A0A075B5L6_MOUSE Loading...

Immunoglobulin kappa variable 4-81

AlphaFold DB , UniProt , Accession A0A075B5L6, Species MOUSE (Mus musculus, Mouse), Gene Igkv4-81, Length 96 aa.

						>A0A075B5L6_MOUSE|A0A075B5L6|Igkv4-81
ENVLTQSPAIMAASPGEKVTMTCSASSSVSSSNLHWYQQKSGTSTKFWIYRTSNLASEVPAPFSGSGSGTSYSLTISSVEAEDAATYYCQQWSGYP
					

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(Predicted Aligned Error values between residue pairs)

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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	71.3	Confident	92.2	Very high	185 Å²	185	86.2 Å²	86.2	86%	0.864	49%	0.493	S	S	*	.				0	134	0	-166.1	176.4	179.6	0	0	109.3
2	N	83.4	Confident	92.5	Very high	21 Å²	21	87.1 Å²	87.1	11%	0.112	52%	0.519	C	S	.	.			trans	-106.3	111.9	177.1	-164.3	-5.2	0	0	0	109	S26 S27 V29	N2-S26 WeakPolarHBondContact CA-OG 3.44Å; N2-S26 PolarHBondContact OD1-N 2.88Å; N2-S26 PolarHBondContact OD1-OG 3.04Å; N2-S27 PolarHBondContact ND2-O 2.84Å; N2-S27 PolarHBondContact ND2-OG 3.33Å; N2-S27 VanDerWaalsContact ND2-OG 3.07Å; N2-S27 PolarHBondContact OD1-N 2.98Å; N2-S27 PolarHBondContact OD1-OG 2.75Å; N2-V29 WeakPolarHBondContact ND2-CG2 3.39Å
3	V	91.6	Very high	92.7	Very high	81 Å²	81	83.4 Å²	83.4	49%	0.491	50%	0.504	S	S	.	.			trans	-86.7	136.7	-176.3	-178.4	0	0	0	0	109.8	A25 S26	V3-A25 WeakPolarHBondContact O-CA 3.36Å; V3-S26 PolarHBondContact N-OG 3.14Å; V3-S26 PolarHBondContact O-N 2.94Å
4	L	94.7	Very high	92.9	Very high	45 Å²	45	82.1 Å²	82.1	24%	0.236	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	137.4	173.7	-59.6	-176.8	0	0	0	110.7	S24 A25 Q91	L4-S24 CarbonylContact C-O 3.52Å; L4-S24 WeakPolarHBondContact CA-O 3.36Å; L4-A25 HydrophobicContact CD2-CB 3.47Å; L4-A25 VanDerWaalsContact CD2-CB 3.47Å; L4-Q91 HydrophobicContact CD1-CB 4.09Å; L4-Q91 HydrophobicContact CD1-CG 3.94Å; L4-Q91 HydrophobicContact CD2-CB 4.44Å; L4-Q91 HydrophobicContact CD2-CG 4.07Å; L4-Q91 HydrophobicContact CG-CG 4.1Å
5	T	97.1	Very high	93.1	Very high	87 Å²	87	83.5 Å²	83.5	53%	0.534	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	145.7	171.7	59.7	0	0	0	0	110.2	C23 S24	T5-C23 CarbonylContact O-C 3.53Å; T5-C23 VanDerWaalsContact O-CA 3.31Å; T5-C23 WeakPolarHBondContact O-CA 3.32Å; T5-S24 PolarHBondContact N-O 2.93Å; T5-S24 PolarHBondContact O-N 3.48Å
6	Q	97.8	Very high	93.3	Very high	67 Å²	67	81.1 Å²	81.1	31%	0.313	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	145.4	-179.7	-77	178.3	-120.9	0	0	112	T22 C23 Y87 Y88 C89	Q6-T22 VanDerWaalsContact CA-O 3.23Å; Q6-T22 WeakPolarHBondContact CA-O 3.35Å; Q6-C23 HydrophobicContact CG-CB 4.22Å; Q6-Y87 PolarHBondContact NE2-O 2.97Å; Q6-Y88 VanDerWaalsContact OE1-CA 3.26Å; Q6-C89 VanDerWaalsContact CG-SG 3.58Å
7	S	97.5	Very high	93.5	Very high	69 Å²	69	81.7 Å²	81.7	48%	0.483	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	140.9	178	-174.6	0	0	0	0	111.9	M21 T22	S7-M21 WeakPolarHBondContact O-CA 3.38Å; S7-T22 PolarHBondContact N-O 2.97Å; S7-T22 VanDerWaalsContact N-O 3.08Å; S7-T22 PolarHBondContact O-N 3.11Å; S7-T22 PolarHBondContact O-OG1 3.34Å
8	P	97.1	Very high	93.7	Very high	55 Å²	55	85.3 Å²	85.3	36%	0.357	51%	0.511	S	S	.	.			cis	-72.7	162.4	-10	32.9	-35.8	0	0	0	111.7	I10 M11	P8-I10 VanDerWaalsContact C-N 3.34Å; P8-M11 HydrophobicContact CG-CB 4.16Å; P8-M11 HydrophobicContact CG-CE 3.32Å
9	A	95.1	Very high	93.9	Very high	101 Å²	101	81.9 Å²	81.9	84%	0.835	49%	0.491	S	S	*	.	S	Bend	trans	-68.8	-34.1	177.3	0	0	0	0	0	112.7
10	I	94.8	Very high	94.1	Very high	154 Å²	154	80.5 Å²	80.5	79%	0.79	48%	0.483	S	S	*	.	S	Bend	trans	-136.6	139.2	176.7	-60.5	175.6	0	0	0	107.4	P8	P8-I10 VanDerWaalsContact C-N 3.34Å
11	M	94.2	Very high	94.2	Very high	83 Å²	83	78.2 Å²	78.2	41%	0.409	47%	0.467	S	S	.	.			trans	-133.2	138.2	173	-169.7	174.5	-64.9	0	0	109	P8 V19 T20	P8-M11 HydrophobicContact CG-CB 4.16Å; P8-M11 HydrophobicContact CG-CE 3.32Å; M11-V19 HydrophobicContact CG-CG1 4.3Å; M11-V19 HydrophobicContact SD-CB 3.36Å; M11-V19 WeakPolarHBondContact SD-CB 3.23Å; M11-V19 HydrophobicContact SD-CG1 3.32Å; M11-V19 WeakPolarHBondContact SD-CG1 3.28Å; M11-V19 HydrophobicContact SD-CG2 4.5Å; M11-T20 WeakPolarHBondContact CE-O 3.4Å
12	A	95	Very high	95.5	Very high	97 Å²	97	71.9 Å²	71.9	80%	0.802	44%	0.441	S	S	*	.			trans	-111.9	139.8	167.1	0	0	0	0	0	107.8
13	A	95	Very high	96.2	Very high	39 Å²	39	70.9 Å²	70.9	32%	0.322	44%	0.436	S	S	.	.			trans	-145.4	146.7	178.3	0	0	0	0	0	109.5	E17 V19 V79	A13-E17 VanDerWaalsContact CA-OE2 3.23Å; A13-E17 WeakPolarHBondContact CA-OE2 3.24Å; A13-E17 HydrophobicContact CB-CB 4.27Å; A13-V19 HydrophobicContact CB-CG1 3.41Å; A13-V19 VanDerWaalsContact CB-CG1 3.41Å; A13-V79 HydrophobicContact CB-CB 4.44Å; A13-V79 HydrophobicContact CB-CG1 4.43Å; A13-V79 HydrophobicContact CB-CG2 4.15Å
14	S	95.9	Very high	96.4	Very high	66 Å²	66	69.4 Å²	69.4	46%	0.462	43%	0.429	S	S	.	.			trans	-82.1	153.3	170.7	-53.2	0	0	0	0	110	G16 E17	S14-G16 PolarHBondContact O-N 2.75Å; S14-E17 PolarHBondContact N-OE2 2.85Å; S14-E17 VanDerWaalsContact O-CB 3.32Å; S14-E17 WeakPolarHBondContact O-CB 3.4Å; S14-E17 PolarHBondContact O-N 3.33Å
15	P	95.7	Very high	96.5	Very high	103 Å²	103	67.7 Å²	67.7	67%	0.669	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	134.1	173.5	-26.6	35.2	0	0	0	111.9	E17 V79	P15-E17 VanDerWaalsContact C-N 3.34Å; P15-V79 CarbonylContact C-O 3.54Å; P15-V79 VanDerWaalsContact CA-O 3.24Å; P15-V79 WeakPolarHBondContact CA-O 3.4Å
16	G	96.2	Very high	96.4	Very high	44 Å²	44	67.3 Å²	67.3	45%	0.454	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	-11.4	-176.1	0	0	0	0	0	115.6	S14 S78 V79	S14-G16 PolarHBondContact O-N 2.75Å; G16-S78 WeakPolarHBondContact CA-OG 3.3Å; G16-V79 PolarHBondContact N-O 3.39Å
17	E	97.3	Very high	96.2	Very high	92 Å²	92	66.9 Å²	66.9	43%	0.43	43%	0.427	S	S	.	.			trans	-73.8	148.6	176.4	-70.4	-177.1	159.4	0	0	111.7	A13 S14 P15 V79	A13-E17 VanDerWaalsContact CA-OE2 3.23Å; A13-E17 WeakPolarHBondContact CA-OE2 3.24Å; A13-E17 HydrophobicContact CB-CB 4.27Å; S14-E17 PolarHBondContact N-OE2 2.85Å; S14-E17 VanDerWaalsContact O-CB 3.32Å; S14-E17 WeakPolarHBondContact O-CB 3.4Å; S14-E17 PolarHBondContact O-N 3.33Å; P15-E17 VanDerWaalsContact C-N 3.34Å; E17-V79 WeakPolarHBondContact O-CG2 3.32Å; E17-V79 PolarHBondContact O-N 2.81Å
18	K	97.3	Very high	96	Very high	147 Å²	147	67.9 Å²	67.9	64%	0.639	43%	0.434	S	S	*	.			trans	-86	130.2	170.7	176.9	-177.8	175.8	-177.7	0	109.6	T75 I76	K18-T75 HydrophobicContact CD-CG2 4.44Å; K18-T75 HydrophobicContact CG-CG2 4.2Å; K18-I76 WeakPolarHBondContact CA-O 3.48Å
