A0A075B5M7_MOUSE Loading...

Immunoglobulin kappa variable 5-39

AlphaFold DB , UniProt , Accession A0A075B5M7, Species MOUSE (Mus musculus, Mouse), Gene Igkv5-39, Length 95 aa.

						>A0A075B5M7_MOUSE|A0A075B5M7|Igkv5-39
DIVMTQSPATLSVTPGDRVSLSCRASQSISDYLHWYQQKSHESPRLLIKYASQSISGIPSRFSGSGSGSDFTLSINSVEPEDVGVYYCQNGHSFP
					

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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	D	85.2	Confident	95.5	Very high	162 Å²	162	81.3 Å²	81.3	87%	0.866	49%	0.491	S	S	*	.				0	145.4	0	-165.9	11.9	0	0	0	108.8
2	I	92.4	Very high	95.6	Very high	10 Å²	10	84.3 Å²	84.3	5%	0.051	52%	0.519	C	S	.	.			trans	-97.3	109.3	-177.4	-58	-172.5	0	0	0	108.7	M4 A25 Q27 I29 N90 H92 S93	I2-M4 HydrophobicContact CG2-SD 3.83Å; I2-A25 HydrophobicContact CG2-CB 4.12Å; I2-Q27 HydrophobicContact CD1-CG 4.09Å; I2-Q27 HydrophobicContact CG1-CG 3.9Å; I2-Q27 HydrophobicContact CG2-CG 4.48Å; I2-I29 HydrophobicContact CD1-CG2 3.69Å; I2-I29 HydrophobicContact CG2-CG2 3.91Å; I2-N90 HydrophobicContact CG2-CB 4.16Å; I2-H92 HydrophobicContact CD1-CB 4.38Å; I2-S93 WeakPolarHBondContact CD1-OG 3.31Å
3	V	95.7	Very high	95.6	Very high	85 Å²	85	82.4 Å²	82.4	52%	0.515	51%	0.507	S	S	.	.			trans	-91.2	130.5	179.4	-178.5	0	0	0	0	109.4	A25 S26	V3-A25 CarbonylContact O-C 3.55Å; V3-A25 WeakPolarHBondContact O-CA 3.44Å; V3-S26 PolarHBondContact N-OG 3.09Å; V3-S26 PolarHBondContact O-N 2.64Å
4	M	96.6	Very high	95.7	Very high	45 Å²	45	82.9 Å²	82.9	22%	0.222	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	127.8	178.5	-55.1	-54.6	-76.7	0	0	110.1	I2 C23 A25 I29 L33 N90	I2-M4 HydrophobicContact CG2-SD 3.83Å; M4-C23 WeakPolarHBondContact CE-SG 3.23Å; M4-A25 HydrophobicContact CE-CB 4.02Å; M4-A25 HydrophobicContact SD-CB 3.61Å; M4-I29 HydrophobicContact CE-CD1 4.06Å; M4-L33 HydrophobicContact CE-CD1 3.46Å; M4-L33 VanDerWaalsContact CE-CD1 3.46Å; M4-N90 HydrophobicContact CE-CB 4.1Å; M4-N90 HydrophobicContact CG-CB 4.48Å; M4-N90 HydrophobicContact SD-CB 3.78Å
5	T	98.2	Very high	95.9	Very high	90 Å²	90	83.1 Å²	83.1	55%	0.552	51%	0.513	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	126.3	177.2	-56.6	0	0	0	0	109.9	C23 R24	T5-C23 CarbonylContact O-C 2.99Å; T5-C23 WeakPolarHBondContact O-CA 3.06Å; T5-R24 PolarHBondContact N-O 3.19Å; T5-R24 PolarHBondContact O-N 3.36Å
6	Q	98.2	Very high	96	Very high	70 Å²	70	80.8 Å²	80.8	33%	0.327	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	146.6	179.5	-74.9	177.8	-141.5	0	0	112.3	S22 C23 Y86 C88	Q6-S22 VanDerWaalsContact CA-O 3.28Å; Q6-S22 WeakPolarHBondContact CA-O 3.32Å; Q6-C23 HydrophobicContact CG-CB 4.23Å; Q6-Y86 PolarHBondContact NE2-O 2.84Å; Q6-C88 VanDerWaalsContact CD-SG 3.59Å; Q6-C88 WeakPolarHBondContact CG-SG 3.38Å; Q6-C88 PolarHBondContact OE1-SG 3.2Å
7	S	98.4	Very high	96.1	Very high	62 Å²	62	80.1 Å²	80.1	43%	0.434	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	148.7	172.9	64.1	0	0	0	0	113.1	S22	S7-S22 PolarHBondContact N-O 2.81Å; S7-S22 PolarHBondContact O-N 3.01Å
8	P	97.9	Very high	96.2	Very high	57 Å²	57	85.7 Å²	85.7	37%	0.37	51%	0.512	S	S	.	.			cis	-67.8	163	-14	31.6	-37.3	0	0	0	112.3	L11 L21	P8-L11 HydrophobicContact CG-CB 4.21Å; P8-L11 HydrophobicContact CG-CD1 4.25Å; P8-L21 HydrophobicContact CG-CD2 4.39Å
9	A	96	Very high	96.3	Very high	105 Å²	105	81.9 Å²	81.9	87%	0.868	49%	0.49	S	S	*	.	S	Bend	trans	-70.8	-36.7	177.5	0	0	0	0	0	112.6
10	T	96.4	Very high	96.4	Very high	121 Å²	121	80.7 Å²	80.7	74%	0.742	49%	0.485	S	S	*	.			trans	-137.7	141.9	176.9	-54.3	0	0	0	0	108.5
11	L	95.5	Very high	96.5	Very high	87 Å²	87	78 Å²	78	46%	0.455	47%	0.468	S	S	.	.			trans	-135.7	130.2	176.6	-172.3	66.8	0	0	0	109.2	P8 V13 V19	P8-L11 HydrophobicContact CG-CB 4.21Å; P8-L11 HydrophobicContact CG-CD1 4.25Å; L11-V13 HydrophobicContact CD1-CG1 4.34Å; L11-V13 HydrophobicContact CD2-CG1 3.62Å; L11-V13 HydrophobicContact CG-CG1 3.59Å; L11-V19 HydrophobicContact CD2-CB 3.78Å; L11-V19 HydrophobicContact CD2-CG1 3.69Å
12	S	96.6	Very high	97.1	Very high	118 Å²	118	72.8 Å²	72.8	83%	0.825	44%	0.444	S	S	*	.			trans	-106.7	124.8	170.8	-60.3	0	0	0	0	108.4
13	V	95.7	Very high	97.4	Very high	59 Å²	59	72.4 Å²	72.4	36%	0.358	44%	0.443	S	S	.	.			trans	-136.8	158.8	-171.7	-70.2	0	0	0	0	111.4	L11 D17 V19 V78	L11-V13 HydrophobicContact CD1-CG1 4.34Å; L11-V13 HydrophobicContact CD2-CG1 3.62Å; L11-V13 HydrophobicContact CG-CG1 3.59Å; V13-D17 HydrophobicContact CB-CB 4.34Å; V13-V19 HydrophobicContact CB-CG1 4.09Å; V13-V19 HydrophobicContact CG1-CG1 3.27Å; V13-V19 HydrophobicContact CG2-CG1 4.39Å; V13-V78 HydrophobicContact CG2-CG1 3.94Å; V13-V78 HydrophobicContact CG2-CG2 4.39Å
14	T	97.4	Very high	97.5	Very high	90 Å²	90	75.5 Å²	75.5	55%	0.552	45%	0.445	S	S	*	.			trans	-98.8	144.3	174.2	-48	0	0	0	0	109.4	G16 D17	T14-G16 PolarHBondContact O-N 3.36Å; T14-D17 WeakPolarHBondContact CB-OD2 3.21Å; T14-D17 PolarHBondContact N-OD2 3.1Å; T14-D17 WeakPolarHBondContact O-CB 3.2Å; T14-D17 PolarHBondContact O-N 2.79Å
15	P	97.7	Very high	97.6	Very high	86 Å²	86	73.6 Å²	73.6	56%	0.558	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	135.1	170.9	-27.4	35.6	0	0	0	111.8	V78 P80	P15-V78 CarbonylContact C-O 3.54Å; P15-V78 VanDerWaalsContact CA-O 3.31Å; P15-V78 WeakPolarHBondContact CA-O 3.47Å; P15-P80 HydrophobicContact CG-CG 4.47Å
16	G	97.9	Very high	97.5	Very high	46 Å²	46	72.9 Å²	72.9	47%	0.474	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.4	-16.1	-172.9	0	0	0	0	0	114.7	T14 V78	T14-G16 PolarHBondContact O-N 3.36Å; G16-V78 PolarHBondContact N-O 2.86Å
17	D	98	Very high	97.4	Very high	68 Å²	68	74.1 Å²	74.1	36%	0.364	44%	0.441	S	S	.	.			trans	-64	150.6	177.2	-73.5	-15.2	0	0	0	111.4	V13 T14 S77 V78	V13-D17 HydrophobicContact CB-CB 4.34Å; T14-D17 WeakPolarHBondContact CB-OD2 3.21Å; T14-D17 PolarHBondContact N-OD2 3.1Å; T14-D17 WeakPolarHBondContact O-CB 3.2Å; T14-D17 PolarHBondContact O-N 2.79Å; D17-S77 CarbonylContact O-C 3.58Å; D17-S77 WeakPolarHBondContact O-CA 3.33Å; D17-S77 PolarHBondContact O-N 3.18Å; D17-V78 WeakPolarHBondContact O-CG2 3.31Å; D17-V78 PolarHBondContact O-N 2.83Å
18	R	98	Very high	97.4	Very high	181 Å²	181	74.7 Å²	74.7	68%	0.683	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	127.6	166.5	-176.3	178.8	-176.5	-173.1	-2.4	109	I75 N76	R18-I75 WeakPolarHBondContact CA-O 3.37Å; R18-N76 PolarHBondContact NE-OD1 3.06Å; R18-N76 VanDerWaalsContact NE-OD1 3.1Å
