A0A096MV46_PAPAN Loading...

Immunoglobulin kappa variable 6D-41 (non-functional)

AlphaFold DB , UniProt , Accession A0A096MV46, Species PAPAN (Papio anubis, Olive baboon), Gene IGKV6D-41, Length 111 aa.

						>A0A096MV46_PAPAN|A0A096MV46|IGKV6D-41
MVSASRGDIVMTQSPAFVSVTPGEKVTITCQASEGISNYLHWYQQKPDQAPKLFIQYASQSISGVPSRFTGSGSGTDFTFTISSLEVEDAATYYCQQGNKHPHTATTQNKN
					

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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	M	35.3	Very low	67.8	Low	240 Å²	240	102.4 Å²	102.4	100%	1.182	60%	0.597	S	S	*	*				0	102.7	0	-73.4	178.1	-88.8	0	0	107.5	S3	M1-S3 PolarHBondContact O-N 3.09Å
2	V	41.2	Very low	70.2	Confident	143 Å²	143	100.8 Å²	100.8	87%	0.867	59%	0.59	S	S	*	*			trans	-80.7	102.5	171.5	178.3	0	0	0	0	106	A4	V2-A4 VanDerWaalsContact C-N 3.31Å; V2-A4 PolarHBondContact O-N 3.08Å
3	S	47.8	Very low	72.2	Confident	119 Å²	119	96.3 Å²	96.3	83%	0.832	56%	0.56	S	S	*	*			trans	-70.8	95.4	168.9	-164.7	0	0	0	0	106.7	M1 S5	M1-S3 PolarHBondContact O-N 3.09Å; S3-S5 VanDerWaalsContact C-N 3.34Å; S3-S5 PolarHBondContact O-N 3.04Å
4	A	50.5	Low	73.9	Confident	73 Å²	73	94.1 Å²	94.1	60%	0.603	55%	0.553	S	S	*	*			trans	-69.1	98	170.7	0	0	0	0	0	107.5	V2 R6	V2-A4 VanDerWaalsContact C-N 3.31Å; V2-A4 PolarHBondContact O-N 3.08Å; A4-R6 PolarHBondContact O-N 3.33Å
5	S	58.2	Low	75.3	Confident	115 Å²	115	90.9 Å²	90.9	80%	0.804	54%	0.536	S	S	*	.			trans	-60.2	91.4	160.5	166.4	0	0	0	0	107.4	S3 G7	S3-S5 VanDerWaalsContact C-N 3.34Å; S3-S5 PolarHBondContact O-N 3.04Å; S5-G7 PolarHBondContact O-N 3.41Å; S5-G7 VanDerWaalsContact O-N 3.12Å
6	R	66.1	Low	76.2	Confident	194 Å²	194	90.8 Å²	90.8	73%	0.732	55%	0.549	S	S	*	.			trans	-70.6	106.6	176.4	-68.5	-176.4	173.4	-152.7	-1	107.8	A4 K100	A4-R6 PolarHBondContact O-N 3.33Å; R6-K100 PolarHBondContact O-NZ 2.98Å
7	G	75.3	Confident	77.1	Confident	40 Å²	40	95.8 Å²	95.8	41%	0.412	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-56.9	166.6	177.5	0	0	0	0	0	113.7	S5 K100	S5-G7 PolarHBondContact O-N 3.41Å; S5-G7 VanDerWaalsContact O-N 3.12Å; G7-K100 PolarHBondContact O-NZ 2.72Å
8	D	88.2	Confident	78	Confident	98 Å²	98	94.4 Å²	94.4	52%	0.524	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-69.5	145.4	176.3	-67.5	-16.5	0	0	0	110.6	V10 P102 T104	D8-V10 PolarHBondContact O-N 2.91Å; D8-P102 HydrophobicContact CB-CG 4.42Å; D8-P102 WeakPolarHBondContact OD1-CD 3.14Å; D8-P102 WeakPolarHBondContact OD1-CG 3.33Å; D8-T104 HydrophobicContact CB-CG2 4.32Å
9	I	93.4	Very high	78.8	Confident	3 Å²	3	95.2 Å²	95.2	2%	0.015	57%	0.566	C	S	.	*	P	Polyproline II helix	trans	-72.3	121.8	177.5	-60.4	-177.6	0	0	0	108	M11 A32 I36 Q97 K100 T104	I9-M11 HydrophobicContact CG2-SD 3.94Å; I9-A32 HydrophobicContact CG2-CB 4.05Å; I9-I36 HydrophobicContact CD1-CG2 3.55Å; I9-I36 HydrophobicContact CG2-CG2 4.18Å; I9-Q97 HydrophobicContact CB-CG 4.1Å; I9-Q97 HydrophobicContact CD1-CG 4.46Å; I9-Q97 HydrophobicContact CG2-CG 4.03Å; I9-K100 HydrophobicContact CD1-CB 3.82Å; I9-K100 HydrophobicContact CD1-CD 4.43Å; I9-K100 HydrophobicContact CG1-CB 4.48Å; I9-K100 HydrophobicContact CG1-CD 4.41Å; I9-T104 WeakPolarHBondContact O-CB 3.26Å; I9-T104 WeakPolarHBondContact O-CG2 3.46Å; I9-T104 PolarHBondContact O-OG1 3.19Å
10	V	94.8	Very high	79.5	Confident	88 Å²	88	92.3 Å²	92.3	53%	0.533	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-88.8	133.7	177.3	-178.2	0	0	0	0	108.9	D8 A32 S33	D8-V10 PolarHBondContact O-N 2.91Å; V10-A32 WeakPolarHBondContact O-CA 3.4Å; V10-S33 PolarHBondContact N-OG 2.87Å; V10-S33 PolarHBondContact O-N 2.75Å
11	M	95.6	Very high	80.3	Confident	13 Å²	13	91.8 Å²	91.8	6%	0.064	55%	0.546	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	128	177.7	-55.2	-60.1	-59.8	0	0	109.6	I9 C30 Q31 A32 I36 L40 Q97 T106	I9-M11 HydrophobicContact CG2-SD 3.94Å; M11-C30 WeakPolarHBondContact CE-SG 3.07Å; M11-Q31 WeakPolarHBondContact CA-O 3.43Å; M11-A32 HydrophobicContact CE-CB 4.07Å; M11-A32 HydrophobicContact SD-CB 3.77Å; M11-I36 HydrophobicContact CE-CD1 4.31Å; M11-L40 HydrophobicContact CE-CD1 3.8Å; M11-Q97 HydrophobicContact CE-CB 4.34Å; M11-Q97 HydrophobicContact CG-CG 4.35Å; M11-Q97 HydrophobicContact SD-CB 3.74Å; M11-Q97 HydrophobicContact SD-CG 3.78Å; M11-T106 HydrophobicContact CB-CG2 3.67Å; M11-T106 WeakPolarHBondContact O-CG2 3.26Å
12	T	96.6	Very high	83.2	Confident	83 Å²	83	84.6 Å²	84.6	51%	0.509	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	131.1	-179.8	-56.2	0	0	0	0	109.9	C30 Q31	T12-C30 CarbonylContact O-C 3.59Å; T12-C30 WeakPolarHBondContact O-CA 2.78Å; T12-Q31 PolarHBondContact N-O 2.79Å; T12-Q31 PolarHBondContact O-N 2.82Å
13	Q	96.3	Very high	85.8	Confident	43 Å²	43	80 Å²	80	20%	0.201	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	146.8	179.4	-155.7	166	-91.4	0	0	112.2	I28 T29 Y93 Y94 T106	Q13-I28 HydrophobicContact CG-CG2 3.44Å; Q13-I28 VanDerWaalsContact CG-CG2 3.44Å; Q13-T29 VanDerWaalsContact CA-O 3.31Å; Q13-T29 WeakPolarHBondContact CA-O 3.46Å; Q13-T29 VanDerWaalsContact CG-O 3.25Å; Q13-T29 WeakPolarHBondContact CG-O 3.32Å; Q13-Y93 PolarHBondContact NE2-O 3.01Å; Q13-Y94 VanDerWaalsContact OE1-CA 3.31Å; Q13-T106 HydrophobicContact CB-CG2 3.75Å; Q13-T106 PolarHBondContact OE1-OG1 3.18Å
14	S	95.7	Very high	88.1	Confident	66 Å²	66	78.9 Å²	78.9	46%	0.462	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	143.9	169.1	-172.3	0	0	0	0	111.7	I28 T29	S14-I28 CarbonylContact O-C 3.57Å; S14-I28 WeakPolarHBondContact O-CA 3.48Å; S14-T29 PolarHBondContact N-O 2.64Å; S14-T29 PolarHBondContact O-N 2.8Å; S14-T29 PolarHBondContact O-OG1 2.8Å
15	P	94.9	Very high	90.3	Very high	45 Å²	45	82.1 Å²	82.1	29%	0.292	48%	0.481	S	S	.	.			cis	-71	158.2	-11.9	31.7	-34.9	0	0	0	111.5	F17 V18	P15-F17 VanDerWaalsContact C-N 3.33Å; P15-V18 HydrophobicContact CG-CB 3.94Å; P15-V18 HydrophobicContact CG-CG1 4.31Å
16	A	89.4	Confident	92.2	Very high	90 Å²	90	77.2 Å²	77.2	74%	0.744	45%	0.446	S	S	*	.	S	Bend	trans	-70.3	-32.4	174.4	0	0	0	0	0	112.3
17	F	92.1	Very high	93.7	Very high	175 Å²	175	70.8 Å²	70.8	77%	0.768	43%	0.428	S	S	*	.			trans	-149.8	144.9	175.4	178.4	-96.5	0	0	0	109.2	P15	P15-F17 VanDerWaalsContact C-N 3.33Å
18	V	92.5	Very high	94.8	Very high	71 Å²	71	69.5 Å²	69.5	43%	0.43	41%	0.412	S	S	.	.			trans	-146.3	137.6	174.4	68.7	0	0	0	0	109.2	P15 V20 V26	P15-V18 HydrophobicContact CG-CB 3.94Å; P15-V18 HydrophobicContact CG-CG1 4.31Å; V18-V20 HydrophobicContact CB-CG2 4.17Å; V18-V20 HydrophobicContact CG1-CG2 3.86Å; V18-V20 HydrophobicContact CG2-CG2 3.42Å; V18-V20 VanDerWaalsContact CG2-CG2 3.42Å; V18-V26 HydrophobicContact CG1-CG1 4.2Å
19	S	94	Very high	95.2	Very high	110 Å²	110	67.8 Å²	67.8	77%	0.769	41%	0.405	S	S	*	.			trans	-106.7	122.4	169.8	-177.6	0	0	0	0	107.8
20	V	92.3	Very high	95.4	Very high	37 Å²	37	67.8 Å²	67.8	22%	0.224	41%	0.405	C	S	.	.			trans	-137.5	145.5	-169.3	-178.5	0	0	0	0	108.5	V18 E24 V26 L85	V18-V20 HydrophobicContact CB-CG2 4.17Å; V18-V20 HydrophobicContact CG1-CG2 3.86Å; V18-V20 HydrophobicContact CG2-CG2 3.42Å; V18-V20 VanDerWaalsContact CG2-CG2 3.42Å; V20-E24 HydrophobicContact CG1-CB 3.45Å; V20-E24 VanDerWaalsContact CG1-CB 3.45Å; V20-E24 HydrophobicContact CG1-CG 4.38Å; V20-E24 WeakPolarHBondContact CG1-OE2 3.25Å; V20-V26 HydrophobicContact CB-CG2 4.14Å; V20-V26 HydrophobicContact CG1-CG2 3.85Å; V20-V26 HydrophobicContact CG2-CG2 3.96Å; V20-L85 HydrophobicContact CB-CD2 3.75Å; V20-L85 HydrophobicContact CG1-CD2 3.88Å
21	T	95.4	Very high	95.6	Very high	82 Å²	82	68.5 Å²	68.5	50%	0.503	40%	0.402	S	S	.	.			trans	-83.9	149.7	178.3	60.3	0	0	0	0	111.4	G23 E24	T21-G23 PolarHBondContact O-N 3.32Å; T21-E24 PolarHBondContact N-OE2 3.37Å; T21-E24 WeakPolarHBondContact O-CB 3.42Å; T21-E24 PolarHBondContact O-N 2.94Å; T21-E24 VanDerWaalsContact O-N 3.17Å; T21-E24 WeakPolarHBondContact OG1-CG 3.29Å; T21-E24 PolarHBondContact OG1-OE2 3.2Å