19	V	96.9	Very high	95.9	Very high	20 Å²	20	65.3 Å²	65.3	12%	0.121	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	145.4	173.5	-64.7	0	0	0	0	111.4	M11 A13 T75 I76 V79	M11-V19 HydrophobicContact CG-CG1 4.3Å; M11-V19 HydrophobicContact SD-CB 3.36Å; M11-V19 WeakPolarHBondContact SD-CB 3.23Å; M11-V19 HydrophobicContact SD-CG1 3.32Å; M11-V19 WeakPolarHBondContact SD-CG1 3.28Å; M11-V19 HydrophobicContact SD-CG2 4.5Å; A13-V19 HydrophobicContact CB-CG1 3.41Å; A13-V19 VanDerWaalsContact CB-CG1 3.41Å; V19-T75 CarbonylContact O-C 2.96Å; V19-T75 VanDerWaalsContact O-CA 3.29Å; V19-T75 WeakPolarHBondContact O-CA 3.23Å; V19-I76 HydrophobicContact CG2-CB 3.58Å; V19-I76 HydrophobicContact CG2-CD1 3.78Å; V19-I76 HydrophobicContact CG2-CG1 3.68Å; V19-I76 PolarHBondContact N-O 2.9Å; V19-I76 PolarHBondContact O-N 3.04Å; V19-V79 HydrophobicContact CB-CG2 4.18Å; V19-V79 HydrophobicContact CG1-CG2 3.73Å; V19-V79 HydrophobicContact CG2-CG2 3.39Å
20	T	97.4	Very high	95.9	Very high	54 Å²	54	63.5 Å²	63.5	33%	0.331	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	122.8	174.5	-62.2	0	0	0	0	109.4	M11 L74 T75	M11-T20 WeakPolarHBondContact CE-O 3.4Å; T20-L74 WeakPolarHBondContact CA-O 3.26Å; T20-T75 PolarHBondContact OG1-OG1 3.37Å
21	M	97.2	Very high	95.8	Very high	33 Å²	33	58.2 Å²	58.2	16%	0.163	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	150.7	168.6	62.3	179.5	57.6	0	0	110.2	S7 W36 S73 L74 Y87	S7-M21 WeakPolarHBondContact O-CA 3.38Å; M21-W36 HydrophobicContact CG-CH2 4Å; M21-W36 HydrophobicContact CG-CZ3 3.96Å; M21-W36 HydrophobicContact SD-CE3 4.4Å; M21-W36 HydrophobicContact SD-CH2 4.32Å; M21-W36 HydrophobicContact SD-CZ3 3.69Å; M21-S73 CarbonylContact O-C 3.54Å; M21-S73 WeakPolarHBondContact O-CA 3.45Å; M21-S73 WeakPolarHBondContact O-CB 3.27Å; M21-L74 HydrophobicContact CG-CB 3.75Å; M21-L74 HydrophobicContact CG-CD2 4.34Å; M21-L74 HydrophobicContact CG-CG 4.43Å; M21-L74 PolarHBondContact N-O 2.97Å; M21-L74 PolarHBondContact O-N 2.03Å; M21-L74 HydrophobicContact SD-CB 4.34Å; M21-L74 HydrophobicContact SD-CD2 3.91Å; M21-Y87 HydrophobicContact CE-CD2 3.87Å; M21-Y87 HydrophobicContact CE-CG 4.1Å; M21-Y87 WeakPolarHBondContact SD-CB 3.48Å; M21-Y87 HydrophobicContact SD-CG 4.18Å
22	T	98.1	Very high	95.8	Very high	51 Å²	51	57.1 Å²	57.1	31%	0.313	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	153.5	-178.5	63	0	0	0	0	111.2	Q6 S7 Y72	Q6-T22 VanDerWaalsContact CA-O 3.23Å; Q6-T22 WeakPolarHBondContact CA-O 3.35Å; S7-T22 PolarHBondContact N-O 2.97Å; S7-T22 VanDerWaalsContact N-O 3.08Å; S7-T22 PolarHBondContact O-N 3.11Å; S7-T22 PolarHBondContact O-OG1 3.34Å; T22-Y72 CarbonylContact C-O 3.55Å; T22-Y72 VanDerWaalsContact CA-O 3.27Å; T22-Y72 WeakPolarHBondContact CA-O 3.32Å
23	C	97.5	Very high	95.8	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	121.4	172.2	175	0	0	0	0	108.4	T5 Q6 W36 Y72 C89	T5-C23 CarbonylContact O-C 3.53Å; T5-C23 VanDerWaalsContact O-CA 3.31Å; T5-C23 WeakPolarHBondContact O-CA 3.32Å; Q6-C23 HydrophobicContact CG-CB 4.22Å; C23-W36 HydrophobicContact CB-CH2 3.65Å; C23-W36 HydrophobicContact CB-CZ2 3.76Å; C23-Y72 PolarHBondContact N-O 2.82Å; C23-Y72 PolarHBondContact O-N 3.38Å; C23-C89 HydrophobicContact CB-CB 3.52Å; C23-C89 WeakPolarHBondContact CB-SG 3.23Å; C23-C89 WeakPolarHBondContact SG-CB 3.17Å; C23-C89 CovalentContact SG-SG 2.03Å; C23-C89 PolarHBondContact SG-SG 2.93Å
24	S	97.3	Very high	95.8	Very high	50 Å²	50	53 Å²	53	35%	0.35	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.4	-179.9	-58.2	0	0	0	0	109.9	L4 T5 T70	L4-S24 CarbonylContact C-O 3.52Å; L4-S24 WeakPolarHBondContact CA-O 3.36Å; T5-S24 PolarHBondContact N-O 2.93Å; T5-S24 PolarHBondContact O-N 3.48Å; S24-T70 CarbonylContact C-O 3.55Å; S24-T70 VanDerWaalsContact CA-O 3.3Å; S24-T70 WeakPolarHBondContact CA-O 3.31Å
25	A	95.5	Very high	95.8	Very high	10 Å²	10	50.3 Å²	50.3	8%	0.083	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	140.4	176.6	0	0	0	0	0	111.1	V3 L4 S27 V29 T70	V3-A25 WeakPolarHBondContact O-CA 3.36Å; L4-A25 HydrophobicContact CD2-CB 3.47Å; L4-A25 VanDerWaalsContact CD2-CB 3.47Å; A25-S27 WeakPolarHBondContact CB-O 3.43Å; A25-S27 PolarHBondContact O-N 2.84Å; A25-V29 HydrophobicContact CB-CG2 3.79Å; A25-T70 PolarHBondContact N-O 2.96Å; A25-T70 WeakPolarHBondContact O-CB 3.39Å
26	S	94.9	Very high	95.9	Very high	78 Å²	78	45.4 Å²	45.4	55%	0.545	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	-24	177.8	65.2	0	0	0	0	113.7	N2 V3	N2-S26 WeakPolarHBondContact CA-OG 3.44Å; N2-S26 PolarHBondContact OD1-N 2.88Å; N2-S26 PolarHBondContact OD1-OG 3.04Å; V3-S26 PolarHBondContact N-OG 3.14Å; V3-S26 PolarHBondContact O-N 2.94Å
27	S	93.9	Very high	95.8	Very high	59 Å²	59	45 Å²	45	41%	0.413	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	163.3	173.1	65.4	0	0	0	0	110.9	N2 A25 V29	N2-S27 PolarHBondContact ND2-O 2.84Å; N2-S27 PolarHBondContact ND2-OG 3.33Å; N2-S27 VanDerWaalsContact ND2-OG 3.07Å; N2-S27 PolarHBondContact OD1-N 2.98Å; N2-S27 PolarHBondContact OD1-OG 2.75Å; A25-S27 WeakPolarHBondContact CB-O 3.43Å; A25-S27 PolarHBondContact O-N 2.84Å; S27-V29 PolarHBondContact O-N 3.01Å
28	S	94.4	Very high	95.7	Very high	90 Å²	90	40.8 Å²	40.8	63%	0.629	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-58.2	120.6	-173.9	-175.8	0	0	0	0	112.1	G69	S28-G69 WeakPolarHBondContact OG-CA 3.33Å
29	V	94.2	Very high	95.6	Very high	1 Å²	1	37 Å²	37	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	141.6	170.9	179.4	0	0	0	0	108.2	N2 A25 S27 N33 L34 G69 Y72 Q91	N2-V29 WeakPolarHBondContact ND2-CG2 3.39Å; A25-V29 HydrophobicContact CB-CG2 3.79Å; S27-V29 PolarHBondContact O-N 3.01Å; V29-N33 HydrophobicContact CG1-CB 4.01Å; V29-L34 HydrophobicContact CG1-CB 4.32Å; V29-G69 PolarHBondContact N-O 2.9Å; V29-Y72 HydrophobicContact CB-CE2 4.22Å; V29-Y72 PolarHBondContact O-OH 2.83Å; V29-Q91 HydrophobicContact CB-CB 4.47Å; V29-Q91 HydrophobicContact CG1-CB 3.72Å; V29-Q91 HydrophobicContact CG2-CB 3.83Å; V29-Q91 HydrophobicContact CG2-CG 4.08Å
30	S	94.3	Very high	95.4	Very high	62 Å²	62	39.5 Å²	39.5	43%	0.434	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-68.3	135.8	168.8	172.7	0	0	0	0	109.5	S32 N33	S30-S32 PolarHBondContact O-N 2.91Å; S30-S32 PolarHBondContact OG-N 2.82Å; S30-N33 WeakPolarHBondContact O-CB 3.49Å; S30-N33 PolarHBondContact O-N 2.73Å
31	S	93.6	Very high	95	Very high	43 Å²	43	43 Å²	43	30%	0.301	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-54.7	-26.4	177.2	-59.5	0	0	0	0	112.7	N33 R51 T52 G67	S31-N33 PolarHBondContact O-N 2.8Å; S31-R51 CarbonylContact O-C 3.6Å; S31-R51 WeakPolarHBondContact O-CA 3.45Å; S31-T52 VanDerWaalsContact CA-OG1 3.24Å; S31-T52 WeakPolarHBondContact CA-OG1 3.19Å; S31-T52 WeakPolarHBondContact CB-OG1 3.36Å; S31-T52 PolarHBondContact O-N 2.9Å; S31-T52 PolarHBondContact O-OG1 2.9Å; S31-G67 PolarHBondContact OG-O 3.32Å
