A0A075B5N9_MOUSE Loading...

Immunoglobulin kappa variable 3-7

AlphaFold DB , UniProt , Accession A0A075B5N9, Species MOUSE (Mus musculus, Mouse), Gene Igkv3-7, Length 99 aa.

						>A0A075B5N9_MOUSE|A0A075B5N9|Igkv3-7
DIVLTQSPASLAVSLGQRATISCRASQSVSTSSYSYMHWYQQKPGQPPKLLIKYASNLESGVPARFSGSGSGTDFTLNIHPVEEEDTATYYCQHSWEIP
					

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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	D	86.6	Confident	96.2	Very high	183 Å²	183	85 Å²	85	98%	0.979	52%	0.522	S	S	*	.				0	147.8	0	-55.1	-23	0	0	0	111.9	Q27	D1-Q27 PolarHBondContact O-NE2 2.86Å
2	I	93.7	Very high	96.3	Very high	37 Å²	37	86.6 Å²	86.6	19%	0.19	55%	0.55	C	S	.	.			trans	-94.5	128.5	171.8	-59.7	-179.8	0	0	0	106.8	L4 A25 Q27 V29 H94 W96	I2-L4 HydrophobicContact CG2-CD2 4.29Å; I2-A25 HydrophobicContact CG2-CB 4.11Å; I2-Q27 HydrophobicContact CG1-CB 4.45Å; I2-V29 HydrophobicContact CD1-CG1 3.65Å; I2-V29 HydrophobicContact CG2-CG1 3.88Å; I2-H94 WeakPolarHBondContact CB-NE2 3.21Å; I2-W96 HydrophobicContact CD1-CZ2 4.1Å
3	V	97.1	Very high	96.3	Very high	87 Å²	87	83.6 Å²	83.6	53%	0.527	53%	0.53	S	S	.	.			trans	-109.9	132.8	-179.3	179.2	0	0	0	0	107.9	A25 S26	V3-A25 CarbonylContact O-C 3.58Å; V3-A25 WeakPolarHBondContact O-CA 3.45Å; V3-S26 PolarHBondContact N-OG 2.93Å; V3-S26 PolarHBondContact O-N 3.47Å
4	L	97.7	Very high	96.4	Very high	48 Å²	48	84 Å²	84	25%	0.251	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	135.9	175.7	-57.3	-175.2	0	0	0	110.3	I2 R24 A25 M37 C92	I2-L4 HydrophobicContact CG2-CD2 4.29Å; L4-R24 CarbonylContact C-O 3.56Å; L4-R24 WeakPolarHBondContact CA-O 3.47Å; L4-A25 HydrophobicContact CD2-CB 3.6Å; L4-M37 HydrophobicContact CD1-CE 4.33Å; L4-M37 HydrophobicContact CD1-SD 4.48Å; L4-M37 HydrophobicContact CD2-CE 3.86Å; L4-C92 WeakPolarHBondContact CD1-O 3Å
5	T	98.2	Very high	96.5	Very high	86 Å²	86	86.2 Å²	86.2	53%	0.528	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	133.1	171.3	58	0	0	0	0	109.7	C23 R24	T5-C23 CarbonylContact O-C 3.5Å; T5-C23 WeakPolarHBondContact O-CA 3.47Å; T5-R24 PolarHBondContact N-O 3.43Å; T5-R24 PolarHBondContact O-N 2.98Å
6	Q	98.5	Very high	96.6	Very high	67 Å²	67	83 Å²	83	31%	0.313	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	146.9	178.2	-76.8	-178.8	-114.5	0	0	111.8	S22 C23 Y90 C92	Q6-S22 WeakPolarHBondContact CA-O 3.29Å; Q6-C23 HydrophobicContact CG-CB 4.07Å; Q6-Y90 PolarHBondContact NE2-O 2.92Å; Q6-C92 HydrophobicContact CG-CB 4.46Å; Q6-C92 WeakPolarHBondContact CG-SG 3.41Å; Q6-C92 PolarHBondContact OE1-SG 3.12Å
7	S	98.2	Very high	96.6	Very high	64 Å²	64	85.1 Å²	85.1	45%	0.448	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	146.5	173.9	64.3	0	0	0	0	112	S22	S7-S22 PolarHBondContact N-O 3.04Å; S7-S22 PolarHBondContact O-N 3.47Å
8	P	98.2	Very high	96.7	Very high	59 Å²	59	88.9 Å²	88.9	38%	0.383	54%	0.535	S	S	.	.			cis	-72	167.3	-11	35	-38.1	0	0	0	112	S10 L11	P8-S10 VanDerWaalsContact C-N 3.27Å; P8-S10 WeakPolarHBondContact CG-O 3.47Å; P8-S10 PolarHBondContact O-N 3.34Å; P8-L11 HydrophobicContact CG-CB 3.82Å; P8-L11 HydrophobicContact CG-CD1 4.16Å; P8-L11 HydrophobicContact CG-CG 4.4Å
9	A	96.9	Very high	96.8	Very high	113 Å²	113	84.8 Å²	84.8	93%	0.934	51%	0.511	S	S	*	.	S	Bend	trans	-68.1	-28.2	176.1	0	0	0	0	0	113
10	S	97.1	Very high	96.9	Very high	106 Å²	106	83.3 Å²	83.3	74%	0.741	50%	0.502	S	S	*	.			trans	-150	146.2	172.5	-178.1	0	0	0	0	108.8	P8	P8-S10 VanDerWaalsContact C-N 3.27Å; P8-S10 WeakPolarHBondContact CG-O 3.47Å; P8-S10 PolarHBondContact O-N 3.34Å
11	L	96.3	Very high	97	Very high	85 Å²	85	80.3 Å²	80.3	45%	0.445	48%	0.483	S	S	.	.			trans	-139.9	124.6	-178.7	-175.8	66.6	0	0	0	109	P8 V13 A19	P8-L11 HydrophobicContact CG-CB 3.82Å; P8-L11 HydrophobicContact CG-CD1 4.16Å; P8-L11 HydrophobicContact CG-CG 4.4Å; L11-V13 HydrophobicContact CD1-CG2 4.1Å; L11-V13 HydrophobicContact CD2-CG2 3.59Å; L11-V13 HydrophobicContact CG-CG2 3.5Å; L11-A19 HydrophobicContact CD2-CB 3.85Å
12	A	96.9	Very high	97.5	Very high	104 Å²	104	73.8 Å²	73.8	86%	0.86	45%	0.452	S	S	*	.			trans	-107.1	121.6	171	0	0	0	0	0	108.8
13	V	96.1	Very high	97.8	Very high	48 Å²	48	72 Å²	72	29%	0.291	44%	0.443	S	S	.	.			trans	-130.7	139.9	-176.2	-176.1	0	0	0	0	109.1	L11 Q17 A19 V82	L11-V13 HydrophobicContact CD1-CG2 4.1Å; L11-V13 HydrophobicContact CD2-CG2 3.59Å; L11-V13 HydrophobicContact CG-CG2 3.5Å; V13-Q17 HydrophobicContact CG1-CB 3.47Å; V13-Q17 VanDerWaalsContact CG1-CB 3.47Å; V13-A19 HydrophobicContact CG2-CB 3.99Å; V13-V82 HydrophobicContact CG1-CG2 4.19Å
14	S	97.7	Very high	97.8	Very high	89 Å²	89	75 Å²	75	62%	0.622	45%	0.445	S	S	*	.			trans	-69.7	147.6	173.4	-54.4	0	0	0	0	111.4	G16 Q17	S14-G16 PolarHBondContact O-N 3.45Å; S14-Q17 VanDerWaalsContact O-CB 3.29Å; S14-Q17 WeakPolarHBondContact O-CB 3.22Å; S14-Q17 PolarHBondContact O-N 3.09Å; S14-Q17 VanDerWaalsContact O-N 3.09Å
15	L	97.7	Very high	97.8	Very high	117 Å²	117	72.9 Å²	72.9	61%	0.613	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	140.6	173.8	-59.9	179.7	0	0	0	111	Q17 V82 E84	L15-Q17 PolarHBondContact O-N 3.32Å; L15-V82 WeakPolarHBondContact CA-O 3.46Å; L15-E84 HydrophobicContact CD2-CB 4.44Å
16	G	98.1	Very high	97.8	Very high	35 Å²	35	72 Å²	72	36%	0.361	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	-20.8	-176.2	0	0	0	0	0	115.2	S14 H80 V82	S14-G16 PolarHBondContact O-N 3.45Å; G16-H80 PolarHBondContact O-CE1 3.47Å; G16-H80 PolarHBondContact O-ND1 2.83Å; G16-V82 PolarHBondContact N-O 3.01Å
17	Q	98.1	Very high	97.7	Very high	119 Å²	119	74 Å²	74	56%	0.556	44%	0.441	S	S	*	.	S	Bend	trans	-78.2	175.4	178.5	-62.8	-64.3	-53.9	0	0	111.5	V13 S14 L15 V82	V13-Q17 HydrophobicContact CG1-CB 3.47Å; V13-Q17 VanDerWaalsContact CG1-CB 3.47Å; S14-Q17 VanDerWaalsContact O-CB 3.29Å; S14-Q17 WeakPolarHBondContact O-CB 3.22Å; S14-Q17 PolarHBondContact O-N 3.09Å; S14-Q17 VanDerWaalsContact O-N 3.09Å; L15-Q17 PolarHBondContact O-N 3.32Å; Q17-V82 WeakPolarHBondContact O-CG2 3.42Å; Q17-V82 PolarHBondContact O-N 3.31Å
18	R	98.2	Very high	97.6	Very high	154 Å²	154	74 Å²	74	58%	0.581	44%	0.44	S	S	*	.			trans	-94.4	131.7	176.6	178.8	177.5	-62.6	-180	0.8	110.1	I79 H80	R18-I79 WeakPolarHBondContact CA-O 3.28Å; R18-H80 HydrophobicContact CB-CB 4.16Å; R18-H80 HydrophobicContact CG-CB 4.18Å
19	A	98.1	Very high	97.6	Very high	10 Å²	10	71.2 Å²	71.2	8%	0.083	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	137.8	163.7	0	0	0	0	0	109.9	L11 V13 N78 I79 V82	L11-A19 HydrophobicContact CD2-CB 3.85Å; V13-A19 HydrophobicContact CG2-CB 3.99Å; A19-N78 WeakPolarHBondContact O-CA 3.16Å; A19-I79 HydrophobicContact CB-CB 4.37Å; A19-I79 PolarHBondContact N-O 2.84Å; A19-I79 PolarHBondContact O-N 2.93Å; A19-V82 HydrophobicContact CB-CG2 3.64Å
