A0A075B5K5_MOUSE Loading...

Immunoglobulin kappa variable 2-112

AlphaFold DB , UniProt , Accession A0A075B5K5, Species MOUSE (Mus musculus, Mouse), Gene Igkv2-112, Length 119 aa.

						>A0A075B5K5_MOUSE|A0A075B5K5|Igkv2-112
MRCSLQFLGVLMFWISVSGDIVITQDELSNPVTSGESVSISCRSSKSLLYKDGKTYLNWFLQRPGQSPQLLIYLMSTRASGVSDRFSGSGSGTDFTLEISRVKAEDVGVYYCQQLVEYP
					

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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	39	Very low	47.6	Very low	250 Å²	250	154.4 Å²	154.4	100%	1.232	82%	0.82	S	S	*	*				0	128	0	-76.1	162.5	162.1	0	0	107.7
2	R	42.7	Very low	48.3	Very low	251 Å²	251	155.3 Å²	155.3	95%	0.947	82%	0.82	S	S	*	*			trans	-81.3	141.1	-174.3	-67.8	171.3	165.8	-165.1	-5	110.3
3	C	35.8	Very low	48.8	Very low	135 Å²	135	155.7 Å²	155.7	91%	0.912	81%	0.811	S	S	*	*			trans	169.5	131.9	150	-110.3	0	0	0	0	108.5
4	S	38.6	Very low	48.6	Very low	97 Å²	97	162.4 Å²	162.4	68%	0.678	82%	0.82	S	S	*	*			cis	-164.5	124.5	-14.8	177.3	0	0	0	0	102.5	Q6	S4-Q6 PolarHBondContact O-N 3.48Å; S4-Q6 VanDerWaalsContact O-N 3.09Å
5	L	40.2	Very low	48.9	Very low	147 Å²	147	161.3 Å²	161.3	77%	0.77	82%	0.816	S	S	*	*			trans	-67.7	105.8	170.9	-112	79.7	0	0	0	106.9	F7	L5-F7 VanDerWaalsContact C-N 3.32Å; L5-F7 HydrophobicContact CB-CD2 4.35Å; L5-F7 HydrophobicContact CB-CE2 4.38Å; L5-F7 HydrophobicContact CD2-CD2 4.43Å; L5-F7 HydrophobicContact CD2-CE2 3.81Å; L5-F7 HydrophobicContact CD2-CZ 4.25Å; L5-F7 PolarHBondContact O-N 3.23Å
6	Q	51.8	Low	49.1	Very low	172 Å²	172	158.3 Å²	158.3	80%	0.804	82%	0.815	S	S	*	*			trans	-75.3	93.7	164.2	-66.5	-164.4	20.9	0	0	107.5	S4 L8	S4-Q6 PolarHBondContact O-N 3.48Å; S4-Q6 VanDerWaalsContact O-N 3.09Å; Q6-L8 PolarHBondContact O-N 3.31Å
7	F	50.6	Low	49.5	Very low	177 Å²	177	156.2 Å²	156.2	78%	0.776	81%	0.81	S	S	*	*			trans	-61.1	104	156.9	-83	-91	0	0	0	106.7	L5 G9	L5-F7 VanDerWaalsContact C-N 3.32Å; L5-F7 HydrophobicContact CB-CD2 4.35Å; L5-F7 HydrophobicContact CB-CE2 4.38Å; L5-F7 HydrophobicContact CD2-CD2 4.43Å; L5-F7 HydrophobicContact CD2-CE2 3.81Å; L5-F7 HydrophobicContact CD2-CZ 4.25Å; L5-F7 PolarHBondContact O-N 3.23Å; F7-G9 PolarHBondContact O-N 3.08Å
8	L	53.4	Low	50.6	Low	152 Å²	152	152.2 Å²	152.2	80%	0.796	80%	0.798	S	S	*	*			trans	-63.8	92.6	158.5	-119	92.2	0	0	0	105.8	Q6 V10	Q6-L8 PolarHBondContact O-N 3.31Å; L8-V10 VanDerWaalsContact C-N 3.3Å; L8-V10 PolarHBondContact O-N 3Å
9	G	56.9	Low	52	Low	70 Å²	70	146.2 Å²	146.2	72%	0.722	78%	0.776	S	S	*	*			trans	-64.7	94.1	170.5	0	0	0	0	0	108.2	F7 L11	F7-G9 PolarHBondContact O-N 3.08Å; G9-L11 PolarHBondContact O-N 2.88Å
10	V	59.6	Low	53.8	Low	114 Å²	114	145.1 Å²	145.1	69%	0.691	77%	0.771	S	S	*	*			trans	-64.3	106.5	161.7	177.5	0	0	0	0	105.1	L8 M12	L8-V10 VanDerWaalsContact C-N 3.3Å; L8-V10 PolarHBondContact O-N 3Å; V10-M12 VanDerWaalsContact C-N 3.27Å; V10-M12 PolarHBondContact O-N 3.22Å
11	L	54.8	Low	55.7	Low	133 Å²	133	139.1 Å²	139.1	70%	0.696	74%	0.739	S	S	*	*			trans	-57.4	102.3	163.1	-137.7	91.8	0	0	0	104.9	G9 F13	G9-L11 PolarHBondContact O-N 2.88Å; L11-F13 HydrophobicContact CB-CD2 4.35Å; L11-F13 HydrophobicContact CD2-CD2 3.4Å; L11-F13 HydrophobicContact CD2-CE2 3.32Å; L11-F13 HydrophobicContact CD2-CG 4.45Å; L11-F13 HydrophobicContact CD2-CZ 4.34Å; L11-F13 HydrophobicContact CG-CD2 4.39Å; L11-F13 PolarHBondContact O-N 2.82Å
12	M	56.1	Low	58.3	Low	166 Å²	166	131.2 Å²	131.2	82%	0.818	70%	0.704	S	S	*	*			trans	-66.3	76	162.9	-71.2	-97.5	-126.1	0	0	105.5	V10 W14	V10-M12 VanDerWaalsContact C-N 3.27Å; V10-M12 PolarHBondContact O-N 3.22Å; M12-W14 PolarHBondContact O-N 3.33Å
13	F	54.7	Low	60.8	Low	160 Å²	160	121.7 Å²	121.7	70%	0.702	67%	0.672	S	S	*	*			trans	-51.5	127.2	161.8	-113.6	-86.9	0	0	0	105.2	L11 I15	L11-F13 HydrophobicContact CB-CD2 4.35Å; L11-F13 HydrophobicContact CD2-CD2 3.4Å; L11-F13 HydrophobicContact CD2-CE2 3.32Å; L11-F13 HydrophobicContact CD2-CG 4.45Å; L11-F13 HydrophobicContact CD2-CZ 4.34Å; L11-F13 HydrophobicContact CG-CD2 4.39Å; L11-F13 PolarHBondContact O-N 2.82Å; F13-I15 VanDerWaalsContact O-CG1 3.27Å; F13-I15 WeakPolarHBondContact O-CG1 3.42Å; F13-I15 PolarHBondContact O-N 3.3Å
14	W	46.9	Very low	63.8	Low	249 Å²	249	118.9 Å²	118.9	94%	0.943	65%	0.651	S	S	*	*			trans	-63.4	87.9	179.8	-66.5	59.2	0	0	0	107.4	M12 S16	M12-W14 PolarHBondContact O-N 3.33Å; W14-S16 PolarHBondContact O-N 3.24Å
15	I	51.9	Low	66.4	Low	146 Å²	146	117.1 Å²	117.1	75%	0.749	63%	0.632	S	S	*	*			trans	-72	91.1	172.7	-28.4	177.1	0	0	0	104.5	F13 V17	F13-I15 VanDerWaalsContact O-CG1 3.27Å; F13-I15 WeakPolarHBondContact O-CG1 3.42Å; F13-I15 PolarHBondContact O-N 3.3Å; I15-V17 HydrophobicContact CB-CG2 4.31Å; I15-V17 HydrophobicContact CG2-CG2 3.99Å; I15-V17 PolarHBondContact O-N 2.83Å
16	S	51.9	Low	68.7	Low	114 Å²	114	115.2 Å²	115.2	80%	0.797	62%	0.622	S	S	*	*			trans	-70.7	87.3	165.8	-158.5	0	0	0	0	105.8	W14 S18	W14-S16 PolarHBondContact O-N 3.24Å; S16-S18 PolarHBondContact O-N 3.21Å
17	V	56.6	Low	70.2	Confident	122 Å²	122	116.1 Å²	116.1	74%	0.739	63%	0.627	S	S	*	*			trans	-70	91.5	171.4	-175.5	0	0	0	0	105.6	I15 G19	I15-V17 HydrophobicContact CB-CG2 4.31Å; I15-V17 HydrophobicContact CG2-CG2 3.99Å; I15-V17 PolarHBondContact O-N 2.83Å; V17-G19 VanDerWaalsContact C-N 3.31Å; V17-G19 PolarHBondContact O-N 2.79Å
18	S	68.5	Low	71.7	Confident	85 Å²	85	112 Å²	112	59%	0.594	61%	0.612	S	S	*	*			trans	-72.3	91.2	172.8	179.4	0	0	0	0	107.8	S16 K46	S16-S18 PolarHBondContact O-N 3.21Å; S18-K46 PolarHBondContact OG-NZ 3.08Å
19	G	77.7	Confident	72.7	Confident	37 Å²	37	109.9 Å²	109.9	38%	0.381	61%	0.61	S	S	.	*			trans	-78.3	167.9	171.6	0	0	0	0	0	112.5	V17 K46	V17-G19 VanDerWaalsContact C-N 3.31Å; V17-G19 PolarHBondContact O-N 2.79Å; G19-K46 WeakPolarHBondContact O-CE 3.35Å; G19-K46 PolarHBondContact O-NZ 3.33Å
20	D	88.9	Confident	73.9	Confident	125 Å²	125	112 Å²	112	67%	0.668	61%	0.605	S	S	*	*			trans	-57.8	154.2	-176.1	-54.8	-15.4	0	0	0	113.4	V22	D20-V22 PolarHBondContact O-N 3.25Å