32	S	94.6	Very high	94.6	Very high	60 Å²	60	45.6 Å²	45.6	42%	0.42	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-68.6	-17	175.1	-62.2	0	0	0	0	114.7	S30 R51	S30-S32 PolarHBondContact O-N 2.91Å; S30-S32 PolarHBondContact OG-N 2.82Å; S32-R51 WeakPolarHBondContact O-CG 3.28Å
33	N	94.2	Very high	94.1	Very high	50 Å²	50	46.8 Å²	46.8	27%	0.267	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-107.6	-3.3	-174.3	-68.6	-24.6	0	0	0	113.1	V29 S30 S31 H35 Q91 W92	V29-N33 HydrophobicContact CG1-CB 4.01Å; S30-N33 WeakPolarHBondContact O-CB 3.49Å; S30-N33 PolarHBondContact O-N 2.73Å; S31-N33 PolarHBondContact O-N 2.8Å; N33-H35 PolarHBondContact O-CD2 3.26Å; N33-H35 VanDerWaalsContact O-CD2 3.3Å; N33-Q91 CarbonylContact O-C 3.48Å; N33-Q91 VanDerWaalsContact O-CA 3.23Å; N33-Q91 WeakPolarHBondContact O-CA 3.49Å; N33-W92 HydrophobicContact CB-CB 4.36Å; N33-W92 PolarHBondContact O-N 2.96Å
34	L	95.8	Very high	93.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	128.9	177.5	-171.8	-86	0	0	0	110.3	V29 R51 T52 Y72 C89 Q90	V29-L34 HydrophobicContact CG1-CB 4.32Å; L34-R51 PolarHBondContact O-N 3.08Å; L34-T52 PolarHBondContact O-N 2.8Å; L34-Y72 HydrophobicContact CB-CD1 4.09Å; L34-Y72 HydrophobicContact CB-CE1 3.84Å; L34-Y72 HydrophobicContact CB-CE2 4.48Å; L34-Y72 HydrophobicContact CD1-CD1 3.63Å; L34-Y72 HydrophobicContact CD1-CD2 4.48Å; L34-Y72 HydrophobicContact CD1-CE1 4.27Å; L34-Y72 HydrophobicContact CD1-CG 3.75Å; L34-Y72 HydrophobicContact CG-CD1 3.66Å; L34-Y72 HydrophobicContact CG-CD2 3.91Å; L34-Y72 HydrophobicContact CG-CE1 3.9Å; L34-Y72 HydrophobicContact CG-CE2 4.16Å; L34-Y72 HydrophobicContact CG-CG 3.66Å; L34-C89 HydrophobicContact CD2-CB 3.99Å; L34-Q90 WeakPolarHBondContact CA-O 3.4Å; L34-Q90 VanDerWaalsContact CD2-O 3.23Å; L34-Q90 WeakPolarHBondContact CD2-O 3.29Å
35	H	95.8	Very high	93.4	Very high	9 Å²	9	52 Å²	52	4%	0.042	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	149.9	-177.4	-56	-78	0	0	0	110.7	N33 Y37 F47 I49 Y50 C89 Q90 W92	N33-H35 PolarHBondContact O-CD2 3.26Å; N33-H35 VanDerWaalsContact O-CD2 3.3Å; H35-Y37 HydrophobicContact CB-CD2 4.49Å; H35-Y37 HydrophobicContact CB-CE2 3.71Å; H35-F47 HydrophobicContact CB-CE2 3.77Å; H35-F47 HydrophobicContact CB-CZ 4.49Å; H35-F47 AromaticContact CE1-CZ 3.95Å; H35-F47 AromaticContact CG-CE2 3.72Å; H35-F47 AromaticContact ND1-CE2 3.46Å; H35-F47 WeakPolarHBondContact ND1-CE2 3.12Å; H35-F47 AromaticContact ND1-CZ 3.32Å; H35-F47 VanDerWaalsContact ND1-CZ 3.32Å; H35-F47 WeakPolarHBondContact ND1-CZ 3.45Å; H35-I49 CarbonylContact C-O 3.13Å; H35-I49 VanDerWaalsContact CA-O 3.31Å; H35-I49 WeakPolarHBondContact CA-O 3.32Å; H35-Y50 WeakPolarHBondContact ND1-CA 3.39Å; H35-Y50 WeakPolarHBondContact ND1-CB 3.25Å; H35-C89 CarbonylContact O-C 3.52Å; H35-C89 VanDerWaalsContact O-CA 3.27Å; H35-C89 WeakPolarHBondContact O-CA 3.23Å; H35-Q90 PolarHBondContact N-O 3.49Å; H35-Q90 PolarHBondContact O-N 3.41Å; H35-W92 AromaticContact CD2-CD2 3.86Å; H35-W92 AromaticContact CD2-CE2 3.89Å; H35-W92 AromaticContact CD2-CG 3.98Å; H35-W92 AromaticContact CD2-NE1 3.96Å; H35-W92 AromaticContact NE2-CD2 3.72Å; H35-W92 AromaticContact NE2-CE3 3.84Å
36	W	96.7	Very high	93.2	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	139.4	170.5	-68	94.2	0	0	0	110.3	M21 C23 W48 I49 L74 Y88 C89	M21-W36 HydrophobicContact CG-CH2 4Å; M21-W36 HydrophobicContact CG-CZ3 3.96Å; M21-W36 HydrophobicContact SD-CE3 4.4Å; M21-W36 HydrophobicContact SD-CH2 4.32Å; M21-W36 HydrophobicContact SD-CZ3 3.69Å; C23-W36 HydrophobicContact CB-CH2 3.65Å; C23-W36 HydrophobicContact CB-CZ2 3.76Å; W36-W48 WeakPolarHBondContact O-CA 3.3Å; W36-W48 WeakPolarHBondContact O-CB 3.44Å; W36-W48 PolarHBondContact O-N 2.89Å; W36-I49 HydrophobicContact CB-CB 4Å; W36-I49 HydrophobicContact CB-CG1 4.36Å; W36-I49 HydrophobicContact CG-CB 4.39Å; W36-I49 PolarHBondContact N-O 2.81Å; W36-I49 PolarHBondContact O-N 2.92Å; W36-I49 VanDerWaalsContact O-N 3.1Å; W36-L74 HydrophobicContact CD2-CB 3.69Å; W36-L74 HydrophobicContact CD2-CD2 4.2Å; W36-L74 HydrophobicContact CD2-CG 4.38Å; W36-L74 HydrophobicContact CE3-CB 3.84Å; W36-L74 HydrophobicContact CE3-CD2 3.89Å; W36-L74 HydrophobicContact CE3-CG 4.45Å; W36-L74 HydrophobicContact CG-CB 4.31Å; W36-L74 HydrophobicContact CG-CD1 4.36Å; W36-L74 HydrophobicContact CH2-CB 3.87Å; W36-L74 HydrophobicContact CZ2-CB 3.74Å; W36-L74 HydrophobicContact CZ3-CB 3.92Å; W36-L74 HydrophobicContact CZ3-CD2 4.38Å; W36-Y88 CarbonylContact C-O 3.58Å; W36-Y88 WeakPolarHBondContact CA-O 3.38Å; W36-C89 HydrophobicContact CD2-CB 4.18Å; W36-C89 HydrophobicContact CE3-CB 3.98Å; W36-C89 HydrophobicContact CH2-CB 4.06Å; W36-C89 HydrophobicContact CZ2-CB 4.23Å; W36-C89 HydrophobicContact CZ3-CB 3.93Å
37	Y	95.5	Very high	93	Very high	35 Å²	35	56 Å²	56	14%	0.137	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	148.1	178.9	-64.9	-96.7	0	0	0	110	H35 T45 K46 F47 Y87 Y88 Q90	H35-Y37 HydrophobicContact CB-CD2 4.49Å; H35-Y37 HydrophobicContact CB-CE2 3.71Å; Y37-T45 HydrophobicContact CD1-CG2 3.84Å; Y37-T45 HydrophobicContact CG-CG2 4.09Å; Y37-K46 VanDerWaalsContact CA-O 3.26Å; Y37-K46 WeakPolarHBondContact CA-O 3.37Å; Y37-F47 HydrophobicContact CD1-CD2 4.14Å; Y37-F47 AromaticContact CE1-CD2 3.53Å; Y37-F47 HydrophobicContact CE1-CD2 3.53Å; Y37-F47 HydrophobicContact CE1-CE2 4.22Å; Y37-F47 HydrophobicContact CE2-CD2 4.41Å; Y37-F47 AromaticContact CZ-CD2 3.67Å; Y37-F47 AromaticContact CZ-CE2 3.89Å; Y37-Y87 VanDerWaalsContact O-CA 3.26Å; Y37-Y87 WeakPolarHBondContact O-CA 3.35Å; Y37-Y88 PolarHBondContact N-O 3.48Å; Y37-Y88 PolarHBondContact O-N 2.74Å; Y37-Q90 HydrophobicContact CD2-CB 4.25Å; Y37-Q90 HydrophobicContact CE2-CB 3.72Å; Y37-Q90 PolarHBondContact OH-OE1 2.89Å
38	Q	95	Very high	92.9	Very high	5 Å²	5	53.9 Å²	53.9	2%	0.023	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	134	172	-174.8	-168.5	67.2	0	0	109	K40 T45 K46 W48 A85 Y87	Q38-K40 VanDerWaalsContact OE1-CE 3.32Å; Q38-T45 WeakPolarHBondContact O-CA 3.45Å; Q38-K46 PolarHBondContact N-O 2.78Å; Q38-K46 PolarHBondContact O-N 2.85Å; Q38-W48 HydrophobicContact CB-CB 4.4Å; Q38-W48 HydrophobicContact CB-CD2 3.93Å; Q38-W48 HydrophobicContact CB-CE3 3.9Å; Q38-W48 HydrophobicContact CB-CG 4.17Å; Q38-A85 HydrophobicContact CG-CB 3.44Å; Q38-A85 VanDerWaalsContact CG-CB 3.44Å; Q38-Y87 HydrophobicContact CB-CD1 4.1Å; Q38-Y87 HydrophobicContact CB-CE1 3.9Å; Q38-Y87 HydrophobicContact CG-CD1 4.19Å; Q38-Y87 HydrophobicContact CG-CE1 3.68Å; Q38-Y87 PolarHBondContact NE2-OH 3.03Å