22	P	96.3	Very high	95.7	Very high	89 Å²	89	68 Å²	68	58%	0.578	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	137.8	175.5	-25.9	35.1	0	0	0	112.1	L85 V87	P22-L85 CarbonylContact C-O 3.6Å; P22-L85 VanDerWaalsContact CA-O 3.27Å; P22-L85 WeakPolarHBondContact CA-O 3.32Å; P22-V87 HydrophobicContact CG-CG2 3.87Å
23	G	95.8	Very high	95.7	Very high	45 Å²	45	67.3 Å²	67.3	46%	0.464	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.1	-15.7	-175.8	0	0	0	0	0	114.6	T21 L85	T21-G23 PolarHBondContact O-N 3.32Å; G23-L85 PolarHBondContact N-O 3.48Å
24	E	97.2	Very high	95.7	Very high	97 Å²	97	69.5 Å²	69.5	45%	0.453	41%	0.409	S	S	.	.			trans	-78.7	154.5	176.1	-70.7	-178	135.3	0	0	112.2	V20 T21 L85	V20-E24 HydrophobicContact CG1-CB 3.45Å; V20-E24 VanDerWaalsContact CG1-CB 3.45Å; V20-E24 HydrophobicContact CG1-CG 4.38Å; V20-E24 WeakPolarHBondContact CG1-OE2 3.25Å; T21-E24 PolarHBondContact N-OE2 3.37Å; T21-E24 WeakPolarHBondContact O-CB 3.42Å; T21-E24 PolarHBondContact O-N 2.94Å; T21-E24 VanDerWaalsContact O-N 3.17Å; T21-E24 WeakPolarHBondContact OG1-CG 3.29Å; T21-E24 PolarHBondContact OG1-OE2 3.2Å; E24-L85 WeakPolarHBondContact O-CB 3.25Å; E24-L85 PolarHBondContact O-N 2.89Å
25	K	97.2	Very high	95.7	Very high	141 Å²	141	68.7 Å²	68.7	61%	0.613	41%	0.412	S	S	*	.			trans	-82.2	130.7	176.2	179.2	-175.4	175.7	-175.4	0	110.2	T81 I82	K25-T81 HydrophobicContact CD-CG2 4.31Å; K25-T81 VanDerWaalsContact CE-CG2 3.4Å; K25-T81 HydrophobicContact CG-CG2 4.07Å; K25-I82 CarbonylContact C-O 3.24Å; K25-I82 VanDerWaalsContact CA-O 3.32Å; K25-I82 WeakPolarHBondContact CA-O 3Å
26	V	97.2	Very high	95.9	Very high	11 Å²	11	66.6 Å²	66.6	7%	0.067	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	140.5	171.3	-174.7	0	0	0	0	109.6	V18 V20 I28 T81 I82 L85	V18-V26 HydrophobicContact CG1-CG1 4.2Å; V20-V26 HydrophobicContact CB-CG2 4.14Å; V20-V26 HydrophobicContact CG1-CG2 3.85Å; V20-V26 HydrophobicContact CG2-CG2 3.96Å; V26-I28 HydrophobicContact CG1-CG1 4.21Å; V26-T81 VanDerWaalsContact O-CA 3.29Å; V26-T81 WeakPolarHBondContact O-CA 3.33Å; V26-I82 HydrophobicContact CB-CB 4.2Å; V26-I82 HydrophobicContact CB-CD1 4.41Å; V26-I82 HydrophobicContact CB-CG1 4.42Å; V26-I82 PolarHBondContact N-O 2.84Å; V26-I82 PolarHBondContact O-N 2.84Å; V26-L85 HydrophobicContact CG2-CB 4.27Å; V26-L85 HydrophobicContact CG2-CD1 4.13Å; V26-L85 HydrophobicContact CG2-CD2 4.09Å; V26-L85 HydrophobicContact CG2-CG 4.41Å
27	T	97.8	Very high	96.2	Very high	59 Å²	59	65.4 Å²	65.4	36%	0.362	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	124.7	172.2	-59.1	0	0	0	0	109.2	F80	T27-F80 CarbonylContact C-O 3.57Å; T27-F80 WeakPolarHBondContact CA-O 3.19Å
28	I	97.3	Very high	96.5	Very high	13 Å²	13	59.6 Å²	59.6	7%	0.067	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.8	177.2	-59.1	-179.5	0	0	0	107	Q13 S14 V26 W42 T79 F80 Y93	Q13-I28 HydrophobicContact CG-CG2 3.44Å; Q13-I28 VanDerWaalsContact CG-CG2 3.44Å; S14-I28 CarbonylContact O-C 3.57Å; S14-I28 WeakPolarHBondContact O-CA 3.48Å; V26-I28 HydrophobicContact CG1-CG1 4.21Å; I28-W42 HydrophobicContact CG2-CH2 4.16Å; I28-W42 HydrophobicContact CG2-CZ3 3.97Å; I28-T79 CarbonylContact O-C 3.18Å; I28-T79 WeakPolarHBondContact O-CA 3.4Å; I28-F80 HydrophobicContact CB-CD1 4.12Å; I28-F80 HydrophobicContact CD1-CD1 3.94Å; I28-F80 HydrophobicContact CD1-CE1 4.13Å; I28-F80 HydrophobicContact CG1-CD1 4.25Å; I28-F80 PolarHBondContact N-O 2.89Å; I28-F80 PolarHBondContact O-N 3.41Å; I28-Y93 HydrophobicContact CD1-CD2 4.18Å; I28-Y93 HydrophobicContact CD1-CG 4.15Å
29	T	98.2	Very high	96.8	Very high	63 Å²	63	61 Å²	61	39%	0.387	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	146.1	174.3	66.6	0	0	0	0	109.9	Q13 S14 F78 T79	Q13-T29 VanDerWaalsContact CA-O 3.31Å; Q13-T29 WeakPolarHBondContact CA-O 3.46Å; Q13-T29 VanDerWaalsContact CG-O 3.25Å; Q13-T29 WeakPolarHBondContact CG-O 3.32Å; S14-T29 PolarHBondContact N-O 2.64Å; S14-T29 PolarHBondContact O-N 2.8Å; S14-T29 PolarHBondContact O-OG1 2.8Å; T29-F78 CarbonylContact C-O 3.57Å; T29-F78 WeakPolarHBondContact CA-O 3.28Å; T29-T79 HydrophobicContact CG2-CG2 4.18Å
30	C	97.9	Very high	97	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.014	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	126.3	173.1	177.9	0	0	0	0	109.2	M11 T12 L40 W42 F78 C95	M11-C30 WeakPolarHBondContact CE-SG 3.07Å; T12-C30 CarbonylContact O-C 3.59Å; T12-C30 WeakPolarHBondContact O-CA 2.78Å; C30-L40 HydrophobicContact CB-CD1 4.34Å; C30-W42 HydrophobicContact CB-CH2 3.46Å; C30-W42 VanDerWaalsContact CB-CH2 3.46Å; C30-W42 HydrophobicContact CB-CZ2 3.91Å; C30-W42 HydrophobicContact CB-CZ3 4.23Å; C30-F78 HydrophobicContact CB-CB 4.38Å; C30-F78 PolarHBondContact N-O 3.49Å; C30-F78 WeakPolarHBondContact O-CB 3.36Å; C30-F78 PolarHBondContact O-N 3.08Å; C30-C95 HydrophobicContact CB-CB 3.65Å; C30-C95 WeakPolarHBondContact CB-SG 3.12Å; C30-C95 WeakPolarHBondContact SG-CB 3.48Å; C30-C95 CovalentContact SG-SG 2.01Å; C30-C95 PolarHBondContact SG-SG 2.94Å
31	Q	98.1	Very high	97.3	Very high	103 Å²	103	55.1 Å²	55.1	48%	0.481	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	128.8	-178.2	-166.5	177.9	12.7	0	0	110.3	M11 T12 T76	M11-Q31 WeakPolarHBondContact CA-O 3.43Å; T12-Q31 PolarHBondContact N-O 2.79Å; T12-Q31 PolarHBondContact O-N 2.82Å; Q31-T76 CarbonylContact C-O 3.47Å; Q31-T76 VanDerWaalsContact CA-O 3.26Å; Q31-T76 WeakPolarHBondContact CA-O 3.48Å
32	A	97.1	Very high	97.4	Very high	3 Å²	3	51.2 Å²	51.2	3%	0.025	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	143.4	171.3	0	0	0	0	0	110.2	I9 V10 M11 E34 I36 T76	I9-A32 HydrophobicContact CG2-CB 4.05Å; V10-A32 WeakPolarHBondContact O-CA 3.4Å; M11-A32 HydrophobicContact CE-CB 4.07Å; M11-A32 HydrophobicContact SD-CB 3.77Å; A32-E34 WeakPolarHBondContact CB-O 3.35Å; A32-E34 PolarHBondContact O-N 3.16Å; A32-I36 HydrophobicContact CB-CD1 4.02Å; A32-I36 HydrophobicContact CB-CG1 4.23Å; A32-I36 HydrophobicContact CB-CG2 4.17Å; A32-T76 PolarHBondContact N-O 2.96Å
33	S	96.6	Very high	97.4	Very high	69 Å²	69	48.9 Å²	48.9	48%	0.483	27%	0.274	S	S	.	.	S	Bend	trans	-67	-18	177.4	63.2	0	0	0	0	114	V10	V10-S33 PolarHBondContact N-OG 2.87Å; V10-S33 PolarHBondContact O-N 2.75Å
34	E	95.8	Very high	97.4	Very high	88 Å²	88	48.3 Å²	48.3	41%	0.411	26%	0.259	S	S	.	.	S	Bend	trans	-141	161.6	178.4	-64.5	-177	-150.8	0	0	109.8	A32 I36	A32-E34 WeakPolarHBondContact CB-O 3.35Å; A32-E34 PolarHBondContact O-N 3.16Å; E34-I36 PolarHBondContact O-N 3.4Å
35	G	97.1	Very high	97.4	Very high	50 Å²	50	45.9 Å²	45.9	52%	0.515	25%	0.247	S	C	.	.			trans	-67.2	120.4	179.6	0	0	0	0	0	112.9	G75	G35-G75 WeakPolarHBondContact CA-O 3.41Å
36	I	97.5	Very high	97.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.231	C	C	.	.			trans	-110.4	20	-179.4	63.1	173.7	0	0	0	113.4	I9 M11 A32 E34 N38 Y39 L40 G75 F78 Q97 N99	I9-I36 HydrophobicContact CD1-CG2 3.55Å; I9-I36 HydrophobicContact CG2-CG2 4.18Å; M11-I36 HydrophobicContact CE-CD1 4.31Å; A32-I36 HydrophobicContact CB-CD1 4.02Å; A32-I36 HydrophobicContact CB-CG1 4.23Å; A32-I36 HydrophobicContact CB-CG2 4.17Å; E34-I36 PolarHBondContact O-N 3.4Å; I36-N38 PolarHBondContact O-N 2.83Å; I36-Y39 WeakPolarHBondContact O-CB 3.43Å; I36-Y39 PolarHBondContact O-N 2.89Å; I36-L40 HydrophobicContact CD1-CB 4.08Å; I36-L40 HydrophobicContact CD1-CD1 4.16Å; I36-G75 WeakPolarHBondContact CG1-O 3.4Å; I36-G75 PolarHBondContact N-O 2.78Å; I36-F78 HydrophobicContact CD1-CE2 3.62Å; I36-F78 HydrophobicContact CD1-CZ 3.74Å; I36-F78 HydrophobicContact CG1-CE2 3.6Å; I36-F78 HydrophobicContact CG1-CZ 3.44Å; I36-F78 VanDerWaalsContact CG1-CZ 3.44Å; I36-Q97 HydrophobicContact CD1-CB 3.6Å; I36-Q97 HydrophobicContact CG2-CB 4.13Å; I36-N99 HydrophobicContact CB-CB 3.67Å; I36-N99 HydrophobicContact CG2-CB 3.84Å
37	S	97.7	Very high	97.1	Very high	65 Å²	65	46.5 Å²	46.5	46%	0.455	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	-120.2	-171.8	-174.2	0	0	0	0	110	S74 G75 F78	S37-S74 CarbonylContact O-C 3.57Å; S37-S74 VanDerWaalsContact O-CA 3.29Å; S37-S74 WeakPolarHBondContact O-CA 3.27Å; S37-G75 PolarHBondContact O-N 2.98Å; S37-F78 WeakPolarHBondContact O-CZ 3.41Å