21	I	92.8	Very high	75	Confident	19 Å²	19	112.5 Å²	112.5	10%	0.097	61%	0.61	C	S	.	*			trans	-70.8	115.8	169.3	-60	170.4	0	0	0	109.7	I23 K46 L48 Q114 V116 E117	I21-I23 HydrophobicContact CG2-CD1 4.44Å; I21-K46 HydrophobicContact CG1-CB 4.26Å; I21-K46 HydrophobicContact CG1-CD 4.12Å; I21-K46 HydrophobicContact CG1-CG 4.47Å; I21-L48 HydrophobicContact CD1-CD2 4.04Å; I21-L48 HydrophobicContact CG2-CD2 3.98Å; I21-Q114 HydrophobicContact CB-CG 4.19Å; I21-Q114 HydrophobicContact CG2-CG 3.79Å; I21-V116 HydrophobicContact CD1-CB 3.87Å; I21-V116 HydrophobicContact CD1-CG1 3.98Å; I21-E117 HydrophobicContact CD1-CB 3.97Å; I21-E117 HydrophobicContact CG1-CB 4.41Å; I21-E117 WeakPolarHBondContact CG1-OE2 3.27Å; I21-E117 PolarHBondContact N-OE2 3.01Å
22	V	94.3	Very high	76.7	Confident	84 Å²	84	109 Å²	109	51%	0.509	59%	0.594	S	S	.	*			trans	-94.1	136.5	175.8	-179	0	0	0	0	109.2	D20 S44 S45	D20-V22 PolarHBondContact O-N 3.25Å; V22-S44 CarbonylContact O-C 3.55Å; V22-S44 WeakPolarHBondContact O-CA 3.38Å; V22-S45 PolarHBondContact N-OG 2.88Å; V22-S45 PolarHBondContact O-N 3.14Å
23	I	95.8	Very high	78.4	Confident	52 Å²	52	105.1 Å²	105.1	27%	0.267	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.4	130.1	174.8	-63.9	-60.5	0	0	0	109.5	I21 R43 C112 Q114	I21-I23 HydrophobicContact CG2-CD1 4.44Å; I23-R43 WeakPolarHBondContact CA-O 3.12Å; I23-C112 WeakPolarHBondContact CG2-SG 2.99Å; I23-Q114 HydrophobicContact CD1-CB 4.04Å; I23-Q114 HydrophobicContact CD1-CG 4.01Å; I23-Q114 HydrophobicContact CG1-CG 4.07Å
24	T	96.9	Very high	80.3	Confident	76 Å²	76	102 Å²	102	47%	0.466	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.8	128.8	176	-53.9	0	0	0	0	109	C42 R43	T24-C42 WeakPolarHBondContact O-CA 3.3Å; T24-R43 PolarHBondContact N-O 2.99Å; T24-R43 PolarHBondContact O-N 2.88Å
25	Q	95.1	Very high	82.6	Confident	60 Å²	60	92.4 Å²	92.4	28%	0.28	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.1	140.8	172.4	-72.3	-178	-114.4	0	0	109.4	C42 Y110 C112	Q25-C42 HydrophobicContact CG-CB 4.19Å; Q25-Y110 PolarHBondContact NE2-O 3.47Å; Q25-C112 VanDerWaalsContact CD-SG 3.6Å; Q25-C112 VanDerWaalsContact CG-SG 3.52Å
26	D	87.3	Confident	84.7	Confident	107 Å²	107	90.1 Å²	90.1	57%	0.572	54%	0.543	S	S	*	.			trans	-82.3	137.3	174.4	-63.2	-37.7	0	0	0	109.5
27	E	83.9	Confident	86.8	Confident	191 Å²	191	88.2 Å²	88.2	89%	0.893	53%	0.53	S	S	*	.			trans	-70.6	134.4	172	-70.9	-169.9	168.7	0	0	110.2	S29	E27-S29 PolarHBondContact O-N 2.82Å; E27-S29 VanDerWaalsContact O-N 3.11Å
28	L	81.9	Confident	88.7	Confident	90 Å²	90	83.2 Å²	83.2	47%	0.471	50%	0.499	S	S	.	.			trans	-69.5	107.1	168.6	-102.5	141.8	0	0	0	109.2	N30 V32 V38 I40	L28-N30 VanDerWaalsContact C-N 3.33Å; L28-N30 PolarHBondContact O-N 2.91Å; L28-V32 HydrophobicContact CD2-CG2 4.18Å; L28-V38 HydrophobicContact CD1-CG2 3.84Å; L28-V38 HydrophobicContact CD2-CG2 3.4Å; L28-V38 HydrophobicContact CG-CG2 4.22Å; L28-I40 HydrophobicContact CD1-CD1 4.41Å; L28-I40 HydrophobicContact CD1-CG1 3.54Å
29	S	75	Confident	90	Very high	107 Å²	107	82.5 Å²	82.5	75%	0.748	49%	0.494	S	S	*	.			trans	-76.4	-19.8	-175.2	67.8	0	0	0	0	113.9	E27	E27-S29 PolarHBondContact O-N 2.82Å; E27-S29 VanDerWaalsContact O-N 3.11Å
30	N	80.7	Confident	90.9	Very high	115 Å²	115	81.1 Å²	81.1	62%	0.615	48%	0.478	S	S	*	.	S	Bend	trans	-119.1	138.2	-172.7	-64.6	-18.5	0	0	0	111.1	L28	L28-N30 VanDerWaalsContact C-N 3.33Å; L28-N30 PolarHBondContact O-N 2.91Å
31	P	84	Confident	91.2	Very high	125 Å²	125	77.5 Å²	77.5	81%	0.812	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-61.5	140.4	170.2	26	-31.4	0	0	0	109.9
32	V	89.9	Confident	91.5	Very high	58 Å²	58	76.7 Å²	76.7	35%	0.352	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-98.5	130.9	-179.5	-177.1	0	0	0	0	109.1	L28 E36 V38 V102	L28-V32 HydrophobicContact CD2-CG2 4.18Å; V32-E36 HydrophobicContact CG1-CB 4.26Å; V32-V38 HydrophobicContact CG1-CB 4.14Å; V32-V38 HydrophobicContact CG2-CB 3.98Å; V32-V38 HydrophobicContact CG2-CG2 3.75Å; V32-V102 HydrophobicContact CG1-CB 4.11Å; V32-V102 HydrophobicContact CG1-CG1 4.12Å; V32-V102 HydrophobicContact CG1-CG2 3.98Å
33	T	92.6	Very high	91.6	Very high	86 Å²	86	78.6 Å²	78.6	53%	0.528	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-82.4	145.1	177.6	-47.3	0	0	0	0	110.2	G35 E36	T33-G35 PolarHBondContact O-N 2.79Å; T33-E36 WeakPolarHBondContact CA-OE2 3.43Å; T33-E36 VanDerWaalsContact CB-CD 3.49Å; T33-E36 WeakPolarHBondContact CB-OE2 3.24Å; T33-E36 PolarHBondContact N-OE2 3.2Å; T33-E36 WeakPolarHBondContact O-CB 3.39Å; T33-E36 PolarHBondContact O-N 2.69Å; T33-E36 VanDerWaalsContact O-N 3.08Å; T33-E36 PolarHBondContact OG1-OE2 2.83Å
34	S	94.3	Very high	91.7	Very high	93 Å²	93	76.3 Å²	76.3	65%	0.65	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	133.6	172.4	-175.7	0	0	0	0	110.6	E36 V102	S34-E36 VanDerWaalsContact C-N 3.32Å; S34-V102 CarbonylContact C-O 3.57Å; S34-V102 WeakPolarHBondContact CA-O 3.31Å; S34-V102 PolarHBondContact OG-O 3.07Å
35	G	94.9	Very high	91.7	Very high	48 Å²	48	76 Å²	76	50%	0.495	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.9	-14.9	-178.1	0	0	0	0	0	114.9	T33 R101 V102	T33-G35 PolarHBondContact O-N 2.79Å; G35-R101 WeakPolarHBondContact O-CA 3.41Å; G35-V102 PolarHBondContact N-O 2.91Å
36	E	96	Very high	91.6	Very high	98 Å²	98	76.4 Å²	76.4	46%	0.458	45%	0.447	S	S	.	.			trans	-73.9	165.5	173.5	-66.2	-177.5	143.7	0	0	111.5	V32 T33 S34 R101 V102	V32-E36 HydrophobicContact CG1-CB 4.26Å; T33-E36 WeakPolarHBondContact CA-OE2 3.43Å; T33-E36 VanDerWaalsContact CB-CD 3.49Å; T33-E36 WeakPolarHBondContact CB-OE2 3.24Å; T33-E36 PolarHBondContact N-OE2 3.2Å; T33-E36 WeakPolarHBondContact O-CB 3.39Å; T33-E36 PolarHBondContact O-N 2.69Å; T33-E36 VanDerWaalsContact O-N 3.08Å; T33-E36 PolarHBondContact OG1-OE2 2.83Å; S34-E36 VanDerWaalsContact C-N 3.32Å; E36-R101 WeakPolarHBondContact O-CA 3.35Å; E36-R101 PolarHBondContact O-N 2.95Å; E36-R101 VanDerWaalsContact O-N 3.17Å; E36-V102 WeakPolarHBondContact O-CG2 3.37Å; E36-V102 PolarHBondContact O-N 2.82Å
37	S	96.2	Very high	92	Very high	75 Å²	75	74.3 Å²	74.3	52%	0.524	44%	0.441	S	S	.	.			trans	-98.9	143.9	167.6	-65.8	0	0	0	0	109.7	I99 S100	S37-I99 CarbonylContact C-O 3.56Å; S37-I99 VanDerWaalsContact CA-O 3.26Å; S37-I99 WeakPolarHBondContact CA-O 3.17Å; S37-S100 WeakPolarHBondContact OG-CA 3.39Å