39	Q	94.9	Very high	92.9	Very high	68 Å²	68	49.6 Å²	49.6	32%	0.318	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	109.4	172.2	-171.2	178.7	23	0	0	109.5	A85 T86 Y88	Q39-A85 WeakPolarHBondContact O-CB 3Å; Q39-T86 PolarHBondContact N-O 3.07Å; Q39-T86 PolarHBondContact O-N 3.1Å; Q39-Y88 HydrophobicContact CB-CE2 3.9Å; Q39-Y88 PolarHBondContact OE1-OH 3.18Å
40	K	92.3	Very high	93	Very high	72 Å²	72	53.5 Å²	53.5	31%	0.313	32%	0.319	S	S	.	.			trans	-84.2	149.1	170.8	-59.7	-177.6	177.4	-167.9	0	109.6	Q38 G42 T43 E82 A85	Q38-K40 VanDerWaalsContact OE1-CE 3.32Å; K40-G42 PolarHBondContact O-N 2.97Å; K40-T43 HydrophobicContact CB-CG2 4.26Å; K40-T43 WeakPolarHBondContact CB-OG1 3.39Å; K40-T43 PolarHBondContact N-OG1 3.44Å; K40-T43 PolarHBondContact O-N 3.34Å; K40-T43 PolarHBondContact O-OG1 3.01Å; K40-E82 WeakPolarHBondContact CE-O 2.98Å; K40-E82 PolarHBondContact NZ-O 2.83Å; K40-A85 HydrophobicContact CG-CB 3.98Å
41	S	89.6	Confident	93	Very high	128 Å²	128	57.3 Å²	57.3	90%	0.895	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	126.6	180	-167.1	0	0	0	0	111.1	T43	S41-T43 VanDerWaalsContact C-N 3.29Å; S41-T43 PolarHBondContact O-N 2.91Å
42	G	88.1	Confident	93.1	Very high	87 Å²	87	55.5 Å²	55.5	90%	0.897	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	7.5	-179.9	0	0	0	0	0	116.1	K40	K40-G42 PolarHBondContact O-N 2.97Å
43	T	88.9	Confident	93.2	Very high	75 Å²	75	55.8 Å²	55.8	46%	0.46	31%	0.313	S	S	.	.	S	Bend	trans	-118.1	166.9	179.7	69	0	0	0	0	112.2	K40 S41	K40-T43 HydrophobicContact CB-CG2 4.26Å; K40-T43 WeakPolarHBondContact CB-OG1 3.39Å; K40-T43 PolarHBondContact N-OG1 3.44Å; K40-T43 PolarHBondContact O-N 3.34Å; K40-T43 PolarHBondContact O-OG1 3.01Å; S41-T43 VanDerWaalsContact C-N 3.29Å; S41-T43 PolarHBondContact O-N 2.91Å
44	S	87.8	Confident	93.3	Very high	91 Å²	91	56.4 Å²	56.4	64%	0.636	32%	0.316	S	S	*	.			trans	-70.6	148.5	172.5	55.2	0	0	0	0	111.7	K46	S44-K46 PolarHBondContact O-N 2.87Å
45	T	91.8	Very high	93.3	Very high	69 Å²	69	59.5 Å²	59.5	42%	0.423	33%	0.332	S	S	.	.			trans	-63.9	126.3	171.7	-54.7	0	0	0	0	110	Y37 Q38	Y37-T45 HydrophobicContact CD1-CG2 3.84Å; Y37-T45 HydrophobicContact CG-CG2 4.09Å; Q38-T45 WeakPolarHBondContact O-CA 3.45Å
46	K	91.7	Very high	93.2	Very high	92 Å²	92	59.9 Å²	59.9	40%	0.4	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	146.2	176.9	-68.4	-170.8	171.6	-159.7	0	111.2	Y37 Q38 S44 E58	Y37-K46 VanDerWaalsContact CA-O 3.26Å; Y37-K46 WeakPolarHBondContact CA-O 3.37Å; Q38-K46 PolarHBondContact N-O 2.78Å; Q38-K46 PolarHBondContact O-N 2.85Å; S44-K46 PolarHBondContact O-N 2.87Å; K46-E58 IonicContact NZ-OE2 2.81Å; K46-E58 PolarHBondContact NZ-OE2 2.77Å
47	F	89.4	Confident	92.9	Very high	81 Å²	81	66 Å²	66	36%	0.355	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	125.9	169.2	-162.3	-127.7	0	0	0	109.3	H35 Y37 Y50 A56	H35-F47 HydrophobicContact CB-CE2 3.77Å; H35-F47 HydrophobicContact CB-CZ 4.49Å; H35-F47 AromaticContact CE1-CZ 3.95Å; H35-F47 AromaticContact CG-CE2 3.72Å; H35-F47 AromaticContact ND1-CE2 3.46Å; H35-F47 WeakPolarHBondContact ND1-CE2 3.12Å; H35-F47 AromaticContact ND1-CZ 3.32Å; H35-F47 VanDerWaalsContact ND1-CZ 3.32Å; H35-F47 WeakPolarHBondContact ND1-CZ 3.45Å; Y37-F47 HydrophobicContact CD1-CD2 4.14Å; Y37-F47 AromaticContact CE1-CD2 3.53Å; Y37-F47 HydrophobicContact CE1-CD2 3.53Å; Y37-F47 HydrophobicContact CE1-CE2 4.22Å; Y37-F47 HydrophobicContact CE2-CD2 4.41Å; Y37-F47 AromaticContact CZ-CD2 3.67Å; Y37-F47 AromaticContact CZ-CE2 3.89Å; F47-Y50 AromaticContact CE1-CD1 3.94Å; F47-Y50 HydrophobicContact CE1-CD1 3.94Å; F47-Y50 AromaticContact CE1-CG 3.75Å; F47-Y50 HydrophobicContact CE1-CG 3.75Å; F47-Y50 HydrophobicContact CZ-CG 4.14Å; F47-A56 HydrophobicContact CD1-CB 4.38Å; F47-A56 WeakPolarHBondContact O-CB 3.5Å
48	W	91.9	Very high	92.6	Very high	14 Å²	14	70.4 Å²	70.4	5%	0.053	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	-60.6	-171.4	-150.4	-113.4	0	0	0	111.3	W36 Q38 A56 V59 F63	W36-W48 WeakPolarHBondContact O-CA 3.3Å; W36-W48 WeakPolarHBondContact O-CB 3.44Å; W36-W48 PolarHBondContact O-N 2.89Å; Q38-W48 HydrophobicContact CB-CB 4.4Å; Q38-W48 HydrophobicContact CB-CD2 3.93Å; Q38-W48 HydrophobicContact CB-CE3 3.9Å; Q38-W48 HydrophobicContact CB-CG 4.17Å; W48-A56 WeakPolarHBondContact O-CB 3.13Å; W48-A56 PolarHBondContact O-N 2.84Å; W48-V59 HydrophobicContact CB-CG2 4.44Å; W48-V59 HydrophobicContact CD2-CB 4.3Å; W48-V59 HydrophobicContact CD2-CG1 4.04Å; W48-V59 HydrophobicContact CD2-CG2 3.37Å; W48-V59 VanDerWaalsContact CE2-CG1 3.47Å; W48-V59 HydrophobicContact CE3-CG2 3.46Å; W48-V59 VanDerWaalsContact CE3-CG2 3.46Å; W48-V59 HydrophobicContact CG-CG1 4.32Å; W48-V59 HydrophobicContact CG-CG2 3.83Å; W48-V59 HydrophobicContact CH2-CG1 4.49Å; W48-V59 HydrophobicContact CH2-CG2 4.09Å; W48-V59 HydrophobicContact CZ2-CB 4.24Å; W48-V59 HydrophobicContact CZ2-CG1 3.75Å; W48-V59 HydrophobicContact CZ2-CG2 4.04Å; W48-V59 HydrophobicContact CZ3-CG2 3.82Å; W48-V59 VanDerWaalsContact O-CG2 3.25Å; W48-V59 WeakPolarHBondContact O-CG2 3.32Å; W48-F63 AromaticContact CD1-CD1 3.71Å; W48-F63 AromaticContact CD1-CE1 4Å; W48-F63 AromaticContact CE2-CE1 3.96Å; W48-F63 AromaticContact CE2-CZ 3.92Å; W48-F63 HydrophobicContact CZ2-CD2 4.08Å; W48-F63 HydrophobicContact CZ2-CE1 4.29Å; W48-F63 AromaticContact CZ2-CE2 3.67Å; W48-F63 HydrophobicContact CZ2-CE2 3.67Å; W48-F63 AromaticContact CZ2-CZ 3.77Å; W48-F63 HydrophobicContact CZ2-CZ 3.77Å; W48-F63 AromaticContact NE1-CD1 3.02Å; W48-F63 AromaticContact NE1-CD2 3.68Å; W48-F63 AromaticContact NE1-CE1 3.1Å; W48-F63 AromaticContact NE1-CE2 3.79Å; W48-F63 AromaticContact NE1-CG 3.3Å; W48-F63 VanDerWaalsContact NE1-CG 3.3Å; W48-F63 AromaticContact NE1-CZ 3.5Å
49	I	95.7	Very high	92.3	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	137.4	175.7	-50.4	-165.3	0	0	0	108.8	H35 W36 T52 N54 L55 L74	H35-I49 CarbonylContact C-O 3.13Å; H35-I49 VanDerWaalsContact CA-O 3.31Å; H35-I49 WeakPolarHBondContact CA-O 3.32Å; W36-I49 HydrophobicContact CB-CB 4Å; W36-I49 HydrophobicContact CB-CG1 4.36Å; W36-I49 HydrophobicContact CG-CB 4.39Å; W36-I49 PolarHBondContact N-O 2.81Å; W36-I49 PolarHBondContact O-N 2.92Å; W36-I49 VanDerWaalsContact O-N 3.1Å; I49-T52 WeakPolarHBondContact CG2-O 3.18Å; I49-N54 CarbonylContact C-O 3.54Å; I49-N54 WeakPolarHBondContact CA-O 3.47Å; I49-N54 WeakPolarHBondContact CG2-O 3.39Å; I49-L55 HydrophobicContact CD1-CD2 3.8Å; I49-L55 HydrophobicContact CG1-CD2 3.88Å; I49-L74 HydrophobicContact CD1-CD1 3.31Å; I49-L74 HydrophobicContact CG1-CD1 4.08Å