38	N	97.8	Very high	96.8	Very high	54 Å²	54	52 Å²	52	29%	0.289	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	13.2	171	68.3	-30.3	0	0	0	112.6	I36 L40 Y57 A58	I36-N38 PolarHBondContact O-N 2.83Å; N38-L40 PolarHBondContact O-N 3.17Å; N38-Y57 CarbonylContact O-C 3.55Å; N38-Y57 WeakPolarHBondContact O-CA 3.25Å; N38-A58 HydrophobicContact CB-CB 4.25Å; N38-A58 PolarHBondContact O-N 3.08Å
39	Y	97.8	Very high	96.6	Very high	99 Å²	99	56.8 Å²	56.8	39%	0.388	31%	0.309	S	S	.	.			trans	-74.9	60.7	-179.7	-65.9	-78.1	0	0	0	111.5	I36 Y57 Q97 G98 N99	I36-Y39 WeakPolarHBondContact O-CB 3.43Å; I36-Y39 PolarHBondContact O-N 2.89Å; Y39-Y57 HydrophobicContact CD1-CD1 4.08Å; Y39-Y57 AromaticContact CD1-CE1 3.76Å; Y39-Y57 HydrophobicContact CD1-CE1 3.76Å; Y39-Y57 HydrophobicContact CE1-CD1 4.4Å; Y39-Y57 AromaticContact CE1-CE1 3.85Å; Y39-Y57 HydrophobicContact CE1-CE1 3.85Å; Y39-Q97 CarbonylContact O-C 3.56Å; Y39-Q97 WeakPolarHBondContact O-CA 3.33Å; Y39-G98 PolarHBondContact O-N 3.12Å; Y39-N99 HydrophobicContact CD2-CB 4.26Å; Y39-N99 HydrophobicContact CG-CB 4.44Å
40	L	98.3	Very high	96.3	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	139.4	173.5	-173.7	139.2	0	0	0	110.3	M11 C30 I36 N38 W42 Y57 A58 F78 C95 Q96	M11-L40 HydrophobicContact CE-CD1 3.8Å; C30-L40 HydrophobicContact CB-CD1 4.34Å; I36-L40 HydrophobicContact CD1-CB 4.08Å; I36-L40 HydrophobicContact CD1-CD1 4.16Å; N38-L40 PolarHBondContact O-N 3.17Å; L40-W42 HydrophobicContact CD2-CD2 4.04Å; L40-W42 VanDerWaalsContact CD2-CE2 3.5Å; L40-W42 HydrophobicContact CD2-CG 4.08Å; L40-W42 HydrophobicContact CD2-CZ2 4.06Å; L40-Y57 PolarHBondContact O-N 3.39Å; L40-A58 PolarHBondContact O-N 3.42Å; L40-F78 HydrophobicContact CB-CD1 3.96Å; L40-F78 HydrophobicContact CB-CE1 3.92Å; L40-F78 HydrophobicContact CB-CG 4.34Å; L40-F78 HydrophobicContact CB-CZ 4.29Å; L40-F78 HydrophobicContact CD1-CB 3.86Å; L40-F78 HydrophobicContact CD1-CD1 4.02Å; L40-F78 HydrophobicContact CD1-CD2 3.49Å; L40-F78 VanDerWaalsContact CD1-CD2 3.49Å; L40-F78 HydrophobicContact CD1-CE1 4.46Å; L40-F78 HydrophobicContact CD1-CE2 4.01Å; L40-F78 HydrophobicContact CD1-CG 3.51Å; L40-F78 HydrophobicContact CD1-CZ 4.48Å; L40-F78 HydrophobicContact CD2-CB 4.39Å; L40-F78 HydrophobicContact CD2-CD1 4.48Å; L40-F78 HydrophobicContact CD2-CG 4.46Å; L40-F78 HydrophobicContact CG-CD1 4.37Å; L40-F78 HydrophobicContact CG-CG 4.31Å; L40-C95 HydrophobicContact CD1-CB 4Å; L40-C95 HydrophobicContact CD2-CB 4.11Å; L40-C95 HydrophobicContact CG-CB 4.24Å; L40-Q96 WeakPolarHBondContact CA-O 3.37Å
41	H	98.2	Very high	96.2	Very high	25 Å²	25	60.2 Å²	60.2	12%	0.116	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	134.9	-179.7	-61.8	-71.3	0	0	0	109.9	Y43 L53 I55 Q56 C95 Q96	H41-Y43 HydrophobicContact CB-CD2 4.41Å; H41-Y43 HydrophobicContact CB-CE2 3.6Å; H41-L53 HydrophobicContact CB-CD1 3.65Å; H41-I55 WeakPolarHBondContact CA-O 3.34Å; H41-Q56 WeakPolarHBondContact ND1-CB 3.35Å; H41-C95 CarbonylContact O-C 3.01Å; H41-C95 VanDerWaalsContact O-CA 3.3Å; H41-C95 WeakPolarHBondContact O-CA 3.49Å; H41-Q96 PolarHBondContact N-O 2.85Å; H41-Q96 PolarHBondContact O-N 3.21Å
42	W	98.2	Very high	96.1	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	132	175.2	-65.5	98.5	0	0	0	111.1	I28 C30 L40 L53 F54 I55 F78 F80 C95	I28-W42 HydrophobicContact CG2-CH2 4.16Å; I28-W42 HydrophobicContact CG2-CZ3 3.97Å; C30-W42 HydrophobicContact CB-CH2 3.46Å; C30-W42 VanDerWaalsContact CB-CH2 3.46Å; C30-W42 HydrophobicContact CB-CZ2 3.91Å; C30-W42 HydrophobicContact CB-CZ3 4.23Å; L40-W42 HydrophobicContact CD2-CD2 4.04Å; L40-W42 VanDerWaalsContact CD2-CE2 3.5Å; L40-W42 HydrophobicContact CD2-CG 4.08Å; L40-W42 HydrophobicContact CD2-CZ2 4.06Å; W42-L53 WeakPolarHBondContact O-CD1 3.4Å; W42-F54 VanDerWaalsContact C-CE1 3.49Å; W42-F54 HydrophobicContact CB-CD1 4.32Å; W42-F54 HydrophobicContact CB-CE1 3.62Å; W42-F54 HydrophobicContact CB-CE2 4.36Å; W42-F54 HydrophobicContact CB-CZ 3.63Å; W42-F54 WeakPolarHBondContact O-CD1 3.5Å; W42-F54 WeakPolarHBondContact O-CE1 3.39Å; W42-F54 PolarHBondContact O-N 2.74Å; W42-I55 HydrophobicContact CB-CB 4.1Å; W42-I55 HydrophobicContact CG-CB 4.4Å; W42-I55 PolarHBondContact N-O 2.88Å; W42-I55 PolarHBondContact O-N 3.19Å; W42-F78 HydrophobicContact CZ2-CB 4.33Å; W42-F80 HydrophobicContact CD2-CB 3.65Å; W42-F80 HydrophobicContact CD2-CG 4.21Å; W42-F80 VanDerWaalsContact CE2-CB 3.44Å; W42-F80 HydrophobicContact CE3-CB 3.82Å; W42-F80 HydrophobicContact CE3-CD1 4.31Å; W42-F80 HydrophobicContact CE3-CG 4.23Å; W42-F80 HydrophobicContact CG-CB 4.37Å; W42-F80 HydrophobicContact CH2-CB 3.6Å; W42-F80 HydrophobicContact CZ2-CB 3.44Å; W42-F80 VanDerWaalsContact CZ2-CB 3.44Å; W42-F80 HydrophobicContact CZ3-CB 3.79Å; W42-F80 HydrophobicContact CZ3-CD1 4.43Å; W42-F80 HydrophobicContact CZ3-CG 4.47Å; W42-C95 HydrophobicContact CD2-CB 4.25Å; W42-C95 HydrophobicContact CE3-CB 3.86Å; W42-C95 HydrophobicContact CH2-CB 4.1Å; W42-C95 HydrophobicContact CZ2-CB 4.44Å; W42-C95 HydrophobicContact CZ3-CB 3.79Å
43	Y	97	Very high	96	Very high	40 Å²	40	64.1 Å²	64.1	16%	0.157	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	141.7	-179.6	-66.4	-98	0	0	0	110.8	H41 P51 K52 L53 Y93 Y94 Q96	H41-Y43 HydrophobicContact CB-CD2 4.41Å; H41-Y43 HydrophobicContact CB-CE2 3.6Å; Y43-P51 HydrophobicContact CD1-CB 4.29Å; Y43-K52 CarbonylContact C-O 3.58Å; Y43-K52 VanDerWaalsContact CA-O 3.32Å; Y43-K52 WeakPolarHBondContact CA-O 3.46Å; Y43-L53 HydrophobicContact CD1-CB 4.03Å; Y43-L53 HydrophobicContact CD1-CD1 4.45Å; Y43-L53 HydrophobicContact CD2-CD1 4.4Å; Y43-L53 HydrophobicContact CE1-CB 3.68Å; Y43-L53 HydrophobicContact CE1-CD1 4.03Å; Y43-L53 HydrophobicContact CE1-CG 4.4Å; Y43-L53 HydrophobicContact CE2-CD1 3.95Å; Y43-Y93 WeakPolarHBondContact O-CA 3.42Å; Y43-Y94 VanDerWaalsContact CB-CE2 3.47Å; Y43-Y94 HydrophobicContact CD1-CE2 4.38Å; Y43-Y94 HydrophobicContact CD2-CD2 4.05Å; Y43-Y94 AromaticContact CD2-CE2 3.53Å; Y43-Y94 HydrophobicContact CD2-CE2 3.53Å; Y43-Y94 HydrophobicContact CE2-CE2 4.38Å; Y43-Y94 HydrophobicContact CG-CD2 4.27Å; Y43-Y94 HydrophobicContact CG-CE1 4.45Å; Y43-Y94 AromaticContact CG-CE2 3.54Å; Y43-Y94 HydrophobicContact CG-CE2 3.54Å; Y43-Y94 AromaticContact CG-CZ 3.67Å; Y43-Y94 PolarHBondContact N-O 2.76Å; Y43-Y94 PolarHBondContact O-N 3.48Å; Y43-Y94 VanDerWaalsContact O-N 3.08Å; Y43-Q96 HydrophobicContact CD2-CB 4.4Å; Y43-Q96 HydrophobicContact CE2-CB 3.92Å; Y43-Q96 PolarHBondContact OH-OE1 2.73Å
44	Q	96.2	Very high	96	Very high	33 Å²	33	61.3 Å²	61.3	15%	0.154	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	131.1	171.1	-176.3	-172.5	60.8	0	0	108	K52 F54 A91 Y93	Q44-K52 PolarHBondContact N-O 3.1Å; Q44-K52 PolarHBondContact O-N 3.07Å; Q44-F54 HydrophobicContact CB-CD1 3.82Å; Q44-F54 HydrophobicContact CB-CE1 4Å; Q44-A91 HydrophobicContact CG-CB 3.55Å; Q44-Y93 HydrophobicContact CB-CD1 4.2Å; Q44-Y93 HydrophobicContact CB-CE1 3.98Å; Q44-Y93 HydrophobicContact CG-CD1 4.28Å; Q44-Y93 HydrophobicContact CG-CE1 3.73Å; Q44-Y93 PolarHBondContact NE2-OH 2.89Å
45	Q	95.9	Very high	96.2	Very high	46 Å²	46	57.1 Å²	57.1	22%	0.215	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	110.5	174.3	-173.2	174.7	12.2	0	0	109.8	Q49 P51 A91 T92 Y94	Q45-Q49 WeakPolarHBondContact CG-O 3.37Å; Q45-Q49 PolarHBondContact NE2-O 3.05Å; Q45-Q49 VanDerWaalsContact NE2-O 3.09Å; Q45-P51 HydrophobicContact CB-CB 4.34Å; Q45-P51 HydrophobicContact CB-CG 4.33Å; Q45-P51 HydrophobicContact CG-CG 4.19Å; Q45-A91 WeakPolarHBondContact O-CB 3.46Å; Q45-T92 PolarHBondContact N-O 2.98Å; Q45-T92 PolarHBondContact O-N 2.87Å; Q45-Y94 HydrophobicContact CB-CE1 4.44Å
46	K	94.4	Very high	96.2	Very high	63 Å²	63	57.6 Å²	57.6	27%	0.274	30%	0.304	S	S	.	.			trans	-78.8	158.1	170.1	-67.6	-171.9	175.1	-165.5	0	110.1	D48 Q49 E88 A91	K46-D48 PolarHBondContact O-N 2.8Å; K46-Q49 HydrophobicContact CB-CB 4.21Å; K46-Q49 HydrophobicContact CB-CG 4.17Å; K46-Q49 PolarHBondContact O-N 2.94Å; K46-Q49 VanDerWaalsContact O-N 3.08Å; K46-E88 WeakPolarHBondContact CE-O 3.16Å; K46-E88 PolarHBondContact NZ-O 2.59Å; K46-A91 HydrophobicContact CG-CB 4.16Å