38	V	95.6	Very high	92.5	Very high	17 Å²	17	65.2 Å²	65.2	10%	0.103	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	149.5	174.1	66.1	0	0	0	0	110.6	L28 V32 E98 I99 V102	L28-V38 HydrophobicContact CD1-CG2 3.84Å; L28-V38 HydrophobicContact CD2-CG2 3.4Å; L28-V38 HydrophobicContact CG-CG2 4.22Å; V32-V38 HydrophobicContact CG1-CB 4.14Å; V32-V38 HydrophobicContact CG2-CB 3.98Å; V32-V38 HydrophobicContact CG2-CG2 3.75Å; V38-E98 WeakPolarHBondContact O-CA 3.41Å; V38-I99 HydrophobicContact CG1-CB 3.88Å; V38-I99 HydrophobicContact CG1-CD1 4.04Å; V38-I99 HydrophobicContact CG1-CG1 4.2Å; V38-I99 PolarHBondContact N-O 2.74Å; V38-I99 PolarHBondContact O-N 3.16Å; V38-V102 HydrophobicContact CB-CG2 4.48Å; V38-V102 HydrophobicContact CG1-CG2 3.73Å
39	S	95.5	Very high	93.2	Very high	69 Å²	69	65.6 Å²	65.6	48%	0.483	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	135.6	172.3	-68.6	0	0	0	0	110.1	L97	S39-L97 CarbonylContact C-O 3.48Å; S39-L97 WeakPolarHBondContact CA-O 3.33Å
40	I	96.6	Very high	94.1	Very high	8 Å²	8	65.7 Å²	65.7	4%	0.041	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	123.9	176.6	-60	155.5	0	0	0	107.4	L28 W59 T96 L97 I99 Y110	L28-I40 HydrophobicContact CD1-CD1 4.41Å; L28-I40 HydrophobicContact CD1-CG1 3.54Å; I40-W59 HydrophobicContact CB-CH2 4.38Å; I40-W59 HydrophobicContact CB-CZ3 4.34Å; I40-W59 HydrophobicContact CG2-CH2 3.97Å; I40-W59 HydrophobicContact CG2-CZ3 3.77Å; I40-W59 WeakPolarHBondContact O-CH2 3.36Å; I40-T96 CarbonylContact O-C 3.59Å; I40-T96 VanDerWaalsContact O-CA 3.31Å; I40-T96 WeakPolarHBondContact O-CA 3.36Å; I40-L97 HydrophobicContact CB-CB 4.37Å; I40-L97 HydrophobicContact CD1-CD2 4.1Å; I40-L97 PolarHBondContact N-O 2.8Å; I40-L97 PolarHBondContact O-N 3.39Å; I40-I99 HydrophobicContact CD1-CD1 4Å; I40-Y110 HydrophobicContact CD1-CD1 3.86Å; I40-Y110 HydrophobicContact CD1-CD2 3.8Å; I40-Y110 HydrophobicContact CD1-CE1 4.35Å; I40-Y110 HydrophobicContact CD1-CE2 4.32Å; I40-Y110 HydrophobicContact CD1-CG 3.55Å
41	S	96.9	Very high	94.8	Very high	49 Å²	49	69.7 Å²	69.7	34%	0.343	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	144.1	-178	-66	0	0	0	0	112.1
42	C	97.4	Very high	95.3	Very high	2 Å²	2	67.3 Å²	67.3	1%	0.014	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	126.2	175.7	172.9	0	0	0	0	109.3	T24 Q25 W59 F95 C112	T24-C42 WeakPolarHBondContact O-CA 3.3Å; Q25-C42 HydrophobicContact CG-CB 4.19Å; C42-W59 HydrophobicContact CB-CH2 3.43Å; C42-W59 VanDerWaalsContact CB-CH2 3.43Å; C42-W59 HydrophobicContact CB-CZ2 3.6Å; C42-W59 HydrophobicContact CB-CZ3 4.37Å; C42-F95 HydrophobicContact CB-CB 4.21Å; C42-F95 PolarHBondContact N-O 3.26Å; C42-F95 WeakPolarHBondContact O-CB 3.31Å; C42-F95 PolarHBondContact O-N 3.43Å; C42-C112 HydrophobicContact CB-CB 3.62Å; C42-C112 WeakPolarHBondContact CB-SG 3.44Å; C42-C112 WeakPolarHBondContact SG-CB 3.27Å; C42-C112 CovalentContact SG-SG 2.02Å; C42-C112 PolarHBondContact SG-SG 3.24Å
43	R	97.9	Very high	95.5	Very high	124 Å²	124	67.2 Å²	67.2	47%	0.468	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	132.8	179.1	-173.9	-177.1	-62.5	-71.2	-13.9	110.1	I23 T24 T93 D94	I23-R43 WeakPolarHBondContact CA-O 3.12Å; T24-R43 PolarHBondContact N-O 2.99Å; T24-R43 PolarHBondContact O-N 2.88Å; R43-T93 CarbonylContact C-O 3.51Å; R43-T93 VanDerWaalsContact CA-O 3.23Å; R43-T93 WeakPolarHBondContact CA-O 3.42Å; R43-D94 IonicContact CZ-OD1 3.86Å; R43-D94 VanDerWaalsContact NH1-CG 3.29Å; R43-D94 IonicContact NH1-OD1 2.69Å; R43-D94 PolarHBondContact NH1-OD1 3.37Å; R43-D94 IonicContact NH1-OD2 2.82Å; R43-D94 PolarHBondContact NH1-OD2 3.2Å; R43-D94 IonicContact NH2-OD1 3.23Å; R43-D94 PolarHBondContact NH2-OD1 3.48Å
44	S	96.9	Very high	95.7	Very high	5 Å²	5	68.1 Å²	68.1	4%	0.035	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	149.3	169.8	61.8	0	0	0	0	111.4	V22 K46 T93	V22-S44 CarbonylContact O-C 3.55Å; V22-S44 WeakPolarHBondContact O-CA 3.38Å; S44-K46 WeakPolarHBondContact CB-O 3.39Å; S44-K46 PolarHBondContact O-N 2.96Å; S44-K46 PolarHBondContact OG-O 2.84Å; S44-T93 PolarHBondContact N-O 3.49Å; S44-T93 WeakPolarHBondContact O-CB 3.44Å; S44-T93 WeakPolarHBondContact O-CG2 3.33Å; S44-T93 WeakPolarHBondContact OG-CA 3.25Å
45	S	96	Very high	95.8	Very high	70 Å²	70	64.9 Å²	64.9	49%	0.49	36%	0.362	S	S	.	.	S	Bend	trans	-70.3	-18.8	176.4	64.5	0	0	0	0	113.7	V22	V22-S45 PolarHBondContact N-OG 2.88Å; V22-S45 PolarHBondContact O-N 3.14Å
46	K	94.1	Very high	95.9	Very high	67 Å²	67	65.4 Å²	65.4	29%	0.291	35%	0.349	S	S	.	.	S	Bend	trans	-138.5	160.9	179.3	-58.9	-176.7	-170.1	168.8	0	110.8	S18 G19 I21 S44 L48	S18-K46 PolarHBondContact OG-NZ 3.08Å; G19-K46 WeakPolarHBondContact O-CE 3.35Å; G19-K46 PolarHBondContact O-NZ 3.33Å; I21-K46 HydrophobicContact CG1-CB 4.26Å; I21-K46 HydrophobicContact CG1-CD 4.12Å; I21-K46 HydrophobicContact CG1-CG 4.47Å; S44-K46 WeakPolarHBondContact CB-O 3.39Å; S44-K46 PolarHBondContact O-N 2.96Å; S44-K46 PolarHBondContact OG-O 2.84Å; K46-L48 PolarHBondContact O-N 2.86Å
47	S	95.1	Very high	95.9	Very high	63 Å²	63	60.7 Å²	60.7	44%	0.441	33%	0.327	S	S	.	.			trans	-57.3	133.2	173.7	-177.8	0	0	0	0	111.2	L49 G92	S47-L49 WeakPolarHBondContact OG-CB 3.41Å; S47-L49 PolarHBondContact OG-N 2.86Å; S47-G92 WeakPolarHBondContact CA-O 3.27Å
48	L	95.7	Very high	96	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.307	C	S	.	.			trans	-94.8	5.4	174	-54.8	-172.9	0	0	0	113.5	I21 K46 Y50 T55 Y56 L57 G92 F95 Q114 V116	I21-L48 HydrophobicContact CD1-CD2 4.04Å; I21-L48 HydrophobicContact CG2-CD2 3.98Å; K46-L48 PolarHBondContact O-N 2.86Å; L48-Y50 PolarHBondContact O-N 2.82Å; L48-T55 HydrophobicContact CB-CG2 3.96Å; L48-T55 WeakPolarHBondContact O-CA 3.15Å; L48-Y56 PolarHBondContact O-N 2.81Å; L48-Y56 VanDerWaalsContact O-N 3.16Å; L48-L57 HydrophobicContact CD1-CB 4.05Å; L48-L57 HydrophobicContact CD1-CD1 3.47Å; L48-L57 VanDerWaalsContact CD1-CD1 3.47Å; L48-L57 HydrophobicContact CD1-CG 4.37Å; L48-G92 PolarHBondContact N-O 3.36Å; L48-F95 HydrophobicContact CB-CE2 4.44Å; L48-F95 HydrophobicContact CB-CZ 3.95Å; L48-F95 HydrophobicContact CD1-CD2 4.29Å; L48-F95 HydrophobicContact CD1-CE2 3.41Å; L48-F95 VanDerWaalsContact CD1-CE2 3.41Å; L48-F95 HydrophobicContact CD1-CZ 3.7Å; L48-F95 HydrophobicContact CG-CE2 3.81Å; L48-F95 HydrophobicContact CG-CZ 3.82Å; L48-Q114 HydrophobicContact CD1-CB 3.69Å; L48-Q114 HydrophobicContact CD2-CB 3.66Å; L48-Q114 HydrophobicContact CD2-CG 4.37Å; L48-Q114 HydrophobicContact CG-CB 4.33Å; L48-V116 HydrophobicContact CB-CG2 4.16Å; L48-V116 HydrophobicContact CD2-CG2 4.13Å
