-N 2.72Å; A84-Y86 HydrophobicContact CB-CE2 4.11Å; A84-Y86 WeakPolarHBondContact O-CD2 3.42Å; A84-Y86 VanDerWaalsContact O-CE2 3.26Å; A84-Y86 WeakPolarHBondContact O-CE2 3.39Å
85	M	77.5	Confident	71.5	Confident	122 Å²	122	86.4 Å²	86.4	60%	0.601	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77	129.2	166.1	-72.8	176.4	173	0	0	108.7	R30 Q31 Y87	R30-M85 CarbonylContact C-O 3.58Å; R30-M85 WeakPolarHBondContact CA-O 3.29Å; Q31-M85 PolarHBondContact N-O 2.74Å; Q31-M85 PolarHBondContact O-N 3.03Å; M85-Y87 WeakPolarHBondContact O-CE1 3.35Å
86	Y	74.3	Confident	71.2	Confident	8 Å²	8	89.6 Å²	89.6	3%	0.031	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	136.7	179.6	-69.2	-98.5	0	0	0	109.9	L6 V29 R30 V40 F60 L73 M75 D82 A84	L6-Y86 VanDerWaalsContact CD1-CB 3.48Å; L6-Y86 WeakPolarHBondContact CD1-O 3.45Å; V29-Y86 WeakPolarHBondContact O-CA 2.87Å; R30-Y86 HydrophobicContact CB-CD1 3.62Å; R30-Y86 HydrophobicContact CB-CE1 3.56Å; R30-Y86 HydrophobicContact CB-CG 4.14Å; R30-Y86 HydrophobicContact CG-CE1 4.27Å; V40-Y86 HydrophobicContact CG1-CE1 4.38Å; V40-Y86 HydrophobicContact CG2-CD1 4.26Å; V40-Y86 HydrophobicContact CG2-CE1 4.02Å; F60-Y86 AromaticContact CE1-CE1 3.65Å; F60-Y86 HydrophobicContact CE1-CE1 3.65Å; F60-Y86 AromaticContact CE1-CZ 3.8Å; F60-Y86 HydrophobicContact CZ-CE1 4.35Å; F60-Y86 WeakPolarHBondContact CZ-OH 3.47Å; L73-Y86 HydrophobicContact CD2-CD1 3.92Å; L73-Y86 HydrophobicContact CD2-CE1 4.5Å; L73-Y86 HydrophobicContact CD2-CG 4.37Å; M75-Y86 HydrophobicContact SD-CD2 4.49Å; M75-Y86 HydrophobicContact SD-CE2 4.13Å; D82-Y86 WeakPolarHBondContact O-CE2 3.44Å; D82-Y86 PolarHBondContact O-OH 3.49Å; A84-Y86 HydrophobicContact CB-CE2 4.11Å; A84-Y86 WeakPolarHBondContact O-CD2 3.42Å; A84-Y86 VanDerWaalsContact O-CE2 3.26Å; A84-Y86 WeakPolarHBondContact O-CE2 3.39Å
87	Y	72.6	Confident	71.1	Confident	43 Å²	43	88.6 Å²	88.6	17%	0.169	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	145.4	-178.6	37.5	-74.7	0	0	0	109.9	W28 V29 R30 Q31 L37 M85	W28-Y87 WeakPolarHBondContact CA-O 3.46Å; V29-Y87 VanDerWaalsContact C-CZ 3.45Å; V29-Y87 HydrophobicContact CB-CD2 3.81Å; V29-Y87 HydrophobicContact CB-CE2 3.21Å; V29-Y87 HydrophobicContact CG1-CE2 4.34Å; V29-Y87 HydrophobicContact CG2-CD2 3.17Å; V29-Y87 HydrophobicContact CG2-CE2 3.06Å; V29-Y87 HydrophobicContact CG2-CG 4.14Å; V29-Y87 WeakPolarHBondContact CG2-O 3.44Å; V29-Y87 PolarHBondContact N-O 3.13Å; V29-Y87 WeakPolarHBondContact O-CD1 3.33Å; V29-Y87 VanDerWaalsContact O-CE1 3.29Å; V29-Y87 WeakPolarHBondContact O-CE1 3.09Å; V29-Y87 PolarHBondContact O-N 3.39Å; R30-Y87 PolarHBondContact N-OH 2.88Å; R30-Y87 PolarHBondContact O-OH 3.27Å; R30-Y87 VanDerWaalsContact O-OH 3.07Å; Q31-Y87 HydrophobicContact CB-CE1 3.63Å; L37-Y87 WeakPolarHBondContact CA-OH 3.24Å; L37-Y87 VanDerWaalsContact CB-OH 3.31Å; L37-Y87 WeakPolarHBondContact CB-OH 3.45Å; L37-Y87 HydrophobicContact CD2-CE1 4.08Å; L37-Y87 HydrophobicContact CD2-CE2 3.83Å; L37-Y87 WeakPolarHBondContact CD2-OH 3.32Å; M85-Y87 WeakPolarHBondContact O-CE1 3.35Å
88	C	74.3	Confident	71.2	Confident	22 Å²	22	89.9 Å²	89.9	15%	0.149	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	118.9	162.3	163.9	0	0	0	0	108.9	C26 T27	C26-C88 WeakPolarHBondContact CA-SG 3.12Å; C26-C88 HydrophobicContact CB-CB 4.16Å; C26-C88 WeakPolarHBondContact CB-SG 3.23Å; C26-C88 WeakPolarHBondContact SG-CB 3.14Å; C26-C88 CovalentContact SG-SG 2.04Å; C26-C88 PolarHBondContact SG-SG 3.44Å; T27-C88 CarbonylContact O-C 3.45Å; T27-C88 WeakPolarHBondContact O-CA 3.49Å
89	A	72.8	Confident	71.3	Confident	47 Å²	47	92 Å²	92	39%	0.388	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	112.9	161.6	0	0	0	0	0	109.2	T27 V29	T27-A89 WeakPolarHBondContact CB-O 3.46Å; T27-A89 PolarHBondContact N-O 2.85Å; T27-A89 PolarHBondContact O-N 2.77Å; V29-A89 HydrophobicContact CG2-CB 4.1Å
90	R	68.3	Low	71.3	Confident	128 Å²	128	85.8 Å²	85.8	48%	0.483	43%	0.431	S	S	.	.			trans	-84.3	145.4	167.5	-169.5	170.9	66.7	-175.3	-2.2	108.6	S21	S21-R90 PolarHBondContact OG-NH1 2.84Å
91	R	56	Low	71.4	Confident	261 Å²	261	83.2 Å²	83.2	99%	0.985	40%	0.397	S	S	*	.			trans	-74.4	0	167.1	-76.3	-140.7	-177.3	153.4	0.8	112.4	E25	E25-R91 HydrophobicContact CG-CB 4.1Å; E25-R91 HydrophobicContact CG-CG 4.38Å; E25-R91 WeakPolarHBondContact OE2-CD 3.17Å; E25-R91 WeakPolarHBondContact OE2-CG 3.24Å; E25-R91 IonicContact OE2-NE 3.38Å

Retrieved 91 of 91 residues in 24 ms (Link to these results)

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