50	Y	94.5	Very high	92	Very high	82 Å²	82	69.8 Å²	69.8	32%	0.322	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	155.1	177.6	73.2	-85.8	0	0	0	112	H35 F47 T52 S53 N54	H35-Y50 WeakPolarHBondContact ND1-CA 3.39Å; H35-Y50 WeakPolarHBondContact ND1-CB 3.25Å; F47-Y50 AromaticContact CE1-CD1 3.94Å; F47-Y50 HydrophobicContact CE1-CD1 3.94Å; F47-Y50 AromaticContact CE1-CG 3.75Å; F47-Y50 HydrophobicContact CE1-CG 3.75Å; F47-Y50 HydrophobicContact CZ-CG 4.14Å; Y50-T52 PolarHBondContact O-N 3.39Å; Y50-S53 PolarHBondContact O-N 2.86Å; Y50-N54 HydrophobicContact CD1-CB 3.7Å; Y50-N54 WeakPolarHBondContact CD1-O 3.49Å; Y50-N54 HydrophobicContact CD2-CB 3.95Å; Y50-N54 HydrophobicContact CE1-CB 3.38Å; Y50-N54 HydrophobicContact CE2-CB 3.63Å; Y50-N54 VanDerWaalsContact CE2-ND2 3.32Å; Y50-N54 WeakPolarHBondContact CE2-ND2 3.26Å; Y50-N54 HydrophobicContact CG-CB 3.95Å; Y50-N54 PolarHBondContact N-O 3.21Å; Y50-N54 WeakPolarHBondContact O-CB 3.23Å; Y50-N54 PolarHBondContact O-N 3.17Å
51	R	95.7	Very high	91.7	Very high	142 Å²	142	70.8 Å²	70.8	54%	0.536	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	46.8	-177.3	-64.7	174.2	176.4	-158.3	0.3	110.9	S31 S32 L34 S53	S31-R51 CarbonylContact O-C 3.6Å; S31-R51 WeakPolarHBondContact O-CA 3.45Å; S32-R51 WeakPolarHBondContact O-CG 3.28Å; L34-R51 PolarHBondContact O-N 3.08Å; R51-S53 PolarHBondContact O-N 2.73Å
52	T	96.1	Very high	91.9	Very high	5 Å²	5	66.3 Å²	66.3	3%	0.031	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.3	-37.5	-178.1	-57	0	0	0	0	116.7	S31 L34 I49 Y50 G65 S66 Y72	S31-T52 VanDerWaalsContact CA-OG1 3.24Å; S31-T52 WeakPolarHBondContact CA-OG1 3.19Å; S31-T52 WeakPolarHBondContact CB-OG1 3.36Å; S31-T52 PolarHBondContact O-N 2.9Å; S31-T52 PolarHBondContact O-OG1 2.9Å; L34-T52 PolarHBondContact O-N 2.8Å; I49-T52 WeakPolarHBondContact CG2-O 3.18Å; Y50-T52 PolarHBondContact O-N 3.39Å; T52-G65 CarbonylContact O-C 3.51Å; T52-G65 WeakPolarHBondContact O-CA 3.39Å; T52-S66 VanDerWaalsContact CG2-C 3.47Å; T52-Y72 HydrophobicContact CG2-CD1 3.72Å; T52-Y72 HydrophobicContact CG2-CE1 4.04Å; T52-Y72 WeakPolarHBondContact OG1-CE1 3.27Å
53	S	96	Very high	92.2	Very high	66 Å²	66	62.3 Å²	62.3	46%	0.462	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.1	-11.4	-166.2	58.8	0	0	0	0	115.4	Y50 R51 L55 G65	Y50-S53 PolarHBondContact O-N 2.86Å; R51-S53 PolarHBondContact O-N 2.73Å; S53-L55 PolarHBondContact O-N 3.32Å; S53-G65 VanDerWaalsContact CB-O 3.3Å; S53-G65 WeakPolarHBondContact CB-O 3.31Å
54	N	96.1	Very high	92.6	Very high	64 Å²	64	61.5 Å²	61.5	34%	0.342	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	121.6	-179.5	-64.1	-3.3	0	0	0	110.3	I49 Y50	I49-N54 CarbonylContact C-O 3.54Å; I49-N54 WeakPolarHBondContact CA-O 3.47Å; I49-N54 WeakPolarHBondContact CG2-O 3.39Å; Y50-N54 HydrophobicContact CD1-CB 3.7Å; Y50-N54 WeakPolarHBondContact CD1-O 3.49Å; Y50-N54 HydrophobicContact CD2-CB 3.95Å; Y50-N54 HydrophobicContact CE1-CB 3.38Å; Y50-N54 HydrophobicContact CE2-CB 3.63Å; Y50-N54 VanDerWaalsContact CE2-ND2 3.32Å; Y50-N54 WeakPolarHBondContact CE2-ND2 3.26Å; Y50-N54 HydrophobicContact CG-CB 3.95Å; Y50-N54 PolarHBondContact N-O 3.21Å; Y50-N54 WeakPolarHBondContact O-CB 3.23Å; Y50-N54 PolarHBondContact O-N 3.17Å
55	L	95.8	Very high	93	Very high	64 Å²	64	57.7 Å²	57.7	34%	0.335	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	137.9	175.5	-62.7	168.7	0	0	0	110.5	I49 S53 V59 F63	I49-L55 HydrophobicContact CD1-CD2 3.8Å; I49-L55 HydrophobicContact CG1-CD2 3.88Å; S53-L55 PolarHBondContact O-N 3.32Å; L55-V59 HydrophobicContact CB-CB 4.27Å; L55-V59 HydrophobicContact CD2-CB 4.23Å; L55-V59 HydrophobicContact CD2-CG1 3.6Å; L55-F63 HydrophobicContact CD2-CB 3.79Å; L55-F63 WeakPolarHBondContact CD2-O 3.11Å
56	A	94.3	Very high	93.2	Very high	18 Å²	18	57.3 Å²	57.3	15%	0.149	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-68.2	157.5	165.3	0	0	0	0	0	110.1	F47 W48 E58 V59	F47-A56 HydrophobicContact CD1-CB 4.38Å; F47-A56 WeakPolarHBondContact O-CB 3.5Å; W48-A56 WeakPolarHBondContact O-CB 3.13Å; W48-A56 PolarHBondContact O-N 2.84Å; A56-E58 PolarHBondContact O-N 3.2Å; A56-E58 VanDerWaalsContact O-N 3.1Å; A56-V59 HydrophobicContact CB-CG2 4.05Å; A56-V59 WeakPolarHBondContact O-CB 3.49Å; A56-V59 PolarHBondContact O-N 2.79Å
57	S	91	Very high	93.5	Very high	127 Å²	127	54.6 Å²	54.6	89%	0.888	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-26.3	-170.1	52.5	0	0	0	0	115.2
58	E	88.1	Confident	93.8	Very high	128 Å²	128	54.6 Å²	54.6	60%	0.598	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-1.3	-179.4	-62	-174.3	178.4	0	0	113.3	K46 A56 P60	K46-E58 IonicContact NZ-OE2 2.81Å; K46-E58 PolarHBondContact NZ-OE2 2.77Å; A56-E58 PolarHBondContact O-N 3.2Å; A56-E58 VanDerWaalsContact O-N 3.1Å; E58-P60 WeakPolarHBondContact O-CD 3.49Å
59	V	88.5	Confident	93.9	Very high	16 Å²	16	54.8 Å²	54.8	10%	0.097	34%	0.339	C	S	.	.			trans	-89.2	125.3	-171.9	-179.4	0	0	0	0	111.4	W48 L55 A56 F63	W48-V59 HydrophobicContact CB-CG2 4.44Å; W48-V59 HydrophobicContact CD2-CB 4.3Å; W48-V59 HydrophobicContact CD2-CG1 4.04Å; W48-V59 HydrophobicContact CD2-CG2 3.37Å; W48-V59 VanDerWaalsContact CE2-CG1 3.47Å; W48-V59 HydrophobicContact CE3-CG2 3.46Å; W48-V59 VanDerWaalsContact CE3-CG2 3.46Å; W48-V59 HydrophobicContact CG-CG1 4.32Å; W48-V59 HydrophobicContact CG-CG2 3.83Å; W48-V59 HydrophobicContact CH2-CG1 4.49Å; W48-V59 HydrophobicContact CH2-CG2 4.09Å; W48-V59 HydrophobicContact CZ2-CB 4.24Å; W48-V59 HydrophobicContact CZ2-CG1 3.75Å; W48-V59 HydrophobicContact CZ2-CG2 4.04Å; W48-V59 HydrophobicContact CZ3-CG2 3.82Å; W48-V59 VanDerWaalsContact O-CG2 3.25Å; W48-V59 WeakPolarHBondContact O-CG2 3.32Å; L55-V59 HydrophobicContact CB-CB 4.27Å; L55-V59 HydrophobicContact CD2-CB 4.23Å; L55-V59 HydrophobicContact CD2-CG1 3.6Å; A56-V59 HydrophobicContact CB-CG2 4.05Å; A56-V59 WeakPolarHBondContact O-CB 3.49Å; A56-V59 PolarHBondContact O-N 2.79Å; V59-F63 HydrophobicContact CG1-CB 3.68Å; V59-F63 HydrophobicContact CG1-CD2 3.77Å; V59-F63 HydrophobicContact CG1-CG 3.82Å
60	P	88.2	Confident	94	Very high	44 Å²	44	58.2 Å²	58.2	29%	0.286	36%	0.359	S	S	.	.			trans	-59.7	152.5	175.3	-26	36.6	0	0	0	113.4	E58 P62 F63	E58-P60 WeakPolarHBondContact O-CD 3.49Å; P60-P62 HydrophobicContact CB-CG 4.03Å; P60-F63 HydrophobicContact CB-CD2 4.32Å; P60-F63 HydrophobicContact CB-CE2 4.46Å; P60-F63 HydrophobicContact CG-CE2 4.45Å; P60-F63 WeakPolarHBondContact O-CD2 3.13Å; P60-F63 PolarHBondContact O-N 3.02Å
61	A	86.3	Confident	94.1	Very high	93 Å²	93	57.4 Å²	57.4	77%	0.769	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-27.5	178.1	0	0	0	0	0	117.6	F63	A61-F63 PolarHBondContact O-N 3.1Å; A61-F63 VanDerWaalsContact O-N 3.11Å
62	P	93.3	Very high	94.2	Very high	34 Å²	34	50.8 Å²	50.8	22%	0.221	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-13.6	179.1	23.8	-37.2	0	0	0	114.4	P60 I76 S77	P60-P62 HydrophobicContact CB-CG 4.03Å; P62-I76 HydrophobicContact CB-CG2 4.26Å; P62-I76 CarbonylContact O-C 3.59Å; P62-I76 WeakPolarHBondContact O-CA 3.32Å; P62-S77 VanDerWaalsContact CA-OG 3.26Å; P62-S77 WeakPolarHBondContact CA-OG 3.32Å; P62-S77 VanDerWaalsContact CB-OG 3.28Å; P62-S77 WeakPolarHBondContact CB-OG 3.26Å; P62-S77 PolarHBondContact O-N 2.81Å; P62-S77 PolarHBondContact O-OG 3.26Å