47	P	93.6	Very high	96.2	Very high	102 Å²	102	61.6 Å²	61.6	66%	0.662	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	133.5	172.4	-27.1	35.2	0	0	0	111.1	Q49	P47-Q49 PolarHBondContact O-N 2.94Å
48	D	91.8	Very high	96.2	Very high	175 Å²	175	58.5 Å²	58.5	94%	0.936	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	14.9	179.1	-50.8	-49.3	0	0	0	116.1	K46	K46-D48 PolarHBondContact O-N 2.8Å
49	Q	93.3	Very high	96.2	Very high	113 Å²	113	59.2 Å²	59.2	53%	0.528	31%	0.308	S	S	.	.	S	Bend	trans	-110.2	150.8	176.2	-64	-171.4	5.1	0	0	111.7	Q45 K46 P47	Q45-Q49 WeakPolarHBondContact CG-O 3.37Å; Q45-Q49 PolarHBondContact NE2-O 3.05Å; Q45-Q49 VanDerWaalsContact NE2-O 3.09Å; K46-Q49 HydrophobicContact CB-CB 4.21Å; K46-Q49 HydrophobicContact CB-CG 4.17Å; K46-Q49 PolarHBondContact O-N 2.94Å; K46-Q49 VanDerWaalsContact O-N 3.08Å; P47-Q49 PolarHBondContact O-N 2.94Å
50	A	92.8	Very high	96.3	Very high	83 Å²	83	59 Å²	59	69%	0.686	31%	0.311	S	S	*	.			trans	-65	145.3	167	0	0	0	0	0	109.3	K52	A50-K52 PolarHBondContact O-N 3.29Å
51	P	94.8	Very high	96.2	Very high	54 Å²	54	61.9 Å²	61.9	35%	0.351	33%	0.33	S	S	.	.			trans	-59.7	136.3	174.4	-22.3	31.7	0	0	0	112.8	Y43 Q45 Y94	Y43-P51 HydrophobicContact CD1-CB 4.29Å; Q45-P51 HydrophobicContact CB-CB 4.34Å; Q45-P51 HydrophobicContact CB-CG 4.33Å; Q45-P51 HydrophobicContact CG-CG 4.19Å; P51-Y94 HydrophobicContact CB-CE1 3.7Å; P51-Y94 WeakPolarHBondContact CB-OH 3.37Å; P51-Y94 HydrophobicContact CG-CE1 3.93Å; P51-Y94 WeakPolarHBondContact CG-OH 3.44Å
52	K	95.8	Very high	96.1	Very high	143 Å²	143	63.5 Å²	63.5	62%	0.622	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114	124.4	179.9	-172.8	178.5	177.7	-175.5	0	110.2	Y43 Q44 A50	Y43-K52 CarbonylContact C-O 3.58Å; Y43-K52 VanDerWaalsContact CA-O 3.32Å; Y43-K52 WeakPolarHBondContact CA-O 3.46Å; Q44-K52 PolarHBondContact N-O 3.1Å; Q44-K52 PolarHBondContact O-N 3.07Å; A50-K52 PolarHBondContact O-N 3.29Å
53	L	96.6	Very high	96	Very high	45 Å²	45	69.4 Å²	69.4	24%	0.236	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	131.7	169.8	-178.2	66.1	0	0	0	109.3	H41 W42 Y43 I55 Q56 I62	H41-L53 HydrophobicContact CB-CD1 3.65Å; W42-L53 WeakPolarHBondContact O-CD1 3.4Å; Y43-L53 HydrophobicContact CD1-CB 4.03Å; Y43-L53 HydrophobicContact CD1-CD1 4.45Å; Y43-L53 HydrophobicContact CD2-CD1 4.4Å; Y43-L53 HydrophobicContact CE1-CB 3.68Å; Y43-L53 HydrophobicContact CE1-CD1 4.03Å; Y43-L53 HydrophobicContact CE1-CG 4.4Å; Y43-L53 HydrophobicContact CE2-CD1 3.95Å; L53-I55 WeakPolarHBondContact CD1-O 3.49Å; L53-Q56 HydrophobicContact CD2-CB 4.48Å; L53-I62 HydrophobicContact CB-CD1 4.07Å; L53-I62 HydrophobicContact CD2-CD1 3.54Å; L53-I62 HydrophobicContact CG-CD1 3.47Å; L53-I62 VanDerWaalsContact CG-CD1 3.47Å
54	F	96.7	Very high	95.8	Very high	9 Å²	9	71.2 Å²	71.2	4%	0.039	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	-24.1	179.3	73.6	-83.1	0	0	0	113.5	W42 Q44 I62 V65 F69 F80 Y93	W42-F54 VanDerWaalsContact C-CE1 3.49Å; W42-F54 HydrophobicContact CB-CD1 4.32Å; W42-F54 HydrophobicContact CB-CE1 3.62Å; W42-F54 HydrophobicContact CB-CE2 4.36Å; W42-F54 HydrophobicContact CB-CZ 3.63Å; W42-F54 WeakPolarHBondContact O-CD1 3.5Å; W42-F54 WeakPolarHBondContact O-CE1 3.39Å; W42-F54 PolarHBondContact O-N 2.74Å; Q44-F54 HydrophobicContact CB-CD1 3.82Å; Q44-F54 HydrophobicContact CB-CE1 4Å; F54-I62 PolarHBondContact O-N 3.33Å; F54-V65 HydrophobicContact CB-CG1 4.34Å; F54-V65 HydrophobicContact CB-CG2 3.71Å; F54-V65 HydrophobicContact CD2-CG1 4.08Å; F54-V65 WeakPolarHBondContact O-CG2 3.3Å; F54-F69 HydrophobicContact CD2-CB 4.33Å; F54-F69 HydrophobicContact CD2-CG 4.49Å; F54-F69 HydrophobicContact CE2-CB 4.19Å; F54-F69 HydrophobicContact CE2-CD1 4.18Å; F54-F69 HydrophobicContact CE2-CG 4.37Å; F54-F80 AromaticContact CE2-CD2 3.98Å; F54-F80 HydrophobicContact CE2-CD2 3.98Å; F54-F80 AromaticContact CE2-CE2 3.35Å; F54-F80 HydrophobicContact CE2-CE2 3.35Å; F54-F80 AromaticContact CE2-CZ 3.68Å; F54-F80 HydrophobicContact CE2-CZ 3.68Å; F54-F80 HydrophobicContact CZ-CD1 4.44Å; F54-F80 HydrophobicContact CZ-CD2 4.02Å; F54-F80 HydrophobicContact CZ-CE1 4.01Å; F54-F80 AromaticContact CZ-CE2 3.57Å; F54-F80 HydrophobicContact CZ-CE2 3.57Å; F54-F80 HydrophobicContact CZ-CG 4.44Å; F54-F80 AromaticContact CZ-CZ 3.53Å; F54-F80 HydrophobicContact CZ-CZ 3.53Å; F54-Y93 AromaticContact CE1-CD1 3.93Å; F54-Y93 HydrophobicContact CE1-CD1 3.93Å; F54-Y93 HydrophobicContact CE1-CE1 4.29Å; F54-Y93 AromaticContact CZ-CD1 3.87Å; F54-Y93 HydrophobicContact CZ-CD1 3.87Å; F54-Y93 HydrophobicContact CZ-CE1 4.12Å
55	I	98.3	Very high	95.8	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	131.8	167.6	-61.9	165.7	0	0	0	108.8	H41 W42 L53 Q60 F80	H41-I55 WeakPolarHBondContact CA-O 3.34Å; W42-I55 HydrophobicContact CB-CB 4.1Å; W42-I55 HydrophobicContact CG-CB 4.4Å; W42-I55 PolarHBondContact N-O 2.88Å; W42-I55 PolarHBondContact O-N 3.19Å; L53-I55 WeakPolarHBondContact CD1-O 3.49Å; I55-Q60 WeakPolarHBondContact CA-O 3.39Å; I55-F80 HydrophobicContact CD1-CD2 3.93Å; I55-F80 HydrophobicContact CD1-CE2 4.19Å
56	Q	97.6	Very high	95.8	Very high	61 Å²	61	71.2 Å²	71.2	29%	0.285	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	161.9	174.5	64.1	178.4	10.3	0	0	111	H41 L53 A58 S59 Q60	H41-Q56 WeakPolarHBondContact ND1-CB 3.35Å; L53-Q56 HydrophobicContact CD2-CB 4.48Å; Q56-A58 PolarHBondContact O-N 3.31Å; Q56-S59 PolarHBondContact O-N 3.42Å; Q56-Q60 HydrophobicContact CG-CB 3.98Å; Q56-Q60 WeakPolarHBondContact CG-O 3.31Å; Q56-Q60 PolarHBondContact N-O 3.12Å; Q56-Q60 WeakPolarHBondContact O-CA 3.47Å; Q56-Q60 VanDerWaalsContact O-CB 3.29Å; Q56-Q60 WeakPolarHBondContact O-CB 3.37Å; Q56-Q60 PolarHBondContact O-N 3.36Å
57	Y	97.9	Very high	95.9	Very high	83 Å²	83	73.7 Å²	73.7	33%	0.325	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	44.7	178.4	-59.1	-63.6	0	0	0	113.6	N38 Y39 L40 S59	N38-Y57 CarbonylContact O-C 3.55Å; N38-Y57 WeakPolarHBondContact O-CA 3.25Å; Y39-Y57 HydrophobicContact CD1-CD1 4.08Å; Y39-Y57 AromaticContact CD1-CE1 3.76Å; Y39-Y57 HydrophobicContact CD1-CE1 3.76Å; Y39-Y57 HydrophobicContact CE1-CD1 4.4Å; Y39-Y57 AromaticContact CE1-CE1 3.85Å; Y39-Y57 HydrophobicContact CE1-CE1 3.85Å; L40-Y57 PolarHBondContact O-N 3.39Å; Y57-S59 PolarHBondContact O-N 3.07Å
58	A	98.1	Very high	96	Very high	1 Å²	1	70.4 Å²	70.4	1%	0.008	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.7	-37.5	-175.8	0	0	0	0	0	116.6	N38 L40 Q56 G71 S72 G73 F78	N38-A58 HydrophobicContact CB-CB 4.25Å; N38-A58 PolarHBondContact O-N 3.08Å; L40-A58 PolarHBondContact O-N 3.42Å; Q56-A58 PolarHBondContact O-N 3.31Å; A58-G71 CarbonylContact O-C 3.53Å; A58-G71 VanDerWaalsContact O-CA 3.23Å; A58-G71 WeakPolarHBondContact O-CA 3.32Å; A58-S72 PolarHBondContact O-N 3.35Å; A58-G73 WeakPolarHBondContact CB-O 3.34Å; A58-F78 HydrophobicContact CB-CD1 3.73Å; A58-F78 HydrophobicContact CB-CE1 3.86Å
59	S	98	Very high	96.3	Very high	69 Å²	69	62.4 Å²	62.4	48%	0.483	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.9	-6.5	-169.7	61.7	0	0	0	0	115.7	Q56 Y57 S61 G71	Q56-S59 PolarHBondContact O-N 3.42Å; Y57-S59 PolarHBondContact O-N 3.07Å; S59-S61 PolarHBondContact O-N 2.84Å; S59-G71 WeakPolarHBondContact CA-O 3.07Å; S59-G71 WeakPolarHBondContact CB-O 3.29Å
60	Q	98.1	Very high	96.6	Very high	95 Å²	95	60.2 Å²	60.2	44%	0.444	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	103	-177.6	-56.8	179.1	17.8	0	0	110.6	I55 Q56	I55-Q60 WeakPolarHBondContact CA-O 3.39Å; Q56-Q60 HydrophobicContact CG-CB 3.98Å; Q56-Q60 WeakPolarHBondContact CG-O 3.31Å; Q56-Q60 PolarHBondContact N-O 3.12Å; Q56-Q60 WeakPolarHBondContact O-CA 3.47Å; Q56-Q60 VanDerWaalsContact O-CB 3.29Å; Q56-Q60 WeakPolarHBondContact O-CB 3.37Å; Q56-Q60 PolarHBondContact O-N 3.36Å