19	V	97.4	Very high	97.3	Very high	14 Å²	14	72 Å²	72	9%	0.085	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	152.2	-179.1	-57.4	0	0	0	0	111.8	L11 V13 S74 I75 V78	L11-V19 HydrophobicContact CD2-CB 3.78Å; L11-V19 HydrophobicContact CD2-CG1 3.69Å; V13-V19 HydrophobicContact CB-CG1 4.09Å; V13-V19 HydrophobicContact CG1-CG1 3.27Å; V13-V19 HydrophobicContact CG2-CG1 4.39Å; V19-S74 VanDerWaalsContact O-CA 3.3Å; V19-S74 WeakPolarHBondContact O-CA 3.23Å; V19-I75 HydrophobicContact CG2-CB 3.64Å; V19-I75 HydrophobicContact CG2-CD1 3.76Å; V19-I75 HydrophobicContact CG2-CG1 3.75Å; V19-I75 PolarHBondContact N-O 2.95Å; V19-I75 VanDerWaalsContact N-O 3.09Å; V19-I75 PolarHBondContact O-N 2.82Å; V19-V78 HydrophobicContact CB-CG2 4.28Å; V19-V78 HydrophobicContact CG1-CG2 3.7Å; V19-V78 HydrophobicContact CG2-CG2 3.56Å
20	S	98	Very high	97.4	Very high	57 Å²	57	69.8 Å²	69.8	40%	0.399	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	133.2	175.6	-59.6	0	0	0	0	110.4	L73 S74	S20-L73 CarbonylContact C-O 3.56Å; S20-L73 VanDerWaalsContact CA-O 3.26Å; S20-L73 WeakPolarHBondContact CA-O 3.26Å; S20-S74 PolarHBondContact OG-OG 2.87Å
21	L	98.4	Very high	97.4	Very high	24 Å²	24	67 Å²	67	13%	0.126	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	128.4	171.9	-63.1	175.5	0	0	0	108.3	P8 W35 T72 L73 Y86	P8-L21 HydrophobicContact CG-CD2 4.39Å; L21-W35 HydrophobicContact CB-CH2 4.08Å; L21-W35 HydrophobicContact CB-CZ3 4.34Å; L21-T72 CarbonylContact O-C 3.56Å; L21-T72 VanDerWaalsContact O-CA 3.25Å; L21-T72 WeakPolarHBondContact O-CA 3.01Å; L21-L73 HydrophobicContact CB-CB 4.39Å; L21-L73 HydrophobicContact CD1-CD2 4.36Å; L21-L73 PolarHBondContact N-O 3.21Å; L21-L73 PolarHBondContact O-N 3.29Å; L21-Y86 HydrophobicContact CD1-CD1 4.43Å; L21-Y86 HydrophobicContact CD1-CD2 4.1Å; L21-Y86 HydrophobicContact CD1-CG 3.79Å
22	S	98.6	Very high	97.5	Very high	53 Å²	53	67.3 Å²	67.3	37%	0.371	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	145.1	175.6	-60.2	0	0	0	0	110.3	Q6 S7 F71	Q6-S22 VanDerWaalsContact CA-O 3.28Å; Q6-S22 WeakPolarHBondContact CA-O 3.32Å; S7-S22 PolarHBondContact N-O 2.81Å; S7-S22 PolarHBondContact O-N 3.01Å; S22-F71 WeakPolarHBondContact CA-O 3.38Å
23	C	98.5	Very high	97.6	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.014	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	125.7	169.9	176.5	0	0	0	0	109.6	M4 T5 Q6 W35 F71 C88	M4-C23 WeakPolarHBondContact CE-SG 3.23Å; T5-C23 CarbonylContact O-C 2.99Å; T5-C23 WeakPolarHBondContact O-CA 3.06Å; Q6-C23 HydrophobicContact CG-CB 4.23Å; C23-W35 HydrophobicContact CB-CH2 3.52Å; C23-W35 HydrophobicContact CB-CZ2 3.56Å; C23-W35 HydrophobicContact CB-CZ3 4.49Å; C23-F71 HydrophobicContact CB-CB 4.44Å; C23-F71 PolarHBondContact N-O 2.93Å; C23-F71 PolarHBondContact O-N 3.49Å; C23-C88 HydrophobicContact CB-CB 3.54Å; C23-C88 WeakPolarHBondContact CB-SG 3.09Å; C23-C88 WeakPolarHBondContact SG-CB 3.31Å; C23-C88 CovalentContact SG-SG 2.01Å; C23-C88 PolarHBondContact SG-SG 3.03Å
24	R	98.4	Very high	97.7	Very high	151 Å²	151	60.1 Å²	60.1	57%	0.57	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118	126.6	178.7	-178.5	174	-69	127	4.5	110.8	T5 S69 D70	T5-R24 PolarHBondContact N-O 3.19Å; T5-R24 PolarHBondContact O-N 3.36Å; R24-S69 CarbonylContact C-O 3.56Å; R24-S69 VanDerWaalsContact CA-O 3.23Å; R24-S69 WeakPolarHBondContact CA-O 3.49Å; R24-D70 IonicContact CZ-OD1 3.21Å; R24-D70 IonicContact NE-OD1 2.76Å; R24-D70 PolarHBondContact NE-OD1 3.37Å; R24-D70 IonicContact NH2-OD1 2.79Å; R24-D70 PolarHBondContact NH2-OD1 2.81Å
25	A	97.8	Very high	97.8	Very high	4 Å²	4	55.8 Å²	55.8	3%	0.033	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	147.6	168.8	0	0	0	0	0	110.6	I2 V3 M4 Q27 I29 S69	I2-A25 HydrophobicContact CG2-CB 4.12Å; V3-A25 CarbonylContact O-C 3.55Å; V3-A25 WeakPolarHBondContact O-CA 3.44Å; M4-A25 HydrophobicContact CE-CB 4.02Å; M4-A25 HydrophobicContact SD-CB 3.61Å; A25-Q27 VanDerWaalsContact CB-O 3.24Å; A25-Q27 WeakPolarHBondContact CB-O 3.48Å; A25-Q27 PolarHBondContact O-N 2.87Å; A25-I29 HydrophobicContact CB-CD1 4.17Å; A25-I29 HydrophobicContact CB-CG1 4.33Å; A25-I29 HydrophobicContact CB-CG2 3.99Å; A25-S69 PolarHBondContact N-O 2.9Å
26	S	97.3	Very high	97.8	Very high	75 Å²	75	54.4 Å²	54.4	52%	0.524	29%	0.289	S	S	.	.	S	Bend	trans	-65.5	-15	176.9	58.5	0	0	0	0	114.3	V3	V3-S26 PolarHBondContact N-OG 3.09Å; V3-S26 PolarHBondContact O-N 2.64Å
27	Q	96.4	Very high	97.8	Very high	96 Å²	96	52.9 Å²	52.9	45%	0.449	27%	0.269	S	S	.	.	S	Bend	trans	-149.7	169.5	177.2	58.6	-177.8	73.6	0	0	109.5	I2 A25 I29	I2-Q27 HydrophobicContact CD1-CG 4.09Å; I2-Q27 HydrophobicContact CG1-CG 3.9Å; I2-Q27 HydrophobicContact CG2-CG 4.48Å; A25-Q27 VanDerWaalsContact CB-O 3.24Å; A25-Q27 WeakPolarHBondContact CB-O 3.48Å; A25-Q27 PolarHBondContact O-N 2.87Å; Q27-I29 PolarHBondContact O-N 2.92Å
28	S	97	Very high	97.8	Very high	74 Å²	74	52.4 Å²	52.4	52%	0.517	27%	0.265	S	S	.	.			trans	-60.9	134.6	174.3	178.8	0	0	0	0	111.4	S30 G68	S28-S30 PolarHBondContact OG-N 3.12Å; S28-G68 WeakPolarHBondContact CA-O 3.21Å; S28-G68 WeakPolarHBondContact OG-CA 3.35Å
29	I	97.2	Very high	97.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.244	C	C	.	.			trans	-122.2	22.7	173.7	64.9	173	0	0	0	111.8	I2 M4 A25 Q27 D31 Y32 L33 G68 F71 N90 H92	I2-I29 HydrophobicContact CD1-CG2 3.69Å; I2-I29 HydrophobicContact CG2-CG2 3.91Å; M4-I29 HydrophobicContact CE-CD1 4.06Å; A25-I29 HydrophobicContact CB-CD1 4.17Å; A25-I29 HydrophobicContact CB-CG1 4.33Å; A25-I29 HydrophobicContact CB-CG2 3.99Å; Q27-I29 PolarHBondContact O-N 2.92Å; I29-D31 PolarHBondContact O-N 2.88Å; I29-D31 VanDerWaalsContact O-N 3.13Å; I29-Y32 WeakPolarHBondContact O-CB 3.28Å; I29-Y32 VanDerWaalsContact O-CD2 3.31Å; I29-Y32 WeakPolarHBondContact O-CD2 3.36Å; I29-Y32 PolarHBondContact O-N 3.37Å; I29-L33 HydrophobicContact CD1-CB 4.17Å; I29-L33 HydrophobicContact CD1-CD1 3.92Å; I29-G68 WeakPolarHBondContact CG1-O 3.37Å; I29-G68 PolarHBondContact N-O 3.04Å; I29-F71 HydrophobicContact CD1-CE2 3.62Å; I29-F71 HydrophobicContact CD1-CZ 3.85Å; I29-F71 HydrophobicContact CG1-CE2 3.55Å; I29-F71 HydrophobicContact CG1-CZ 3.48Å; I29-F71 VanDerWaalsContact CG1-CZ 3.48Å; I29-N90 HydrophobicContact CD1-CB 3.73Å; I29-N90 HydrophobicContact CG2-CB 4.24Å; I29-H92 HydrophobicContact CB-CB 3.76Å; I29-H92 HydrophobicContact CG2-CB 4Å
30	S	96.8	Very high	97.5	Very high	60 Å²	60	50.3 Å²	50.3	42%	0.42	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	-117.7	-169.9	-174.5	0	0	0	0	110	S28 S67 G68 F71	S28-S30 PolarHBondContact OG-N 3.12Å; S30-S67 CarbonylContact O-C 3.57Å; S30-S67 WeakPolarHBondContact O-CA 3.2Å; S30-G68 PolarHBondContact O-N 3.05Å; S30-F71 WeakPolarHBondContact O-CZ 3.41Å