20	T	98.4	Very high	97.5	Very high	54 Å²	54	66.9 Å²	66.9	33%	0.331	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	127.9	175	-60	0	0	0	0	109.1	T76 L77 N78	T20-T76 HydrophobicContact CG2-CG2 4.49Å; T20-L77 CarbonylContact C-O 3.54Å; T20-L77 WeakPolarHBondContact CA-O 3.42Å; T20-N78 WeakPolarHBondContact CG2-OD1 3.41Å; T20-N78 PolarHBondContact OG1-OD1 2.82Å
21	I	98.5	Very high	97.2	Very high	22 Å²	22	65.1 Å²	65.1	11%	0.113	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	127.7	176.5	-54.5	176.3	0	0	0	107.4	W39 T76 L77 Y90	I21-W39 HydrophobicContact CB-CH2 4.41Å; I21-W39 HydrophobicContact CB-CZ3 4.35Å; I21-W39 HydrophobicContact CG2-CH2 4.13Å; I21-W39 HydrophobicContact CG2-CZ3 3.96Å; I21-W39 WeakPolarHBondContact O-CH2 3.35Å; I21-T76 CarbonylContact O-C 3.55Å; I21-T76 VanDerWaalsContact O-CA 3.25Å; I21-T76 WeakPolarHBondContact O-CA 3.23Å; I21-L77 HydrophobicContact CB-CB 4.43Å; I21-L77 HydrophobicContact CD1-CD2 4.48Å; I21-L77 PolarHBondContact N-O 2.9Å; I21-L77 PolarHBondContact O-N 2.78Å; I21-Y90 HydrophobicContact CD1-CD2 3.81Å; I21-Y90 HydrophobicContact CD1-CG 3.8Å
22	S	98.6	Very high	96.8	Very high	45 Å²	45	67.1 Å²	67.1	32%	0.315	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	146.8	176.9	-61.9	0	0	0	0	110.6	Q6 S7 F75	Q6-S22 WeakPolarHBondContact CA-O 3.29Å; S7-S22 PolarHBondContact N-O 3.04Å; S7-S22 PolarHBondContact O-N 3.47Å; S22-F75 CarbonylContact C-O 3.54Å; S22-F75 WeakPolarHBondContact CA-O 3.4Å
23	C	98.5	Very high	96.4	Very high	1 Å²	1	66.2 Å²	66.2	1%	0.007	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	128	170.1	176.7	0	0	0	0	109.2	T5 Q6 W39 F75 C92	T5-C23 CarbonylContact O-C 3.5Å; T5-C23 WeakPolarHBondContact O-CA 3.47Å; Q6-C23 HydrophobicContact CG-CB 4.07Å; C23-W39 HydrophobicContact CB-CH2 3.55Å; C23-W39 HydrophobicContact CB-CZ2 3.79Å; C23-W39 HydrophobicContact CB-CZ3 4.4Å; C23-F75 HydrophobicContact CB-CB 4.36Å; C23-F75 PolarHBondContact N-O 2.87Å; C23-F75 PolarHBondContact O-N 3.41Å; C23-C92 HydrophobicContact CB-CB 3.45Å; C23-C92 VanDerWaalsContact CB-CB 3.45Å; C23-C92 WeakPolarHBondContact CB-SG 3.23Å; C23-C92 WeakPolarHBondContact SG-CB 3.37Å; C23-C92 CovalentContact SG-SG 2.02Å; C23-C92 PolarHBondContact SG-SG 3.37Å
24	R	98.4	Very high	96.1	Very high	150 Å²	150	70 Å²	70	57%	0.566	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.1	125.5	178.6	-175.5	172.3	178.4	175.6	2.6	110.8	L4 T5 T73 D74	L4-R24 CarbonylContact C-O 3.56Å; L4-R24 WeakPolarHBondContact CA-O 3.47Å; T5-R24 PolarHBondContact N-O 3.43Å; T5-R24 PolarHBondContact O-N 2.98Å; R24-T73 CarbonylContact C-O 3.59Å; R24-T73 VanDerWaalsContact CA-O 3.26Å; R24-T73 WeakPolarHBondContact CA-O 3.49Å; R24-D74 IonicContact NE-OD1 3.98Å
25	A	98.1	Very high	96	Very high	2 Å²	2	66.7 Å²	66.7	2%	0.017	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	144.1	171.5	0	0	0	0	0	110.9	I2 V3 L4 Q27 V29 T73	I2-A25 HydrophobicContact CG2-CB 4.11Å; V3-A25 CarbonylContact O-C 3.58Å; V3-A25 WeakPolarHBondContact O-CA 3.45Å; L4-A25 HydrophobicContact CD2-CB 3.6Å; A25-Q27 VanDerWaalsContact CB-O 3.22Å; A25-Q27 WeakPolarHBondContact CB-O 2.98Å; A25-Q27 PolarHBondContact O-N 3Å; A25-V29 HydrophobicContact CB-CG1 4.18Å; A25-V29 HydrophobicContact CB-CG2 4.22Å; A25-T73 PolarHBondContact N-O 2.79Å
26	S	97.9	Very high	95.9	Very high	69 Å²	69	63.2 Å²	63.2	48%	0.483	34%	0.344	S	S	.	.	S	Bend	trans	-68.1	-18.2	176.3	63.8	0	0	0	0	113.5	V3	V3-S26 PolarHBondContact N-OG 2.93Å; V3-S26 PolarHBondContact O-N 3.47Å
27	Q	96.5	Very high	95.9	Very high	109 Å²	109	61.6 Å²	61.6	51%	0.509	33%	0.327	S	S	.	.	S	Bend	trans	-143.7	161.8	178.4	-60.7	-178.9	59.1	0	0	109.2	D1 I2 A25 V29	D1-Q27 PolarHBondContact O-NE2 2.86Å; I2-Q27 HydrophobicContact CG1-CB 4.45Å; A25-Q27 VanDerWaalsContact CB-O 3.22Å; A25-Q27 WeakPolarHBondContact CB-O 2.98Å; A25-Q27 PolarHBondContact O-N 3Å; Q27-V29 PolarHBondContact O-N 3.37Å
28	S	96.4	Very high	95.8	Very high	63 Å²	63	55.9 Å²	55.9	44%	0.441	30%	0.301	S	S	.	.			trans	-61.8	124.2	178.7	-176.6	0	0	0	0	111.1	S30 G72	S28-S30 PolarHBondContact OG-N 2.69Å; S28-S30 PolarHBondContact OG-O 2.74Å; S28-G72 WeakPolarHBondContact CA-O 3.33Å; S28-G72 WeakPolarHBondContact OG-CA 3.42Å
29	V	96.2	Very high	95.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.273	C	S	.	.			trans	-107.4	32	171.6	-65.2	0	0	0	0	110.8	I2 A25 Q27 Y36 M37 G72 F75 H94	I2-V29 HydrophobicContact CD1-CG1 3.65Å; I2-V29 HydrophobicContact CG2-CG1 3.88Å; A25-V29 HydrophobicContact CB-CG1 4.18Å; A25-V29 HydrophobicContact CB-CG2 4.22Å; Q27-V29 PolarHBondContact O-N 3.37Å; V29-Y36 WeakPolarHBondContact O-CB 3.41Å; V29-Y36 PolarHBondContact O-N 3.02Å; V29-M37 HydrophobicContact CG2-CE 4.01Å; V29-G72 PolarHBondContact N-O 3.37Å; V29-F75 HydrophobicContact CG2-CE2 3.43Å; V29-F75 VanDerWaalsContact CG2-CE2 3.43Å; V29-F75 HydrophobicContact CG2-CZ 3.48Å; V29-F75 VanDerWaalsContact CG2-CZ 3.48Å; V29-H94 HydrophobicContact CB-CB 4.23Å; V29-H94 HydrophobicContact CG1-CB 3.8Å; V29-H94 HydrophobicContact CG2-CB 4.48Å
30	S	95.4	Very high	95.8	Very high	22 Å²	22	49.8 Å²	49.8	15%	0.154	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-131.1	143.3	178.3	-57.6	0	0	0	0	111.1	S28 Y34 S35 G72	S28-S30 PolarHBondContact OG-N 2.69Å; S28-S30 PolarHBondContact OG-O 2.74Å; S30-Y34 CarbonylContact C-O 3.52Å; S30-Y34 VanDerWaalsContact CA-O 3.23Å; S30-Y34 WeakPolarHBondContact CA-O 3.34Å; S30-S35 WeakPolarHBondContact OG-CA 3.47Å; S30-S35 WeakPolarHBondContact OG-CB 3.37Å; S30-S35 PolarHBondContact OG-OG 2.88Å; S30-G72 PolarHBondContact OG-N 2.95Å
31	T	91.3	Very high	95.8	Very high	69 Å²	69	48.3 Å²	48.3	42%	0.423	27%	0.265	S	S	.	.			trans	-99.5	-175	166	62.5	0	0	0	0	109.5	S33 Y34 Y36	T31-S33 PolarHBondContact O-N 2.95Å; T31-S33 PolarHBondContact OG1-N 3.05Å; T31-Y34 PolarHBondContact N-O 2.92Å; T31-Y34 PolarHBondContact OG1-N 3.23Å; T31-Y34 VanDerWaalsContact OG1-N 3.12Å; T31-Y34 PolarHBondContact OG1-O 2.88Å; T31-Y36 HydrophobicContact CG2-CE2 3.67Å
32	S	88.3	Confident	95.8	Very high	127 Å²	127	50.1 Å²	50.1	89%	0.888	27%	0.273	S	S	*	.	S	Bend	trans	-63	-19.5	172.2	57.2	0	0	0	0	113.8
33	S	88	Confident	95.8	Very high	86 Å²	86	50.5 Å²	50.5	60%	0.601	27%	0.269	S	S	*	.	S	Bend	trans	-117.8	-25.1	-171.5	-55.1	0	0	0	0	113.8	T31	T31-S33 PolarHBondContact O-N 2.95Å; T31-S33 PolarHBondContact OG1-N 3.05Å
34	Y	90.2	Very high	95.7	Very high	128 Å²	128	56.1 Å²	56.1	50%	0.502	31%	0.306	S	S	.	.			trans	-142.7	144.3	-173.5	-64.3	-75.5	0	0	0	112.2	S30 T31 Y54	S30-Y34 CarbonylContact C-O 3.52Å; S30-Y34 VanDerWaalsContact CA-O 3.23Å; S30-Y34 WeakPolarHBondContact CA-O 3.34Å; T31-Y34 PolarHBondContact N-O 2.92Å; T31-Y34 PolarHBondContact OG1-N 3.23Å; T31-Y34 VanDerWaalsContact OG1-N 3.12Å; T31-Y34 PolarHBondContact OG1-O 2.88Å; Y34-Y54 HydrophobicContact CD1-CD1 4.47Å; Y34-Y54 HydrophobicContact CD1-CG 4.49Å