61	S	97.4	Very high	96.8	Very high	60 Å²	60	56.8 Å²	56.8	42%	0.42	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	139.3	174.2	-56.1	0	0	0	0	111.5	S59	S59-S61 PolarHBondContact O-N 2.84Å
62	I	96.6	Very high	97	Very high	59 Å²	59	57 Å²	57	30%	0.303	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-75.5	152	173.3	-64.4	-173.6	0	0	0	109.9	L53 F54 G64 V65	L53-I62 HydrophobicContact CB-CD1 4.07Å; L53-I62 HydrophobicContact CD2-CD1 3.54Å; L53-I62 HydrophobicContact CG-CD1 3.47Å; L53-I62 VanDerWaalsContact CG-CD1 3.47Å; F54-I62 PolarHBondContact O-N 3.33Å; I62-G64 PolarHBondContact O-N 3.28Å; I62-V65 HydrophobicContact CB-CG2 4.27Å; I62-V65 VanDerWaalsContact O-CB 3.32Å; I62-V65 WeakPolarHBondContact O-CB 3.04Å; I62-V65 VanDerWaalsContact O-CG2 3.28Å; I62-V65 WeakPolarHBondContact O-CG2 3.35Å; I62-V65 PolarHBondContact O-N 2.94Å; I62-V65 VanDerWaalsContact O-N 3.16Å
63	S	95.2	Very high	97.1	Very high	124 Å²	124	52 Å²	52	87%	0.867	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	134.5	175.5	-172.2	0	0	0	0	112.2	V65	S63-V65 VanDerWaalsContact C-N 3.35Å
64	G	93.3	Very high	97.1	Very high	78 Å²	78	53.8 Å²	53.8	80%	0.804	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	1	-179	0	0	0	0	0	115.2	I62	I62-G64 PolarHBondContact O-N 3.28Å
65	V	95.5	Very high	97.2	Very high	30 Å²	30	54.6 Å²	54.6	18%	0.182	36%	0.36	C	S	.	.			trans	-81.6	128.4	173.3	175.7	0	0	0	0	109.7	F54 I62 S63 F69	F54-V65 HydrophobicContact CB-CG1 4.34Å; F54-V65 HydrophobicContact CB-CG2 3.71Å; F54-V65 HydrophobicContact CD2-CG1 4.08Å; F54-V65 WeakPolarHBondContact O-CG2 3.3Å; I62-V65 HydrophobicContact CB-CG2 4.27Å; I62-V65 VanDerWaalsContact O-CB 3.32Å; I62-V65 WeakPolarHBondContact O-CB 3.04Å; I62-V65 VanDerWaalsContact O-CG2 3.28Å; I62-V65 WeakPolarHBondContact O-CG2 3.35Å; I62-V65 PolarHBondContact O-N 2.94Å; I62-V65 VanDerWaalsContact O-N 3.16Å; S63-V65 VanDerWaalsContact C-N 3.35Å; V65-F69 HydrophobicContact CG1-CB 3.87Å; V65-F69 HydrophobicContact CG1-CD2 3.94Å; V65-F69 HydrophobicContact CG1-CG 4.22Å
66	P	96.3	Very high	97.2	Very high	49 Å²	49	57 Å²	57	32%	0.318	38%	0.375	S	S	.	.			trans	-57	142	177.6	-27.7	35.9	0	0	0	112.9	R68 F69	P66-R68 HydrophobicContact CB-CG 3.84Å; P66-R68 PolarHBondContact O-N 2.88Å; P66-R68 VanDerWaalsContact O-N 3.1Å; P66-F69 HydrophobicContact CB-CD2 3.8Å; P66-F69 HydrophobicContact CB-CE2 3.96Å; P66-F69 HydrophobicContact CG-CD2 4.05Å; P66-F69 HydrophobicContact CG-CE2 3.86Å; P66-F69 WeakPolarHBondContact O-CB 3.47Å; P66-F69 WeakPolarHBondContact O-CD2 3.29Å; P66-F69 PolarHBondContact O-N 2.89Å
67	S	95.9	Very high	97.2	Very high	115 Å²	115	58.2 Å²	58.2	80%	0.804	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-15.6	-178.1	56.8	0	0	0	0	114.3	F69	S67-F69 PolarHBondContact O-N 3.08Å
68	R	97.2	Very high	97.2	Very high	32 Å²	32	54.4 Å²	54.4	12%	0.121	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-21.9	171.9	60.7	178.1	-175.9	-96.3	0.1	113.1	P66 I82 S83 S84 E86 E88 D89	P66-R68 HydrophobicContact CB-CG 3.84Å; P66-R68 PolarHBondContact O-N 2.88Å; P66-R68 VanDerWaalsContact O-N 3.1Å; R68-I82 WeakPolarHBondContact O-CA 3.47Å; R68-S83 WeakPolarHBondContact CA-OG 3.48Å; R68-S83 WeakPolarHBondContact CB-OG 3.4Å; R68-S83 PolarHBondContact O-N 2.86Å; R68-S83 PolarHBondContact O-OG 3.31Å; R68-S84 WeakPolarHBondContact CD-O 3.34Å; R68-E86 IonicContact CZ-OE1 3.26Å; R68-E86 VanDerWaalsContact CZ-OE1 3.26Å; R68-E86 IonicContact CZ-OE2 3.09Å; R68-E86 IonicContact NE-OE1 3.6Å; R68-E86 IonicContact NE-OE2 3.88Å; R68-E86 IonicContact NH1-OE1 2.75Å; R68-E86 PolarHBondContact NH1-OE1 2.94Å; R68-E86 IonicContact NH1-OE2 2.96Å; R68-E86 PolarHBondContact NH1-OE2 2.86Å; R68-E86 IonicContact NH2-OE2 3.08Å; R68-E86 PolarHBondContact NH2-OE2 3Å; R68-E86 VanDerWaalsContact NH2-OE2 3.08Å; R68-E88 IonicContact CZ-OE1 3.93Å; R68-E88 IonicContact NH2-OE1 2.91Å; R68-E88 PolarHBondContact NH2-OE1 2.82Å; R68-D89 IonicContact CZ-OD1 3.57Å; R68-D89 IonicContact CZ-OD2 3.6Å; R68-D89 IonicContact NE-OD1 3.49Å; R68-D89 PolarHBondContact NE-OD1 2.85Å; R68-D89 IonicContact NE-OD2 2.87Å; R68-D89 PolarHBondContact NE-OD2 2.8Å; R68-D89 IonicContact NH2-OD1 2.8Å; R68-D89 PolarHBondContact NH2-OD1 2.79Å; R68-D89 IonicContact NH2-OD2 3.56Å
69	F	97.9	Very high	97.3	Very high	8 Å²	8	56.4 Å²	56.4	4%	0.035	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	117.8	175	-62.5	-73.5	0	0	0	110.7	F54 V65 P66 S67 F80 I82 D89 Y93	F54-F69 HydrophobicContact CD2-CB 4.33Å; F54-F69 HydrophobicContact CD2-CG 4.49Å; F54-F69 HydrophobicContact CE2-CB 4.19Å; F54-F69 HydrophobicContact CE2-CD1 4.18Å; F54-F69 HydrophobicContact CE2-CG 4.37Å; V65-F69 HydrophobicContact CG1-CB 3.87Å; V65-F69 HydrophobicContact CG1-CD2 3.94Å; V65-F69 HydrophobicContact CG1-CG 4.22Å; P66-F69 HydrophobicContact CB-CD2 3.8Å; P66-F69 HydrophobicContact CB-CE2 3.96Å; P66-F69 HydrophobicContact CG-CD2 4.05Å; P66-F69 HydrophobicContact CG-CE2 3.86Å; P66-F69 WeakPolarHBondContact O-CB 3.47Å; P66-F69 WeakPolarHBondContact O-CD2 3.29Å; P66-F69 PolarHBondContact O-N 2.89Å; S67-F69 PolarHBondContact O-N 3.08Å; F69-F80 HydrophobicContact CB-CE2 4.1Å; F69-F80 AromaticContact CD1-CE2 3.62Å; F69-F80 HydrophobicContact CD1-CE2 3.62Å; F69-F80 AromaticContact CD1-CZ 3.5Å; F69-F80 HydrophobicContact CD1-CZ 3.5Å; F69-F80 VanDerWaalsContact CD1-CZ 3.5Å; F69-F80 HydrophobicContact CE1-CZ 4.01Å; F69-F80 HydrophobicContact CG-CE2 4.35Å; F69-I82 HydrophobicContact CD1-CD1 4.34Å; F69-I82 HydrophobicContact CD1-CG1 3.86Å; F69-I82 HydrophobicContact CD1-CG2 4.4Å; F69-I82 HydrophobicContact CE1-CD1 3.83Å; F69-I82 HydrophobicContact CE1-CG1 3.84Å; F69-I82 HydrophobicContact CE1-CG2 4.18Å; F69-D89 HydrophobicContact CZ-CB 4.21Å; F69-D89 VanDerWaalsContact CZ-OD1 3.25Å; F69-D89 WeakPolarHBondContact CZ-OD1 3.4Å; F69-Y93 HydrophobicContact CE1-CE1 4.24Å
70	T	98	Very high	97.2	Very high	66 Å²	66	53.2 Å²	53.2	41%	0.405	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	137.8	-178.2	54	0	0	0	0	110.7	F80 T81	T70-F80 CarbonylContact O-C 3.59Å; T70-F80 WeakPolarHBondContact O-CA 3.31Å; T70-F80 WeakPolarHBondContact O-CD2 3.16Å; T70-T81 PolarHBondContact N-O 3.03Å; T70-T81 PolarHBondContact O-N 2.86Å; T70-T81 WeakPolarHBondContact OG1-CB 3.4Å; T70-T81 PolarHBondContact OG1-O 3.22Å
71	G	97.9	Very high	97.2	Very high	12 Å²	12	49.7 Å²	49.7	12%	0.124	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	148.5	176.6	0	0	0	0	0	110.5	A58 S59 T79	A58-G71 CarbonylContact O-C 3.53Å; A58-G71 VanDerWaalsContact O-CA 3.23Å; A58-G71 WeakPolarHBondContact O-CA 3.32Å; S59-G71 WeakPolarHBondContact CA-O 3.07Å; S59-G71 WeakPolarHBondContact CB-O 3.29Å; G71-T79 CarbonylContact C-O 3.54Å; G71-T79 WeakPolarHBondContact CA-O 3.36Å
72	S	98.1	Very high	97.3	Very high	59 Å²	59	46.9 Å²	46.9	41%	0.413	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	170.3	174.9	74.8	0	0	0	0	111.7	A58 F78 T79	A58-S72 PolarHBondContact O-N 3.35Å; S72-F78 WeakPolarHBondContact O-CA 3.4Å; S72-T79 PolarHBondContact N-O 2.89Å; S72-T79 PolarHBondContact O-N 2.8Å; S72-T79 PolarHBondContact OG-OG1 3.24Å
73	G	97.8	Very high	97.3	Very high	36 Å²	36	47.3 Å²	47.3	37%	0.371	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	112.8	169.4	176.7	0	0	0	0	0	113.9	A58 D77	A58-G73 WeakPolarHBondContact CB-O 3.34Å; G73-D77 VanDerWaalsContact CA-O 3.26Å; G73-D77 WeakPolarHBondContact CA-O 3.1Å
74	S	97.9	Very high	97.4	Very high	83 Å²	83	43.8 Å²	43.8	58%	0.58	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-165.6	165.7	-179.3	64	0	0	0	0	110.3	S37 T76 D77	S37-S74 CarbonylContact O-C 3.57Å; S37-S74 VanDerWaalsContact O-CA 3.29Å; S37-S74 WeakPolarHBondContact O-CA 3.27Å; S74-T76 PolarHBondContact O-N 2.87Å; S74-T76 VanDerWaalsContact O-N 3.1Å; S74-D77 PolarHBondContact N-O 2.92Å; S74-D77 PolarHBondContact O-N 2.84Å
75	G	97.9	Very high	97.6	Very high	27 Å²	27	41.3 Å²	41.3	28%	0.278	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	-107.3	-178.1	0	0	0	0	0	110	G35 I36 S37 F78	G35-G75 WeakPolarHBondContact CA-O 3.41Å; I36-G75 WeakPolarHBondContact CG1-O 3.4Å; I36-G75 PolarHBondContact N-O 2.78Å; S37-G75 PolarHBondContact O-N 2.98Å; G75-F78 WeakPolarHBondContact O-CE2 3.23Å; G75-F78 WeakPolarHBondContact O-CZ 3.46Å