49	L	95.9	Very high	96.2	Very high	99 Å²	99	57.3 Å²	57.3	52%	0.518	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-71.1	114.4	172.6	-176.7	66	0	0	0	109.3	S47 G53	S47-L49 WeakPolarHBondContact OG-CB 3.41Å; S47-L49 PolarHBondContact OG-N 2.86Å; L49-G53 WeakPolarHBondContact CD1-O 3.47Å
50	Y	93.9	Very high	96.3	Very high	108 Å²	108	55.8 Å²	55.8	42%	0.424	29%	0.287	S	S	.	.			trans	-88.8	169.8	178.9	-160.1	-114.4	0	0	0	111.8	L48 D52 G53 K54 Y56 V116	L48-Y50 PolarHBondContact O-N 2.82Å; Y50-D52 PolarHBondContact O-N 2.84Å; Y50-D52 VanDerWaalsContact O-N 3.11Å; Y50-G53 PolarHBondContact O-N 3.33Å; Y50-K54 PolarHBondContact N-O 3.29Å; Y50-Y56 VanDerWaalsContact CB-CE2 3.46Å; Y50-Y56 AromaticContact CD1-CE2 3.99Å; Y50-Y56 HydrophobicContact CD1-CE2 3.99Å; Y50-Y56 HydrophobicContact CG-CD2 4.22Å; Y50-Y56 AromaticContact CG-CE2 3.94Å; Y50-Y56 HydrophobicContact CG-CE2 3.94Å; Y50-V116 HydrophobicContact CD2-CG1 4.1Å; Y50-V116 HydrophobicContact CE2-CG1 4.47Å
51	K	94.4	Very high	96.4	Very high	199 Å²	199	55.4 Å²	55.4	87%	0.865	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-19.7	-174.1	-63.8	178.9	-178.9	174.5	0	113.9
52	D	95.3	Very high	96.4	Very high	75 Å²	75	56.1 Å²	56.1	40%	0.401	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	4.8	176.1	74.6	-22.7	0	0	0	113.1	Y50 K54 Y56	Y50-D52 PolarHBondContact O-N 2.84Å; Y50-D52 VanDerWaalsContact O-N 3.11Å; D52-K54 VanDerWaalsContact C-N 3.31Å; D52-K54 WeakPolarHBondContact OD1-CB 3.36Å; D52-K54 PolarHBondContact OD1-N 3.17Å; D52-K54 WeakPolarHBondContact OD2-CD 3.36Å; D52-K54 IonicContact OD2-NZ 3.74Å; D52-Y56 PolarHBondContact OD2-OH 2.78Å
53	G	94.9	Very high	96.3	Very high	57 Å²	57	58.7 Å²	58.7	59%	0.588	29%	0.293	S	S	*	.	S	Bend	trans	80.5	7.1	179.7	0	0	0	0	0	114.1	L49 Y50	L49-G53 WeakPolarHBondContact CD1-O 3.47Å; Y50-G53 PolarHBondContact O-N 3.33Å
54	K	95.8	Very high	96.2	Very high	104 Å²	104	58.2 Å²	58.2	45%	0.452	31%	0.306	S	S	.	.			trans	-99.8	148.8	177	-60.6	-177.9	-170.5	163.4	0	111.6	Y50 D52 Y56 L74	Y50-K54 PolarHBondContact N-O 3.29Å; D52-K54 VanDerWaalsContact C-N 3.31Å; D52-K54 WeakPolarHBondContact OD1-CB 3.36Å; D52-K54 PolarHBondContact OD1-N 3.17Å; D52-K54 WeakPolarHBondContact OD2-CD 3.36Å; D52-K54 IonicContact OD2-NZ 3.74Å; K54-Y56 HydrophobicContact CB-CD2 4.34Å; K54-Y56 HydrophobicContact CB-CE2 3.85Å; K54-L74 HydrophobicContact CD-CD1 4.42Å; K54-L74 HydrophobicContact CD-CD2 4.46Å
55	T	97.1	Very high	96.1	Very high	26 Å²	26	62.4 Å²	62.4	16%	0.16	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-97	119	172.9	-60.5	0	0	0	0	109.4	L48 L57 L74 M75 F95	L48-T55 HydrophobicContact CB-CG2 3.96Å; L48-T55 WeakPolarHBondContact O-CA 3.15Å; T55-L57 PolarHBondContact O-N 2.92Å; T55-L74 CarbonylContact O-C 3.51Å; T55-M75 HydrophobicContact CG2-CB 3.93Å; T55-M75 HydrophobicContact CG2-CG 3.98Å; T55-M75 HydrophobicContact CG2-SD 4.1Å; T55-F95 HydrophobicContact CG2-CE1 3.75Å; T55-F95 HydrophobicContact CG2-CZ 4.04Å
56	Y	95.8	Very high	96.1	Very high	58 Å²	58	64.1 Å²	64.1	23%	0.227	35%	0.35	C	S	.	.			trans	-95.2	77.9	-175.5	-75.3	-97.7	0	0	0	111.3	L48 Y50 D52 K54 L74 Q114 L115	L48-Y56 PolarHBondContact O-N 2.81Å; L48-Y56 VanDerWaalsContact O-N 3.16Å; Y50-Y56 VanDerWaalsContact CB-CE2 3.46Å; Y50-Y56 AromaticContact CD1-CE2 3.99Å; Y50-Y56 HydrophobicContact CD1-CE2 3.99Å; Y50-Y56 HydrophobicContact CG-CD2 4.22Å; Y50-Y56 AromaticContact CG-CE2 3.94Å; Y50-Y56 HydrophobicContact CG-CE2 3.94Å; D52-Y56 PolarHBondContact OD2-OH 2.78Å; K54-Y56 HydrophobicContact CB-CD2 4.34Å; K54-Y56 HydrophobicContact CB-CE2 3.85Å; Y56-L74 HydrophobicContact CD1-CD2 3.89Å; Y56-L74 HydrophobicContact CE1-CD2 3.88Å; Y56-L74 HydrophobicContact CG-CD2 4.39Å; Y56-Q114 WeakPolarHBondContact O-CA 3.39Å; Y56-L115 HydrophobicContact CD1-CB 4.31Å; Y56-L115 PolarHBondContact O-N 3.05Å
57	L	97.6	Very high	96.2	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	133.5	172.2	-171.5	91	0	0	0	109.5	L48 T55 L74 M75 F95 C112 Q113	L48-L57 HydrophobicContact CD1-CB 4.05Å; L48-L57 HydrophobicContact CD1-CD1 3.47Å; L48-L57 VanDerWaalsContact CD1-CD1 3.47Å; L48-L57 HydrophobicContact CD1-CG 4.37Å; T55-L57 PolarHBondContact O-N 2.92Å; L57-L74 PolarHBondContact O-N 2.91Å; L57-M75 HydrophobicContact CB-SD 4.37Å; L57-M75 HydrophobicContact CD2-SD 4Å; L57-M75 PolarHBondContact O-N 3.22Å; L57-F95 HydrophobicContact CD1-CD2 3.94Å; L57-F95 HydrophobicContact CD1-CE2 4.25Å; L57-F95 HydrophobicContact CD1-CG 4.42Å; L57-F95 HydrophobicContact CD2-CB 3.51Å; L57-F95 HydrophobicContact CD2-CD1 4.03Å; L57-F95 HydrophobicContact CD2-CD2 3.93Å; L57-F95 HydrophobicContact CD2-CG 3.54Å; L57-F95 HydrophobicContact CG-CD2 4.49Å; L57-C112 HydrophobicContact CD1-CB 4.19Å; L57-Q113 CarbonylContact C-O 3.51Å; L57-Q113 WeakPolarHBondContact CA-O 3.5Å
58	N	98.1	Very high	96.3	Very high	21 Å²	21	66 Å²	66	11%	0.112	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	151.1	172.1	-67	-5	0	0	0	110.7	F60 L70 I72 Y73 L74 C112 Q113 L115	N58-F60 HydrophobicContact CB-CD2 4.38Å; N58-F60 HydrophobicContact CB-CE2 3.6Å; N58-F60 HydrophobicContact CB-CZ 4.08Å; N58-L70 HydrophobicContact CB-CD1 3.97Å; N58-I72 CarbonylContact C-O 3.57Å; N58-I72 VanDerWaalsContact CA-O 3.27Å; N58-I72 WeakPolarHBondContact CA-O 3.27Å; N58-Y73 WeakPolarHBondContact OD1-CA 3.4Å; N58-Y73 WeakPolarHBondContact OD1-CB 3.22Å; N58-L74 PolarHBondContact OD1-N 3.21Å; N58-C112 CarbonylContact O-C 3.55Å; N58-C112 VanDerWaalsContact O-CA 3.27Å; N58-C112 WeakPolarHBondContact O-CA 2.96Å; N58-Q113 PolarHBondContact N-O 2.91Å; N58-Q113 PolarHBondContact O-N 2.86Å; N58-L115 HydrophobicContact CB-CD1 3.99Å; N58-L115 WeakPolarHBondContact ND2-CD1 3.42Å