35	S	94.9	Very high	95.6	Very high	18 Å²	18	53.4 Å²	53.4	13%	0.126	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-104.7	112.7	166.4	-73.5	0	0	0	0	109.3	S30 M37 Y54 A55	S30-S35 WeakPolarHBondContact OG-CA 3.47Å; S30-S35 WeakPolarHBondContact OG-CB 3.37Å; S30-S35 PolarHBondContact OG-OG 2.88Å; S35-M37 PolarHBondContact O-N 3.19Å; S35-Y54 CarbonylContact O-C 3.5Å; S35-Y54 WeakPolarHBondContact O-CA 3.41Å; S35-A55 PolarHBondContact O-N 3.46Å
36	Y	95.7	Very high	95.5	Very high	45 Å²	45	57.1 Å²	57.1	18%	0.176	34%	0.341	C	S	.	.			trans	-82.9	47.3	-173.7	-66.9	-85.8	0	0	0	112.2	V29 T31 Y54 H94 S95 W96	V29-Y36 WeakPolarHBondContact O-CB 3.41Å; V29-Y36 PolarHBondContact O-N 3.02Å; T31-Y36 HydrophobicContact CG2-CE2 3.67Å; Y36-Y54 HydrophobicContact CD1-CE1 4.5Å; Y36-H94 WeakPolarHBondContact O-CA 3.43Å; Y36-H94 WeakPolarHBondContact O-CB 3.37Å; Y36-S95 VanDerWaalsContact CB-O 3.28Å; Y36-S95 WeakPolarHBondContact CB-O 3.46Å; Y36-S95 WeakPolarHBondContact CD1-O 3.39Å; Y36-S95 PolarHBondContact O-N 2.77Å; Y36-W96 HydrophobicContact CD1-CE3 4.03Å; Y36-W96 AromaticContact CD2-CE3 3.36Å; Y36-W96 HydrophobicContact CD2-CE3 3.36Å; Y36-W96 HydrophobicContact CD2-CH2 4.49Å; Y36-W96 AromaticContact CD2-CZ3 3.26Å; Y36-W96 HydrophobicContact CD2-CZ3 3.26Å; Y36-W96 HydrophobicContact CE1-CE3 4.31Å; Y36-W96 AromaticContact CE2-CE3 3.71Å; Y36-W96 HydrophobicContact CE2-CE3 3.71Å; Y36-W96 AromaticContact CE2-CZ3 3.72Å; Y36-W96 HydrophobicContact CE2-CZ3 3.72Å; Y36-W96 AromaticContact CG-CE3 3.51Å; Y36-W96 HydrophobicContact CG-CE3 3.51Å; Y36-W96 AromaticContact CG-CZ3 3.82Å; Y36-W96 HydrophobicContact CG-CZ3 3.82Å
37	M	97.3	Very high	95.5	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	137.1	176.6	-174.5	57.6	72.3	0	0	110	L4 V29 S35 Y54 A55 F75 C92	L4-M37 HydrophobicContact CD1-CE 4.33Å; L4-M37 HydrophobicContact CD1-SD 4.48Å; L4-M37 HydrophobicContact CD2-CE 3.86Å; V29-M37 HydrophobicContact CG2-CE 4.01Å; S35-M37 PolarHBondContact O-N 3.19Å; M37-Y54 PolarHBondContact O-N 3.24Å; M37-Y54 VanDerWaalsContact O-N 3.14Å; M37-A55 HydrophobicContact CB-CB 4.34Å; M37-A55 PolarHBondContact O-N 3.14Å; M37-F75 HydrophobicContact CB-CD1 3.61Å; M37-F75 HydrophobicContact CB-CD2 4.23Å; M37-F75 HydrophobicContact CB-CE1 3.68Å; M37-F75 HydrophobicContact CB-CE2 4.28Å; M37-F75 HydrophobicContact CB-CG 3.9Å; M37-F75 HydrophobicContact CB-CZ 4.02Å; M37-F75 HydrophobicContact CE-CD2 3.42Å; M37-F75 VanDerWaalsContact CE-CD2 3.42Å; M37-F75 HydrophobicContact CE-CE2 3.68Å; M37-F75 HydrophobicContact CE-CG 4.06Å; M37-F75 HydrophobicContact CE-CZ 4.49Å; M37-F75 HydrophobicContact CG-CB 3.97Å; M37-F75 HydrophobicContact CG-CD1 3.82Å; M37-F75 HydrophobicContact CG-CD2 4Å; M37-F75 HydrophobicContact CG-CE1 4.35Å; M37-F75 HydrophobicContact CG-CG 3.63Å; M37-C92 HydrophobicContact SD-CB 3.68Å
38	H	97.6	Very high	95.5	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	146.3	-178.9	-51.4	-72.8	0	0	0	109.9	Y40 L50 I52 K53 Y54 C92 Q93 P99	H38-Y40 HydrophobicContact CB-CD2 4.5Å; H38-Y40 HydrophobicContact CB-CE2 3.69Å; H38-L50 HydrophobicContact CB-CD1 4.09Å; H38-I52 CarbonylContact C-O 3.52Å; H38-I52 VanDerWaalsContact CA-O 3.26Å; H38-I52 WeakPolarHBondContact CA-O 3.25Å; H38-K53 VanDerWaalsContact ND1-CA 3.33Å; H38-K53 WeakPolarHBondContact ND1-CA 3.38Å; H38-K53 WeakPolarHBondContact ND1-CB 3.37Å; H38-Y54 AromaticContact CE1-CD1 4Å; H38-Y54 PolarHBondContact ND1-N 3.12Å; H38-C92 CarbonylContact O-C 3.13Å; H38-C92 VanDerWaalsContact O-CA 3.27Å; H38-C92 WeakPolarHBondContact O-CA 3.31Å; H38-Q93 PolarHBondContact N-O 3.2Å; H38-Q93 PolarHBondContact O-N 3.36Å; H38-P99 HydrophobicContact CB-CG 4.47Å; H38-P99 WeakPolarHBondContact CE1-CG 3.46Å; H38-P99 WeakPolarHBondContact ND1-CG 3.22Å
39	W	98.4	Very high	95.6	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133.7	177.9	-69.3	98.9	0	0	0	110.5	I21 C23 L51 I52 F75 L77 Y91 C92	I21-W39 HydrophobicContact CB-CH2 4.41Å; I21-W39 HydrophobicContact CB-CZ3 4.35Å; I21-W39 HydrophobicContact CG2-CH2 4.13Å; I21-W39 HydrophobicContact CG2-CZ3 3.96Å; I21-W39 WeakPolarHBondContact O-CH2 3.35Å; C23-W39 HydrophobicContact CB-CH2 3.55Å; C23-W39 HydrophobicContact CB-CZ2 3.79Å; C23-W39 HydrophobicContact CB-CZ3 4.4Å; W39-L51 WeakPolarHBondContact O-CB 3.34Å; W39-L51 PolarHBondContact O-N 3.48Å; W39-I52 HydrophobicContact CB-CB 4.17Å; W39-I52 PolarHBondContact N-O 3.19Å; W39-I52 PolarHBondContact O-N 3.02Å; W39-F75 HydrophobicContact CZ2-CB 4.32Å; W39-L77 HydrophobicContact CB-CD1 4.3Å; W39-L77 HydrophobicContact CB-CD2 4.5Å; W39-L77 HydrophobicContact CD2-CB 3.61Å; W39-L77 HydrophobicContact CD2-CD1 4.42Å; W39-L77 HydrophobicContact CD2-CD2 4.19Å; W39-L77 HydrophobicContact CD2-CG 4.3Å; W39-L77 HydrophobicContact CE3-CB 3.71Å; W39-L77 HydrophobicContact CE3-CD2 3.85Å; W39-L77 HydrophobicContact CE3-CG 4.34Å; W39-L77 HydrophobicContact CG-CB 4.2Å; W39-L77 HydrophobicContact CG-CD1 4.14Å; W39-L77 HydrophobicContact CG-CD2 4.48Å; W39-L77 HydrophobicContact CH2-CB 3.86Å; W39-L77 HydrophobicContact CZ2-CB 3.79Å; W39-L77 VanDerWaalsContact CZ2-N 3.32Å; W39-L77 HydrophobicContact CZ3-CB 3.83Å; W39-L77 HydrophobicContact CZ3-CD2 4.38Å; W39-Y91 CarbonylContact C-O 3.57Å; W39-Y91 WeakPolarHBondContact CA-O 3.46Å; W39-C92 HydrophobicContact CD2-CB 4.3Å; W39-C92 HydrophobicContact CE3-CB 3.99Å; W39-C92 HydrophobicContact CH2-CB 4.09Å; W39-C92 HydrophobicContact CZ2-CB 4.36Å; W39-C92 HydrophobicContact CZ3-CB 3.89Å
40	Y	98.2	Very high	95.6	Very high	35 Å²	35	60.5 Å²	60.5	14%	0.137	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	147.4	179.4	-63.6	-98.9	0	0	0	111	H38 P48 K49 L50 Y90 Y91 Q93 P99	H38-Y40 HydrophobicContact CB-CD2 4.5Å; H38-Y40 HydrophobicContact CB-CE2 3.69Å; Y40-P48 HydrophobicContact CD1-CB 4.28Å; Y40-K49 CarbonylContact C-O 3.52Å; Y40-K49 WeakPolarHBondContact CA-O 3.1Å; Y40-L50 HydrophobicContact CD1-CB 4.21Å; Y40-L50 HydrophobicContact CD1-CD1 4.39Å; Y40-L50 HydrophobicContact CE1-CB 3.93Å; Y40-L50 HydrophobicContact CE1-CD1 3.87Å; Y40-L50 HydrophobicContact CE2-CD1 4.16Å; Y40-Y90 VanDerWaalsContact O-CA 3.3Å; Y40-Y90 WeakPolarHBondContact O-CA 3.26Å; Y40-Y91 PolarHBondContact N-O 3.34Å; Y40-Y91 PolarHBondContact O-N 3.44Å; Y40-Q93 HydrophobicContact CD2-CB 4.34Å; Y40-Q93 HydrophobicContact CE2-CB 3.89Å; Y40-Q93 PolarHBondContact OH-OE1 3.44Å; Y40-P99 WeakPolarHBondContact OH-CB 3.29Å