76	T	98	Very high	97.6	Very high	49 Å²	49	43.3 Å²	43.3	30%	0.301	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-21	-176.9	43.8	0	0	0	0	113.4	Q31 A32 S74	Q31-T76 CarbonylContact C-O 3.47Å; Q31-T76 VanDerWaalsContact CA-O 3.26Å; Q31-T76 WeakPolarHBondContact CA-O 3.48Å; A32-T76 PolarHBondContact N-O 2.96Å; S74-T76 PolarHBondContact O-N 2.87Å; S74-T76 VanDerWaalsContact O-N 3.1Å
77	D	98.4	Very high	97.5	Very high	88 Å²	88	46.7 Å²	46.7	47%	0.471	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	124.4	-165.2	-63.7	-84.6	0	0	0	111.4	G73 S74	G73-D77 VanDerWaalsContact CA-O 3.26Å; G73-D77 WeakPolarHBondContact CA-O 3.1Å; S74-D77 PolarHBondContact N-O 2.92Å; S74-D77 PolarHBondContact O-N 2.84Å
78	F	98.6	Very high	97.4	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.009	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	148.3	-174.4	-55.9	-92.8	0	0	0	110.7	T29 C30 I36 S37 L40 W42 A58 S72 G75	T29-F78 CarbonylContact C-O 3.57Å; T29-F78 WeakPolarHBondContact CA-O 3.28Å; C30-F78 HydrophobicContact CB-CB 4.38Å; C30-F78 PolarHBondContact N-O 3.49Å; C30-F78 WeakPolarHBondContact O-CB 3.36Å; C30-F78 PolarHBondContact O-N 3.08Å; I36-F78 HydrophobicContact CD1-CE2 3.62Å; I36-F78 HydrophobicContact CD1-CZ 3.74Å; I36-F78 HydrophobicContact CG1-CE2 3.6Å; I36-F78 HydrophobicContact CG1-CZ 3.44Å; I36-F78 VanDerWaalsContact CG1-CZ 3.44Å; S37-F78 WeakPolarHBondContact O-CZ 3.41Å; L40-F78 HydrophobicContact CB-CD1 3.96Å; L40-F78 HydrophobicContact CB-CE1 3.92Å; L40-F78 HydrophobicContact CB-CG 4.34Å; L40-F78 HydrophobicContact CB-CZ 4.29Å; L40-F78 HydrophobicContact CD1-CB 3.86Å; L40-F78 HydrophobicContact CD1-CD1 4.02Å; L40-F78 HydrophobicContact CD1-CD2 3.49Å; L40-F78 VanDerWaalsContact CD1-CD2 3.49Å; L40-F78 HydrophobicContact CD1-CE1 4.46Å; L40-F78 HydrophobicContact CD1-CE2 4.01Å; L40-F78 HydrophobicContact CD1-CG 3.51Å; L40-F78 HydrophobicContact CD1-CZ 4.48Å; L40-F78 HydrophobicContact CD2-CB 4.39Å; L40-F78 HydrophobicContact CD2-CD1 4.48Å; L40-F78 HydrophobicContact CD2-CG 4.46Å; L40-F78 HydrophobicContact CG-CD1 4.37Å; L40-F78 HydrophobicContact CG-CG 4.31Å; W42-F78 HydrophobicContact CZ2-CB 4.33Å; A58-F78 HydrophobicContact CB-CD1 3.73Å; A58-F78 HydrophobicContact CB-CE1 3.86Å; S72-F78 WeakPolarHBondContact O-CA 3.4Å; G75-F78 WeakPolarHBondContact O-CE2 3.23Å; G75-F78 WeakPolarHBondContact O-CZ 3.46Å
79	T	98.3	Very high	97.3	Very high	44 Å²	44	45 Å²	45	27%	0.27	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	143.6	175.9	66.1	0	0	0	0	110.8	I28 T29 G71 S72	I28-T79 CarbonylContact O-C 3.18Å; I28-T79 WeakPolarHBondContact O-CA 3.4Å; T29-T79 HydrophobicContact CG2-CG2 4.18Å; G71-T79 CarbonylContact C-O 3.54Å; G71-T79 WeakPolarHBondContact CA-O 3.36Å; S72-T79 PolarHBondContact N-O 2.89Å; S72-T79 PolarHBondContact O-N 2.8Å; S72-T79 PolarHBondContact OG-OG1 3.24Å
80	F	97.6	Very high	97.2	Very high	1 Å²	1	48.2 Å²	48.2	0%	0.004	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	131.6	170.2	161.4	-120.2	0	0	0	108.2	T27 I28 W42 F54 I55 F69 T70 I82 Y93	T27-F80 CarbonylContact C-O 3.57Å; T27-F80 WeakPolarHBondContact CA-O 3.19Å; I28-F80 HydrophobicContact CB-CD1 4.12Å; I28-F80 HydrophobicContact CD1-CD1 3.94Å; I28-F80 HydrophobicContact CD1-CE1 4.13Å; I28-F80 HydrophobicContact CG1-CD1 4.25Å; I28-F80 PolarHBondContact N-O 2.89Å; I28-F80 PolarHBondContact O-N 3.41Å; W42-F80 HydrophobicContact CD2-CB 3.65Å; W42-F80 HydrophobicContact CD2-CG 4.21Å; W42-F80 VanDerWaalsContact CE2-CB 3.44Å; W42-F80 HydrophobicContact CE3-CB 3.82Å; W42-F80 HydrophobicContact CE3-CD1 4.31Å; W42-F80 HydrophobicContact CE3-CG 4.23Å; W42-F80 HydrophobicContact CG-CB 4.37Å; W42-F80 HydrophobicContact CH2-CB 3.6Å; W42-F80 HydrophobicContact CZ2-CB 3.44Å; W42-F80 VanDerWaalsContact CZ2-CB 3.44Å; W42-F80 HydrophobicContact CZ3-CB 3.79Å; W42-F80 HydrophobicContact CZ3-CD1 4.43Å; W42-F80 HydrophobicContact CZ3-CG 4.47Å; F54-F80 AromaticContact CE2-CD2 3.98Å; F54-F80 HydrophobicContact CE2-CD2 3.98Å; F54-F80 AromaticContact CE2-CE2 3.35Å; F54-F80 HydrophobicContact CE2-CE2 3.35Å; F54-F80 AromaticContact CE2-CZ 3.68Å; F54-F80 HydrophobicContact CE2-CZ 3.68Å; F54-F80 HydrophobicContact CZ-CD1 4.44Å; F54-F80 HydrophobicContact CZ-CD2 4.02Å; F54-F80 HydrophobicContact CZ-CE1 4.01Å; F54-F80 AromaticContact CZ-CE2 3.57Å; F54-F80 HydrophobicContact CZ-CE2 3.57Å; F54-F80 HydrophobicContact CZ-CG 4.44Å; F54-F80 AromaticContact CZ-CZ 3.53Å; F54-F80 HydrophobicContact CZ-CZ 3.53Å; I55-F80 HydrophobicContact CD1-CD2 3.93Å; I55-F80 HydrophobicContact CD1-CE2 4.19Å; F69-F80 HydrophobicContact CB-CE2 4.1Å; F69-F80 AromaticContact CD1-CE2 3.62Å; F69-F80 HydrophobicContact CD1-CE2 3.62Å; F69-F80 AromaticContact CD1-CZ 3.5Å; F69-F80 HydrophobicContact CD1-CZ 3.5Å; F69-F80 VanDerWaalsContact CD1-CZ 3.5Å; F69-F80 HydrophobicContact CE1-CZ 4.01Å; F69-F80 HydrophobicContact CG-CE2 4.35Å; T70-F80 CarbonylContact O-C 3.59Å; T70-F80 WeakPolarHBondContact O-CA 3.31Å; T70-F80 WeakPolarHBondContact O-CD2 3.16Å; F80-I82 HydrophobicContact CE1-CD1 4.03Å; F80-I82 HydrophobicContact CE1-CG1 3.84Å; F80-I82 HydrophobicContact CE2-CG1 4.1Å; F80-I82 HydrophobicContact CZ-CD1 3.86Å; F80-I82 HydrophobicContact CZ-CG1 3.41Å; F80-I82 VanDerWaalsContact CZ-CG1 3.41Å; F80-Y93 HydrophobicContact CD1-CD1 4.33Å; F80-Y93 AromaticContact CE1-CD1 3.41Å; F80-Y93 HydrophobicContact CE1-CD1 3.41Å; F80-Y93 VanDerWaalsContact CE1-CD1 3.41Å; F80-Y93 HydrophobicContact CE1-CD2 4.49Å; F80-Y93 AromaticContact CE1-CE1 3.71Å; F80-Y93 HydrophobicContact CE1-CE1 3.71Å; F80-Y93 AromaticContact CE1-CG 3.84Å; F80-Y93 HydrophobicContact CE1-CG 3.84Å; F80-Y93 AromaticContact CZ-CD1 3.85Å; F80-Y93 HydrophobicContact CZ-CD1 3.85Å; F80-Y93 AromaticContact CZ-CE1 3.73Å; F80-Y93 HydrophobicContact CZ-CE1 3.73Å
81	T	97.9	Very high	97.1	Very high	22 Å²	22	46.4 Å²	46.4	14%	0.135	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.8	-177	-65.8	0	0	0	0	110.1	K25 V26 T70	K25-T81 HydrophobicContact CD-CG2 4.31Å; K25-T81 VanDerWaalsContact CE-CG2 3.4Å; K25-T81 HydrophobicContact CG-CG2 4.07Å; V26-T81 VanDerWaalsContact O-CA 3.29Å; V26-T81 WeakPolarHBondContact O-CA 3.33Å; T70-T81 PolarHBondContact N-O 3.03Å; T70-T81 PolarHBondContact O-N 2.86Å; T70-T81 WeakPolarHBondContact OG1-CB 3.4Å; T70-T81 PolarHBondContact OG1-O 3.22Å
82	I	98	Very high	97	Very high	1 Å²	1	49 Å²	49	1%	0.005	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	111.2	164.4	-48.2	177.2	0	0	0	105.9	K25 V26 R68 F69 F80 L85 Y93	K25-I82 CarbonylContact C-O 3.24Å; K25-I82 VanDerWaalsContact CA-O 3.32Å; K25-I82 WeakPolarHBondContact CA-O 3Å; V26-I82 HydrophobicContact CB-CB 4.2Å; V26-I82 HydrophobicContact CB-CD1 4.41Å; V26-I82 HydrophobicContact CB-CG1 4.42Å; V26-I82 PolarHBondContact N-O 2.84Å; V26-I82 PolarHBondContact O-N 2.84Å; R68-I82 WeakPolarHBondContact O-CA 3.47Å; F69-I82 HydrophobicContact CD1-CD1 4.34Å; F69-I82 HydrophobicContact CD1-CG1 3.86Å; F69-I82 HydrophobicContact CD1-CG2 4.4Å; F69-I82 HydrophobicContact CE1-CD1 3.83Å; F69-I82 HydrophobicContact CE1-CG1 3.84Å; F69-I82 HydrophobicContact CE1-CG2 4.18Å; F80-I82 HydrophobicContact CE1-CD1 4.03Å; F80-I82 HydrophobicContact CE1-CG1 3.84Å; F80-I82 HydrophobicContact CE2-CG1 4.1Å; F80-I82 HydrophobicContact CZ-CD1 3.86Å; F80-I82 HydrophobicContact CZ-CG1 3.41Å; F80-I82 VanDerWaalsContact CZ-CG1 3.41Å; I82-L85 HydrophobicContact CD1-CD1 3.77Å; I82-L85 HydrophobicContact CG2-CD1 4.2Å; I82-Y93 HydrophobicContact CD1-CE1 4.42Å; I82-Y93 HydrophobicContact CD1-CE2 4.18Å
83	S	97.7	Very high	96.9	Very high	67 Å²	67	47.2 Å²	47.2	47%	0.469	30%	0.301	S	S	.	.	S	Bend	trans	-70.2	-32.8	-172.8	58.8	0	0	0	0	113.5	R68	R68-S83 WeakPolarHBondContact CA-OG 3.48Å; R68-S83 WeakPolarHBondContact CB-OG 3.4Å; R68-S83 PolarHBondContact O-N 2.86Å; R68-S83 PolarHBondContact O-OG 3.31Å