31	D	97.4	Very high	97.2	Very high	61 Å²	61	56.7 Å²	56.7	33%	0.326	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	8.6	175.6	59.5	-24.4	0	0	0	111.2	I29 L33 Y50 A51	I29-D31 PolarHBondContact O-N 2.88Å; I29-D31 VanDerWaalsContact O-N 3.13Å; D31-L33 PolarHBondContact O-N 3.06Å; D31-Y50 CarbonylContact O-C 3.54Å; D31-Y50 WeakPolarHBondContact O-CA 3.25Å; D31-A51 HydrophobicContact CB-CB 4.21Å; D31-A51 PolarHBondContact O-N 3.12Å
32	Y	97.2	Very high	97	Very high	95 Å²	95	60.9 Å²	60.9	37%	0.373	31%	0.313	S	S	.	.			trans	-72.9	54.1	-178.9	-64.3	-78.2	0	0	0	112.5	I29 Y50 N90 G91 H92	I29-Y32 WeakPolarHBondContact O-CB 3.28Å; I29-Y32 VanDerWaalsContact O-CD2 3.31Å; I29-Y32 WeakPolarHBondContact O-CD2 3.36Å; I29-Y32 PolarHBondContact O-N 3.37Å; Y32-Y50 HydrophobicContact CD1-CD1 4.17Å; Y32-Y50 AromaticContact CD1-CE1 3.92Å; Y32-Y50 HydrophobicContact CD1-CE1 3.92Å; Y32-Y50 HydrophobicContact CE1-CE1 4.05Å; Y32-N90 CarbonylContact O-C 3.55Å; Y32-N90 WeakPolarHBondContact O-CA 3.44Å; Y32-G91 PolarHBondContact O-N 3.02Å; Y32-H92 HydrophobicContact CD2-CB 4.15Å; Y32-H92 AromaticContact CD2-ND1 3.45Å; Y32-H92 WeakPolarHBondContact CD2-ND1 3.3Å; Y32-H92 AromaticContact CE2-ND1 3.79Å; Y32-H92 HydrophobicContact CG-CB 4.31Å
33	L	98	Very high	96.9	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	137.1	172.6	-170.6	102.7	0	0	0	109.9	M4 I29 D31 W35 Y50 A51 F71 C88 Q89	M4-L33 HydrophobicContact CE-CD1 3.46Å; M4-L33 VanDerWaalsContact CE-CD1 3.46Å; I29-L33 HydrophobicContact CD1-CB 4.17Å; I29-L33 HydrophobicContact CD1-CD1 3.92Å; D31-L33 PolarHBondContact O-N 3.06Å; L33-W35 HydrophobicContact CD2-CD2 4.46Å; L33-W35 HydrophobicContact CD2-CG 4.41Å; L33-W35 HydrophobicContact CD2-CZ2 4.32Å; L33-Y50 PolarHBondContact O-N 3.08Å; L33-Y50 VanDerWaalsContact O-N 3.09Å; L33-A51 HydrophobicContact CB-CB 4.41Å; L33-A51 PolarHBondContact O-N 2.91Å; L33-F71 HydrophobicContact CB-CD1 3.84Å; L33-F71 HydrophobicContact CB-CD2 4.41Å; L33-F71 HydrophobicContact CB-CE1 3.86Å; L33-F71 HydrophobicContact CB-CE2 4.43Å; L33-F71 HydrophobicContact CB-CG 4.12Å; L33-F71 HydrophobicContact CB-CZ 4.17Å; L33-F71 HydrophobicContact CD1-CB 4.21Å; L33-F71 HydrophobicContact CD1-CD1 4.41Å; L33-F71 HydrophobicContact CD1-CD2 3.63Å; L33-F71 HydrophobicContact CD1-CE2 4.07Å; L33-F71 HydrophobicContact CD1-CG 3.82Å; L33-F71 HydrophobicContact CD2-CB 3.47Å; L33-F71 VanDerWaalsContact CD2-CB 3.47Å; L33-F71 HydrophobicContact CD2-CD1 3.8Å; L33-F71 HydrophobicContact CD2-CD2 4.31Å; L33-F71 HydrophobicContact CD2-CG 3.59Å; L33-F71 HydrophobicContact CG-CB 4.35Å; L33-F71 HydrophobicContact CG-CD1 4.22Å; L33-F71 HydrophobicContact CG-CD2 4.31Å; L33-F71 HydrophobicContact CG-CG 4.03Å; L33-C88 HydrophobicContact CD1-CB 4.04Å; L33-C88 HydrophobicContact CG-CB 4.42Å; L33-Q89 WeakPolarHBondContact CA-O 3.24Å
34	H	98.3	Very high	96.9	Very high	25 Å²	25	66 Å²	66	12%	0.116	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	134.2	174.5	-58.8	-69.2	0	0	0	110.1	Y36 L46 I48 K49 C88 Q89	H34-Y36 HydrophobicContact CB-CD2 4.39Å; H34-Y36 HydrophobicContact CB-CE2 3.53Å; H34-L46 HydrophobicContact CB-CD1 3.81Å; H34-I48 CarbonylContact C-O 3.01Å; H34-I48 WeakPolarHBondContact CA-O 3.34Å; H34-K49 VanDerWaalsContact ND1-CA 3.33Å; H34-K49 WeakPolarHBondContact ND1-CA 3.33Å; H34-K49 VanDerWaalsContact ND1-CB 3.31Å; H34-K49 WeakPolarHBondContact ND1-CB 3.15Å; H34-C88 CarbonylContact O-C 3.56Å; H34-C88 VanDerWaalsContact O-CA 3.32Å; H34-C88 WeakPolarHBondContact O-CA 3.45Å; H34-Q89 PolarHBondContact CD2-OE1 2.74Å; H34-Q89 PolarHBondContact N-O 2.79Å; H34-Q89 PolarHBondContact O-N 2.91Å
35	W	98.6	Very high	96.8	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	135	173.5	-74.3	104.5	0	0	0	110.6	L21 C23 L33 L47 I48 L73 Y87 C88	L21-W35 HydrophobicContact CB-CH2 4.08Å; L21-W35 HydrophobicContact CB-CZ3 4.34Å; C23-W35 HydrophobicContact CB-CH2 3.52Å; C23-W35 HydrophobicContact CB-CZ2 3.56Å; C23-W35 HydrophobicContact CB-CZ3 4.49Å; L33-W35 HydrophobicContact CD2-CD2 4.46Å; L33-W35 HydrophobicContact CD2-CG 4.41Å; L33-W35 HydrophobicContact CD2-CZ2 4.32Å; W35-L47 PolarHBondContact O-N 3.37Å; W35-I48 HydrophobicContact CB-CB 4.14Å; W35-I48 HydrophobicContact CB-CG1 4.44Å; W35-I48 PolarHBondContact N-O 3.25Å; W35-I48 PolarHBondContact O-N 2.84Å; W35-L73 HydrophobicContact CB-CD1 4.4Å; W35-L73 HydrophobicContact CB-CD2 4.44Å; W35-L73 HydrophobicContact CD2-CB 3.64Å; W35-L73 HydrophobicContact CD2-CD2 4.08Å; W35-L73 HydrophobicContact CD2-CG 4.32Å; W35-L73 VanDerWaalsContact CE2-CB 3.5Å; W35-L73 HydrophobicContact CE3-CB 3.99Å; W35-L73 HydrophobicContact CE3-CD2 3.93Å; W35-L73 HydrophobicContact CG-CB 4.09Å; W35-L73 HydrophobicContact CG-CD1 4.2Å; W35-L73 HydrophobicContact CG-CD2 4.31Å; W35-L73 HydrophobicContact CG-CG 4.45Å; W35-L73 HydrophobicContact CH2-CB 4.05Å; W35-L73 HydrophobicContact CZ2-CB 3.73Å; W35-L73 HydrophobicContact CZ3-CB 4.18Å; W35-L73 HydrophobicContact CZ3-CD2 4.47Å; W35-Y87 CarbonylContact C-O 3.51Å; W35-Y87 WeakPolarHBondContact CA-O 3.11Å; W35-C88 HydrophobicContact CD2-CB 4.1Å; W35-C88 HydrophobicContact CE3-CB 3.83Å; W35-C88 HydrophobicContact CH2-CB 3.9Å; W35-C88 HydrophobicContact CZ2-CB 4.13Å; W35-C88 HydrophobicContact CZ3-CB 3.73Å
36	Y	98.2	Very high	96.8	Very high	57 Å²	57	66.9 Å²	66.9	22%	0.224	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	150.2	178	-61.8	-100.1	0	0	0	110.5	H34 P44 R45 L46 Y86 Y87 Q89	H34-Y36 HydrophobicContact CB-CD2 4.39Å; H34-Y36 HydrophobicContact CB-CE2 3.53Å; Y36-P44 HydrophobicContact CD1-CB 4.36Å; Y36-R45 CarbonylContact C-O 3.53Å; Y36-R45 WeakPolarHBondContact CA-O 3.37Å; Y36-L46 HydrophobicContact CD1-CB 4.1Å; Y36-L46 HydrophobicContact CD1-CD1 4.18Å; Y36-L46 HydrophobicContact CD2-CD1 4.4Å; Y36-L46 HydrophobicContact CE1-CB 3.84Å; Y36-L46 HydrophobicContact CE1-CD1 3.69Å; Y36-L46 HydrophobicContact CE1-CG 4.33Å; Y36-L46 HydrophobicContact CE2-CD1 3.93Å; Y36-Y86 VanDerWaalsContact O-CA 3.27Å; Y36-Y86 WeakPolarHBondContact O-CA 3.44Å; Y36-Y87 PolarHBondContact N-O 2.76Å; Y36-Y87 PolarHBondContact O-N 3.44Å; Y36-Q89 HydrophobicContact CE2-CB 4.04Å