41	Q	98.4	Very high	95.8	Very high	23 Å²	23	59.9 Å²	59.9	11%	0.107	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	130.1	170.1	-174.3	-171.9	68.7	0	0	109.6	P48 K49 L51 A88 Y90	Q41-P48 WeakPolarHBondContact O-CA 3.31Å; Q41-K49 PolarHBondContact N-O 2.81Å; Q41-K49 PolarHBondContact O-N 2.83Å; Q41-L51 HydrophobicContact CB-CD1 3.73Å; Q41-L51 HydrophobicContact CB-CD2 3.97Å; Q41-L51 HydrophobicContact CB-CG 3.83Å; Q41-A88 HydrophobicContact CG-CB 3.36Å; Q41-Y90 HydrophobicContact CB-CD1 4.25Å; Q41-Y90 HydrophobicContact CB-CE1 3.98Å; Q41-Y90 HydrophobicContact CG-CD1 4.37Å; Q41-Y90 HydrophobicContact CG-CE1 3.79Å; Q41-Y90 PolarHBondContact NE2-OH 2.86Å
42	Q	98.3	Very high	96.1	Very high	61 Å²	61	56.6 Å²	56.6	29%	0.285	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	113.7	172.6	-167.7	178.5	13.9	0	0	110.5	Q46 P48 A88 T89 Y91	Q42-Q46 VanDerWaalsContact CG-O 3.29Å; Q42-Q46 WeakPolarHBondContact CG-O 3.11Å; Q42-Q46 PolarHBondContact NE2-O 2.88Å; Q42-P48 HydrophobicContact CB-CB 4.48Å; Q42-P48 HydrophobicContact CB-CG 4.35Å; Q42-P48 HydrophobicContact CG-CG 4.22Å; Q42-A88 WeakPolarHBondContact O-CA 3.43Å; Q42-A88 WeakPolarHBondContact O-CB 2.99Å; Q42-T89 PolarHBondContact N-O 3.47Å; Q42-T89 PolarHBondContact O-N 2.02Å; Q42-Y91 HydrophobicContact CB-CD2 4.36Å; Q42-Y91 HydrophobicContact CB-CE2 3.82Å; Q42-Y91 VanDerWaalsContact OE1-CE2 3.31Å; Q42-Y91 PolarHBondContact OE1-OH 2.86Å
43	K	97.3	Very high	96.5	Very high	52 Å²	52	53.1 Å²	53.1	23%	0.226	30%	0.3	C	S	.	.			trans	-84.4	153.6	171	-66	-173.6	177.9	-170.2	0	110.2	G45 Q46 E85 A88	K43-G45 PolarHBondContact O-N 2.71Å; K43-Q46 HydrophobicContact CB-CB 4.34Å; K43-Q46 HydrophobicContact CB-CG 4.38Å; K43-Q46 PolarHBondContact O-N 2.96Å; K43-E85 WeakPolarHBondContact CE-O 3.25Å; K43-E85 PolarHBondContact NZ-O 2.83Å; K43-A88 HydrophobicContact CG-CB 4.22Å
44	P	96.3	Very high	96.9	Very high	120 Å²	120	50.9 Å²	50.9	78%	0.779	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	126.5	176.8	-27.6	35.4	0	0	0	112.1	Q46	P44-Q46 VanDerWaalsContact C-N 3.26Å; P44-Q46 PolarHBondContact O-N 2.77Å
45	G	96.6	Very high	97.2	Very high	93 Å²	93	45 Å²	45	96%	0.959	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	4.2	179.4	0	0	0	0	0	116.1	K43	K43-G45 PolarHBondContact O-N 2.71Å
46	Q	96.9	Very high	97.3	Very high	80 Å²	80	47.5 Å²	47.5	37%	0.374	27%	0.273	S	S	.	.	S	Bend	trans	-110.9	153	177.7	-63.3	-174.5	31.9	0	0	111.3	Q42 K43 P44	Q42-Q46 VanDerWaalsContact CG-O 3.29Å; Q42-Q46 WeakPolarHBondContact CG-O 3.11Å; Q42-Q46 PolarHBondContact NE2-O 2.88Å; K43-Q46 HydrophobicContact CB-CB 4.34Å; K43-Q46 HydrophobicContact CB-CG 4.38Å; K43-Q46 PolarHBondContact O-N 2.96Å; P44-Q46 VanDerWaalsContact C-N 3.26Å; P44-Q46 PolarHBondContact O-N 2.77Å
47	P	96.8	Very high	97.3	Very high	94 Å²	94	49.2 Å²	49.2	61%	0.61	29%	0.285	S	S	*	.			trans	-66.5	154.7	169.1	29.4	-35	0	0	0	110.7	K49	P47-K49 PolarHBondContact O-N 2.65Å
48	P	97.2	Very high	97.3	Very high	69 Å²	69	52.4 Å²	52.4	45%	0.448	30%	0.302	S	S	.	.			trans	-57.2	135.9	170.9	-22.8	33.3	0	0	0	111.5	Y40 Q41 Q42	Y40-P48 HydrophobicContact CD1-CB 4.28Å; Q41-P48 WeakPolarHBondContact O-CA 3.31Å; Q42-P48 HydrophobicContact CB-CB 4.48Å; Q42-P48 HydrophobicContact CB-CG 4.35Å; Q42-P48 HydrophobicContact CG-CG 4.22Å
49	K	97.6	Very high	97.3	Very high	113 Å²	113	55 Å²	55	49%	0.491	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	136.1	174.9	-65.2	-176.6	-178.4	176.3	0	109.8	Y40 Q41 P47 L51	Y40-K49 CarbonylContact C-O 3.52Å; Y40-K49 WeakPolarHBondContact CA-O 3.1Å; Q41-K49 PolarHBondContact N-O 2.81Å; Q41-K49 PolarHBondContact O-N 2.83Å; P47-K49 PolarHBondContact O-N 2.65Å; K49-L51 PolarHBondContact O-N 3.38Å
50	L	97.9	Very high	97.3	Very high	35 Å²	35	60.4 Å²	60.4	18%	0.183	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	128.8	175.3	-178	65.5	0	0	0	109.9	H38 Y40 K53 E59 P99	H38-L50 HydrophobicContact CB-CD1 4.09Å; Y40-L50 HydrophobicContact CD1-CB 4.21Å; Y40-L50 HydrophobicContact CD1-CD1 4.39Å; Y40-L50 HydrophobicContact CE1-CB 3.93Å; Y40-L50 HydrophobicContact CE1-CD1 3.87Å; Y40-L50 HydrophobicContact CE2-CD1 4.16Å; L50-K53 HydrophobicContact CD2-CB 4.44Å; L50-E59 HydrophobicContact CD2-CG 4.14Å; L50-E59 WeakPolarHBondContact CD2-OE2 3.36Å; L50-E59 HydrophobicContact CG-CB 4.35Å; L50-E59 HydrophobicContact CG-CG 4.35Å; L50-P99 HydrophobicContact CD2-CB 4.17Å
51	L	98.2	Very high	97.2	Very high	9 Å²	9	62.6 Å²	62.6	5%	0.047	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-51.4	173.7	-66.9	-175.8	0	0	0	111.8	W39 Q41 K49 E59 V62 F66 Y90	W39-L51 WeakPolarHBondContact O-CB 3.34Å; W39-L51 PolarHBondContact O-N 3.48Å; Q41-L51 HydrophobicContact CB-CD1 3.73Å; Q41-L51 HydrophobicContact CB-CD2 3.97Å; Q41-L51 HydrophobicContact CB-CG 3.83Å; K49-L51 PolarHBondContact O-N 3.38Å; L51-E59 WeakPolarHBondContact O-CB 3.44Å; L51-E59 PolarHBondContact O-N 2.84Å; L51-V62 HydrophobicContact CB-CG1 4.48Å; L51-V62 HydrophobicContact CD2-CG1 3.86Å; L51-V62 HydrophobicContact CD2-CG2 4.02Å; L51-F66 HydrophobicContact CD1-CD1 3.78Å; L51-F66 HydrophobicContact CD1-CE1 3.65Å; L51-F66 HydrophobicContact CD1-CZ 4.46Å; L51-Y90 HydrophobicContact CD1-CD1 3.98Å; L51-Y90 HydrophobicContact CD1-CE1 3.71Å
52	I	98.1	Very high	97.2	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.005	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	131.2	-173	-56.4	-175.5	0	0	0	108.1	H38 W39 N57 L58 G68 L77	H38-I52 CarbonylContact C-O 3.52Å; H38-I52 VanDerWaalsContact CA-O 3.26Å; H38-I52 WeakPolarHBondContact CA-O 3.25Å; W39-I52 HydrophobicContact CB-CB 4.17Å; W39-I52 PolarHBondContact N-O 3.19Å; W39-I52 PolarHBondContact O-N 3.02Å; I52-N57 CarbonylContact C-O 3.59Å; I52-N57 WeakPolarHBondContact CA-O 3.34Å; I52-N57 WeakPolarHBondContact CG2-O 3.27Å; I52-L58 HydrophobicContact CD1-CD1 4.31Å; I52-L58 HydrophobicContact CG1-CD1 3.84Å; I52-G68 VanDerWaalsContact CD1-N 3.25Å; I52-L77 HydrophobicContact CD1-CD1 3.59Å; I52-L77 HydrophobicContact CG1-CD1 4.42Å
53	K	96.2	Very high	97.1	Very high	54 Å²	54	61.9 Å²	61.9	24%	0.235	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	158.9	169.3	62.4	-172.1	171.5	-148.2	0	111.2	H38 L50 A55 S56 N57 E59 P99	H38-K53 VanDerWaalsContact ND1-CA 3.33Å; H38-K53 WeakPolarHBondContact ND1-CA 3.38Å; H38-K53 WeakPolarHBondContact ND1-CB 3.37Å; L50-K53 HydrophobicContact CD2-CB 4.44Å; K53-A55 VanDerWaalsContact C-N 3.3Å; K53-A55 PolarHBondContact O-N 3.11Å; K53-S56 PolarHBondContact O-N 2.73Å; K53-N57 HydrophobicContact CG-CB 4Å; K53-N57 PolarHBondContact N-O 2.85Å; K53-N57 WeakPolarHBondContact O-CA 3.01Å; K53-N57 VanDerWaalsContact O-CB 3.27Å; K53-N57 WeakPolarHBondContact O-CB 3.5Å; K53-N57 PolarHBondContact O-N 3.3Å; K53-E59 WeakPolarHBondContact CE-OE2 3.48Å; K53-E59 IonicContact NZ-OE1 3.67Å; K53-E59 IonicContact NZ-OE2 2.74Å; K53-E59 PolarHBondContact NZ-OE2 3.35Å; K53-P99 HydrophobicContact CB-CG 4.44Å