84	S	97.3	Very high	96.7	Very high	50 Å²	50	47 Å²	47	35%	0.35	29%	0.289	S	S	.	.	S	Bend	trans	-146	101.5	177.2	172.1	0	0	0	0	108.1	R68	R68-S84 WeakPolarHBondContact CD-O 3.34Å
85	L	96.4	Very high	96.7	Very high	26 Å²	26	43.1 Å²	43.1	14%	0.136	26%	0.261	C	S	.	.			trans	-65.8	131.6	-177	-172.9	73.1	0	0	0	111.6	V20 P22 G23 E24 V26 I82 D89	V20-L85 HydrophobicContact CB-CD2 3.75Å; V20-L85 HydrophobicContact CG1-CD2 3.88Å; P22-L85 CarbonylContact C-O 3.6Å; P22-L85 VanDerWaalsContact CA-O 3.27Å; P22-L85 WeakPolarHBondContact CA-O 3.32Å; G23-L85 PolarHBondContact N-O 3.48Å; E24-L85 WeakPolarHBondContact O-CB 3.25Å; E24-L85 PolarHBondContact O-N 2.89Å; V26-L85 HydrophobicContact CG2-CB 4.27Å; V26-L85 HydrophobicContact CG2-CD1 4.13Å; V26-L85 HydrophobicContact CG2-CD2 4.09Å; V26-L85 HydrophobicContact CG2-CG 4.41Å; I82-L85 HydrophobicContact CD1-CD1 3.77Å; I82-L85 HydrophobicContact CG2-CD1 4.2Å; L85-D89 HydrophobicContact CD1-CB 3.69Å
86	E	96.8	Very high	96.7	Very high	72 Å²	72	43.4 Å²	43.4	34%	0.336	26%	0.256	S	S	.	.			trans	-106.8	159.1	171.9	-65.5	172	-159.7	0	0	111.1	R68 E88 D89	R68-E86 IonicContact CZ-OE1 3.26Å; R68-E86 VanDerWaalsContact CZ-OE1 3.26Å; R68-E86 IonicContact CZ-OE2 3.09Å; R68-E86 IonicContact NE-OE1 3.6Å; R68-E86 IonicContact NE-OE2 3.88Å; R68-E86 IonicContact NH1-OE1 2.75Å; R68-E86 PolarHBondContact NH1-OE1 2.94Å; R68-E86 IonicContact NH1-OE2 2.96Å; R68-E86 PolarHBondContact NH1-OE2 2.86Å; R68-E86 IonicContact NH2-OE2 3.08Å; R68-E86 PolarHBondContact NH2-OE2 3Å; R68-E86 VanDerWaalsContact NH2-OE2 3.08Å; E86-E88 HydrophobicContact CB-CG 3.86Å; E86-E88 PolarHBondContact O-N 3.03Å; E86-E88 VanDerWaalsContact OE2-OE1 3.11Å; E86-D89 PolarHBondContact N-OD2 3.41Å; E86-D89 VanDerWaalsContact O-CB 3.29Å; E86-D89 WeakPolarHBondContact O-CB 3.38Å; E86-D89 PolarHBondContact O-N 2.89Å
87	V	94.4	Very high	96.6	Very high	120 Å²	120	41.1 Å²	41.1	73%	0.727	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-58.2	-35.2	-179.6	177.5	0	0	0	0	111.4	P22 D89 A90	P22-V87 HydrophobicContact CG-CG2 3.87Å; V87-D89 PolarHBondContact O-N 2.01Å; V87-A90 WeakPolarHBondContact O-CB 3.45Å; V87-A90 PolarHBondContact O-N 3.19Å
88	E	93.9	Very high	96.5	Very high	108 Å²	108	37.9 Å²	37.9	51%	0.505	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-70.6	-12.7	177.1	59.5	-177.5	-139.1	0	0	114.6	K46 R68 E86 A90	K46-E88 WeakPolarHBondContact CE-O 3.16Å; K46-E88 PolarHBondContact NZ-O 2.59Å; R68-E88 IonicContact CZ-OE1 3.93Å; R68-E88 IonicContact NH2-OE1 2.91Å; R68-E88 PolarHBondContact NH2-OE1 2.82Å; E86-E88 HydrophobicContact CB-CG 3.86Å; E86-E88 PolarHBondContact O-N 3.03Å; E86-E88 VanDerWaalsContact OE2-OE1 3.11Å; E88-A90 VanDerWaalsContact C-N 3.32Å
89	D	95.4	Very high	96.3	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.027	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-87.7	-3.7	178.8	-59.1	-25.8	0	0	0	112	R68 F69 L85 E86 V87 A91 Y93	R68-D89 IonicContact CZ-OD1 3.57Å; R68-D89 IonicContact CZ-OD2 3.6Å; R68-D89 IonicContact NE-OD1 3.49Å; R68-D89 PolarHBondContact NE-OD1 2.85Å; R68-D89 IonicContact NE-OD2 2.87Å; R68-D89 PolarHBondContact NE-OD2 2.8Å; R68-D89 IonicContact NH2-OD1 2.8Å; R68-D89 PolarHBondContact NH2-OD1 2.79Å; R68-D89 IonicContact NH2-OD2 3.56Å; F69-D89 HydrophobicContact CZ-CB 4.21Å; F69-D89 VanDerWaalsContact CZ-OD1 3.25Å; F69-D89 WeakPolarHBondContact CZ-OD1 3.4Å; L85-D89 HydrophobicContact CD1-CB 3.69Å; E86-D89 PolarHBondContact N-OD2 3.41Å; E86-D89 VanDerWaalsContact O-CB 3.29Å; E86-D89 WeakPolarHBondContact O-CB 3.38Å; E86-D89 PolarHBondContact O-N 2.89Å; V87-D89 PolarHBondContact O-N 2.01Å; D89-A91 PolarHBondContact O-N 2.8Å; D89-Y93 WeakPolarHBondContact O-CE2 3.4Å; D89-Y93 PolarHBondContact O-OH 2.82Å
90	A	95	Very high	96	Very high	74 Å²	74	41.5 Å²	41.5	61%	0.612	25%	0.245	S	C	*	.			trans	-62.4	105.7	173.4	0	0	0	0	0	110.4	V87 E88	V87-A90 WeakPolarHBondContact O-CB 3.45Å; V87-A90 PolarHBondContact O-N 3.19Å; E88-A90 VanDerWaalsContact C-N 3.32Å
91	A	95.4	Very high	95.7	Very high	28 Å²	28	48.2 Å²	48.2	23%	0.231	28%	0.275	C	S	.	.	S	Bend	trans	-161.3	166.9	-173	0	0	0	0	0	110.7	Q44 Q45 K46 D89 Y93	Q44-A91 HydrophobicContact CG-CB 3.55Å; Q45-A91 WeakPolarHBondContact O-CB 3.46Å; K46-A91 HydrophobicContact CG-CB 4.16Å; D89-A91 PolarHBondContact O-N 2.8Å; A91-Y93 HydrophobicContact CB-CE2 3.99Å; A91-Y93 WeakPolarHBondContact O-CD2 3.37Å; A91-Y93 WeakPolarHBondContact O-CE2 3.38Å
92	T	95.8	Very high	95.3	Very high	68 Å²	68	50 Å²	50	42%	0.417	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	128.5	164.6	-57.8	0	0	0	0	109.1	Q45 Q108	Q45-T92 PolarHBondContact N-O 2.98Å; Q45-T92 PolarHBondContact O-N 2.87Å; T92-Q108 HydrophobicContact CG2-CG 4.13Å
93	Y	95.8	Very high	95	Very high	20 Å²	20	54.1 Å²	54.1	8%	0.078	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	138.2	175	-63.3	-91.9	0	0	0	109.6	Q13 I28 Y43 Q44 F54 F69 F80 I82 D89 A91	Q13-Y93 PolarHBondContact NE2-O 3.01Å; I28-Y93 HydrophobicContact CD1-CD2 4.18Å; I28-Y93 HydrophobicContact CD1-CG 4.15Å; Y43-Y93 WeakPolarHBondContact O-CA 3.42Å; Q44-Y93 HydrophobicContact CB-CD1 4.2Å; Q44-Y93 HydrophobicContact CB-CE1 3.98Å; Q44-Y93 HydrophobicContact CG-CD1 4.28Å; Q44-Y93 HydrophobicContact CG-CE1 3.73Å; Q44-Y93 PolarHBondContact NE2-OH 2.89Å; F54-Y93 AromaticContact CE1-CD1 3.93Å; F54-Y93 HydrophobicContact CE1-CD1 3.93Å; F54-Y93 HydrophobicContact CE1-CE1 4.29Å; F54-Y93 AromaticContact CZ-CD1 3.87Å; F54-Y93 HydrophobicContact CZ-CD1 3.87Å; F54-Y93 HydrophobicContact CZ-CE1 4.12Å; F69-Y93 HydrophobicContact CE1-CE1 4.24Å; F80-Y93 HydrophobicContact CD1-CD1 4.33Å; F80-Y93 AromaticContact CE1-CD1 3.41Å; F80-Y93 HydrophobicContact CE1-CD1 3.41Å; F80-Y93 VanDerWaalsContact CE1-CD1 3.41Å; F80-Y93 HydrophobicContact CE1-CD2 4.49Å; F80-Y93 AromaticContact CE1-CE1 3.71Å; F80-Y93 HydrophobicContact CE1-CE1 3.71Å; F80-Y93 AromaticContact CE1-CG 3.84Å; F80-Y93 HydrophobicContact CE1-CG 3.84Å; F80-Y93 AromaticContact CZ-CD1 3.85Å; F80-Y93 HydrophobicContact CZ-CD1 3.85Å; F80-Y93 AromaticContact CZ-CE1 3.73Å; F80-Y93 HydrophobicContact CZ-CE1 3.73Å; I82-Y93 HydrophobicContact CD1-CE1 4.42Å; I82-Y93 HydrophobicContact CD1-CE2 4.18Å; D89-Y93 WeakPolarHBondContact O-CE2 3.4Å; D89-Y93 PolarHBondContact O-OH 2.82Å; A91-Y93 HydrophobicContact CB-CE2 3.99Å; A91-Y93 WeakPolarHBondContact O-CD2 3.37Å; A91-Y93 WeakPolarHBondContact O-CE2 3.38Å
94	Y	95	Very high	94.8	Very high	33 Å²	33	52.2 Å²	52.2	13%	0.129	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	153.2	175.2	65.2	-94.7	0	0	0	111.8	Q13 Y43 Q45 P51 A105 T106	Q13-Y94 VanDerWaalsContact OE1-CA 3.31Å; Y43-Y94 VanDerWaalsContact CB-CE2 3.47Å; Y43-Y94 HydrophobicContact CD1-CE2 4.38Å; Y43-Y94 HydrophobicContact CD2-CD2 4.05Å; Y43-Y94 AromaticContact CD2-CE2 3.53Å; Y43-Y94 HydrophobicContact CD2-CE2 3.53Å; Y43-Y94 HydrophobicContact CE2-CE2 4.38Å; Y43-Y94 HydrophobicContact CG-CD2 4.27Å; Y43-Y94 HydrophobicContact CG-CE1 4.45Å; Y43-Y94 AromaticContact CG-CE2 3.54Å; Y43-Y94 HydrophobicContact CG-CE2 3.54Å; Y43-Y94 AromaticContact CG-CZ 3.67Å; Y43-Y94 PolarHBondContact N-O 2.76Å; Y43-Y94 PolarHBondContact O-N 3.48Å; Y43-Y94 VanDerWaalsContact O-N 3.08Å; Q45-Y94 HydrophobicContact CB-CE1 4.44Å; P51-Y94 HydrophobicContact CB-CE1 3.7Å; P51-Y94 WeakPolarHBondContact CB-OH 3.37Å; P51-Y94 HydrophobicContact CG-CE1 3.93Å; P51-Y94 WeakPolarHBondContact CG-OH 3.44Å; Y94-A105 HydrophobicContact CD2-CB 4.25Å; Y94-T106 WeakPolarHBondContact CB-OG1 3.29Å