37	Q	97.9	Very high	96.8	Very high	14 Å²	14	63.3 Å²	63.3	7%	0.065	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	136.8	167.3	-179.6	-170.9	39.8	0	0	109	K39 P44 R45 L47 D82 V85 Y86	Q37-K39 HydrophobicContact CG-CG 4.44Å; Q37-P44 WeakPolarHBondContact O-CA 3.26Å; Q37-R45 PolarHBondContact N-O 3.49Å; Q37-R45 PolarHBondContact O-N 3.02Å; Q37-L47 HydrophobicContact CB-CD1 3.66Å; Q37-L47 HydrophobicContact CB-CD2 3.98Å; Q37-L47 HydrophobicContact CB-CG 3.9Å; Q37-D82 PolarHBondContact NE2-O 2.94Å; Q37-V85 CarbonylContact C-O 3.56Å; Q37-V85 WeakPolarHBondContact CA-O 3.4Å; Q37-Y86 HydrophobicContact CB-CD1 4.14Å; Q37-Y86 HydrophobicContact CB-CE1 3.91Å; Q37-Y86 HydrophobicContact CG-CD1 4.42Å; Q37-Y86 HydrophobicContact CG-CE1 3.92Å; Q37-Y86 HydrophobicContact CG-CE2 4.43Å; Q37-Y86 PolarHBondContact NE2-OH 2.77Å
38	Q	98	Very high	96.9	Very high	57 Å²	57	58.8 Å²	58.8	27%	0.266	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	112.3	171.3	-171.6	175.9	21.6	0	0	109.3	E42 P44 G84 V85 Y87	Q38-E42 VanDerWaalsContact CG-O 3.26Å; Q38-E42 WeakPolarHBondContact CG-O 3.43Å; Q38-E42 PolarHBondContact NE2-O 2.79Å; Q38-P44 HydrophobicContact CB-CB 4.48Å; Q38-P44 HydrophobicContact CB-CG 4.31Å; Q38-P44 HydrophobicContact CG-CG 4.25Å; Q38-G84 CarbonylContact O-C 3.46Å; Q38-G84 VanDerWaalsContact O-CA 3.3Å; Q38-G84 WeakPolarHBondContact O-CA 3.46Å; Q38-V85 PolarHBondContact N-O 2.92Å; Q38-V85 PolarHBondContact O-N 3.39Å; Q38-Y87 HydrophobicContact CB-CD2 4.5Å; Q38-Y87 HydrophobicContact CB-CE2 3.82Å; Q38-Y87 PolarHBondContact OE1-OH 2.89Å
39	K	96	Very high	97	Very high	57 Å²	57	58.9 Å²	58.9	25%	0.248	30%	0.298	C	S	.	.			trans	-81.1	165.5	172.4	-59.3	-172.9	-174.3	-163.2	0	110	Q37 H41 E42 E81	Q37-K39 HydrophobicContact CG-CG 4.44Å; K39-H41 PolarHBondContact O-N 3.31Å; K39-E42 HydrophobicContact CB-CB 4.26Å; K39-E42 HydrophobicContact CB-CG 4.23Å; K39-E42 PolarHBondContact O-N 3.46Å; K39-E81 WeakPolarHBondContact CE-O 3.41Å; K39-E81 PolarHBondContact NZ-O 3.28Å
40	S	93.6	Very high	97	Very high	95 Å²	95	63.1 Å²	63.1	66%	0.664	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	125.2	-180	-164.4	0	0	0	0	110.9	E42	S40-E42 PolarHBondContact O-N 2.98Å; S40-E42 VanDerWaalsContact O-N 3.14Å
41	H	92.2	Very high	97.1	Very high	190 Å²	190	60.3 Å²	60.3	88%	0.88	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	10.9	-179.9	-46.1	-68.6	0	0	0	116.4	K39	K39-H41 PolarHBondContact O-N 3.31Å
42	E	94.6	Very high	97.1	Very high	112 Å²	112	61 Å²	61	52%	0.523	31%	0.305	S	S	.	.	S	Bend	trans	-99.5	162.2	174.4	-68.2	-177.4	-155	0	0	111.4	Q38 K39 S40	Q38-E42 VanDerWaalsContact CG-O 3.26Å; Q38-E42 WeakPolarHBondContact CG-O 3.43Å; Q38-E42 PolarHBondContact NE2-O 2.79Å; K39-E42 HydrophobicContact CB-CB 4.26Å; K39-E42 HydrophobicContact CB-CG 4.23Å; K39-E42 PolarHBondContact O-N 3.46Å; S40-E42 PolarHBondContact O-N 2.98Å; S40-E42 VanDerWaalsContact O-N 3.14Å
43	S	96.3	Very high	97.1	Very high	95 Å²	95	61 Å²	61	66%	0.664	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-76.4	152.7	168.4	54.3	0	0	0	0	110.8	R45	S43-R45 PolarHBondContact O-N 2.72Å
44	P	97.1	Very high	97.1	Very high	67 Å²	67	63.9 Å²	63.9	44%	0.435	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-59	126.7	174.2	-24.1	34.2	0	0	0	112	Y36 Q37 Q38	Y36-P44 HydrophobicContact CD1-CB 4.36Å; Q37-P44 WeakPolarHBondContact O-CA 3.26Å; Q38-P44 HydrophobicContact CB-CB 4.48Å; Q38-P44 HydrophobicContact CB-CG 4.31Å; Q38-P44 HydrophobicContact CG-CG 4.25Å
45	R	96.8	Very high	97.1	Very high	126 Å²	126	64.8 Å²	64.8	48%	0.475	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	134.5	174.9	-179.7	179.5	176.4	-168.9	-3.1	110.3	Y36 Q37 S43 L47 G57	Y36-R45 CarbonylContact C-O 3.53Å; Y36-R45 WeakPolarHBondContact CA-O 3.37Å; Q37-R45 PolarHBondContact N-O 3.49Å; Q37-R45 PolarHBondContact O-N 3.02Å; S43-R45 PolarHBondContact O-N 2.72Å; R45-L47 PolarHBondContact O-N 2.78Å; R45-G57 PolarHBondContact NH2-O 3.14Å; R45-G57 VanDerWaalsContact NH2-O 3.12Å
46	L	97.8	Very high	97	Very high	48 Å²	48	70.2 Å²	70.2	25%	0.251	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	127.1	174.8	-175.2	67.2	0	0	0	110.8	H34 Y36 K49 I55	H34-L46 HydrophobicContact CB-CD1 3.81Å; Y36-L46 HydrophobicContact CD1-CB 4.1Å; Y36-L46 HydrophobicContact CD1-CD1 4.18Å; Y36-L46 HydrophobicContact CD2-CD1 4.4Å; Y36-L46 HydrophobicContact CE1-CB 3.84Å; Y36-L46 HydrophobicContact CE1-CD1 3.69Å; Y36-L46 HydrophobicContact CE1-CG 4.33Å; Y36-L46 HydrophobicContact CE2-CD1 3.93Å; L46-K49 HydrophobicContact CD2-CB 4.38Å; L46-I55 HydrophobicContact CB-CG1 4.33Å; L46-I55 HydrophobicContact CD2-CD1 3.61Å; L46-I55 HydrophobicContact CD2-CG1 3.8Å; L46-I55 HydrophobicContact CG-CD1 4.09Å; L46-I55 HydrophobicContact CG-CG1 3.71Å
47	L	97.9	Very high	96.9	Very high	1 Å²	1	70.6 Å²	70.6	1%	0.005	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	-54.5	178.6	-62.5	-175.7	0	0	0	112.3	W35 Q37 R45 I55 I58 F62 L73 Y86	W35-L47 PolarHBondContact O-N 3.37Å; Q37-L47 HydrophobicContact CB-CD1 3.66Å; Q37-L47 HydrophobicContact CB-CD2 3.98Å; Q37-L47 HydrophobicContact CB-CG 3.9Å; R45-L47 PolarHBondContact O-N 2.78Å; L47-I55 PolarHBondContact O-N 2.78Å; L47-I58 HydrophobicContact CD2-CD1 3.5Å; L47-I58 VanDerWaalsContact CD2-CD1 3.5Å; L47-I58 HydrophobicContact CD2-CG1 4.33Å; L47-I58 HydrophobicContact CD2-CG2 4.38Å; L47-F62 HydrophobicContact CD1-CD1 4.03Å; L47-F62 HydrophobicContact CD1-CE1 4.08Å; L47-L73 HydrophobicContact CD1-CD2 4.42Å; L47-Y86 HydrophobicContact CD1-CD1 3.92Å; L47-Y86 HydrophobicContact CD1-CE1 3.63Å
48	I	98.6	Very high	96.8	Very high	1 Å²	1	70.8 Å²	70.8	1%	0.005	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	135.3	-176.6	-52.6	-71.2	0	0	0	107.8	H34 W35 Q53 L73	H34-I48 CarbonylContact C-O 3.01Å; H34-I48 WeakPolarHBondContact CA-O 3.34Å; W35-I48 HydrophobicContact CB-CB 4.14Å; W35-I48 HydrophobicContact CB-CG1 4.44Å; W35-I48 PolarHBondContact N-O 3.25Å; W35-I48 PolarHBondContact O-N 2.84Å; I48-Q53 CarbonylContact C-O 3.56Å; I48-Q53 WeakPolarHBondContact CA-O 3.28Å; I48-L73 HydrophobicContact CG1-CD1 4Å
49	K	98	Very high	96.8	Very high	75 Å²	75	70.5 Å²	70.5	33%	0.326	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	159.7	169.8	66.5	175.8	-177.3	176.4	0	111.3	H34 L46 A51 S52 Q53 I55	H34-K49 VanDerWaalsContact ND1-CA 3.33Å; H34-K49 WeakPolarHBondContact ND1-CA 3.33Å; H34-K49 VanDerWaalsContact ND1-CB 3.31Å; H34-K49 WeakPolarHBondContact ND1-CB 3.15Å; L46-K49 HydrophobicContact CD2-CB 4.38Å; K49-A51 VanDerWaalsContact C-N 3.27Å; K49-A51 PolarHBondContact O-N 2.81Å; K49-S52 PolarHBondContact O-N 2.89Å; K49-Q53 HydrophobicContact CG-CB 3.92Å; K49-Q53 PolarHBondContact N-O 2.86Å; K49-Q53 WeakPolarHBondContact O-CA 3.46Å; K49-Q53 VanDerWaalsContact O-CB 3.28Å; K49-Q53 WeakPolarHBondContact O-CB 3.3Å; K49-Q53 PolarHBondContact O-N 2.87Å; K49-I55 HydrophobicContact CB-CD1 4.21Å; K49-I55 HydrophobicContact CD-CD1 3.71Å; K49-I55 HydrophobicContact CG-CD1 3.78Å