59	W	98.6	Very high	96.5	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	135.7	171.6	-72.6	97.3	0	0	0	110.6	I40 C42 L71 I72 F95 L97 Y111 C112	I40-W59 HydrophobicContact CB-CH2 4.38Å; I40-W59 HydrophobicContact CB-CZ3 4.34Å; I40-W59 HydrophobicContact CG2-CH2 3.97Å; I40-W59 HydrophobicContact CG2-CZ3 3.77Å; I40-W59 WeakPolarHBondContact O-CH2 3.36Å; C42-W59 HydrophobicContact CB-CH2 3.43Å; C42-W59 VanDerWaalsContact CB-CH2 3.43Å; C42-W59 HydrophobicContact CB-CZ2 3.6Å; C42-W59 HydrophobicContact CB-CZ3 4.37Å; W59-L71 HydrophobicContact CB-CB 4.45Å; W59-L71 PolarHBondContact O-N 3.25Å; W59-I72 HydrophobicContact CB-CB 4.03Å; W59-I72 HydrophobicContact CB-CG1 4.3Å; W59-I72 HydrophobicContact CG-CB 4.38Å; W59-I72 PolarHBondContact N-O 3.33Å; W59-I72 PolarHBondContact O-N 3.14Å; W59-F95 HydrophobicContact CZ2-CB 4.49Å; W59-L97 HydrophobicContact CB-CD1 4.42Å; W59-L97 HydrophobicContact CB-CD2 4.29Å; W59-L97 HydrophobicContact CD2-CB 3.62Å; W59-L97 HydrophobicContact CD2-CD2 4.08Å; W59-L97 HydrophobicContact CD2-CG 4.3Å; W59-L97 HydrophobicContact CE3-CB 3.81Å; W59-L97 HydrophobicContact CE3-CD2 3.86Å; W59-L97 HydrophobicContact CE3-CG 4.43Å; W59-L97 HydrophobicContact CG-CB 4.16Å; W59-L97 HydrophobicContact CG-CD1 4.24Å; W59-L97 HydrophobicContact CG-CD2 4.29Å; W59-L97 HydrophobicContact CG-CG 4.48Å; W59-L97 HydrophobicContact CH2-CB 3.93Å; W59-L97 HydrophobicContact CZ2-CB 3.79Å; W59-L97 HydrophobicContact CZ3-CB 3.96Å; W59-L97 HydrophobicContact CZ3-CD2 4.45Å; W59-Y111 CarbonylContact C-O 3.54Å; W59-Y111 WeakPolarHBondContact CA-O 3.47Å; W59-C112 HydrophobicContact CD2-CB 4.02Å; W59-C112 HydrophobicContact CE3-CB 3.83Å; W59-C112 HydrophobicContact CH2-CB 3.95Å; W59-C112 HydrophobicContact CZ2-CB 4.09Å; W59-C112 HydrophobicContact CZ3-CB 3.79Å
60	F	98.3	Very high	96.6	Very high	36 Å²	36	67.6 Å²	67.6	16%	0.158	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	149.8	178.4	-62.7	-92.9	0	0	0	111.1	N58 P68 Q69 L70 Y110 Y111 Q113	N58-F60 HydrophobicContact CB-CD2 4.38Å; N58-F60 HydrophobicContact CB-CE2 3.6Å; N58-F60 HydrophobicContact CB-CZ 4.08Å; F60-P68 HydrophobicContact CB-CB 4.32Å; F60-P68 HydrophobicContact CD1-CB 4.26Å; F60-Q69 CarbonylContact C-O 3.57Å; F60-Q69 VanDerWaalsContact CA-O 3.24Å; F60-Q69 WeakPolarHBondContact CA-O 3.48Å; F60-L70 HydrophobicContact CD1-CB 4.14Å; F60-L70 HydrophobicContact CD1-CD1 4.19Å; F60-L70 HydrophobicContact CE1-CB 3.89Å; F60-L70 HydrophobicContact CE1-CD1 3.68Å; F60-L70 HydrophobicContact CE1-CG 4.39Å; F60-L70 HydrophobicContact CE2-CD1 4.3Å; F60-L70 HydrophobicContact CZ-CD1 3.75Å; F60-Y110 VanDerWaalsContact O-CA 3.31Å; F60-Y110 WeakPolarHBondContact O-CA 3.4Å; F60-Y111 PolarHBondContact N-O 2.73Å; F60-Y111 PolarHBondContact O-N 3.44Å; F60-Q113 HydrophobicContact CE2-CB 4.07Å
61	L	97.9	Very high	96.8	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	125.2	166.3	167.1	59.7	0	0	0	109.1	R63 Q69 L71 Y110	L61-R63 HydrophobicContact CD1-CG 4.48Å; L61-R63 HydrophobicContact CD2-CG 4.4Å; L61-R63 HydrophobicContact CG-CG 4.22Å; L61-Q69 PolarHBondContact N-O 2.92Å; L61-Q69 PolarHBondContact O-N 2.9Å; L61-L71 HydrophobicContact CB-CD1 3.66Å; L61-L71 HydrophobicContact CB-CD2 4.16Å; L61-L71 HydrophobicContact CB-CG 3.98Å; L61-Y110 HydrophobicContact CB-CD1 4.17Å; L61-Y110 HydrophobicContact CB-CE1 3.92Å; L61-Y110 HydrophobicContact CD1-CD1 4.3Å; L61-Y110 HydrophobicContact CD1-CD2 4.07Å; L61-Y110 HydrophobicContact CD1-CE1 3.94Å; L61-Y110 HydrophobicContact CD1-CE2 3.67Å; L61-Y110 HydrophobicContact CD1-CG 4.37Å; L61-Y110 HydrophobicContact CD2-CE1 4.25Å; L61-Y110 HydrophobicContact CG-CE1 4.26Å
62	Q	97.6	Very high	97	Very high	64 Å²	64	53.1 Å²	53.1	30%	0.299	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	113.3	170.1	-170.9	178.1	21	0	0	109.8	Q66 P68 G108 V109 Y111	Q62-Q66 WeakPolarHBondContact CG-O 3.26Å; Q62-Q66 PolarHBondContact NE2-O 2.8Å; Q62-P68 HydrophobicContact CB-CG 4.41Å; Q62-P68 HydrophobicContact CG-CG 4.31Å; Q62-G108 CarbonylContact O-C 3.59Å; Q62-G108 WeakPolarHBondContact O-CA 3.49Å; Q62-V109 PolarHBondContact N-O 3.11Å; Q62-V109 PolarHBondContact O-N 2.83Å; Q62-Y111 HydrophobicContact CB-CD2 4.48Å; Q62-Y111 HydrophobicContact CB-CE2 3.75Å; Q62-Y111 PolarHBondContact OE1-OH 2.78Å; Q62-Y111 VanDerWaalsContact OE1-OH 3.08Å
63	R	95.6	Very high	97.1	Very high	57 Å²	57	53.9 Å²	53.9	22%	0.215	31%	0.313	C	S	.	.			trans	-83.8	154.1	172.3	-60.5	-174.3	-176.1	83	3.2	110.3	L61 G65 Q66 E105	L61-R63 HydrophobicContact CD1-CG 4.48Å; L61-R63 HydrophobicContact CD2-CG 4.4Å; L61-R63 HydrophobicContact CG-CG 4.22Å; R63-G65 PolarHBondContact O-N 3.43Å; R63-Q66 HydrophobicContact CB-CB 4.23Å; R63-Q66 HydrophobicContact CB-CG 4.27Å; R63-Q66 PolarHBondContact O-N 2.75Å; R63-E105 PolarHBondContact NE-O 2.79Å; R63-E105 PolarHBondContact NH2-O 2.92Å
64	P	95.3	Very high	97.2	Very high	114 Å²	114	53.7 Å²	53.7	74%	0.74	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	126.4	175.9	-26.9	35.2	0	0	0	112	Q66	P64-Q66 PolarHBondContact O-N 2.02Å
65	G	95.9	Very high	97.3	Very high	92 Å²	92	49.4 Å²	49.4	95%	0.948	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	6.2	179.9	0	0	0	0	0	115.8	R63	R63-G65 PolarHBondContact O-N 3.43Å
66	Q	96.3	Very high	97.3	Very high	107 Å²	107	51.8 Å²	51.8	50%	0.5	30%	0.298	S	S	.	.	S	Bend	trans	-114	156.3	178	-61.8	-170.5	-21	0	0	111.9	Q62 R63 P64	Q62-Q66 WeakPolarHBondContact CG-O 3.26Å; Q62-Q66 PolarHBondContact NE2-O 2.8Å; R63-Q66 HydrophobicContact CB-CB 4.23Å; R63-Q66 HydrophobicContact CB-CG 4.27Å; R63-Q66 PolarHBondContact O-N 2.75Å; P64-Q66 PolarHBondContact O-N 2.02Å
67	S	96.3	Very high	97.4	Very high	99 Å²	99	51.7 Å²	51.7	69%	0.692	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-69.2	152.6	168.4	56.2	0	0	0	0	110.9	Q69	S67-Q69 PolarHBondContact O-N 2.81Å
68	P	97.3	Very high	97.5	Very high	69 Å²	69	57.3 Å²	57.3	45%	0.448	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-54.6	128.3	173.6	-25.5	34.7	0	0	0	112.4	F60 Q62	F60-P68 HydrophobicContact CB-CB 4.32Å; F60-P68 HydrophobicContact CD1-CB 4.26Å; Q62-P68 HydrophobicContact CB-CG 4.41Å; Q62-P68 HydrophobicContact CG-CG 4.31Å
69	Q	98	Very high	97.5	Very high	76 Å²	76	57.1 Å²	57.1	36%	0.355	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	129.2	174.3	-178.8	-178.4	6.7	0	0	109.5	F60 L61 S67 L71	F60-Q69 CarbonylContact C-O 3.57Å; F60-Q69 VanDerWaalsContact CA-O 3.24Å; F60-Q69 WeakPolarHBondContact CA-O 3.48Å; L61-Q69 PolarHBondContact N-O 2.92Å; L61-Q69 PolarHBondContact O-N 2.9Å; S67-Q69 PolarHBondContact O-N 2.81Å; Q69-L71 PolarHBondContact O-N 3.05Å
70	L	98.5	Very high	97.4	Very high	58 Å²	58	63.3 Å²	63.3	30%	0.304	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	128.2	173.1	-178.8	67	0	0	0	110.6	N58 F60 I72 Y73 A79	N58-L70 HydrophobicContact CB-CD1 3.97Å; F60-L70 HydrophobicContact CD1-CB 4.14Å; F60-L70 HydrophobicContact CD1-CD1 4.19Å; F60-L70 HydrophobicContact CE1-CB 3.89Å; F60-L70 HydrophobicContact CE1-CD1 3.68Å; F60-L70 HydrophobicContact CE1-CG 4.39Å; F60-L70 HydrophobicContact CE2-CD1 4.3Å; F60-L70 HydrophobicContact CZ-CD1 3.75Å; L70-I72 WeakPolarHBondContact CD1-O 3.46Å; L70-Y73 HydrophobicContact CD2-CD1 4.46Å; L70-A79 HydrophobicContact CD2-CB 4.12Å; L70-A79 HydrophobicContact CG-CB 4.06Å