54	Y	96.1	Very high	97.1	Very high	39 Å²	39	64.1 Å²	64.1	15%	0.153	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	42.6	177.3	-51.6	-56.9	0	0	0	114.9	Y34 S35 Y36 M37 H38 S56 I98	Y34-Y54 HydrophobicContact CD1-CD1 4.47Å; Y34-Y54 HydrophobicContact CD1-CG 4.49Å; S35-Y54 CarbonylContact O-C 3.5Å; S35-Y54 WeakPolarHBondContact O-CA 3.41Å; Y36-Y54 HydrophobicContact CD1-CE1 4.5Å; M37-Y54 PolarHBondContact O-N 3.24Å; M37-Y54 VanDerWaalsContact O-N 3.14Å; H38-Y54 AromaticContact CE1-CD1 4Å; H38-Y54 PolarHBondContact ND1-N 3.12Å; Y54-S56 PolarHBondContact O-N 3.45Å; Y54-I98 WeakPolarHBondContact OH-CG1 3.48Å
55	A	96.7	Very high	97.2	Very high	3 Å²	3	59.8 Å²	59.8	3%	0.025	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.2	-33.5	-174.2	0	0	0	0	0	116.6	S35 M37 K53 G68 S69 F75	S35-A55 PolarHBondContact O-N 3.46Å; M37-A55 HydrophobicContact CB-CB 4.34Å; M37-A55 PolarHBondContact O-N 3.14Å; K53-A55 VanDerWaalsContact C-N 3.3Å; K53-A55 PolarHBondContact O-N 3.11Å; A55-G68 CarbonylContact O-C 3.56Å; A55-G68 WeakPolarHBondContact O-CA 3.3Å; A55-S69 PolarHBondContact O-N 2.79Å; A55-F75 HydrophobicContact CB-CD1 3.79Å; A55-F75 HydrophobicContact CB-CE1 3.93Å
56	S	97	Very high	97.3	Very high	71 Å²	71	55.8 Å²	55.8	50%	0.497	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.2	-11.3	-171.9	57.1	0	0	0	0	115.8	K53 Y54 L58 G68	K53-S56 PolarHBondContact O-N 2.73Å; Y54-S56 PolarHBondContact O-N 3.45Å; S56-L58 PolarHBondContact O-N 2.78Å; S56-G68 WeakPolarHBondContact CA-O 3.49Å; S56-G68 VanDerWaalsContact CB-O 3.31Å; S56-G68 WeakPolarHBondContact CB-O 3.39Å
57	N	96.6	Very high	97.4	Very high	81 Å²	81	54.8 Å²	54.8	43%	0.433	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	110.2	-174.8	-63	13.6	0	0	0	110.1	I52 K53	I52-N57 CarbonylContact C-O 3.59Å; I52-N57 WeakPolarHBondContact CA-O 3.34Å; I52-N57 WeakPolarHBondContact CG2-O 3.27Å; K53-N57 HydrophobicContact CG-CB 4Å; K53-N57 PolarHBondContact N-O 2.85Å; K53-N57 WeakPolarHBondContact O-CA 3.01Å; K53-N57 VanDerWaalsContact O-CB 3.27Å; K53-N57 WeakPolarHBondContact O-CB 3.5Å; K53-N57 PolarHBondContact O-N 3.3Å
58	L	97.8	Very high	97.5	Very high	68 Å²	68	50.9 Å²	50.9	36%	0.356	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	135.2	178.9	-161.6	65.3	0	0	0	111.2	I52 S56 V62 F66	I52-L58 HydrophobicContact CD1-CD1 4.31Å; I52-L58 HydrophobicContact CG1-CD1 3.84Å; S56-L58 PolarHBondContact O-N 2.78Å; L58-V62 HydrophobicContact CD1-CB 3.78Å; L58-V62 HydrophobicContact CD1-CG1 3.48Å; L58-V62 VanDerWaalsContact CD1-CG1 3.48Å; L58-V62 HydrophobicContact CD2-CB 4.37Å; L58-V62 WeakPolarHBondContact CD2-O 3.26Å; L58-V62 HydrophobicContact CG-CB 3.86Å; L58-V62 HydrophobicContact CG-CG1 4.12Å; L58-F66 HydrophobicContact CD1-CB 3.86Å
59	E	97.6	Very high	97.4	Very high	55 Å²	55	50.1 Å²	50.1	26%	0.257	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-75.1	153.1	175.5	-167.2	50.6	-111.4	0	0	111.1	L50 L51 K53 G61 V62	L50-E59 HydrophobicContact CD2-CG 4.14Å; L50-E59 WeakPolarHBondContact CD2-OE2 3.36Å; L50-E59 HydrophobicContact CG-CB 4.35Å; L50-E59 HydrophobicContact CG-CG 4.35Å; L51-E59 WeakPolarHBondContact O-CB 3.44Å; L51-E59 PolarHBondContact O-N 2.84Å; K53-E59 WeakPolarHBondContact CE-OE2 3.48Å; K53-E59 IonicContact NZ-OE1 3.67Å; K53-E59 IonicContact NZ-OE2 2.74Å; K53-E59 PolarHBondContact NZ-OE2 3.35Å; E59-G61 PolarHBondContact O-N 3.31Å; E59-V62 HydrophobicContact CB-CG2 4.03Å; E59-V62 WeakPolarHBondContact O-CB 3.33Å; E59-V62 WeakPolarHBondContact O-CG2 3.44Å; E59-V62 PolarHBondContact O-N 3.45Å
60	S	96.8	Very high	97.4	Very high	113 Å²	113	46.4 Å²	46.4	79%	0.79	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	132.2	-177.7	-170.8	0	0	0	0	111.7	V62	S60-V62 VanDerWaalsContact C-N 3.33Å
61	G	96.6	Very high	97.3	Very high	80 Å²	80	48.6 Å²	48.6	83%	0.825	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	-3.6	-179.9	0	0	0	0	0	115.2	E59	E59-G61 PolarHBondContact O-N 3.31Å
62	V	97.7	Very high	97.3	Very high	23 Å²	23	49.1 Å²	49.1	14%	0.139	33%	0.334	C	S	.	.			trans	-79.1	134.9	173.5	-177.3	0	0	0	0	109.6	L51 L58 E59 S60 F66	L51-V62 HydrophobicContact CB-CG1 4.48Å; L51-V62 HydrophobicContact CD2-CG1 3.86Å; L51-V62 HydrophobicContact CD2-CG2 4.02Å; L58-V62 HydrophobicContact CD1-CB 3.78Å; L58-V62 HydrophobicContact CD1-CG1 3.48Å; L58-V62 VanDerWaalsContact CD1-CG1 3.48Å; L58-V62 HydrophobicContact CD2-CB 4.37Å; L58-V62 WeakPolarHBondContact CD2-O 3.26Å; L58-V62 HydrophobicContact CG-CB 3.86Å; L58-V62 HydrophobicContact CG-CG1 4.12Å; E59-V62 HydrophobicContact CB-CG2 4.03Å; E59-V62 WeakPolarHBondContact O-CB 3.33Å; E59-V62 WeakPolarHBondContact O-CG2 3.44Å; E59-V62 PolarHBondContact O-N 3.45Å; S60-V62 VanDerWaalsContact C-N 3.33Å; V62-F66 HydrophobicContact CG1-CB 4.02Å; V62-F66 HydrophobicContact CG1-CD2 3.79Å; V62-F66 HydrophobicContact CG1-CE2 4.49Å; V62-F66 HydrophobicContact CG1-CG 3.96Å
63	P	97.9	Very high	97.2	Very high	46 Å²	46	51.1 Å²	51.1	30%	0.299	35%	0.347	S	S	.	.			trans	-59.3	140.9	179.3	-27.8	37.1	0	0	0	113.4	R65 F66	P63-R65 HydrophobicContact CB-CG 3.74Å; P63-R65 PolarHBondContact O-N 2.78Å; P63-F66 HydrophobicContact CB-CD2 4.17Å; P63-F66 HydrophobicContact CB-CE2 4.42Å; P63-F66 HydrophobicContact CG-CD2 4.46Å; P63-F66 HydrophobicContact CG-CE2 4.34Å; P63-F66 WeakPolarHBondContact O-CD2 3.49Å; P63-F66 PolarHBondContact O-N 2.84Å
64	A	97.5	Very high	97.3	Very high	99 Å²	99	52.4 Å²	52.4	82%	0.818	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-10.1	-179	0	0	0	0	0	114.7	F66	A64-F66 PolarHBondContact O-N 3.19Å
65	R	98	Very high	97.5	Very high	30 Å²	30	50.7 Å²	50.7	11%	0.113	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-19.6	171.8	58.3	160.6	-172.2	-74.6	-7.7	113.5	P63 H80 P81 E83 E85 D86	P63-R65 HydrophobicContact CB-CG 3.74Å; P63-R65 PolarHBondContact O-N 2.78Å; R65-H80 WeakPolarHBondContact CA-O 3.27Å; R65-H80 VanDerWaalsContact CB-O 3.22Å; R65-H80 WeakPolarHBondContact CB-O 3.19Å; R65-H80 PolarHBondContact O-N 3.31Å; R65-P81 WeakPolarHBondContact CD-O 3.42Å; R65-E83 VanDerWaalsContact CZ-CD 3.45Å; R65-E83 IonicContact CZ-OE1 3.52Å; R65-E83 IonicContact CZ-OE2 3.44Å; R65-E83 IonicContact NE-OE1 3.76Å; R65-E83 IonicContact NH1-OE1 2.86Å; R65-E83 PolarHBondContact NH1-OE1 2.93Å; R65-E83 IonicContact NH1-OE2 2.93Å; R65-E83 PolarHBondContact NH1-OE2 2.86Å; R65-E83 IonicContact NH2-OE2 3.63Å; R65-E85 IonicContact CZ-OE1 3.52Å; R65-E85 IonicContact NH1-OE1 3.47Å; R65-E85 PolarHBondContact NH1-OE1 3.05Å; R65-E85 IonicContact NH2-OE1 2.73Å; R65-E85 PolarHBondContact NH2-OE1 2.81Å; R65-D86 IonicContact CZ-OD1 3.49Å; R65-D86 IonicContact CZ-OD2 3.73Å; R65-D86 IonicContact NE-OD1 3.37Å; R65-D86 PolarHBondContact NE-OD1 2.79Å; R65-D86 IonicContact NE-OD2 3.02Å; R65-D86 PolarHBondContact NE-OD2 3.45Å; R65-D86 IonicContact NH2-OD1 2.69Å; R65-D86 PolarHBondContact NH2-OD1 3.43Å; R65-D86 IonicContact NH2-OD2 3.79Å