63	F	95.4	Very high	94.3	Very high	3 Å²	3	51.4 Å²	51.4	1%	0.013	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	137.9	178.9	-69.9	-90.9	0	0	0	112	W48 L55 V59 P60 A61 L74 T75 I76 D83 Y87	W48-F63 AromaticContact CD1-CD1 3.71Å; W48-F63 AromaticContact CD1-CE1 4Å; W48-F63 AromaticContact CE2-CE1 3.96Å; W48-F63 AromaticContact CE2-CZ 3.92Å; W48-F63 HydrophobicContact CZ2-CD2 4.08Å; W48-F63 HydrophobicContact CZ2-CE1 4.29Å; W48-F63 AromaticContact CZ2-CE2 3.67Å; W48-F63 HydrophobicContact CZ2-CE2 3.67Å; W48-F63 AromaticContact CZ2-CZ 3.77Å; W48-F63 HydrophobicContact CZ2-CZ 3.77Å; W48-F63 AromaticContact NE1-CD1 3.02Å; W48-F63 AromaticContact NE1-CD2 3.68Å; W48-F63 AromaticContact NE1-CE1 3.1Å; W48-F63 AromaticContact NE1-CE2 3.79Å; W48-F63 AromaticContact NE1-CG 3.3Å; W48-F63 VanDerWaalsContact NE1-CG 3.3Å; W48-F63 AromaticContact NE1-CZ 3.5Å; L55-F63 HydrophobicContact CD2-CB 3.79Å; L55-F63 WeakPolarHBondContact CD2-O 3.11Å; V59-F63 HydrophobicContact CG1-CB 3.68Å; V59-F63 HydrophobicContact CG1-CD2 3.77Å; V59-F63 HydrophobicContact CG1-CG 3.82Å; P60-F63 HydrophobicContact CB-CD2 4.32Å; P60-F63 HydrophobicContact CB-CE2 4.46Å; P60-F63 HydrophobicContact CG-CE2 4.45Å; P60-F63 WeakPolarHBondContact O-CD2 3.13Å; P60-F63 PolarHBondContact O-N 3.02Å; A61-F63 PolarHBondContact O-N 3.1Å; A61-F63 VanDerWaalsContact O-N 3.11Å; F63-L74 HydrophobicContact CD1-CD1 4.28Å; F63-T75 CarbonylContact C-O 3.53Å; F63-T75 WeakPolarHBondContact CA-O 3.33Å; F63-I76 HydrophobicContact CD1-CB 4.5Å; F63-I76 HydrophobicContact CD1-CD1 4.17Å; F63-I76 HydrophobicContact CD1-CG1 3.71Å; F63-I76 HydrophobicContact CD1-CG2 4.45Å; F63-I76 HydrophobicContact CE1-CB 4.37Å; F63-I76 HydrophobicContact CE1-CD1 3.37Å; F63-I76 HydrophobicContact CE1-CG1 3.44Å; F63-I76 VanDerWaalsContact CE1-CG1 3.44Å; F63-I76 HydrophobicContact CE1-CG2 4.18Å; F63-I76 HydrophobicContact CE2-CG2 4.33Å; F63-I76 HydrophobicContact CZ-CD1 3.85Å; F63-I76 HydrophobicContact CZ-CG1 4.15Å; F63-I76 HydrophobicContact CZ-CG2 4.11Å; F63-D83 WeakPolarHBondContact CE2-OD1 3.42Å; F63-D83 HydrophobicContact CZ-CB 4.27Å; F63-D83 VanDerWaalsContact CZ-OD1 3.23Å; F63-D83 WeakPolarHBondContact CZ-OD1 3.24Å; F63-Y87 AromaticContact CE1-CE1 3.83Å; F63-Y87 HydrophobicContact CE1-CE1 3.83Å; F63-Y87 AromaticContact CE1-CZ 4Å
64	S	96.3	Very high	94.4	Very high	59 Å²	59	48.3 Å²	48.3	41%	0.413	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	141.1	172	54.3	0	0	0	0	110.7	T75	S64-T75 PolarHBondContact N-O 2.83Å; S64-T75 PolarHBondContact O-N 2.81Å
65	G	96.5	Very high	94.4	Very high	10 Å²	10	46 Å²	46	10%	0.103	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	143.3	173.6	0	0	0	0	0	110.4	T52 S53 S73	T52-G65 CarbonylContact O-C 3.51Å; T52-G65 WeakPolarHBondContact O-CA 3.39Å; S53-G65 VanDerWaalsContact CB-O 3.3Å; S53-G65 WeakPolarHBondContact CB-O 3.31Å; G65-S73 WeakPolarHBondContact CA-O 3.16Å
66	S	97	Very high	94.4	Very high	62 Å²	62	43.3 Å²	43.3	43%	0.434	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	165.9	179.8	77.3	0	0	0	0	111.7	T52 Y72 S73	T52-S66 VanDerWaalsContact CG2-C 3.47Å; S66-Y72 CarbonylContact O-C 3.54Å; S66-Y72 VanDerWaalsContact O-CA 3.28Å; S66-Y72 WeakPolarHBondContact O-CA 3.46Å; S66-S73 PolarHBondContact N-O 3.13Å; S66-S73 PolarHBondContact O-N 3.29Å; S66-S73 PolarHBondContact OG-OG 2.8Å
67	G	96.4	Very high	94.6	Very high	35 Å²	35	45.7 Å²	45.7	36%	0.361	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	124.1	175.1	174.7	0	0	0	0	0	114.8	S31 S71	S31-G67 PolarHBondContact OG-O 3.32Å; G67-S71 CarbonylContact C-O 3.53Å; G67-S71 WeakPolarHBondContact CA-O 3.46Å
68	S	95.9	Very high	94.8	Very high	80 Å²	80	41.6 Å²	41.6	56%	0.559	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-165.8	160.8	178.9	61.9	0	0	0	0	110.4	T70 S71	S68-T70 PolarHBondContact O-N 2.89Å; S68-S71 PolarHBondContact N-O 3.25Å; S68-S71 PolarHBondContact O-N 2.73Å
69	G	95.4	Very high	95.2	Very high	19 Å²	19	36.4 Å²	36.4	20%	0.196	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	64.7	-107.6	177.8	0	0	0	0	0	110.9	S28 V29 Y72	S28-G69 WeakPolarHBondContact OG-CA 3.33Å; V29-G69 PolarHBondContact N-O 2.9Å; G69-Y72 PolarHBondContact N-OH 2.89Å; G69-Y72 VanDerWaalsContact O-CE2 3.32Å; G69-Y72 WeakPolarHBondContact O-CE2 3.43Å; G69-Y72 PolarHBondContact O-OH 2.82Å; G69-Y72 VanDerWaalsContact O-OH 3.13Å
70	T	96.4	Very high	95.5	Very high	71 Å²	71	40.1 Å²	40.1	44%	0.436	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	-3.7	-175.2	54.2	0	0	0	0	114.3	S24 A25 S68	S24-T70 CarbonylContact C-O 3.55Å; S24-T70 VanDerWaalsContact CA-O 3.3Å; S24-T70 WeakPolarHBondContact CA-O 3.31Å; A25-T70 PolarHBondContact N-O 2.96Å; A25-T70 WeakPolarHBondContact O-CB 3.39Å; S68-T70 PolarHBondContact O-N 2.89Å
71	S	97.4	Very high	95.7	Very high	66 Å²	66	42.2 Å²	42.2	46%	0.462	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	126	-174.1	-169.1	0	0	0	0	111.7	G67 S68	G67-S71 CarbonylContact C-O 3.53Å; G67-S71 WeakPolarHBondContact CA-O 3.46Å; S68-S71 PolarHBondContact N-O 3.25Å; S68-S71 PolarHBondContact O-N 2.73Å
72	Y	97.9	Very high	95.9	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.008	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	156.7	-178.4	-59.5	-88.9	0	0	0	110.6	T22 C23 V29 L34 T52 S66 G69	T22-Y72 CarbonylContact C-O 3.55Å; T22-Y72 VanDerWaalsContact CA-O 3.27Å; T22-Y72 WeakPolarHBondContact CA-O 3.32Å; C23-Y72 PolarHBondContact N-O 2.82Å; C23-Y72 PolarHBondContact O-N 3.38Å; V29-Y72 HydrophobicContact CB-CE2 4.22Å; V29-Y72 PolarHBondContact O-OH 2.83Å; L34-Y72 HydrophobicContact CB-CD1 4.09Å; L34-Y72 HydrophobicContact CB-CE1 3.84Å; L34-Y72 HydrophobicContact CB-CE2 4.48Å; L34-Y72 HydrophobicContact CD1-CD1 3.63Å; L34-Y72 HydrophobicContact CD1-CD2 4.48Å; L34-Y72 HydrophobicContact CD1-CE1 4.27Å; L34-Y72 HydrophobicContact CD1-CG 3.75Å; L34-Y72 HydrophobicContact CG-CD1 3.66Å; L34-Y72 HydrophobicContact CG-CD2 3.91Å; L34-Y72 HydrophobicContact CG-CE1 3.9Å; L34-Y72 HydrophobicContact CG-CE2 4.16Å; L34-Y72 HydrophobicContact CG-CG 3.66Å; T52-Y72 HydrophobicContact CG2-CD1 3.72Å; T52-Y72 HydrophobicContact CG2-CE1 4.04Å; T52-Y72 WeakPolarHBondContact OG1-CE1 3.27Å; S66-Y72 CarbonylContact O-C 3.54Å; S66-Y72 VanDerWaalsContact O-CA 3.28Å; S66-Y72 WeakPolarHBondContact O-CA 3.46Å; G69-Y72 PolarHBondContact N-OH 2.89Å; G69-Y72 VanDerWaalsContact O-CE2 3.32Å; G69-Y72 WeakPolarHBondContact O-CE2 3.43Å; G69-Y72 PolarHBondContact O-OH 2.82Å; G69-Y72 VanDerWaalsContact O-OH 3.13Å