50	Y	97.7	Very high	96.8	Very high	89 Å²	89	73.4 Å²	73.4	35%	0.349	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	50	179.4	-55.4	-64.3	0	0	0	112.6	D31 Y32 L33 S52	D31-Y50 CarbonylContact O-C 3.54Å; D31-Y50 WeakPolarHBondContact O-CA 3.25Å; Y32-Y50 HydrophobicContact CD1-CD1 4.17Å; Y32-Y50 AromaticContact CD1-CE1 3.92Å; Y32-Y50 HydrophobicContact CD1-CE1 3.92Å; Y32-Y50 HydrophobicContact CE1-CE1 4.05Å; L33-Y50 PolarHBondContact O-N 3.08Å; L33-Y50 VanDerWaalsContact O-N 3.09Å; Y50-S52 PolarHBondContact O-N 2.84Å; Y50-S52 PolarHBondContact O-OG 3.23Å
51	A	98.3	Very high	97	Very high	1 Å²	1	70.4 Å²	70.4	1%	0.008	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	-30.3	-178.3	0	0	0	0	0	117.3	D31 L33 K49 G64 S65 G66 F71	D31-A51 HydrophobicContact CB-CB 4.21Å; D31-A51 PolarHBondContact O-N 3.12Å; L33-A51 HydrophobicContact CB-CB 4.41Å; L33-A51 PolarHBondContact O-N 2.91Å; K49-A51 VanDerWaalsContact C-N 3.27Å; K49-A51 PolarHBondContact O-N 2.81Å; A51-G64 CarbonylContact O-C 3.55Å; A51-G64 WeakPolarHBondContact O-CA 3.38Å; A51-S65 PolarHBondContact O-N 2.74Å; A51-G66 WeakPolarHBondContact CB-O 3.43Å; A51-F71 HydrophobicContact CB-CD1 3.69Å; A51-F71 HydrophobicContact CB-CE1 3.7Å
52	S	98.2	Very high	97.3	Very high	76 Å²	76	61.8 Å²	61.8	53%	0.531	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.7	-12.4	-168	60.9	0	0	0	0	115.4	K49 Y50 S54 G64	K49-S52 PolarHBondContact O-N 2.89Å; Y50-S52 PolarHBondContact O-N 2.84Å; Y50-S52 PolarHBondContact O-OG 3.23Å; S52-S54 PolarHBondContact O-N 3.21Å; S52-G64 WeakPolarHBondContact CA-O 3.42Å; S52-G64 WeakPolarHBondContact CB-O 3.27Å
53	Q	98.1	Very high	97.5	Very high	96 Å²	96	58.5 Å²	58.5	45%	0.449	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	113.9	-177.8	-55.7	-176.5	-7.7	0	0	111.2	I48 K49	I48-Q53 CarbonylContact C-O 3.56Å; I48-Q53 WeakPolarHBondContact CA-O 3.28Å; K49-Q53 HydrophobicContact CG-CB 3.92Å; K49-Q53 PolarHBondContact N-O 2.86Å; K49-Q53 WeakPolarHBondContact O-CA 3.46Å; K49-Q53 VanDerWaalsContact O-CB 3.28Å; K49-Q53 WeakPolarHBondContact O-CB 3.3Å; K49-Q53 PolarHBondContact O-N 2.87Å
54	S	97.1	Very high	97.6	Very high	59 Å²	59	54.5 Å²	54.5	41%	0.413	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	146.7	176.4	-169.6	0	0	0	0	112.6	S52	S52-S54 PolarHBondContact O-N 3.21Å
55	I	97.6	Very high	97.6	Very high	44 Å²	44	54 Å²	54	23%	0.226	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-84.3	145.6	173.1	-58.5	-56.8	0	0	0	110.5	L46 L47 K49 G57 I58	L46-I55 HydrophobicContact CB-CG1 4.33Å; L46-I55 HydrophobicContact CD2-CD1 3.61Å; L46-I55 HydrophobicContact CD2-CG1 3.8Å; L46-I55 HydrophobicContact CG-CD1 4.09Å; L46-I55 HydrophobicContact CG-CG1 3.71Å; L47-I55 PolarHBondContact O-N 2.78Å; K49-I55 HydrophobicContact CB-CD1 4.21Å; K49-I55 HydrophobicContact CD-CD1 3.71Å; K49-I55 HydrophobicContact CG-CD1 3.78Å; I55-G57 PolarHBondContact O-N 2.85Å; I55-I58 HydrophobicContact CB-CG1 3.93Å; I55-I58 VanDerWaalsContact O-CB 3.29Å; I55-I58 WeakPolarHBondContact O-CB 3.3Å; I55-I58 WeakPolarHBondContact O-CG1 3.33Å; I55-I58 PolarHBondContact O-N 2.79Å; I55-I58 VanDerWaalsContact O-N 3.08Å
56	S	96.5	Very high	97.7	Very high	114 Å²	114	49.8 Å²	49.8	80%	0.797	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	133.1	175.2	-56.4	0	0	0	0	112.1	I58	S56-I58 VanDerWaalsContact C-N 3.31Å
57	G	95.8	Very high	97.7	Very high	66 Å²	66	51.6 Å²	51.6	68%	0.68	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	11.1	-178.8	0	0	0	0	0	114.7	R45 I55	R45-G57 PolarHBondContact NH2-O 3.14Å; R45-G57 VanDerWaalsContact NH2-O 3.12Å; I55-G57 PolarHBondContact O-N 2.85Å
58	I	96.5	Very high	97.7	Very high	18 Å²	18	52.4 Å²	52.4	9%	0.092	34%	0.341	C	S	.	.	S	Bend	trans	-90.7	130.3	165.9	-60.6	-57.5	0	0	0	109.1	L47 I55 S56 F62	L47-I58 HydrophobicContact CD2-CD1 3.5Å; L47-I58 VanDerWaalsContact CD2-CD1 3.5Å; L47-I58 HydrophobicContact CD2-CG1 4.33Å; L47-I58 HydrophobicContact CD2-CG2 4.38Å; I55-I58 HydrophobicContact CB-CG1 3.93Å; I55-I58 VanDerWaalsContact O-CB 3.29Å; I55-I58 WeakPolarHBondContact O-CB 3.3Å; I55-I58 WeakPolarHBondContact O-CG1 3.33Å; I55-I58 PolarHBondContact O-N 2.79Å; I55-I58 VanDerWaalsContact O-N 3.08Å; S56-I58 VanDerWaalsContact C-N 3.31Å; I58-F62 HydrophobicContact CG2-CB 3.86Å; I58-F62 HydrophobicContact CG2-CD2 3.92Å; I58-F62 HydrophobicContact CG2-CG 4.06Å
59	P	97.5	Very high	97.7	Very high	50 Å²	50	54.2 Å²	54.2	33%	0.325	35%	0.354	S	S	.	.			trans	-56.5	141.9	178.2	-28	36.7	0	0	0	112.9	R61 F62	P59-R61 HydrophobicContact CB-CG 3.71Å; P59-R61 VanDerWaalsContact CB-NH1 3.34Å; P59-R61 PolarHBondContact O-N 2.99Å; P59-F62 HydrophobicContact CB-CD2 4.07Å; P59-F62 HydrophobicContact CB-CE2 4.29Å; P59-F62 HydrophobicContact CG-CD2 4.34Å; P59-F62 HydrophobicContact CG-CE2 4.22Å; P59-F62 PolarHBondContact O-N 3.49Å
60	S	97.1	Very high	97.7	Very high	118 Å²	118	54 Å²	54	83%	0.825	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-12.2	-179.9	55.7	0	0	0	0	114.2	F62	S60-F62 PolarHBondContact O-N 2.76Å
61	R	97.6	Very high	97.7	Very high	32 Å²	32	49.9 Å²	49.9	12%	0.121	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-27.8	169.3	56	168.1	-173.2	-83.4	6.1	112.8	P59 I75 N76 S77 E79 E81 D82	P59-R61 HydrophobicContact CB-CG 3.71Å; P59-R61 VanDerWaalsContact CB-NH1 3.34Å; P59-R61 PolarHBondContact O-N 2.99Å; R61-I75 HydrophobicContact CB-CG2 4.44Å; R61-I75 HydrophobicContact CG-CG2 4.23Å; R61-I75 CarbonylContact O-C 3.55Å; R61-I75 WeakPolarHBondContact O-CA 3.29Å; R61-N76 HydrophobicContact CB-CB 4.47Å; R61-N76 WeakPolarHBondContact CB-O 3.02Å; R61-N76 PolarHBondContact O-N 2.92Å; R61-S77 WeakPolarHBondContact CD-O 3.43Å; R61-E79 IonicContact CZ-OE2 2.79Å; R61-E79 IonicContact NE-OE2 3.44Å; R61-E79 VanDerWaalsContact NH1-CD 3.29Å; R61-E79 IonicContact NH1-OE1 3.62Å; R61-E79 IonicContact NH1-OE2 3.66Å; R61-E79 PolarHBondContact NH1-OE2 3.23Å; R61-E79 IonicContact NH2-OE2 3.86Å; R61-E79 PolarHBondContact NH2-OE2 3.28Å; R61-E81 IonicContact CZ-OE1 2.74Å; R61-E81 IonicContact NH1-OE1 3.31Å; R61-E81 IonicContact NH2-OE1 2.94Å; R61-E81 PolarHBondContact NH2-OE1 3.13Å; R61-D82 IonicContact CZ-OD1 3.19Å; R61-D82 IonicContact CZ-OD2 3.04Å; R61-D82 IonicContact NE-OD1 3.7Å; R61-D82 PolarHBondContact NE-OD1 2.85Å; R61-D82 IonicContact NE-OD2 3.71Å; R61-D82 PolarHBondContact NE-OD2 3.36Å; R61-D82 IonicContact NH2-OD1 3.92Å; R61-D82 PolarHBondContact NH2-OD1 2.85Å; R61-D82 IonicContact NH2-OD2 2.64Å