71	L	98.6	Very high	97.4	Very high	3 Å²	3	65.3 Å²	65.3	2%	0.016	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	-57.3	176.8	-63.5	-177.8	0	0	0	111.8	W59 L61 Q69 A79 V82 F86 L97 Y110	W59-L71 HydrophobicContact CB-CB 4.45Å; W59-L71 PolarHBondContact O-N 3.25Å; L61-L71 HydrophobicContact CB-CD1 3.66Å; L61-L71 HydrophobicContact CB-CD2 4.16Å; L61-L71 HydrophobicContact CB-CG 3.98Å; Q69-L71 PolarHBondContact O-N 3.05Å; L71-A79 PolarHBondContact O-N 2.88Å; L71-V82 HydrophobicContact CD2-CG1 4.09Å; L71-V82 HydrophobicContact CD2-CG2 4.3Å; L71-F86 HydrophobicContact CD1-CD1 3.83Å; L71-F86 HydrophobicContact CD1-CE1 3.8Å; L71-L97 HydrophobicContact CD1-CD2 4.12Å; L71-Y110 HydrophobicContact CD1-CD1 3.91Å; L71-Y110 HydrophobicContact CD1-CE1 3.58Å
72	I	98.7	Very high	97.4	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	137.6	-177.9	-50.4	-65.1	0	0	0	107.8	N58 W59 L70 M75 T77 R78 F86 L97	N58-I72 CarbonylContact C-O 3.57Å; N58-I72 VanDerWaalsContact CA-O 3.27Å; N58-I72 WeakPolarHBondContact CA-O 3.27Å; W59-I72 HydrophobicContact CB-CB 4.03Å; W59-I72 HydrophobicContact CB-CG1 4.3Å; W59-I72 HydrophobicContact CG-CB 4.38Å; W59-I72 PolarHBondContact N-O 3.33Å; W59-I72 PolarHBondContact O-N 3.14Å; L70-I72 WeakPolarHBondContact CD1-O 3.46Å; I72-M75 WeakPolarHBondContact CG2-O 3.4Å; I72-T77 CarbonylContact C-O 3.6Å; I72-T77 VanDerWaalsContact CA-O 3.32Å; I72-T77 WeakPolarHBondContact CA-O 3.42Å; I72-R78 HydrophobicContact CD1-CB 4.25Å; I72-R78 HydrophobicContact CD1-CG 3.31Å; I72-F86 HydrophobicContact CD1-CB 4.42Å; I72-L97 HydrophobicContact CG1-CD1 3.77Å
73	Y	98.1	Very high	97.4	Very high	90 Å²	90	65.2 Å²	65.2	35%	0.353	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	160.3	172.6	71.6	-78.4	0	0	0	110.8	N58 L70 M75 T77 A79	N58-Y73 WeakPolarHBondContact OD1-CA 3.4Å; N58-Y73 WeakPolarHBondContact OD1-CB 3.22Å; L70-Y73 HydrophobicContact CD2-CD1 4.46Å; Y73-M75 PolarHBondContact O-N 2.81Å; Y73-T77 HydrophobicContact CD1-CG2 4.27Å; Y73-T77 WeakPolarHBondContact CD1-O 3.32Å; Y73-T77 HydrophobicContact CE1-CG2 3.47Å; Y73-T77 VanDerWaalsContact CE1-CG2 3.47Å; Y73-T77 HydrophobicContact CE2-CG2 4.06Å; Y73-T77 PolarHBondContact N-O 3.28Å; Y73-T77 WeakPolarHBondContact O-CA 3.32Å; Y73-T77 WeakPolarHBondContact O-CB 3.12Å; Y73-T77 PolarHBondContact O-N 2.89Å; Y73-T77 PolarHBondContact O-OG1 2.87Å; Y73-T77 VanDerWaalsContact OH-CG2 3.32Å; Y73-T77 WeakPolarHBondContact OH-CG2 3.13Å; Y73-A79 HydrophobicContact CD1-CB 4.45Å
74	L	96.7	Very high	97.6	Very high	54 Å²	54	67.5 Å²	67.5	28%	0.283	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.3	52.6	-175	-65.9	175.3	0	0	0	110.5	K54 T55 Y56 L57 N58 S76	K54-L74 HydrophobicContact CD-CD1 4.42Å; K54-L74 HydrophobicContact CD-CD2 4.46Å; T55-L74 CarbonylContact O-C 3.51Å; Y56-L74 HydrophobicContact CD1-CD2 3.89Å; Y56-L74 HydrophobicContact CE1-CD2 3.88Å; Y56-L74 HydrophobicContact CG-CD2 4.39Å; L57-L74 PolarHBondContact O-N 2.91Å; N58-L74 PolarHBondContact OD1-N 3.21Å; L74-S76 PolarHBondContact O-N 3.34Å
75	M	96.6	Very high	97.7	Very high	14 Å²	14	62.5 Å²	62.5	7%	0.069	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	-48.7	172.7	-178.7	55.7	178.7	0	0	116.8	T55 L57 I72 Y73 S89 G90 F95	T55-M75 HydrophobicContact CG2-CB 3.93Å; T55-M75 HydrophobicContact CG2-CG 3.98Å; T55-M75 HydrophobicContact CG2-SD 4.1Å; L57-M75 HydrophobicContact CB-SD 4.37Å; L57-M75 HydrophobicContact CD2-SD 4Å; L57-M75 PolarHBondContact O-N 3.22Å; I72-M75 WeakPolarHBondContact CG2-O 3.4Å; Y73-M75 PolarHBondContact O-N 2.81Å; M75-S89 VanDerWaalsContact CE-O 3.27Å; M75-S89 WeakPolarHBondContact CE-O 3.39Å; M75-G90 WeakPolarHBondContact CE-O 3.39Å; M75-F95 HydrophobicContact CE-CD1 3.28Å; M75-F95 HydrophobicContact CE-CE1 3.76Å; M75-F95 HydrophobicContact CE-CG 4.39Å; M75-F95 HydrophobicContact SD-CD1 3.38Å; M75-F95 WeakPolarHBondContact SD-CD1 3.39Å; M75-F95 HydrophobicContact SD-CE1 3.75Å; M75-F95 HydrophobicContact SD-CG 4.28Å
76	S	97.6	Very high	97.8	Very high	76 Å²	76	58.5 Å²	58.5	53%	0.531	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.6	-1	-174.1	60.1	0	0	0	0	114.2	L74 R78 G88	L74-S76 PolarHBondContact O-N 3.34Å; S76-R78 PolarHBondContact O-N 2.89Å; S76-G88 WeakPolarHBondContact CB-O 3.29Å
77	T	98.3	Very high	97.9	Very high	56 Å²	56	55.5 Å²	55.5	34%	0.344	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	115.5	-177.2	-45.2	0	0	0	0	110.3	I72 Y73	I72-T77 CarbonylContact C-O 3.6Å; I72-T77 VanDerWaalsContact CA-O 3.32Å; I72-T77 WeakPolarHBondContact CA-O 3.42Å; Y73-T77 HydrophobicContact CD1-CG2 4.27Å; Y73-T77 WeakPolarHBondContact CD1-O 3.32Å; Y73-T77 HydrophobicContact CE1-CG2 3.47Å; Y73-T77 VanDerWaalsContact CE1-CG2 3.47Å; Y73-T77 HydrophobicContact CE2-CG2 4.06Å; Y73-T77 PolarHBondContact N-O 3.28Å; Y73-T77 WeakPolarHBondContact O-CA 3.32Å; Y73-T77 WeakPolarHBondContact O-CB 3.12Å; Y73-T77 PolarHBondContact O-N 2.89Å; Y73-T77 PolarHBondContact O-OG1 2.87Å; Y73-T77 VanDerWaalsContact OH-CG2 3.32Å; Y73-T77 WeakPolarHBondContact OH-CG2 3.13Å
78	R	98.5	Very high	98	Very high	117 Å²	117	51.3 Å²	51.3	44%	0.442	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	134.7	174.6	-96.7	179	-81.1	139.2	-1.5	111.3	I72 S76 V82 S83 F86	I72-R78 HydrophobicContact CD1-CB 4.25Å; I72-R78 HydrophobicContact CD1-CG 3.31Å; S76-R78 PolarHBondContact O-N 2.89Å; R78-V82 HydrophobicContact CG-CG1 4.34Å; R78-S83 WeakPolarHBondContact CD-O 3.49Å; R78-F86 WeakPolarHBondContact CD-O 3.44Å; R78-F86 PolarHBondContact NE-O 3.28Å
79	A	98.5	Very high	98	Very high	17 Å²	17	50.8 Å²	50.8	14%	0.14	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-68.4	154.5	171.4	0	0	0	0	0	111.3	L70 L71 Y73 G81 V82	L70-A79 HydrophobicContact CD2-CB 4.12Å; L70-A79 HydrophobicContact CG-CB 4.06Å; L71-A79 PolarHBondContact O-N 2.88Å; Y73-A79 HydrophobicContact CD1-CB 4.45Å; A79-G81 PolarHBondContact O-N 2.86Å; A79-V82 HydrophobicContact CB-CG2 3.9Å; A79-V82 WeakPolarHBondContact O-CB 3.27Å; A79-V82 WeakPolarHBondContact O-CG2 3.47Å; A79-V82 PolarHBondContact O-N 3.22Å