73	S	97.8	Very high	95.9	Very high	18 Å²	18	42.3 Å²	42.3	13%	0.126	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	150.8	173.9	67.1	0	0	0	0	112.3	M21 G65 S66	M21-S73 CarbonylContact O-C 3.54Å; M21-S73 WeakPolarHBondContact O-CA 3.45Å; M21-S73 WeakPolarHBondContact O-CB 3.27Å; G65-S73 WeakPolarHBondContact CA-O 3.16Å; S66-S73 PolarHBondContact N-O 3.13Å; S66-S73 PolarHBondContact O-N 3.29Å; S66-S73 PolarHBondContact OG-OG 2.8Å
74	L	97.4	Very high	95.8	Very high	2 Å²	2	46 Å²	46	1%	0.01	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	127.1	165.7	175.9	68.7	0	0	0	107.2	T20 M21 W36 I49 F63 Y87	T20-L74 WeakPolarHBondContact CA-O 3.26Å; M21-L74 HydrophobicContact CG-CB 3.75Å; M21-L74 HydrophobicContact CG-CD2 4.34Å; M21-L74 HydrophobicContact CG-CG 4.43Å; M21-L74 PolarHBondContact N-O 2.97Å; M21-L74 PolarHBondContact O-N 2.03Å; M21-L74 HydrophobicContact SD-CB 4.34Å; M21-L74 HydrophobicContact SD-CD2 3.91Å; W36-L74 HydrophobicContact CD2-CB 3.69Å; W36-L74 HydrophobicContact CD2-CD2 4.2Å; W36-L74 HydrophobicContact CD2-CG 4.38Å; W36-L74 HydrophobicContact CE3-CB 3.84Å; W36-L74 HydrophobicContact CE3-CD2 3.89Å; W36-L74 HydrophobicContact CE3-CG 4.45Å; W36-L74 HydrophobicContact CG-CB 4.31Å; W36-L74 HydrophobicContact CG-CD1 4.36Å; W36-L74 HydrophobicContact CH2-CB 3.87Å; W36-L74 HydrophobicContact CZ2-CB 3.74Å; W36-L74 HydrophobicContact CZ3-CB 3.92Å; W36-L74 HydrophobicContact CZ3-CD2 4.38Å; I49-L74 HydrophobicContact CD1-CD1 3.31Å; I49-L74 HydrophobicContact CG1-CD1 4.08Å; F63-L74 HydrophobicContact CD1-CD1 4.28Å; L74-Y87 HydrophobicContact CD2-CD1 3.5Å; L74-Y87 HydrophobicContact CD2-CE1 4.14Å; L74-Y87 HydrophobicContact CD2-CG 3.9Å
75	T	97.3	Very high	95.8	Very high	16 Å²	16	44.7 Å²	44.7	10%	0.098	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	134.6	178.2	-64.2	0	0	0	0	109.7	K18 V19 T20 F63 S64	K18-T75 HydrophobicContact CD-CG2 4.44Å; K18-T75 HydrophobicContact CG-CG2 4.2Å; V19-T75 CarbonylContact O-C 2.96Å; V19-T75 VanDerWaalsContact O-CA 3.29Å; V19-T75 WeakPolarHBondContact O-CA 3.23Å; T20-T75 PolarHBondContact OG1-OG1 3.37Å; F63-T75 CarbonylContact C-O 3.53Å; F63-T75 WeakPolarHBondContact CA-O 3.33Å; S64-T75 PolarHBondContact N-O 2.83Å; S64-T75 PolarHBondContact O-N 2.81Å
76	I	96.5	Very high	95.7	Very high	7 Å²	7	47.6 Å²	47.6	4%	0.036	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	115.5	167.1	-40.8	179.5	0	0	0	105.6	K18 V19 P62 F63 S78 V79 D83 Y87	K18-I76 WeakPolarHBondContact CA-O 3.48Å; V19-I76 HydrophobicContact CG2-CB 3.58Å; V19-I76 HydrophobicContact CG2-CD1 3.78Å; V19-I76 HydrophobicContact CG2-CG1 3.68Å; V19-I76 PolarHBondContact N-O 2.9Å; V19-I76 PolarHBondContact O-N 3.04Å; P62-I76 HydrophobicContact CB-CG2 4.26Å; P62-I76 CarbonylContact O-C 3.59Å; P62-I76 WeakPolarHBondContact O-CA 3.32Å; F63-I76 HydrophobicContact CD1-CB 4.5Å; F63-I76 HydrophobicContact CD1-CD1 4.17Å; F63-I76 HydrophobicContact CD1-CG1 3.71Å; F63-I76 HydrophobicContact CD1-CG2 4.45Å; F63-I76 HydrophobicContact CE1-CB 4.37Å; F63-I76 HydrophobicContact CE1-CD1 3.37Å; F63-I76 HydrophobicContact CE1-CG1 3.44Å; F63-I76 VanDerWaalsContact CE1-CG1 3.44Å; F63-I76 HydrophobicContact CE1-CG2 4.18Å; F63-I76 HydrophobicContact CE2-CG2 4.33Å; F63-I76 HydrophobicContact CZ-CD1 3.85Å; F63-I76 HydrophobicContact CZ-CG1 4.15Å; F63-I76 HydrophobicContact CZ-CG2 4.11Å; I76-S78 VanDerWaalsContact C-N 3.31Å; I76-S78 PolarHBondContact O-N 3.35Å; I76-V79 HydrophobicContact CB-CG2 4.25Å; I76-V79 HydrophobicContact CG2-CG2 4.26Å; I76-D83 HydrophobicContact CD1-CB 4.29Å; I76-Y87 HydrophobicContact CD1-CE2 4.43Å
77	S	97	Very high	95.7	Very high	67 Å²	67	45.3 Å²	45.3	47%	0.469	30%	0.303	S	S	.	.	S	Bend	trans	-72.4	-26.4	-172.8	61.6	0	0	0	0	113.6	P62	P62-S77 VanDerWaalsContact CA-OG 3.26Å; P62-S77 WeakPolarHBondContact CA-OG 3.32Å; P62-S77 VanDerWaalsContact CB-OG 3.28Å; P62-S77 WeakPolarHBondContact CB-OG 3.26Å; P62-S77 PolarHBondContact O-N 2.81Å; P62-S77 PolarHBondContact O-OG 3.26Å
78	S	96.6	Very high	95.6	Very high	41 Å²	41	48.1 Å²	48.1	29%	0.287	30%	0.303	S	S	.	.	S	Bend	trans	-150.7	104.8	179	-179.6	0	0	0	0	107	G16 I76	G16-S78 WeakPolarHBondContact CA-OG 3.3Å; I76-S78 VanDerWaalsContact C-N 3.31Å; I76-S78 PolarHBondContact O-N 3.35Å
79	V	95.5	Very high	95.6	Very high	19 Å²	19	45 Å²	45	12%	0.115	28%	0.281	C	S	.	.			trans	-70.1	136.1	179.7	170.8	0	0	0	0	110.4	A13 P15 G16 E17 V19 I76 D83	A13-V79 HydrophobicContact CB-CB 4.44Å; A13-V79 HydrophobicContact CB-CG1 4.43Å; A13-V79 HydrophobicContact CB-CG2 4.15Å; P15-V79 CarbonylContact C-O 3.54Å; P15-V79 VanDerWaalsContact CA-O 3.24Å; P15-V79 WeakPolarHBondContact CA-O 3.4Å; G16-V79 PolarHBondContact N-O 3.39Å; E17-V79 WeakPolarHBondContact O-CG2 3.32Å; E17-V79 PolarHBondContact O-N 2.81Å; V19-V79 HydrophobicContact CB-CG2 4.18Å; V19-V79 HydrophobicContact CG1-CG2 3.73Å; V19-V79 HydrophobicContact CG2-CG2 3.39Å; I76-V79 HydrophobicContact CB-CG2 4.25Å; I76-V79 HydrophobicContact CG2-CG2 4.26Å; V79-D83 HydrophobicContact CG1-CB 4.47Å
80	E	94.7	Very high	95.6	Very high	95 Å²	95	48.2 Å²	48.2	44%	0.444	29%	0.291	S	S	.	.			trans	-115.1	163.4	168.6	-64	-59.5	146.5	0	0	111.1	E82 D83	E80-E82 HydrophobicContact CB-CG 4.02Å; E80-E82 PolarHBondContact O-N 3.3Å; E80-E82 VanDerWaalsContact O-N 3.14Å; E80-D83 PolarHBondContact N-OD2 3.21Å; E80-D83 WeakPolarHBondContact O-CB 3.35Å; E80-D83 PolarHBondContact O-N 2.98Å
81	A	92.2	Very high	95.4	Very high	88 Å²	88	45.8 Å²	45.8	73%	0.727	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-58.6	-29.5	179.7	0	0	0	0	0	113	D83 A84	A81-D83 VanDerWaalsContact C-N 3.26Å; A81-D83 PolarHBondContact O-N 3.19Å; A81-A84 WeakPolarHBondContact O-CB 3.44Å; A81-A84 PolarHBondContact O-N 3.36Å
82	E	90.9	Very high	95	Very high	120 Å²	120	48.4 Å²	48.4	56%	0.561	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-73.5	-13.7	177.8	61.8	177.4	-152.8	0	0	114.4	K40 E80 A84	K40-E82 WeakPolarHBondContact CE-O 2.98Å; K40-E82 PolarHBondContact NZ-O 2.83Å; E80-E82 HydrophobicContact CB-CG 4.02Å; E80-E82 PolarHBondContact O-N 3.3Å; E80-E82 VanDerWaalsContact O-N 3.14Å; E82-A84 VanDerWaalsContact C-N 3.27Å
83	D	93.2	Very high	94.2	Very high	9 Å²	9	51 Å²	51	5%	0.048	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-82.5	-6.7	178.5	-61.2	-34.9	0	0	0	112.7	F63 I76 V79 E80 A81 A85 Y87	F63-D83 WeakPolarHBondContact CE2-OD1 3.42Å; F63-D83 HydrophobicContact CZ-CB 4.27Å; F63-D83 VanDerWaalsContact CZ-OD1 3.23Å; F63-D83 WeakPolarHBondContact CZ-OD1 3.24Å; I76-D83 HydrophobicContact CD1-CB 4.29Å; V79-D83 HydrophobicContact CG1-CB 4.47Å; E80-D83 PolarHBondContact N-OD2 3.21Å; E80-D83 WeakPolarHBondContact O-CB 3.35Å; E80-D83 PolarHBondContact O-N 2.98Å; A81-D83 VanDerWaalsContact C-N 3.26Å; A81-D83 PolarHBondContact O-N 3.19Å; D83-A85 PolarHBondContact O-N 2.89Å; D83-Y87 WeakPolarHBondContact O-CE2 3.46Å; D83-Y87 PolarHBondContact O-OH 3Å