62	F	98.4	Very high	97.7	Very high	9 Å²	9	51.7 Å²	51.7	4%	0.039	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	132.4	175.6	-66.3	-90.8	0	0	0	110.7	L47 I58 P59 S60 S74 I75 D82 Y86	L47-F62 HydrophobicContact CD1-CD1 4.03Å; L47-F62 HydrophobicContact CD1-CE1 4.08Å; I58-F62 HydrophobicContact CG2-CB 3.86Å; I58-F62 HydrophobicContact CG2-CD2 3.92Å; I58-F62 HydrophobicContact CG2-CG 4.06Å; P59-F62 HydrophobicContact CB-CD2 4.07Å; P59-F62 HydrophobicContact CB-CE2 4.29Å; P59-F62 HydrophobicContact CG-CD2 4.34Å; P59-F62 HydrophobicContact CG-CE2 4.22Å; P59-F62 PolarHBondContact O-N 3.49Å; S60-F62 PolarHBondContact O-N 2.76Å; F62-S74 WeakPolarHBondContact CA-O 3.36Å; F62-I75 HydrophobicContact CD1-CD1 4.1Å; F62-I75 HydrophobicContact CD1-CG1 3.73Å; F62-I75 HydrophobicContact CD1-CG2 4.3Å; F62-I75 HydrophobicContact CE1-CB 4.48Å; F62-I75 HydrophobicContact CE1-CD1 3.49Å; F62-I75 VanDerWaalsContact CE1-CD1 3.49Å; F62-I75 HydrophobicContact CE1-CG1 3.65Å; F62-I75 HydrophobicContact CE1-CG2 4.08Å; F62-I75 HydrophobicContact CZ-CD1 4.25Å; F62-I75 HydrophobicContact CZ-CG2 4.21Å; F62-D82 HydrophobicContact CZ-CB 4.43Å; F62-D82 VanDerWaalsContact CZ-OD1 3.24Å; F62-D82 WeakPolarHBondContact CZ-OD1 3.37Å; F62-Y86 AromaticContact CE1-CE1 3.99Å; F62-Y86 HydrophobicContact CE1-CE1 3.99Å
63	S	98.3	Very high	97.8	Very high	44 Å²	44	48.1 Å²	48.1	31%	0.308	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	138.7	173.7	60.8	0	0	0	0	110.6	S74	S63-S74 PolarHBondContact N-O 3.42Å; S63-S74 PolarHBondContact O-N 3.2Å
64	G	98.5	Very high	97.8	Very high	10 Å²	10	44 Å²	44	10%	0.103	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	151.6	169.2	0	0	0	0	0	111.7	A51 S52 T72	A51-G64 CarbonylContact O-C 3.55Å; A51-G64 WeakPolarHBondContact O-CA 3.38Å; S52-G64 WeakPolarHBondContact CA-O 3.42Å; S52-G64 WeakPolarHBondContact CB-O 3.27Å; G64-T72 CarbonylContact C-O 3.56Å; G64-T72 WeakPolarHBondContact CA-O 3.32Å
65	S	98.3	Very high	97.8	Very high	56 Å²	56	41.6 Å²	41.6	39%	0.392	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	162.1	174.1	60.4	0	0	0	0	111	A51 F71 T72	A51-S65 PolarHBondContact O-N 2.74Å; S65-F71 CarbonylContact O-C 3.53Å; S65-F71 WeakPolarHBondContact O-CA 3.28Å; S65-T72 PolarHBondContact N-O 2.82Å; S65-T72 PolarHBondContact O-N 3.4Å
66	G	97.9	Very high	97.8	Very high	38 Å²	38	42.6 Å²	42.6	39%	0.392	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	119.1	168.8	174.7	0	0	0	0	0	113.3	A51 D70	A51-G66 WeakPolarHBondContact CB-O 3.43Å; G66-D70 WeakPolarHBondContact CA-O 3.41Å
67	S	97.7	Very high	97.9	Very high	86 Å²	86	39.8 Å²	39.8	60%	0.601	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-165.1	163.7	-179.1	63.3	0	0	0	0	109.4	S30 S69 D70	S30-S67 CarbonylContact O-C 3.57Å; S30-S67 WeakPolarHBondContact O-CA 3.2Å; S67-S69 PolarHBondContact O-N 2.79Å; S67-D70 PolarHBondContact N-O 2.87Å
68	G	97.7	Very high	98	Very high	18 Å²	18	37.3 Å²	37.3	19%	0.186	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	-111.9	-176.4	0	0	0	0	0	109.8	S28 I29 S30 F71	S28-G68 WeakPolarHBondContact CA-O 3.21Å; S28-G68 WeakPolarHBondContact OG-CA 3.35Å; I29-G68 WeakPolarHBondContact CG1-O 3.37Å; I29-G68 PolarHBondContact N-O 3.04Å; S30-G68 PolarHBondContact O-N 3.05Å; G68-F71 WeakPolarHBondContact O-CE2 3.33Å; G68-F71 WeakPolarHBondContact O-CZ 3.4Å
69	S	98.1	Very high	98.1	Very high	40 Å²	40	40 Å²	40	28%	0.28	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-13.8	-177.4	47.8	0	0	0	0	114.4	R24 A25 S67	R24-S69 CarbonylContact C-O 3.56Å; R24-S69 VanDerWaalsContact CA-O 3.23Å; R24-S69 WeakPolarHBondContact CA-O 3.49Å; A25-S69 PolarHBondContact N-O 2.9Å; S67-S69 PolarHBondContact O-N 2.79Å
70	D	98.6	Very high	98	Very high	70 Å²	70	42.1 Å²	42.1	37%	0.374	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	125.1	-165.7	-67.9	-95.6	0	0	0	111.5	R24 G66 S67	R24-D70 IonicContact CZ-OD1 3.21Å; R24-D70 IonicContact NE-OD1 2.76Å; R24-D70 PolarHBondContact NE-OD1 3.37Å; R24-D70 IonicContact NH2-OD1 2.79Å; R24-D70 PolarHBondContact NH2-OD1 2.81Å; G66-D70 WeakPolarHBondContact CA-O 3.41Å; S67-D70 PolarHBondContact N-O 2.87Å
71	F	98.7	Very high	97.9	Very high	3 Å²	3	40.5 Å²	40.5	1%	0.013	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	155.8	-172.9	-55.3	-89	0	0	0	112.2	S22 C23 I29 S30 L33 A51 S65 G68	S22-F71 WeakPolarHBondContact CA-O 3.38Å; C23-F71 HydrophobicContact CB-CB 4.44Å; C23-F71 PolarHBondContact N-O 2.93Å; C23-F71 PolarHBondContact O-N 3.49Å; I29-F71 HydrophobicContact CD1-CE2 3.62Å; I29-F71 HydrophobicContact CD1-CZ 3.85Å; I29-F71 HydrophobicContact CG1-CE2 3.55Å; I29-F71 HydrophobicContact CG1-CZ 3.48Å; I29-F71 VanDerWaalsContact CG1-CZ 3.48Å; S30-F71 WeakPolarHBondContact O-CZ 3.41Å; L33-F71 HydrophobicContact CB-CD1 3.84Å; L33-F71 HydrophobicContact CB-CD2 4.41Å; L33-F71 HydrophobicContact CB-CE1 3.86Å; L33-F71 HydrophobicContact CB-CE2 4.43Å; L33-F71 HydrophobicContact CB-CG 4.12Å; L33-F71 HydrophobicContact CB-CZ 4.17Å; L33-F71 HydrophobicContact CD1-CB 4.21Å; L33-F71 HydrophobicContact CD1-CD1 4.41Å; L33-F71 HydrophobicContact CD1-CD2 3.63Å; L33-F71 HydrophobicContact CD1-CE2 4.07Å; L33-F71 HydrophobicContact CD1-CG 3.82Å; L33-F71 HydrophobicContact CD2-CB 3.47Å; L33-F71 VanDerWaalsContact CD2-CB 3.47Å; L33-F71 HydrophobicContact CD2-CD1 3.8Å; L33-F71 HydrophobicContact CD2-CD2 4.31Å; L33-F71 HydrophobicContact CD2-CG 3.59Å; L33-F71 HydrophobicContact CG-CB 4.35Å; L33-F71 HydrophobicContact CG-CD1 4.22Å; L33-F71 HydrophobicContact CG-CD2 4.31Å; L33-F71 HydrophobicContact CG-CG 4.03Å; A51-F71 HydrophobicContact CB-CD1 3.69Å; A51-F71 HydrophobicContact CB-CE1 3.7Å; S65-F71 CarbonylContact O-C 3.53Å; S65-F71 WeakPolarHBondContact O-CA 3.28Å; G68-F71 WeakPolarHBondContact O-CE2 3.33Å; G68-F71 WeakPolarHBondContact O-CZ 3.4Å
72	T	98.7	Very high	97.9	Very high	39 Å²	39	39.3 Å²	39.3	24%	0.239	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	132.5	179.8	-51.9	0	0	0	0	110.2	L21 G64 S65	L21-T72 CarbonylContact O-C 3.56Å; L21-T72 VanDerWaalsContact O-CA 3.25Å; L21-T72 WeakPolarHBondContact O-CA 3.01Å; G64-T72 CarbonylContact C-O 3.56Å; G64-T72 WeakPolarHBondContact CA-O 3.32Å; S65-T72 PolarHBondContact N-O 2.82Å; S65-T72 PolarHBondContact O-N 3.4Å