66	F	98.6	Very high	97.5	Very high	8 Å²	8	52.2 Å²	52.2	4%	0.035	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	135.8	172.4	-71.6	-93.3	0	0	0	110	L51 L58 V62 P63 A64 L77 N78 I79 D86 Y90	L51-F66 HydrophobicContact CD1-CD1 3.78Å; L51-F66 HydrophobicContact CD1-CE1 3.65Å; L51-F66 HydrophobicContact CD1-CZ 4.46Å; L58-F66 HydrophobicContact CD1-CB 3.86Å; V62-F66 HydrophobicContact CG1-CB 4.02Å; V62-F66 HydrophobicContact CG1-CD2 3.79Å; V62-F66 HydrophobicContact CG1-CE2 4.49Å; V62-F66 HydrophobicContact CG1-CG 3.96Å; P63-F66 HydrophobicContact CB-CD2 4.17Å; P63-F66 HydrophobicContact CB-CE2 4.42Å; P63-F66 HydrophobicContact CG-CD2 4.46Å; P63-F66 HydrophobicContact CG-CE2 4.34Å; P63-F66 WeakPolarHBondContact O-CD2 3.49Å; P63-F66 PolarHBondContact O-N 2.84Å; A64-F66 PolarHBondContact O-N 3.19Å; F66-L77 HydrophobicContact CD1-CD1 4.35Å; F66-N78 WeakPolarHBondContact CA-O 3.07Å; F66-I79 HydrophobicContact CD1-CD1 4.16Å; F66-I79 HydrophobicContact CD1-CG1 3.74Å; F66-I79 HydrophobicContact CD1-CG2 4.4Å; F66-I79 HydrophobicContact CE1-CB 4.46Å; F66-I79 HydrophobicContact CE1-CD1 3.52Å; F66-I79 HydrophobicContact CE1-CG1 3.61Å; F66-I79 HydrophobicContact CE1-CG2 4.08Å; F66-I79 HydrophobicContact CE2-CG2 4.48Å; F66-I79 HydrophobicContact CZ-CD1 4.25Å; F66-I79 HydrophobicContact CZ-CG1 4.46Å; F66-I79 HydrophobicContact CZ-CG2 4.13Å; F66-D86 VanDerWaalsContact CZ-OD1 3.25Å; F66-D86 WeakPolarHBondContact CZ-OD1 3.4Å; F66-Y90 AromaticContact CE1-CE1 3.93Å; F66-Y90 HydrophobicContact CE1-CE1 3.93Å
67	S	98.3	Very high	97.6	Very high	60 Å²	60	48.9 Å²	48.9	42%	0.42	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	146.4	173.3	54	0	0	0	0	110.7	N78	S67-N78 PolarHBondContact N-O 2.92Å; S67-N78 PolarHBondContact O-N 3.3Å; S67-N78 WeakPolarHBondContact OG-CB 3.47Å
68	G	98.2	Very high	97.7	Very high	11 Å²	11	46.4 Å²	46.4	11%	0.113	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	147.8	178.9	0	0	0	0	0	109.7	I52 A55 S56 T76	I52-G68 VanDerWaalsContact CD1-N 3.25Å; A55-G68 CarbonylContact O-C 3.56Å; A55-G68 WeakPolarHBondContact O-CA 3.3Å; S56-G68 WeakPolarHBondContact CA-O 3.49Å; S56-G68 VanDerWaalsContact CB-O 3.31Å; S56-G68 WeakPolarHBondContact CB-O 3.39Å; G68-T76 WeakPolarHBondContact CA-O 3.36Å
69	S	97.2	Very high	97.7	Very high	53 Å²	53	43.4 Å²	43.4	37%	0.371	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	165.4	176.6	51.6	0	0	0	0	111	A55 F75 T76	A55-S69 PolarHBondContact O-N 2.79Å; S69-F75 CarbonylContact O-C 3.01Å; S69-F75 VanDerWaalsContact O-CA 3.31Å; S69-F75 WeakPolarHBondContact O-CA 3.36Å; S69-T76 PolarHBondContact N-O 2.81Å; S69-T76 PolarHBondContact O-N 2.87Å; S69-T76 PolarHBondContact OG-OG1 3.43Å
70	G	96.5	Very high	97.8	Very high	36 Å²	36	45.1 Å²	45.1	37%	0.371	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	123.1	164.2	176.9	0	0	0	0	0	113.1	D74	G70-D74 CarbonylContact C-O 3.51Å; G70-D74 WeakPolarHBondContact CA-O 3.21Å
71	S	96.2	Very high	97.8	Very high	81 Å²	81	42.4 Å²	42.4	57%	0.566	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-159.7	162.2	176.9	66.3	0	0	0	0	109.6	T73 D74	S71-T73 PolarHBondContact O-N 2.84Å; S71-D74 PolarHBondContact N-O 3.01Å; S71-D74 PolarHBondContact O-N 3.46Å
72	G	96.8	Very high	97.9	Very high	19 Å²	19	39.5 Å²	39.5	20%	0.196	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.5	-104.7	-177.5	0	0	0	0	0	110.8	S28 V29 S30 F75	S28-G72 WeakPolarHBondContact CA-O 3.33Å; S28-G72 WeakPolarHBondContact OG-CA 3.42Å; V29-G72 PolarHBondContact N-O 3.37Å; S30-G72 PolarHBondContact OG-N 2.95Å; G72-F75 WeakPolarHBondContact O-CE2 3.16Å; G72-F75 WeakPolarHBondContact O-CZ 3.15Å
73	T	97.8	Very high	98	Very high	44 Å²	44	42.1 Å²	42.1	27%	0.27	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-19.4	-175.3	46.2	0	0	0	0	114.3	R24 A25 S71	R24-T73 CarbonylContact C-O 3.59Å; R24-T73 VanDerWaalsContact CA-O 3.26Å; R24-T73 WeakPolarHBondContact CA-O 3.49Å; A25-T73 PolarHBondContact N-O 2.79Å; S71-T73 PolarHBondContact O-N 2.84Å
74	D	98.3	Very high	97.9	Very high	81 Å²	81	47.6 Å²	47.6	43%	0.433	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	125.5	-166.5	-63.4	-87.5	0	0	0	111	R24 G70 S71	R24-D74 IonicContact NE-OD1 3.98Å; G70-D74 CarbonylContact C-O 3.51Å; G70-D74 WeakPolarHBondContact CA-O 3.21Å; S71-D74 PolarHBondContact N-O 3.01Å; S71-D74 PolarHBondContact O-N 3.46Å
75	F	98.5	Very high	97.8	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.009	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	152.1	-174.1	-56.4	-86.2	0	0	0	110.9	S22 C23 V29 M37 W39 A55 S69 G72	S22-F75 CarbonylContact C-O 3.54Å; S22-F75 WeakPolarHBondContact CA-O 3.4Å; C23-F75 HydrophobicContact CB-CB 4.36Å; C23-F75 PolarHBondContact N-O 2.87Å; C23-F75 PolarHBondContact O-N 3.41Å; V29-F75 HydrophobicContact CG2-CE2 3.43Å; V29-F75 VanDerWaalsContact CG2-CE2 3.43Å; V29-F75 HydrophobicContact CG2-CZ 3.48Å; V29-F75 VanDerWaalsContact CG2-CZ 3.48Å; M37-F75 HydrophobicContact CB-CD1 3.61Å; M37-F75 HydrophobicContact CB-CD2 4.23Å; M37-F75 HydrophobicContact CB-CE1 3.68Å; M37-F75 HydrophobicContact CB-CE2 4.28Å; M37-F75 HydrophobicContact CB-CG 3.9Å; M37-F75 HydrophobicContact CB-CZ 4.02Å; M37-F75 HydrophobicContact CE-CD2 3.42Å; M37-F75 VanDerWaalsContact CE-CD2 3.42Å; M37-F75 HydrophobicContact CE-CE2 3.68Å; M37-F75 HydrophobicContact CE-CG 4.06Å; M37-F75 HydrophobicContact CE-CZ 4.49Å; M37-F75 HydrophobicContact CG-CB 3.97Å; M37-F75 HydrophobicContact CG-CD1 3.82Å; M37-F75 HydrophobicContact CG-CD2 4Å; M37-F75 HydrophobicContact CG-CE1 4.35Å; M37-F75 HydrophobicContact CG-CG 3.63Å; W39-F75 HydrophobicContact CZ2-CB 4.32Å; A55-F75 HydrophobicContact CB-CD1 3.79Å; A55-F75 HydrophobicContact CB-CE1 3.93Å; S69-F75 CarbonylContact O-C 3.01Å; S69-F75 VanDerWaalsContact O-CA 3.31Å; S69-F75 WeakPolarHBondContact O-CA 3.36Å; G72-F75 WeakPolarHBondContact O-CE2 3.16Å; G72-F75 WeakPolarHBondContact O-CZ 3.15Å
76	T	98.5	Very high	97.8	Very high	35 Å²	35	46.4 Å²	46.4	22%	0.215	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	139.4	177.1	58.2	0	0	0	0	111.1	T20 I21 G68 S69	T20-T76 HydrophobicContact CG2-CG2 4.49Å; I21-T76 CarbonylContact O-C 3.55Å; I21-T76 VanDerWaalsContact O-CA 3.25Å; I21-T76 WeakPolarHBondContact O-CA 3.23Å; G68-T76 WeakPolarHBondContact CA-O 3.36Å; S69-T76 PolarHBondContact N-O 2.81Å; S69-T76 PolarHBondContact O-N 2.87Å; S69-T76 PolarHBondContact OG-OG1 3.43Å