84	A	93.8	Very high	92.9	Very high	80 Å²	80	51.6 Å²	51.6	66%	0.661	30%	0.302	S	S	*	.			trans	-61.8	101.9	174.9	0	0	0	0	0	110.6	A81 E82	A81-A84 WeakPolarHBondContact O-CB 3.44Å; A81-A84 PolarHBondContact O-N 3.36Å; E82-A84 VanDerWaalsContact C-N 3.27Å
85	A	95.1	Very high	91.4	Very high	31 Å²	31	60.3 Å²	60.3	26%	0.256	34%	0.336	S	S	.	.	S	Bend	trans	-159.6	166.9	-175.3	0	0	0	0	0	110.4	Q38 Q39 K40 D83 Y87	Q38-A85 HydrophobicContact CG-CB 3.44Å; Q38-A85 VanDerWaalsContact CG-CB 3.44Å; Q39-A85 WeakPolarHBondContact O-CB 3Å; K40-A85 HydrophobicContact CG-CB 3.98Å; D83-A85 PolarHBondContact O-N 2.89Å; A85-Y87 HydrophobicContact CB-CD2 4.4Å; A85-Y87 HydrophobicContact CB-CE2 3.84Å; A85-Y87 WeakPolarHBondContact O-CD2 3.32Å
86	T	95.8	Very high	89.2	Confident	72 Å²	72	67.4 Å²	67.4	44%	0.442	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	133.7	162.1	-42.6	0	0	0	0	109.3	Q39 Y88	Q39-T86 PolarHBondContact N-O 3.07Å; Q39-T86 PolarHBondContact O-N 3.1Å; T86-Y88 WeakPolarHBondContact CB-OH 3.46Å; T86-Y88 HydrophobicContact CG2-CD1 4.45Å; T86-Y88 HydrophobicContact CG2-CD2 4.41Å; T86-Y88 HydrophobicContact CG2-CE1 3.66Å; T86-Y88 HydrophobicContact CG2-CE2 3.61Å; T86-Y88 WeakPolarHBondContact CG2-OH 3.34Å
87	Y	95.9	Very high	88.8	Confident	14 Å²	14	70.4 Å²	70.4	6%	0.055	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	137.2	178.8	-65.2	-93.8	0	0	0	110.1	Q6 M21 Y37 Q38 F63 L74 I76 D83 A85	Q6-Y87 PolarHBondContact NE2-O 2.97Å; M21-Y87 HydrophobicContact CE-CD2 3.87Å; M21-Y87 HydrophobicContact CE-CG 4.1Å; M21-Y87 WeakPolarHBondContact SD-CB 3.48Å; M21-Y87 HydrophobicContact SD-CG 4.18Å; Y37-Y87 VanDerWaalsContact O-CA 3.26Å; Y37-Y87 WeakPolarHBondContact O-CA 3.35Å; Q38-Y87 HydrophobicContact CB-CD1 4.1Å; Q38-Y87 HydrophobicContact CB-CE1 3.9Å; Q38-Y87 HydrophobicContact CG-CD1 4.19Å; Q38-Y87 HydrophobicContact CG-CE1 3.68Å; Q38-Y87 PolarHBondContact NE2-OH 3.03Å; F63-Y87 AromaticContact CE1-CE1 3.83Å; F63-Y87 HydrophobicContact CE1-CE1 3.83Å; F63-Y87 AromaticContact CE1-CZ 4Å; L74-Y87 HydrophobicContact CD2-CD1 3.5Å; L74-Y87 HydrophobicContact CD2-CE1 4.14Å; L74-Y87 HydrophobicContact CD2-CG 3.9Å; I76-Y87 HydrophobicContact CD1-CE2 4.43Å; D83-Y87 WeakPolarHBondContact O-CE2 3.46Å; D83-Y87 PolarHBondContact O-OH 3Å; A85-Y87 HydrophobicContact CB-CD2 4.4Å; A85-Y87 HydrophobicContact CB-CE2 3.84Å; A85-Y87 WeakPolarHBondContact O-CD2 3.32Å
88	Y	95.3	Very high	88.4	Confident	94 Å²	94	70.6 Å²	70.6	37%	0.369	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	138.9	-177	-54.5	-83.6	0	0	0	111.1	Q6 W36 Y37 Q39 T86	Q6-Y88 VanDerWaalsContact OE1-CA 3.26Å; W36-Y88 CarbonylContact C-O 3.58Å; W36-Y88 WeakPolarHBondContact CA-O 3.38Å; Y37-Y88 PolarHBondContact N-O 3.48Å; Y37-Y88 PolarHBondContact O-N 2.74Å; Q39-Y88 HydrophobicContact CB-CE2 3.9Å; Q39-Y88 PolarHBondContact OE1-OH 3.18Å; T86-Y88 WeakPolarHBondContact CB-OH 3.46Å; T86-Y88 HydrophobicContact CG2-CD1 4.45Å; T86-Y88 HydrophobicContact CG2-CD2 4.41Å; T86-Y88 HydrophobicContact CG2-CE1 3.66Å; T86-Y88 HydrophobicContact CG2-CE2 3.61Å; T86-Y88 WeakPolarHBondContact CG2-OH 3.34Å
89	C	95.8	Very high	88	Confident	14 Å²	14	72.2 Å²	72.2	10%	0.095	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	144.3	166.1	67.1	0	0	0	0	110.8	Q6 C23 L34 H35 W36	Q6-C89 VanDerWaalsContact CG-SG 3.58Å; C23-C89 HydrophobicContact CB-CB 3.52Å; C23-C89 WeakPolarHBondContact CB-SG 3.23Å; C23-C89 WeakPolarHBondContact SG-CB 3.17Å; C23-C89 CovalentContact SG-SG 2.03Å; C23-C89 PolarHBondContact SG-SG 2.93Å; L34-C89 HydrophobicContact CD2-CB 3.99Å; H35-C89 CarbonylContact O-C 3.52Å; H35-C89 VanDerWaalsContact O-CA 3.27Å; H35-C89 WeakPolarHBondContact O-CA 3.23Å; W36-C89 HydrophobicContact CD2-CB 4.18Å; W36-C89 HydrophobicContact CE3-CB 3.98Å; W36-C89 HydrophobicContact CH2-CB 4.06Å; W36-C89 HydrophobicContact CZ2-CB 4.23Å; W36-C89 HydrophobicContact CZ3-CB 3.93Å
90	Q	94.8	Very high	87.5	Confident	86 Å²	86	75.4 Å²	75.4	40%	0.402	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	142.8	174.3	-165.1	-170.7	1.4	0	0	109.9	L34 H35 Y37	L34-Q90 WeakPolarHBondContact CA-O 3.4Å; L34-Q90 VanDerWaalsContact CD2-O 3.23Å; L34-Q90 WeakPolarHBondContact CD2-O 3.29Å; H35-Q90 PolarHBondContact N-O 3.49Å; H35-Q90 PolarHBondContact O-N 3.41Å; Y37-Q90 HydrophobicContact CD2-CB 4.25Å; Y37-Q90 HydrophobicContact CE2-CB 3.72Å; Y37-Q90 PolarHBondContact OH-OE1 2.89Å
91	Q	93	Very high	87.1	Confident	20 Å²	20	74.1 Å²	74.1	9%	0.093	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	143.3	172.7	67.5	77.4	22.1	0	0	110.9	L4 V29 N33 S93 G94	L4-Q91 HydrophobicContact CD1-CB 4.09Å; L4-Q91 HydrophobicContact CD1-CG 3.94Å; L4-Q91 HydrophobicContact CD2-CB 4.44Å; L4-Q91 HydrophobicContact CD2-CG 4.07Å; L4-Q91 HydrophobicContact CG-CG 4.1Å; V29-Q91 HydrophobicContact CB-CB 4.47Å; V29-Q91 HydrophobicContact CG1-CB 3.72Å; V29-Q91 HydrophobicContact CG2-CB 3.83Å; V29-Q91 HydrophobicContact CG2-CG 4.08Å; N33-Q91 CarbonylContact O-C 3.48Å; N33-Q91 VanDerWaalsContact O-CA 3.23Å; N33-Q91 WeakPolarHBondContact O-CA 3.49Å; Q91-S93 PolarHBondContact OE1-OG 3.45Å; Q91-G94 PolarHBondContact NE2-O 2.75Å
92	W	88.7	Confident	86.7	Confident	121 Å²	121	73.2 Å²	73.2	46%	0.458	40%	0.397	S	S	.	.			trans	-113.4	11.5	176.8	-66.5	3.9	0	0	0	113.5	N33 H35 G94	N33-W92 HydrophobicContact CB-CB 4.36Å; N33-W92 PolarHBondContact O-N 2.96Å; H35-W92 AromaticContact CD2-CD2 3.86Å; H35-W92 AromaticContact CD2-CE2 3.89Å; H35-W92 AromaticContact CD2-CG 3.98Å; H35-W92 AromaticContact CD2-NE1 3.96Å; H35-W92 AromaticContact NE2-CD2 3.72Å; H35-W92 AromaticContact NE2-CE3 3.84Å; W92-G94 VanDerWaalsContact C-N 3.26Å; W92-G94 PolarHBondContact O-N 2.64Å
93	S	81.7	Confident	86.4	Confident	58 Å²	58	69.9 Å²	69.9	41%	0.406	39%	0.385	S	S	.	.	S	Bend	trans	-70.9	-20	176.3	62.5	0	0	0	0	113.9	Q91	Q91-S93 PolarHBondContact OE1-OG 3.45Å
94	G	70.5	Confident	85.9	Confident	30 Å²	30	74.5 Å²	74.5	31%	0.309	41%	0.411	S	S	.	.			trans	-162.9	137.5	170.4	0	0	0	0	0	110	Q91 W92	Q91-G94 PolarHBondContact NE2-O 2.75Å; W92-G94 VanDerWaalsContact C-N 3.26Å; W92-G94 PolarHBondContact O-N 2.64Å
95	Y	65.5	Low	85.2	Confident	184 Å²	184	74.1 Å²	74.1	72%	0.722	39%	0.39	S	S	*	.			trans	-71.7	168	165.7	-54.4	-74.2	0	0	0	108.5
96	P	50.9	Low	84.4	Confident	165 Å²	165	78 Å²	78	100%	1.071	40%	0.402	S	S	*	.			trans	-46.4	0	147.7	23.4	-31.9	0	0	0	110.3

Retrieved 96 of 96 residues in 83.6 ms (Link to these results)

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