73	L	98.7	Very high	97.8	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	132.1	160.7	178.2	65.6	0	0	0	107.9	S20 L21 W35 L47 I48 Y86	S20-L73 CarbonylContact C-O 3.56Å; S20-L73 VanDerWaalsContact CA-O 3.26Å; S20-L73 WeakPolarHBondContact CA-O 3.26Å; L21-L73 HydrophobicContact CB-CB 4.39Å; L21-L73 HydrophobicContact CD1-CD2 4.36Å; L21-L73 PolarHBondContact N-O 3.21Å; L21-L73 PolarHBondContact O-N 3.29Å; W35-L73 HydrophobicContact CB-CD1 4.4Å; W35-L73 HydrophobicContact CB-CD2 4.44Å; W35-L73 HydrophobicContact CD2-CB 3.64Å; W35-L73 HydrophobicContact CD2-CD2 4.08Å; W35-L73 HydrophobicContact CD2-CG 4.32Å; W35-L73 VanDerWaalsContact CE2-CB 3.5Å; W35-L73 HydrophobicContact CE3-CB 3.99Å; W35-L73 HydrophobicContact CE3-CD2 3.93Å; W35-L73 HydrophobicContact CG-CB 4.09Å; W35-L73 HydrophobicContact CG-CD1 4.2Å; W35-L73 HydrophobicContact CG-CD2 4.31Å; W35-L73 HydrophobicContact CG-CG 4.45Å; W35-L73 HydrophobicContact CH2-CB 4.05Å; W35-L73 HydrophobicContact CZ2-CB 3.73Å; W35-L73 HydrophobicContact CZ3-CB 4.18Å; W35-L73 HydrophobicContact CZ3-CD2 4.47Å; L47-L73 HydrophobicContact CD1-CD2 4.42Å; I48-L73 HydrophobicContact CG1-CD1 4Å; L73-Y86 HydrophobicContact CD2-CD1 3.5Å; L73-Y86 VanDerWaalsContact CD2-CD1 3.5Å; L73-Y86 HydrophobicContact CD2-CE1 3.96Å; L73-Y86 HydrophobicContact CD2-CG 4.34Å
74	S	98.4	Very high	97.7	Very high	10 Å²	10	43.8 Å²	43.8	7%	0.07	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	142.9	172.6	-62.6	0	0	0	0	110.6	V19 S20 F62 S63	V19-S74 VanDerWaalsContact O-CA 3.3Å; V19-S74 WeakPolarHBondContact O-CA 3.23Å; S20-S74 PolarHBondContact OG-OG 2.87Å; F62-S74 WeakPolarHBondContact CA-O 3.36Å; S63-S74 PolarHBondContact N-O 3.42Å; S63-S74 PolarHBondContact O-N 3.2Å
75	I	98.4	Very high	97.7	Very high	7 Å²	7	46.9 Å²	46.9	4%	0.036	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	114.2	170.6	-42.4	175.4	0	0	0	106.9	R18 V19 R61 F62 V78 Y86	R18-I75 WeakPolarHBondContact CA-O 3.37Å; V19-I75 HydrophobicContact CG2-CB 3.64Å; V19-I75 HydrophobicContact CG2-CD1 3.76Å; V19-I75 HydrophobicContact CG2-CG1 3.75Å; V19-I75 PolarHBondContact N-O 2.95Å; V19-I75 VanDerWaalsContact N-O 3.09Å; V19-I75 PolarHBondContact O-N 2.82Å; R61-I75 HydrophobicContact CB-CG2 4.44Å; R61-I75 HydrophobicContact CG-CG2 4.23Å; R61-I75 CarbonylContact O-C 3.55Å; R61-I75 WeakPolarHBondContact O-CA 3.29Å; F62-I75 HydrophobicContact CD1-CD1 4.1Å; F62-I75 HydrophobicContact CD1-CG1 3.73Å; F62-I75 HydrophobicContact CD1-CG2 4.3Å; F62-I75 HydrophobicContact CE1-CB 4.48Å; F62-I75 HydrophobicContact CE1-CD1 3.49Å; F62-I75 VanDerWaalsContact CE1-CD1 3.49Å; F62-I75 HydrophobicContact CE1-CG1 3.65Å; F62-I75 HydrophobicContact CE1-CG2 4.08Å; F62-I75 HydrophobicContact CZ-CD1 4.25Å; F62-I75 HydrophobicContact CZ-CG2 4.21Å; I75-V78 HydrophobicContact CB-CG2 4.24Å; I75-V78 HydrophobicContact CG2-CG2 4.21Å; I75-Y86 HydrophobicContact CD1-CE1 4.22Å
76	N	97.4	Very high	97.7	Very high	65 Å²	65	45.5 Å²	45.5	35%	0.348	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	102.8	179.1	-64.3	-38.1	0	0	0	108.9	R18 R61	R18-N76 PolarHBondContact NE-OD1 3.06Å; R18-N76 VanDerWaalsContact NE-OD1 3.1Å; R61-N76 HydrophobicContact CB-CB 4.47Å; R61-N76 WeakPolarHBondContact CB-O 3.02Å; R61-N76 PolarHBondContact O-N 2.92Å
77	S	97.9	Very high	97.7	Very high	55 Å²	55	48.2 Å²	48.2	39%	0.385	29%	0.285	S	S	.	.	S	Bend	trans	70.8	90.7	-170.5	-175.8	0	0	0	0	112.4	D17 R61	D17-S77 CarbonylContact O-C 3.58Å; D17-S77 WeakPolarHBondContact O-CA 3.33Å; D17-S77 PolarHBondContact O-N 3.18Å; R61-S77 WeakPolarHBondContact CD-O 3.43Å
78	V	98.1	Very high	97.7	Very high	14 Å²	14	44.6 Å²	44.6	9%	0.085	26%	0.26	C	S	.	.			trans	-63.5	137.8	173.6	170.9	0	0	0	0	110.9	V13 P15 G16 D17 V19 I75 D82	V13-V78 HydrophobicContact CG2-CG1 3.94Å; V13-V78 HydrophobicContact CG2-CG2 4.39Å; P15-V78 CarbonylContact C-O 3.54Å; P15-V78 VanDerWaalsContact CA-O 3.31Å; P15-V78 WeakPolarHBondContact CA-O 3.47Å; G16-V78 PolarHBondContact N-O 2.86Å; D17-V78 WeakPolarHBondContact O-CG2 3.31Å; D17-V78 PolarHBondContact O-N 2.83Å; V19-V78 HydrophobicContact CB-CG2 4.28Å; V19-V78 HydrophobicContact CG1-CG2 3.7Å; V19-V78 HydrophobicContact CG2-CG2 3.56Å; I75-V78 HydrophobicContact CB-CG2 4.24Å; I75-V78 HydrophobicContact CG2-CG2 4.21Å; V78-D82 HydrophobicContact CG1-CB 4.19Å
79	E	98	Very high	97.6	Very high	74 Å²	74	46.9 Å²	46.9	35%	0.346	27%	0.265	S	S	.	.			trans	-114.2	158.6	173.8	-64.1	-179.7	169.5	0	0	111	R61 E81 D82	R61-E79 IonicContact CZ-OE2 2.79Å; R61-E79 IonicContact NE-OE2 3.44Å; R61-E79 VanDerWaalsContact NH1-CD 3.29Å; R61-E79 IonicContact NH1-OE1 3.62Å; R61-E79 IonicContact NH1-OE2 3.66Å; R61-E79 PolarHBondContact NH1-OE2 3.23Å; R61-E79 IonicContact NH2-OE2 3.86Å; R61-E79 PolarHBondContact NH2-OE2 3.28Å; E79-E81 VanDerWaalsContact CB-OE2 3.23Å; E79-E81 WeakPolarHBondContact CB-OE2 3.33Å; E79-E81 PolarHBondContact O-N 2.82Å; E79-E81 VanDerWaalsContact O-N 3.12Å; E79-D82 PolarHBondContact N-OD2 2.83Å; E79-D82 VanDerWaalsContact O-CB 3.28Å; E79-D82 WeakPolarHBondContact O-CB 3.04Å; E79-D82 PolarHBondContact O-N 2.01Å
80	P	96.2	Very high	97.5	Very high	96 Å²	96	46 Å²	46	62%	0.623	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-55.2	-30.4	-178.1	-27.8	36.5	0	0	0	114.5	P15 D82 V83	P15-P80 HydrophobicContact CG-CG 4.47Å; P80-D82 PolarHBondContact O-N 2.73Å; P80-V83 WeakPolarHBondContact O-CG2 3.48Å
81	E	95.3	Very high	97.2	Very high	83 Å²	83	43.5 Å²	43.5	39%	0.388	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-76.5	-5.8	177.4	75.7	-86.9	-162	0	0	114.4	K39 R61 E79 V83	K39-E81 WeakPolarHBondContact CE-O 3.41Å; K39-E81 PolarHBondContact NZ-O 3.28Å; R61-E81 IonicContact CZ-OE1 2.74Å; R61-E81 IonicContact NH1-OE1 3.31Å; R61-E81 IonicContact NH2-OE1 2.94Å; R61-E81 PolarHBondContact NH2-OE1 3.13Å; E79-E81 VanDerWaalsContact CB-OE2 3.23Å; E79-E81 WeakPolarHBondContact CB-OE2 3.33Å; E79-E81 PolarHBondContact O-N 2.82Å; E79-E81 VanDerWaalsContact O-N 3.12Å; E81-V83 PolarHBondContact O-N 2.93Å
82	D	96.6	Very high	96.8	Very high	8 Å²	8	47.7 Å²	47.7	4%	0.043	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-80.7	-7	178.6	-63.2	-24	0	0	0	112.3	Q37 R61 F62 V78 E79 P80 G84 Y86	Q37-D82 PolarHBondContact NE2-O 2.94Å; R61-D82 IonicContact CZ-OD1 3.19Å; R61-D82 IonicContact CZ-OD2 3.04Å; R61-D82 IonicContact NE-OD1 3.7Å; R61-D82 PolarHBondContact NE-OD1 2.85Å; R61-D82 IonicContact NE-OD2 3.71Å; R61-D82 PolarHBondContact NE-OD2 3.36Å; R61-D82 IonicContact NH2-OD1 3.92Å; R61-D82 PolarHBondContact NH2-OD1 2.85Å; R61-D82 IonicContact NH2-OD2 2.64Å; F62-D82 HydrophobicContact CZ-CB 4.43Å; F62-D82 VanDerWaalsContact CZ-OD1 3.24Å; F62-D82 WeakPolarHBondContact CZ-OD1 3.37Å; V78-D82 HydrophobicContact CG1-CB 4.19Å; E79-D82 PolarHBondContact N-OD2 2.83Å; E79-D82 VanDerWaalsContact O-CB 3.28Å; E79-D82 WeakPolarHBondContact O-CB 3.04Å; E79-D82 PolarHBondContact O-N 2.01Å; P80-D82 PolarHBondContact O-N 2.73Å; D82-G84 PolarHBondContact O-N 3.09Å; D82-Y86 WeakPolarHBondContact O-CE2 3.45Å; D82-Y86 PolarHBondContact O-OH 3.46Å