77	L	98.7	Very high	97.7	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	131.2	163.2	178.7	66.3	0	0	0	108.5	T20 I21 W39 I52 F66 I79 Y90	T20-L77 CarbonylContact C-O 3.54Å; T20-L77 WeakPolarHBondContact CA-O 3.42Å; I21-L77 HydrophobicContact CB-CB 4.43Å; I21-L77 HydrophobicContact CD1-CD2 4.48Å; I21-L77 PolarHBondContact N-O 2.9Å; I21-L77 PolarHBondContact O-N 2.78Å; W39-L77 HydrophobicContact CB-CD1 4.3Å; W39-L77 HydrophobicContact CB-CD2 4.5Å; W39-L77 HydrophobicContact CD2-CB 3.61Å; W39-L77 HydrophobicContact CD2-CD1 4.42Å; W39-L77 HydrophobicContact CD2-CD2 4.19Å; W39-L77 HydrophobicContact CD2-CG 4.3Å; W39-L77 HydrophobicContact CE3-CB 3.71Å; W39-L77 HydrophobicContact CE3-CD2 3.85Å; W39-L77 HydrophobicContact CE3-CG 4.34Å; W39-L77 HydrophobicContact CG-CB 4.2Å; W39-L77 HydrophobicContact CG-CD1 4.14Å; W39-L77 HydrophobicContact CG-CD2 4.48Å; W39-L77 HydrophobicContact CH2-CB 3.86Å; W39-L77 HydrophobicContact CZ2-CB 3.79Å; W39-L77 VanDerWaalsContact CZ2-N 3.32Å; W39-L77 HydrophobicContact CZ3-CB 3.83Å; W39-L77 HydrophobicContact CZ3-CD2 4.38Å; I52-L77 HydrophobicContact CD1-CD1 3.59Å; I52-L77 HydrophobicContact CG1-CD1 4.42Å; F66-L77 HydrophobicContact CD1-CD1 4.35Å; L77-I79 HydrophobicContact CG-CG1 4.5Å; L77-Y90 HydrophobicContact CD2-CD1 3.55Å; L77-Y90 HydrophobicContact CD2-CE1 4.15Å; L77-Y90 HydrophobicContact CD2-CG 4.16Å
78	N	98.4	Very high	97.7	Very high	29 Å²	29	49.8 Å²	49.8	16%	0.155	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	135.3	175.6	-64.4	-74.3	0	0	0	109.7	A19 T20 F66 S67	A19-N78 WeakPolarHBondContact O-CA 3.16Å; T20-N78 WeakPolarHBondContact CG2-OD1 3.41Å; T20-N78 PolarHBondContact OG1-OD1 2.82Å; F66-N78 WeakPolarHBondContact CA-O 3.07Å; S67-N78 PolarHBondContact N-O 2.92Å; S67-N78 PolarHBondContact O-N 3.3Å; S67-N78 WeakPolarHBondContact OG-CB 3.47Å
79	I	98.5	Very high	97.7	Very high	6 Å²	6	52.9 Å²	52.9	3%	0.031	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	116.4	175.1	-46.6	175.1	0	0	0	106.9	R18 A19 F66 L77 V82 D86 Y90	R18-I79 WeakPolarHBondContact CA-O 3.28Å; A19-I79 HydrophobicContact CB-CB 4.37Å; A19-I79 PolarHBondContact N-O 2.84Å; A19-I79 PolarHBondContact O-N 2.93Å; F66-I79 HydrophobicContact CD1-CD1 4.16Å; F66-I79 HydrophobicContact CD1-CG1 3.74Å; F66-I79 HydrophobicContact CD1-CG2 4.4Å; F66-I79 HydrophobicContact CE1-CB 4.46Å; F66-I79 HydrophobicContact CE1-CD1 3.52Å; F66-I79 HydrophobicContact CE1-CG1 3.61Å; F66-I79 HydrophobicContact CE1-CG2 4.08Å; F66-I79 HydrophobicContact CE2-CG2 4.48Å; F66-I79 HydrophobicContact CZ-CD1 4.25Å; F66-I79 HydrophobicContact CZ-CG1 4.46Å; F66-I79 HydrophobicContact CZ-CG2 4.13Å; L77-I79 HydrophobicContact CG-CG1 4.5Å; I79-V82 HydrophobicContact CB-CG2 4.28Å; I79-V82 HydrophobicContact CG2-CG2 4.22Å; I79-D86 WeakPolarHBondContact CG2-OD2 3.42Å; I79-Y90 HydrophobicContact CD1-CE1 3.89Å; I79-Y90 HydrophobicContact CD1-CE2 4.21Å
80	H	98.1	Very high	97.8	Very high	91 Å²	91	51.4 Å²	51.4	42%	0.421	30%	0.296	S	S	.	.	S	Bend	trans	-155.6	123.4	176.8	-178.6	58.9	0	0	0	112.3	G16 R18 R65	G16-H80 PolarHBondContact O-CE1 3.47Å; G16-H80 PolarHBondContact O-ND1 2.83Å; R18-H80 HydrophobicContact CB-CB 4.16Å; R18-H80 HydrophobicContact CG-CB 4.18Å; R65-H80 WeakPolarHBondContact CA-O 3.27Å; R65-H80 VanDerWaalsContact CB-O 3.22Å; R65-H80 WeakPolarHBondContact CB-O 3.19Å; R65-H80 PolarHBondContact O-N 3.31Å
81	P	98.4	Very high	97.8	Very high	55 Å²	55	54.4 Å²	54.4	36%	0.357	30%	0.297	S	S	.	.	S	Bend	cis	-72.6	146.8	-4.1	29.2	-34.2	0	0	0	112.8	R65	R65-P81 WeakPolarHBondContact CD-O 3.42Å
82	V	98.4	Very high	97.9	Very high	19 Å²	19	51.1 Å²	51.1	12%	0.115	27%	0.274	C	S	.	.			trans	-68.9	132.7	168.3	170.5	0	0	0	0	110.2	V13 L15 G16 Q17 A19 I79 D86	V13-V82 HydrophobicContact CG1-CG2 4.19Å; L15-V82 WeakPolarHBondContact CA-O 3.46Å; G16-V82 PolarHBondContact N-O 3.01Å; Q17-V82 WeakPolarHBondContact O-CG2 3.42Å; Q17-V82 PolarHBondContact O-N 3.31Å; A19-V82 HydrophobicContact CB-CG2 3.64Å; I79-V82 HydrophobicContact CB-CG2 4.28Å; I79-V82 HydrophobicContact CG2-CG2 4.22Å; V82-D86 HydrophobicContact CG1-CB 4.45Å
83	E	98.1	Very high	97.9	Very high	79 Å²	79	54.7 Å²	54.7	37%	0.369	29%	0.286	S	S	.	.			trans	-115.6	164.8	176	-68	174.5	-149.2	0	0	111.6	R65 E85 D86	R65-E83 VanDerWaalsContact CZ-CD 3.45Å; R65-E83 IonicContact CZ-OE1 3.52Å; R65-E83 IonicContact CZ-OE2 3.44Å; R65-E83 IonicContact NE-OE1 3.76Å; R65-E83 IonicContact NH1-OE1 2.86Å; R65-E83 PolarHBondContact NH1-OE1 2.93Å; R65-E83 IonicContact NH1-OE2 2.93Å; R65-E83 PolarHBondContact NH1-OE2 2.86Å; R65-E83 IonicContact NH2-OE2 3.63Å; E83-E85 HydrophobicContact CB-CG 4.27Å; E83-E85 PolarHBondContact O-N 2.9Å; E83-D86 PolarHBondContact N-OD2 2.8Å; E83-D86 WeakPolarHBondContact O-CB 3.44Å; E83-D86 PolarHBondContact O-N 3.27Å
84	E	96.4	Very high	97.8	Very high	161 Å²	161	55 Å²	55	75%	0.752	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-58.2	-36.9	-177.3	-174.7	176	-178.7	0	0	112.2	L15 D86 T87	L15-E84 HydrophobicContact CD2-CB 4.44Å; E84-D86 PolarHBondContact O-N 3.22Å; E84-T87 PolarHBondContact O-N 2.88Å; E84-T87 PolarHBondContact O-OG1 2.98Å; E84-T87 VanDerWaalsContact O-OG1 3.11Å
85	E	96.1	Very high	97.5	Very high	94 Å²	94	52.7 Å²	52.7	44%	0.439	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-69.8	-9.1	179.8	65.6	169.2	-171.7	0	0	114.8	K43 R65 E83 T87	K43-E85 WeakPolarHBondContact CE-O 3.25Å; K43-E85 PolarHBondContact NZ-O 2.83Å; R65-E85 IonicContact CZ-OE1 3.52Å; R65-E85 IonicContact NH1-OE1 3.47Å; R65-E85 PolarHBondContact NH1-OE1 3.05Å; R65-E85 IonicContact NH2-OE1 2.73Å; R65-E85 PolarHBondContact NH2-OE1 2.81Å; E83-E85 HydrophobicContact CB-CG 4.27Å; E83-E85 PolarHBondContact O-N 2.9Å; E85-T87 PolarHBondContact O-N 2.81Å
86	D	97.3	Very high	97	Very high	10 Å²	10	59.1 Å²	59.1	5%	0.053	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-83.3	-1.4	179.5	-61.6	-30.1	0	0	0	112.5	R65 F66 I79 V82 E83 E84 A88 Y90	R65-D86 IonicContact CZ-OD1 3.49Å; R65-D86 IonicContact CZ-OD2 3.73Å; R65-D86 IonicContact NE-OD1 3.37Å; R65-D86 PolarHBondContact NE-OD1 2.79Å; R65-D86 IonicContact NE-OD2 3.02Å; R65-D86 PolarHBondContact NE-OD2 3.45Å; R65-D86 IonicContact NH2-OD1 2.69Å; R65-D86 PolarHBondContact NH2-OD1 3.43Å; R65-D86 IonicContact NH2-OD2 3.79Å; F66-D86 VanDerWaalsContact CZ-OD1 3.25Å; F66-D86 WeakPolarHBondContact CZ-OD1 3.4Å; I79-D86 WeakPolarHBondContact CG2-OD2 3.42Å; V82-D86 HydrophobicContact CG1-CB 4.45Å; E83-D86 PolarHBondContact N-OD2 2.8Å; E83-D86 WeakPolarHBondContact O-CB 3.44Å; E83-D86 PolarHBondContact O-N 3.27Å; E84-D86 PolarHBondContact O-N 3.22Å; D86-A88 PolarHBondContact O-N 3.31Å; D86-Y90 WeakPolarHBondContact O-CE2 3.42Å; D86-Y90 PolarHBondContact O-OH 3.18Å
87	T	97.4	Very high	96.2	Very high	110 Å²	110	64.8 Å²	64.8	68%	0.675	32%	0.322	S	S	*	.			trans	-66.5	102.5	173.7	-55.4	0	0	0	0	110.3	E84 E85	E84-T87 PolarHBondContact O-N 2.88Å; E84-T87 PolarHBondContact O-OG1 2.98Å; E84-T87 VanDerWaalsContact O-OG1 3.11Å; E85-T87 PolarHBondContact O-N 2.81Å