80	S	97.9	Very high	97.9	Very high	131 Å²	131	49.3 Å²	49.3	92%	0.916	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	137.3	179.1	-171.7	0	0	0	0	111.4	V82	S80-V82 PolarHBondContact O-N 3.45Å
81	G	97.2	Very high	97.6	Very high	78 Å²	78	50.7 Å²	50.7	80%	0.804	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	-3.8	-178	0	0	0	0	0	115.2	A79	A79-G81 PolarHBondContact O-N 2.86Å
82	V	98.2	Very high	97.2	Very high	18 Å²	18	52 Å²	52	11%	0.109	34%	0.34	C	S	.	.			trans	-80.5	133.2	174.5	179.6	0	0	0	0	110	L71 R78 A79 S80 F86	L71-V82 HydrophobicContact CD2-CG1 4.09Å; L71-V82 HydrophobicContact CD2-CG2 4.3Å; R78-V82 HydrophobicContact CG-CG1 4.34Å; A79-V82 HydrophobicContact CB-CG2 3.9Å; A79-V82 WeakPolarHBondContact O-CB 3.27Å; A79-V82 WeakPolarHBondContact O-CG2 3.47Å; A79-V82 PolarHBondContact O-N 3.22Å; S80-V82 PolarHBondContact O-N 3.45Å; V82-F86 HydrophobicContact CG1-CB 4.03Å; V82-F86 HydrophobicContact CG1-CD2 3.84Å; V82-F86 HydrophobicContact CG1-CG 4.07Å
83	S	98.3	Very high	97.1	Very high	43 Å²	43	54.3 Å²	54.3	30%	0.301	35%	0.354	S	S	.	.			trans	-58.6	146.2	178.6	174.1	0	0	0	0	111.7	R78 R85 F86	R78-S83 WeakPolarHBondContact CD-O 3.49Å; S83-R85 PolarHBondContact O-N 2.95Å; S83-R85 VanDerWaalsContact O-N 3.14Å; S83-R85 WeakPolarHBondContact OG-CG 2.96Å; S83-R85 PolarHBondContact OG-N 3.03Å; S83-F86 PolarHBondContact O-N 3Å
84	D	97.9	Very high	97.1	Very high	105 Å²	105	53 Å²	53	56%	0.561	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-10.6	171	68	-23.8	0	0	0	115.4	F86	D84-F86 PolarHBondContact O-N 3.27Å
85	R	98.3	Very high	97.2	Very high	9 Å²	9	50.6 Å²	50.6	3%	0.034	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-24.3	171.6	-68.3	-173.9	-47.7	113.7	0.1	113.2	S83 I99 S100 R101 D106	S83-R85 PolarHBondContact O-N 2.95Å; S83-R85 VanDerWaalsContact O-N 3.14Å; S83-R85 WeakPolarHBondContact OG-CG 2.96Å; S83-R85 PolarHBondContact OG-N 3.03Å; R85-I99 WeakPolarHBondContact O-CA 3.37Å; R85-S100 WeakPolarHBondContact CA-OG 3.21Å; R85-S100 VanDerWaalsContact CB-O 3.29Å; R85-S100 WeakPolarHBondContact CB-O 3.43Å; R85-S100 VanDerWaalsContact CD-O 3.25Å; R85-S100 WeakPolarHBondContact CD-O 3.01Å; R85-S100 WeakPolarHBondContact CG-O 3.34Å; R85-S100 PolarHBondContact NH1-O 2.9Å; R85-S100 PolarHBondContact O-N 3.26Å; R85-S100 PolarHBondContact O-OG 2.6Å; R85-R101 PolarHBondContact NH1-O 2.97Å; R85-D106 IonicContact CZ-OD1 3.91Å; R85-D106 IonicContact CZ-OD2 2.69Å; R85-D106 VanDerWaalsContact CZ-OD2 3.23Å; R85-D106 IonicContact NH1-OD2 3.18Å; R85-D106 PolarHBondContact NH1-OD2 2.74Å; R85-D106 IonicContact NH2-OD1 3.02Å; R85-D106 PolarHBondContact NH2-OD1 3.11Å; R85-D106 IonicContact NH2-OD2 2.79Å; R85-D106 PolarHBondContact NH2-OD2 2.9Å
86	F	98.5	Very high	97.2	Very high	8 Å²	8	51.8 Å²	51.8	4%	0.035	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	129.9	179.9	-65.4	-91	0	0	0	111.3	L71 I72 R78 V82 S83 D84 L97 E98 I99 D106 Y110	L71-F86 HydrophobicContact CD1-CD1 3.83Å; L71-F86 HydrophobicContact CD1-CE1 3.8Å; I72-F86 HydrophobicContact CD1-CB 4.42Å; R78-F86 WeakPolarHBondContact CD-O 3.44Å; R78-F86 PolarHBondContact NE-O 3.28Å; V82-F86 HydrophobicContact CG1-CB 4.03Å; V82-F86 HydrophobicContact CG1-CD2 3.84Å; V82-F86 HydrophobicContact CG1-CG 4.07Å; S83-F86 PolarHBondContact O-N 3Å; D84-F86 PolarHBondContact O-N 3.27Å; F86-L97 HydrophobicContact CD1-CD1 4.46Å; F86-E98 WeakPolarHBondContact CA-O 3.41Å; F86-I99 HydrophobicContact CD1-CB 4.45Å; F86-I99 HydrophobicContact CD1-CD1 4.23Å; F86-I99 HydrophobicContact CD1-CG1 3.76Å; F86-I99 HydrophobicContact CD1-CG2 4.16Å; F86-I99 HydrophobicContact CE1-CB 4.36Å; F86-I99 HydrophobicContact CE1-CD1 3.71Å; F86-I99 HydrophobicContact CE1-CG1 3.71Å; F86-I99 HydrophobicContact CE1-CG2 3.8Å; F86-I99 HydrophobicContact CZ-CG2 4.02Å; F86-D106 WeakPolarHBondContact CZ-OD1 3.45Å; F86-Y110 AromaticContact CE1-CE1 3.99Å; F86-Y110 HydrophobicContact CE1-CE1 3.99Å
87	S	98.4	Very high	97.3	Very high	45 Å²	45	48.1 Å²	48.1	32%	0.315	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	131.7	174.8	38.6	0	0	0	0	111.7	E98	S87-E98 PolarHBondContact N-O 3.3Å; S87-E98 PolarHBondContact O-N 3.28Å
88	G	98.1	Very high	97.2	Very high	10 Å²	10	49.2 Å²	49.2	10%	0.103	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	138.5	170.5	0	0	0	0	0	111.2	S76 T96	S76-G88 WeakPolarHBondContact CB-O 3.29Å; G88-T96 WeakPolarHBondContact CA-O 3.46Å
89	S	97.6	Very high	97.2	Very high	58 Å²	58	43.8 Å²	43.8	41%	0.406	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	166.2	178.1	67.2	0	0	0	0	111.8	M75 F95 T96	M75-S89 VanDerWaalsContact CE-O 3.27Å; M75-S89 WeakPolarHBondContact CE-O 3.39Å; S89-F95 WeakPolarHBondContact O-CA 3.37Å; S89-T96 PolarHBondContact N-O 2.86Å; S89-T96 PolarHBondContact O-N 2.92Å
90	G	95.6	Very high	97.2	Very high	45 Å²	45	43.8 Å²	43.8	46%	0.464	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	128.2	-174.3	-179.7	0	0	0	0	0	114.1	M75 D94	M75-G90 WeakPolarHBondContact CE-O 3.39Å; G90-D94 CarbonylContact C-O 3.59Å; G90-D94 WeakPolarHBondContact CA-O 3.31Å
91	S	92	Very high	97.2	Very high	87 Å²	87	43.9 Å²	43.9	61%	0.608	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-169	162.1	178	64.6	0	0	0	0	111.4	T93 D94	S91-T93 PolarHBondContact O-N 2.91Å; S91-D94 PolarHBondContact N-O 2.64Å; S91-D94 PolarHBondContact O-N 3.37Å; S91-D94 VanDerWaalsContact O-N 3.11Å
92	G	90.8	Very high	97.2	Very high	31 Å²	31	41 Å²	41	32%	0.32	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	-100.5	177.3	0	0	0	0	0	111.5	S47 L48 F95	S47-G92 WeakPolarHBondContact CA-O 3.27Å; L48-G92 PolarHBondContact N-O 3.36Å; G92-F95 VanDerWaalsContact O-CZ 3.24Å; G92-F95 WeakPolarHBondContact O-CZ 3.37Å
93	T	96.7	Very high	97.1	Very high	48 Å²	48	44.7 Å²	44.7	29%	0.294	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-4.5	-177	48.9	0	0	0	0	114.2	R43 S44 S91	R43-T93 CarbonylContact C-O 3.51Å; R43-T93 VanDerWaalsContact CA-O 3.23Å; R43-T93 WeakPolarHBondContact CA-O 3.42Å; S44-T93 PolarHBondContact N-O 3.49Å; S44-T93 WeakPolarHBondContact O-CB 3.44Å; S44-T93 WeakPolarHBondContact O-CG2 3.33Å; S44-T93 WeakPolarHBondContact OG-CA 3.25Å; S91-T93 PolarHBondContact O-N 2.91Å