83	V	96.4	Very high	96.1	Very high	114 Å²	114	48.1 Å²	48.1	69%	0.691	27%	0.272	S	S	*	.			trans	-60.7	121.2	174.6	177.6	0	0	0	0	110	P80 E81	P80-V83 WeakPolarHBondContact O-CG2 3.48Å; E81-V83 PolarHBondContact O-N 2.93Å
84	G	96.7	Very high	95	Very high	32 Å²	32	55.8 Å²	55.8	33%	0.33	31%	0.306	S	S	.	.	S	Bend	trans	172.7	-179.9	179.4	0	0	0	0	0	111.6	Q38 D82	Q38-G84 CarbonylContact O-C 3.46Å; Q38-G84 VanDerWaalsContact O-CA 3.3Å; Q38-G84 WeakPolarHBondContact O-CA 3.46Å; D82-G84 PolarHBondContact O-N 3.09Å
85	V	97.6	Very high	93.3	Very high	76 Å²	76	64.1 Å²	64.1	46%	0.461	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	137.4	171.8	-168.7	0	0	0	0	108.8	Q37 Q38 Y87	Q37-V85 CarbonylContact C-O 3.56Å; Q37-V85 WeakPolarHBondContact CA-O 3.4Å; Q38-V85 PolarHBondContact N-O 2.92Å; Q38-V85 PolarHBondContact O-N 3.39Å; V85-Y87 HydrophobicContact CB-CE2 3.96Å; V85-Y87 HydrophobicContact CG1-CD1 4.38Å; V85-Y87 HydrophobicContact CG1-CE1 3.64Å; V85-Y87 HydrophobicContact CG1-CE2 3.8Å; V85-Y87 VanDerWaalsContact CG1-OH 3.3Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.24Å
86	Y	98.1	Very high	93.1	Very high	27 Å²	27	67 Å²	67	11%	0.106	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	135.5	179.1	-69.4	-98.1	0	0	0	110.1	Q6 L21 Y36 Q37 L47 F62 L73 I75 D82	Q6-Y86 PolarHBondContact NE2-O 2.84Å; L21-Y86 HydrophobicContact CD1-CD1 4.43Å; L21-Y86 HydrophobicContact CD1-CD2 4.1Å; L21-Y86 HydrophobicContact CD1-CG 3.79Å; Y36-Y86 VanDerWaalsContact O-CA 3.27Å; Y36-Y86 WeakPolarHBondContact O-CA 3.44Å; Q37-Y86 HydrophobicContact CB-CD1 4.14Å; Q37-Y86 HydrophobicContact CB-CE1 3.91Å; Q37-Y86 HydrophobicContact CG-CD1 4.42Å; Q37-Y86 HydrophobicContact CG-CE1 3.92Å; Q37-Y86 HydrophobicContact CG-CE2 4.43Å; Q37-Y86 PolarHBondContact NE2-OH 2.77Å; L47-Y86 HydrophobicContact CD1-CD1 3.92Å; L47-Y86 HydrophobicContact CD1-CE1 3.63Å; F62-Y86 AromaticContact CE1-CE1 3.99Å; F62-Y86 HydrophobicContact CE1-CE1 3.99Å; L73-Y86 HydrophobicContact CD2-CD1 3.5Å; L73-Y86 VanDerWaalsContact CD2-CD1 3.5Å; L73-Y86 HydrophobicContact CD2-CE1 3.96Å; L73-Y86 HydrophobicContact CD2-CG 4.34Å; I75-Y86 HydrophobicContact CD1-CE1 4.22Å; D82-Y86 WeakPolarHBondContact O-CE2 3.45Å; D82-Y86 PolarHBondContact O-OH 3.46Å
87	Y	97.8	Very high	92.8	Very high	94 Å²	94	67.1 Å²	67.1	37%	0.369	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	135	-178.5	-54.9	-77.9	0	0	0	110.4	W35 Y36 Q38 V85	W35-Y87 CarbonylContact C-O 3.51Å; W35-Y87 WeakPolarHBondContact CA-O 3.11Å; Y36-Y87 PolarHBondContact N-O 2.76Å; Y36-Y87 PolarHBondContact O-N 3.44Å; Q38-Y87 HydrophobicContact CB-CD2 4.5Å; Q38-Y87 HydrophobicContact CB-CE2 3.82Å; Q38-Y87 PolarHBondContact OE1-OH 2.89Å; V85-Y87 HydrophobicContact CB-CE2 3.96Å; V85-Y87 HydrophobicContact CG1-CD1 4.38Å; V85-Y87 HydrophobicContact CG1-CE1 3.64Å; V85-Y87 HydrophobicContact CG1-CE2 3.8Å; V85-Y87 VanDerWaalsContact CG1-OH 3.3Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.24Å
88	C	97.6	Very high	92.5	Very high	11 Å²	11	67.7 Å²	67.7	7%	0.074	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	138.2	163.2	67.2	0	0	0	0	110	Q6 C23 L33 H34 W35	Q6-C88 VanDerWaalsContact CD-SG 3.59Å; Q6-C88 WeakPolarHBondContact CG-SG 3.38Å; Q6-C88 PolarHBondContact OE1-SG 3.2Å; C23-C88 HydrophobicContact CB-CB 3.54Å; C23-C88 WeakPolarHBondContact CB-SG 3.09Å; C23-C88 WeakPolarHBondContact SG-CB 3.31Å; C23-C88 CovalentContact SG-SG 2.01Å; C23-C88 PolarHBondContact SG-SG 3.03Å; L33-C88 HydrophobicContact CD1-CB 4.04Å; L33-C88 HydrophobicContact CG-CB 4.42Å; H34-C88 CarbonylContact O-C 3.56Å; H34-C88 VanDerWaalsContact O-CA 3.32Å; H34-C88 WeakPolarHBondContact O-CA 3.45Å; W35-C88 HydrophobicContact CD2-CB 4.1Å; W35-C88 HydrophobicContact CE3-CB 3.83Å; W35-C88 HydrophobicContact CH2-CB 3.9Å; W35-C88 HydrophobicContact CZ2-CB 4.13Å; W35-C88 HydrophobicContact CZ3-CB 3.73Å
89	Q	96.5	Very high	92.2	Very high	65 Å²	65	70.9 Å²	70.9	30%	0.304	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	136.2	178.8	175.2	-100.7	-26.8	0	0	109.7	L33 H34 Y36	L33-Q89 WeakPolarHBondContact CA-O 3.24Å; H34-Q89 PolarHBondContact CD2-OE1 2.74Å; H34-Q89 PolarHBondContact N-O 2.79Å; H34-Q89 PolarHBondContact O-N 2.91Å; Y36-Q89 HydrophobicContact CE2-CB 4.04Å
90	N	95.5	Very high	91.9	Very high	23 Å²	23	70.7 Å²	70.7	12%	0.123	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	129.6	172.6	80.9	92.1	0	0	0	110	I2 M4 I29 Y32 S93	I2-N90 HydrophobicContact CG2-CB 4.16Å; M4-N90 HydrophobicContact CE-CB 4.1Å; M4-N90 HydrophobicContact CG-CB 4.48Å; M4-N90 HydrophobicContact SD-CB 3.78Å; I29-N90 HydrophobicContact CD1-CB 3.73Å; I29-N90 HydrophobicContact CG2-CB 4.24Å; Y32-N90 CarbonylContact O-C 3.55Å; Y32-N90 WeakPolarHBondContact O-CA 3.44Å; N90-S93 PolarHBondContact OD1-O 3.34Å
91	G	93.3	Very high	91.6	Very high	16 Å²	16	69 Å²	69	17%	0.165	38%	0.381	C	S	.	.			trans	-103.7	10.6	173.3	0	0	0	0	0	113.6	Y32	Y32-G91 PolarHBondContact O-N 3.02Å
92	H	89.4	Confident	91.3	Very high	92 Å²	92	68 Å²	68	43%	0.426	38%	0.381	S	S	.	.	S	Bend	trans	-77.2	-38.5	-175	-174.8	57.7	0	0	0	112.8	I2 I29 Y32	I2-H92 HydrophobicContact CD1-CB 4.38Å; I29-H92 HydrophobicContact CB-CB 3.76Å; I29-H92 HydrophobicContact CG2-CB 4Å; Y32-H92 HydrophobicContact CD2-CB 4.15Å; Y32-H92 AromaticContact CD2-ND1 3.45Å; Y32-H92 WeakPolarHBondContact CD2-ND1 3.3Å; Y32-H92 AromaticContact CE2-ND1 3.79Å; Y32-H92 HydrophobicContact CG-CB 4.31Å
93	S	83.5	Confident	90.9	Very high	48 Å²	48	72.6 Å²	72.6	34%	0.336	41%	0.407	S	S	.	.			trans	-143.7	140.4	177.8	61.1	0	0	0	0	109.9	I2 N90	I2-S93 WeakPolarHBondContact CD1-OG 3.31Å; N90-S93 PolarHBondContact OD1-O 3.34Å
94	F	76.5	Confident	90.4	Very high	162 Å²	162	69.2 Å²	69.2	71%	0.711	38%	0.383	S	S	*	.			trans	-97	148.9	168.9	-54.1	-78.5	0	0	0	108.7
95	P	62.8	Low	89.9	Confident	184 Å²	184	72.5 Å²	72.5	100%	1.195	39%	0.388	S	S	*	.			trans	-53.1	0	171.2	-22.9	32.8	0	0	0	113.1

Retrieved 95 of 95 residues in 63.9 ms (Link to these results)

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