95	C	97.1	Very high	94.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	148.7	176.7	57.2	0	0	0	0	111	C30 L40 H41 W42 A105 T106	C30-C95 HydrophobicContact CB-CB 3.65Å; C30-C95 WeakPolarHBondContact CB-SG 3.12Å; C30-C95 WeakPolarHBondContact SG-CB 3.48Å; C30-C95 CovalentContact SG-SG 2.01Å; C30-C95 PolarHBondContact SG-SG 2.94Å; L40-C95 HydrophobicContact CD1-CB 4Å; L40-C95 HydrophobicContact CD2-CB 4.11Å; L40-C95 HydrophobicContact CG-CB 4.24Å; H41-C95 CarbonylContact O-C 3.01Å; H41-C95 VanDerWaalsContact O-CA 3.3Å; H41-C95 WeakPolarHBondContact O-CA 3.49Å; W42-C95 HydrophobicContact CD2-CB 4.25Å; W42-C95 HydrophobicContact CE3-CB 3.86Å; W42-C95 HydrophobicContact CH2-CB 4.1Å; W42-C95 HydrophobicContact CZ2-CB 4.44Å; W42-C95 HydrophobicContact CZ3-CB 3.79Å; C95-A105 VanDerWaalsContact O-CA 3.25Å; C95-A105 WeakPolarHBondContact O-CA 3.43Å; C95-T106 PolarHBondContact N-OG1 2.81Å; C95-T106 PolarHBondContact O-N 2.89Å; C95-T106 VanDerWaalsContact O-N 3.07Å; C95-T106 WeakPolarHBondContact SG-CG2 3.4Å
96	Q	97.5	Very high	94.2	Very high	33 Å²	33	51.2 Å²	51.2	15%	0.154	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	137.7	177.6	-176	-136.8	-60.6	0	0	110	L40 H41 Y43 H103 T104 A105	L40-Q96 WeakPolarHBondContact CA-O 3.37Å; H41-Q96 PolarHBondContact N-O 2.85Å; H41-Q96 PolarHBondContact O-N 3.21Å; Y43-Q96 HydrophobicContact CD2-CB 4.4Å; Y43-Q96 HydrophobicContact CE2-CB 3.92Å; Y43-Q96 PolarHBondContact OH-OE1 2.73Å; Q96-H103 HydrophobicContact CG-CB 4.46Å; Q96-T104 CarbonylContact C-O 3.49Å; Q96-T104 VanDerWaalsContact CA-O 3.31Å; Q96-T104 WeakPolarHBondContact CA-O 3.41Å; Q96-T104 WeakPolarHBondContact CG-O 3.44Å; Q96-A105 HydrophobicContact CB-CB 3.98Å; Q96-A105 HydrophobicContact CG-CB 4.08Å
97	Q	97.2	Very high	92.9	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	140.6	170.3	67.4	79.4	17.7	0	0	112	I9 M11 I36 Y39 K100 P102 H103 T104	I9-Q97 HydrophobicContact CB-CG 4.1Å; I9-Q97 HydrophobicContact CD1-CG 4.46Å; I9-Q97 HydrophobicContact CG2-CG 4.03Å; M11-Q97 HydrophobicContact CE-CB 4.34Å; M11-Q97 HydrophobicContact CG-CG 4.35Å; M11-Q97 HydrophobicContact SD-CB 3.74Å; M11-Q97 HydrophobicContact SD-CG 3.78Å; I36-Q97 HydrophobicContact CD1-CB 3.6Å; I36-Q97 HydrophobicContact CG2-CB 4.13Å; Y39-Q97 CarbonylContact O-C 3.56Å; Y39-Q97 WeakPolarHBondContact O-CA 3.33Å; Q97-K100 PolarHBondContact NE2-O 3.36Å; Q97-K100 PolarHBondContact OE1-O 3.33Å; Q97-P102 PolarHBondContact NE2-O 3.26Å; Q97-H103 PolarHBondContact O-ND1 2.92Å; Q97-T104 WeakPolarHBondContact CG-OG1 3.46Å; Q97-T104 PolarHBondContact N-O 3.31Å; Q97-T104 VanDerWaalsContact NE2-N 3.15Å; Q97-T104 PolarHBondContact NE2-OG1 3.43Å
98	G	95.6	Very high	91.2	Very high	20 Å²	20	51.7 Å²	51.7	21%	0.206	29%	0.292	C	S	.	.			trans	-108.2	-2.1	175.8	0	0	0	0	0	113.9	Y39 H103	Y39-G98 PolarHBondContact O-N 3.12Å; G98-H103 WeakPolarHBondContact CA-ND1 3.47Å; G98-H103 PolarHBondContact O-CE1 2.84Å
99	N	95.1	Very high	88.8	Confident	74 Å²	74	53 Å²	53	40%	0.396	30%	0.303	S	S	.	.	S	Bend	trans	-74.9	-38	-169.5	-174.9	61.6	0	0	0	113.6	I36 Y39	I36-N99 HydrophobicContact CB-CB 3.67Å; I36-N99 HydrophobicContact CG2-CB 3.84Å; Y39-N99 HydrophobicContact CD2-CB 4.26Å; Y39-N99 HydrophobicContact CG-CB 4.44Å
100	K	91.9	Very high	86	Confident	49 Å²	49	62 Å²	62	21%	0.213	34%	0.341	C	S	.	.	S	Bend	trans	-136.9	141.2	-174.2	-169	-170.6	166.1	-160.9	0	110.1	R6 G7 I9 Q97 P102	R6-K100 PolarHBondContact O-NZ 2.98Å; G7-K100 PolarHBondContact O-NZ 2.72Å; I9-K100 HydrophobicContact CD1-CB 3.82Å; I9-K100 HydrophobicContact CD1-CD 4.43Å; I9-K100 HydrophobicContact CG1-CB 4.48Å; I9-K100 HydrophobicContact CG1-CD 4.41Å; Q97-K100 PolarHBondContact NE2-O 3.36Å; Q97-K100 PolarHBondContact OE1-O 3.33Å; K100-P102 CarbonylContact O-C 3.58Å; K100-P102 VanDerWaalsContact O-C 3.24Å
101	H	89.7	Confident	83	Confident	141 Å²	141	69.4 Å²	69.4	65%	0.653	37%	0.371	S	S	*	.	S	Bend	trans	-79.3	140.1	168.3	-89.3	57.8	0	0	0	110.9	H103	H101-H103 AromaticContact CE1-CD2 3.69Å; H101-H103 AromaticContact CE1-CE1 3.59Å; H101-H103 AromaticContact CE1-NE2 3.08Å; H101-H103 PolarHBondContact CE1-NE2 2.86Å; H101-H103 AromaticContact ND1-CE1 3.65Å; H101-H103 AromaticContact ND1-NE2 3.62Å; H101-H103 AromaticContact NE2-NE2 3.87Å
102	P	90.8	Very high	82.4	Confident	59 Å²	59	71.5 Å²	71.5	38%	0.383	38%	0.378	S	S	.	.	S	Bend	cis	-70.9	148.3	-3.8	31.6	-34.6	0	0	0	111.8	D8 Q97 K100 T104	D8-P102 HydrophobicContact CB-CG 4.42Å; D8-P102 WeakPolarHBondContact OD1-CD 3.14Å; D8-P102 WeakPolarHBondContact OD1-CG 3.33Å; Q97-P102 PolarHBondContact NE2-O 3.26Å; K100-P102 CarbonylContact O-C 3.58Å; K100-P102 VanDerWaalsContact O-C 3.24Å; P102-T104 HydrophobicContact CG-CG2 4.38Å; P102-T104 PolarHBondContact O-N 2.84Å
103	H	92.1	Very high	81.7	Confident	89 Å²	89	71.7 Å²	71.7	41%	0.412	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-66.6	119.1	169.9	-67.3	-43.7	0	0	0	109.6	Q96 Q97 G98 H101	Q96-H103 HydrophobicContact CG-CB 4.46Å; Q97-H103 PolarHBondContact O-ND1 2.92Å; G98-H103 WeakPolarHBondContact CA-ND1 3.47Å; G98-H103 PolarHBondContact O-CE1 2.84Å; H101-H103 AromaticContact CE1-CD2 3.69Å; H101-H103 AromaticContact CE1-CE1 3.59Å; H101-H103 AromaticContact CE1-NE2 3.08Å; H101-H103 PolarHBondContact CE1-NE2 2.86Å; H101-H103 AromaticContact ND1-CE1 3.65Å; H101-H103 AromaticContact ND1-NE2 3.62Å; H101-H103 AromaticContact NE2-NE2 3.87Å
104	T	93.3	Very high	80.9	Confident	26 Å²	26	74.6 Å²	74.6	16%	0.16	39%	0.392	C	S	.	.			trans	-110.5	142.5	-176.3	48.9	0	0	0	0	110.1	D8 I9 Q96 Q97 P102	D8-T104 HydrophobicContact CB-CG2 4.32Å; I9-T104 WeakPolarHBondContact O-CB 3.26Å; I9-T104 WeakPolarHBondContact O-CG2 3.46Å; I9-T104 PolarHBondContact O-OG1 3.19Å; Q96-T104 CarbonylContact C-O 3.49Å; Q96-T104 VanDerWaalsContact CA-O 3.31Å; Q96-T104 WeakPolarHBondContact CA-O 3.41Å; Q96-T104 WeakPolarHBondContact CG-O 3.44Å; Q97-T104 WeakPolarHBondContact CG-OG1 3.46Å; Q97-T104 PolarHBondContact N-O 3.31Å; Q97-T104 VanDerWaalsContact NE2-N 3.15Å; Q97-T104 PolarHBondContact NE2-OG1 3.43Å; P102-T104 HydrophobicContact CG-CG2 4.38Å; P102-T104 PolarHBondContact O-N 2.84Å
105	A	92.1	Very high	80.1	Confident	43 Å²	43	77 Å²	77	36%	0.355	41%	0.408	S	S	.	.	B	Isolated β-bridge	trans	-127.2	163.1	178.9	0	0	0	0	0	110.3	Y94 C95 Q96 T107	Y94-A105 HydrophobicContact CD2-CB 4.25Å; C95-A105 VanDerWaalsContact O-CA 3.25Å; C95-A105 WeakPolarHBondContact O-CA 3.43Å; Q96-A105 HydrophobicContact CB-CB 3.98Å; Q96-A105 HydrophobicContact CG-CB 4.08Å; A105-T107 PolarHBondContact O-N 3.1Å
106	T	88.4	Confident	79	Confident	13 Å²	13	81.8 Å²	81.8	8%	0.08	43%	0.433	C	S	.	.			trans	-65.1	127.8	171.7	45.6	0	0	0	0	109.6	M11 Q13 Y94 C95 Q108	M11-T106 HydrophobicContact CB-CG2 3.67Å; M11-T106 WeakPolarHBondContact O-CG2 3.26Å; Q13-T106 HydrophobicContact CB-CG2 3.75Å; Q13-T106 PolarHBondContact OE1-OG1 3.18Å; Y94-T106 WeakPolarHBondContact CB-OG1 3.29Å; C95-T106 PolarHBondContact N-OG1 2.81Å; C95-T106 PolarHBondContact O-N 2.89Å; C95-T106 VanDerWaalsContact O-N 3.07Å; C95-T106 WeakPolarHBondContact SG-CG2 3.4Å; T106-Q108 PolarHBondContact O-N 3Å
107	T	69.2	Low	77.8	Confident	120 Å²	120	85.1 Å²	85.1	74%	0.736	45%	0.452	S	S	*	.			trans	-65.9	124.4	177.6	43.6	0	0	0	0	109.2	A105 N109	A105-T107 PolarHBondContact O-N 3.1Å; T107-N109 PolarHBondContact O-N 2.87Å; T107-N109 VanDerWaalsContact O-N 3.12Å
108	Q	58.2	Low	76.4	Confident	81 Å²	81	91.1 Å²	91.1	38%	0.379	48%	0.484	S	S	.	.			trans	-66	112	165.9	-63.5	-176.9	8.7	0	0	107.2	T92 T106 K110	T92-Q108 HydrophobicContact CG2-CG 4.13Å; T106-Q108 PolarHBondContact O-N 3Å; Q108-K110 PolarHBondContact O-N 3.01Å
109	N	44	Very low	74.9	Confident	136 Å²	136	96.5 Å²	96.5	73%	0.727	51%	0.505	S	S	*	.			trans	-66.1	92.3	164.6	-72.7	-20	0	0	0	106.4	T107 N111	T107-N109 PolarHBondContact O-N 2.87Å; T107-N109 VanDerWaalsContact O-N 3.12Å; N109-N111 VanDerWaalsContact C-N 3.3Å; N109-N111 PolarHBondContact O-N 3.28Å
110	K	36.5	Very low	73.3	Confident	193 Å²	193	98.4 Å²	98.4	84%	0.839	51%	0.514	S	S	*	.			trans	-64.1	97.1	164.8	-76.1	-175.8	177.4	-178.6	0	106.3	Q108	Q108-K110 PolarHBondContact O-N 3.01Å
111	N	32.9	Very low	71.6	Confident	231 Å²	231	102.9 Å²	102.9	100%	1.235	54%	0.542	S	S	*	.			trans	-98.4	0	162.1	-147.4	45.2	0	0	0	108	N109	N109-N111 VanDerWaalsContact C-N 3.3Å; N109-N111 PolarHBondContact O-N 3.28Å

Retrieved 111 of 111 residues in 94.6 ms (Link to these results)

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