88	A	98	Very high	95	Very high	29 Å²	29	71 Å²	71	24%	0.24	35%	0.354	C	S	.	.	S	Bend	trans	-161.7	169	-174.9	0	0	0	0	0	111	Q41 Q42 K43 D86 Y90	Q41-A88 HydrophobicContact CG-CB 3.36Å; Q42-A88 WeakPolarHBondContact O-CA 3.43Å; Q42-A88 WeakPolarHBondContact O-CB 2.99Å; K43-A88 HydrophobicContact CG-CB 4.22Å; D86-A88 PolarHBondContact O-N 3.31Å; A88-Y90 HydrophobicContact CB-CD2 4.48Å; A88-Y90 HydrophobicContact CB-CE2 3.9Å
89	T	98.2	Very high	93.8	Very high	75 Å²	75	73.6 Å²	73.6	46%	0.46	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	134.5	161.6	-48.4	0	0	0	0	109.2	Q42 Y91	Q42-T89 PolarHBondContact N-O 3.47Å; Q42-T89 PolarHBondContact O-N 2.02Å; T89-Y91 HydrophobicContact CG2-CD2 4.42Å; T89-Y91 HydrophobicContact CG2-CE1 3.87Å; T89-Y91 HydrophobicContact CG2-CE2 3.61Å; T89-Y91 VanDerWaalsContact CG2-OH 3.23Å; T89-Y91 WeakPolarHBondContact CG2-OH 3.41Å
90	Y	98.4	Very high	93.5	Very high	23 Å²	23	77 Å²	77	9%	0.09	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	133.5	-178.4	-67.1	-92.7	0	0	0	110.2	Q6 I21 Y40 Q41 L51 F66 L77 I79 D86 A88	Q6-Y90 PolarHBondContact NE2-O 2.92Å; I21-Y90 HydrophobicContact CD1-CD2 3.81Å; I21-Y90 HydrophobicContact CD1-CG 3.8Å; Y40-Y90 VanDerWaalsContact O-CA 3.3Å; Y40-Y90 WeakPolarHBondContact O-CA 3.26Å; Q41-Y90 HydrophobicContact CB-CD1 4.25Å; Q41-Y90 HydrophobicContact CB-CE1 3.98Å; Q41-Y90 HydrophobicContact CG-CD1 4.37Å; Q41-Y90 HydrophobicContact CG-CE1 3.79Å; Q41-Y90 PolarHBondContact NE2-OH 2.86Å; L51-Y90 HydrophobicContact CD1-CD1 3.98Å; L51-Y90 HydrophobicContact CD1-CE1 3.71Å; F66-Y90 AromaticContact CE1-CE1 3.93Å; F66-Y90 HydrophobicContact CE1-CE1 3.93Å; L77-Y90 HydrophobicContact CD2-CD1 3.55Å; L77-Y90 HydrophobicContact CD2-CE1 4.15Å; L77-Y90 HydrophobicContact CD2-CG 4.16Å; I79-Y90 HydrophobicContact CD1-CE1 3.89Å; I79-Y90 HydrophobicContact CD1-CE2 4.21Å; D86-Y90 WeakPolarHBondContact O-CE2 3.42Å; D86-Y90 PolarHBondContact O-OH 3.18Å; A88-Y90 HydrophobicContact CB-CD2 4.48Å; A88-Y90 HydrophobicContact CB-CE2 3.9Å
91	Y	97.9	Very high	93.3	Very high	98 Å²	98	76.3 Å²	76.3	38%	0.384	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	138	-177.7	-57.8	-84.5	0	0	0	110.5	W39 Y40 Q42 T89	W39-Y91 CarbonylContact C-O 3.57Å; W39-Y91 WeakPolarHBondContact CA-O 3.46Å; Y40-Y91 PolarHBondContact N-O 3.34Å; Y40-Y91 PolarHBondContact O-N 3.44Å; Q42-Y91 HydrophobicContact CB-CD2 4.36Å; Q42-Y91 HydrophobicContact CB-CE2 3.82Å; Q42-Y91 VanDerWaalsContact OE1-CE2 3.31Å; Q42-Y91 PolarHBondContact OE1-OH 2.86Å; T89-Y91 HydrophobicContact CG2-CD2 4.42Å; T89-Y91 HydrophobicContact CG2-CE1 3.87Å; T89-Y91 HydrophobicContact CG2-CE2 3.61Å; T89-Y91 VanDerWaalsContact CG2-OH 3.23Å; T89-Y91 WeakPolarHBondContact CG2-OH 3.41Å
92	C	97.8	Very high	93	Very high	13 Å²	13	77.4 Å²	77.4	9%	0.088	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	145.1	162.3	67.3	0	0	0	0	110.2	L4 Q6 C23 M37 H38 W39	L4-C92 WeakPolarHBondContact CD1-O 3Å; Q6-C92 HydrophobicContact CG-CB 4.46Å; Q6-C92 WeakPolarHBondContact CG-SG 3.41Å; Q6-C92 PolarHBondContact OE1-SG 3.12Å; C23-C92 HydrophobicContact CB-CB 3.45Å; C23-C92 VanDerWaalsContact CB-CB 3.45Å; C23-C92 WeakPolarHBondContact CB-SG 3.23Å; C23-C92 WeakPolarHBondContact SG-CB 3.37Å; C23-C92 CovalentContact SG-SG 2.02Å; C23-C92 PolarHBondContact SG-SG 3.37Å; M37-C92 HydrophobicContact SD-CB 3.68Å; H38-C92 CarbonylContact O-C 3.13Å; H38-C92 VanDerWaalsContact O-CA 3.27Å; H38-C92 WeakPolarHBondContact O-CA 3.31Å; W39-C92 HydrophobicContact CD2-CB 4.3Å; W39-C92 HydrophobicContact CE3-CB 3.99Å; W39-C92 HydrophobicContact CH2-CB 4.09Å; W39-C92 HydrophobicContact CZ2-CB 4.36Å; W39-C92 HydrophobicContact CZ3-CB 3.89Å
93	Q	96.9	Very high	92.7	Very high	94 Å²	94	80.9 Å²	80.9	44%	0.439	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	143.2	175.2	-173.8	-172.2	4.8	0	0	109	H38 Y40	H38-Q93 PolarHBondContact N-O 3.2Å; H38-Q93 PolarHBondContact O-N 3.36Å; Y40-Q93 HydrophobicContact CD2-CB 4.34Å; Y40-Q93 HydrophobicContact CE2-CB 3.89Å; Y40-Q93 PolarHBondContact OH-OE1 3.44Å
94	H	95.1	Very high	92.3	Very high	50 Å²	50	81 Å²	81	23%	0.231	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	142.6	168	76.1	85.5	0	0	0	110.7	I2 V29 Y36	I2-H94 WeakPolarHBondContact CB-NE2 3.21Å; V29-H94 HydrophobicContact CB-CB 4.23Å; V29-H94 HydrophobicContact CG1-CB 3.8Å; V29-H94 HydrophobicContact CG2-CB 4.48Å; Y36-H94 WeakPolarHBondContact O-CA 3.43Å; Y36-H94 WeakPolarHBondContact O-CB 3.37Å
95	S	92.9	Very high	92.1	Very high	32 Å²	32	75.7 Å²	75.7	22%	0.224	39%	0.386	C	S	.	.			trans	-153.9	133.1	172.8	-179.7	0	0	0	0	110	Y36 E97	Y36-S95 VanDerWaalsContact CB-O 3.28Å; Y36-S95 WeakPolarHBondContact CB-O 3.46Å; Y36-S95 WeakPolarHBondContact CD1-O 3.39Å; Y36-S95 PolarHBondContact O-N 2.77Å; S95-E97 PolarHBondContact O-N 2.95Å; S95-E97 PolarHBondContact OG-N 2.84Å; S95-E97 VanDerWaalsContact OG-N 3.12Å; S95-E97 PolarHBondContact OG-O 3.41Å
96	W	87.6	Confident	91.8	Very high	138 Å²	138	74.4 Å²	74.4	52%	0.523	38%	0.382	S	S	.	.	S	Bend	trans	-75.3	-13.2	172.8	-56	114.9	0	0	0	112.6	I2 Y36	I2-W96 HydrophobicContact CD1-CZ2 4.1Å; Y36-W96 HydrophobicContact CD1-CE3 4.03Å; Y36-W96 AromaticContact CD2-CE3 3.36Å; Y36-W96 HydrophobicContact CD2-CE3 3.36Å; Y36-W96 HydrophobicContact CD2-CH2 4.49Å; Y36-W96 AromaticContact CD2-CZ3 3.26Å; Y36-W96 HydrophobicContact CD2-CZ3 3.26Å; Y36-W96 HydrophobicContact CE1-CE3 4.31Å; Y36-W96 AromaticContact CE2-CE3 3.71Å; Y36-W96 HydrophobicContact CE2-CE3 3.71Å; Y36-W96 AromaticContact CE2-CZ3 3.72Å; Y36-W96 HydrophobicContact CE2-CZ3 3.72Å; Y36-W96 AromaticContact CG-CE3 3.51Å; Y36-W96 HydrophobicContact CG-CE3 3.51Å; Y36-W96 AromaticContact CG-CZ3 3.82Å; Y36-W96 HydrophobicContact CG-CZ3 3.82Å
97	E	81	Confident	91.3	Very high	153 Å²	153	79.3 Å²	79.3	72%	0.715	41%	0.407	S	S	*	.	S	Bend	trans	-96.4	157.4	176.1	-63.3	-179.9	-176.4	0	0	111.1	S95	S95-E97 PolarHBondContact O-N 2.95Å; S95-E97 PolarHBondContact OG-N 2.84Å; S95-E97 VanDerWaalsContact OG-N 3.12Å; S95-E97 PolarHBondContact OG-O 3.41Å
98	I	73.6	Confident	90.8	Very high	131 Å²	131	76.8 Å²	76.8	67%	0.672	39%	0.385	S	S	*	.			trans	-66.5	127.3	175.3	-47.7	-169.8	0	0	0	108.5	Y54	Y54-I98 WeakPolarHBondContact OH-CG1 3.48Å
99	P	72.8	Confident	90.2	Very high	85 Å²	85	81.1 Å²	81.1	55%	0.552	40%	0.398	S	S	*	.			trans	-70.8	0	177	-6.8	19.5	0	0	0	114.3	H38 Y40 L50 K53	H38-P99 HydrophobicContact CB-CG 4.47Å; H38-P99 WeakPolarHBondContact CE1-CG 3.46Å; H38-P99 WeakPolarHBondContact ND1-CG 3.22Å; Y40-P99 WeakPolarHBondContact OH-CB 3.29Å; L50-P99 HydrophobicContact CD2-CB 4.17Å; K53-P99 HydrophobicContact CB-CG 4.44Å

Retrieved 99 of 99 residues in 103.5 ms (Link to these results)

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