94	D	97.7	Very high	96.9	Very high	64 Å²	64	46.6 Å²	46.6	34%	0.342	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	121	-168.5	-70.7	-104.7	0	0	0	110	R43 G90 S91	R43-D94 IonicContact CZ-OD1 3.86Å; R43-D94 VanDerWaalsContact NH1-CG 3.29Å; R43-D94 IonicContact NH1-OD1 2.69Å; R43-D94 PolarHBondContact NH1-OD1 3.37Å; R43-D94 IonicContact NH1-OD2 2.82Å; R43-D94 PolarHBondContact NH1-OD2 3.2Å; R43-D94 IonicContact NH2-OD1 3.23Å; R43-D94 PolarHBondContact NH2-OD1 3.48Å; G90-D94 CarbonylContact C-O 3.59Å; G90-D94 WeakPolarHBondContact CA-O 3.31Å; S91-D94 PolarHBondContact N-O 2.64Å; S91-D94 PolarHBondContact O-N 3.37Å; S91-D94 VanDerWaalsContact O-N 3.11Å
95	F	98.1	Very high	96.7	Very high	3 Å²	3	46.1 Å²	46.1	1%	0.013	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	144	-170.8	-50.6	-65.2	0	0	0	111.1	C42 L48 T55 L57 W59 M75 S89 G92	C42-F95 HydrophobicContact CB-CB 4.21Å; C42-F95 PolarHBondContact N-O 3.26Å; C42-F95 WeakPolarHBondContact O-CB 3.31Å; C42-F95 PolarHBondContact O-N 3.43Å; L48-F95 HydrophobicContact CB-CE2 4.44Å; L48-F95 HydrophobicContact CB-CZ 3.95Å; L48-F95 HydrophobicContact CD1-CD2 4.29Å; L48-F95 HydrophobicContact CD1-CE2 3.41Å; L48-F95 VanDerWaalsContact CD1-CE2 3.41Å; L48-F95 HydrophobicContact CD1-CZ 3.7Å; L48-F95 HydrophobicContact CG-CE2 3.81Å; L48-F95 HydrophobicContact CG-CZ 3.82Å; T55-F95 HydrophobicContact CG2-CE1 3.75Å; T55-F95 HydrophobicContact CG2-CZ 4.04Å; L57-F95 HydrophobicContact CD1-CD2 3.94Å; L57-F95 HydrophobicContact CD1-CE2 4.25Å; L57-F95 HydrophobicContact CD1-CG 4.42Å; L57-F95 HydrophobicContact CD2-CB 3.51Å; L57-F95 HydrophobicContact CD2-CD1 4.03Å; L57-F95 HydrophobicContact CD2-CD2 3.93Å; L57-F95 HydrophobicContact CD2-CG 3.54Å; L57-F95 HydrophobicContact CG-CD2 4.49Å; W59-F95 HydrophobicContact CZ2-CB 4.49Å; M75-F95 HydrophobicContact CE-CD1 3.28Å; M75-F95 HydrophobicContact CE-CE1 3.76Å; M75-F95 HydrophobicContact CE-CG 4.39Å; M75-F95 HydrophobicContact SD-CD1 3.38Å; M75-F95 WeakPolarHBondContact SD-CD1 3.39Å; M75-F95 HydrophobicContact SD-CE1 3.75Å; M75-F95 HydrophobicContact SD-CG 4.28Å; S89-F95 WeakPolarHBondContact O-CA 3.37Å; G92-F95 VanDerWaalsContact O-CZ 3.24Å; G92-F95 WeakPolarHBondContact O-CZ 3.37Å
96	T	98	Very high	96.6	Very high	38 Å²	38	46.1 Å²	46.1	23%	0.233	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	132.2	-178.1	-56.3	0	0	0	0	110.3	I40 G88 S89	I40-T96 CarbonylContact O-C 3.59Å; I40-T96 VanDerWaalsContact O-CA 3.31Å; I40-T96 WeakPolarHBondContact O-CA 3.36Å; G88-T96 WeakPolarHBondContact CA-O 3.46Å; S89-T96 PolarHBondContact N-O 2.86Å; S89-T96 PolarHBondContact O-N 2.92Å
97	L	98.2	Very high	96.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	119.3	162	178.2	67.7	0	0	0	108.6	S39 I40 W59 L71 I72 F86 I99 Y110	S39-L97 CarbonylContact C-O 3.48Å; S39-L97 WeakPolarHBondContact CA-O 3.33Å; I40-L97 HydrophobicContact CB-CB 4.37Å; I40-L97 HydrophobicContact CD1-CD2 4.1Å; I40-L97 PolarHBondContact N-O 2.8Å; I40-L97 PolarHBondContact O-N 3.39Å; W59-L97 HydrophobicContact CB-CD1 4.42Å; W59-L97 HydrophobicContact CB-CD2 4.29Å; W59-L97 HydrophobicContact CD2-CB 3.62Å; W59-L97 HydrophobicContact CD2-CD2 4.08Å; W59-L97 HydrophobicContact CD2-CG 4.3Å; W59-L97 HydrophobicContact CE3-CB 3.81Å; W59-L97 HydrophobicContact CE3-CD2 3.86Å; W59-L97 HydrophobicContact CE3-CG 4.43Å; W59-L97 HydrophobicContact CG-CB 4.16Å; W59-L97 HydrophobicContact CG-CD1 4.24Å; W59-L97 HydrophobicContact CG-CD2 4.29Å; W59-L97 HydrophobicContact CG-CG 4.48Å; W59-L97 HydrophobicContact CH2-CB 3.93Å; W59-L97 HydrophobicContact CZ2-CB 3.79Å; W59-L97 HydrophobicContact CZ3-CB 3.96Å; W59-L97 HydrophobicContact CZ3-CD2 4.45Å; L71-L97 HydrophobicContact CD1-CD2 4.12Å; I72-L97 HydrophobicContact CG1-CD1 3.77Å; F86-L97 HydrophobicContact CD1-CD1 4.46Å; L97-I99 HydrophobicContact CG-CG1 4.37Å; L97-Y110 HydrophobicContact CD2-CD1 3.58Å; L97-Y110 HydrophobicContact CD2-CE1 3.96Å
98	E	97.8	Very high	96.2	Very high	78 Å²	78	50.1 Å²	50.1	36%	0.364	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	137.2	171.6	-176.2	-176.2	174.5	0	0	109.7	V38 F86 S87	V38-E98 WeakPolarHBondContact O-CA 3.41Å; F86-E98 WeakPolarHBondContact CA-O 3.41Å; S87-E98 PolarHBondContact N-O 3.3Å; S87-E98 PolarHBondContact O-N 3.28Å
99	I	98	Very high	96	Very high	3 Å²	3	53.2 Å²	53.2	2%	0.015	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	109.9	173.7	-45.1	172.3	0	0	0	106.9	S37 V38 I40 R85 F86 L97 V102 Y110	S37-I99 CarbonylContact C-O 3.56Å; S37-I99 VanDerWaalsContact CA-O 3.26Å; S37-I99 WeakPolarHBondContact CA-O 3.17Å; V38-I99 HydrophobicContact CG1-CB 3.88Å; V38-I99 HydrophobicContact CG1-CD1 4.04Å; V38-I99 HydrophobicContact CG1-CG1 4.2Å; V38-I99 PolarHBondContact N-O 2.74Å; V38-I99 PolarHBondContact O-N 3.16Å; I40-I99 HydrophobicContact CD1-CD1 4Å; R85-I99 WeakPolarHBondContact O-CA 3.37Å; F86-I99 HydrophobicContact CD1-CB 4.45Å; F86-I99 HydrophobicContact CD1-CD1 4.23Å; F86-I99 HydrophobicContact CD1-CG1 3.76Å; F86-I99 HydrophobicContact CD1-CG2 4.16Å; F86-I99 HydrophobicContact CE1-CB 4.36Å; F86-I99 HydrophobicContact CE1-CD1 3.71Å; F86-I99 HydrophobicContact CE1-CG1 3.71Å; F86-I99 HydrophobicContact CE1-CG2 3.8Å; F86-I99 HydrophobicContact CZ-CG2 4.02Å; L97-I99 HydrophobicContact CG-CG1 4.37Å; I99-V102 HydrophobicContact CB-CG2 4.17Å; I99-V102 HydrophobicContact CG2-CG2 3.93Å; I99-Y110 HydrophobicContact CD1-CD1 4.46Å; I99-Y110 HydrophobicContact CD1-CE1 3.61Å; I99-Y110 HydrophobicContact CD1-CE2 4.17Å; I99-Y110 VanDerWaalsContact CD1-CZ 3.44Å; I99-Y110 WeakPolarHBondContact CD1-OH 3.38Å
100	S	98	Very high	96	Very high	17 Å²	17	51.9 Å²	51.9	12%	0.119	31%	0.31	C	S	.	.			trans	-87.4	149.8	175.9	61.5	0	0	0	0	111.6	S37 R85 V102	S37-S100 WeakPolarHBondContact OG-CA 3.39Å; R85-S100 WeakPolarHBondContact CA-OG 3.21Å; R85-S100 VanDerWaalsContact CB-O 3.29Å; R85-S100 WeakPolarHBondContact CB-O 3.43Å; R85-S100 VanDerWaalsContact CD-O 3.25Å; R85-S100 WeakPolarHBondContact CD-O 3.01Å; R85-S100 WeakPolarHBondContact CG-O 3.34Å; R85-S100 PolarHBondContact NH1-O 2.9Å; R85-S100 PolarHBondContact O-N 3.26Å; R85-S100 PolarHBondContact O-OG 2.6Å; S100-V102 PolarHBondContact O-N 2.83Å
101	R	97.5	Very high	96	Very high	134 Å²	134	54.1 Å²	54.1	51%	0.506	31%	0.305	S	S	.	.	S	Bend	trans	50.5	52.8	174.9	-60	175.4	-67.3	-73.2	1	112.2	G35 E36 R85	G35-R101 WeakPolarHBondContact O-CA 3.41Å; E36-R101 WeakPolarHBondContact O-CA 3.35Å; E36-R101 PolarHBondContact O-N 2.95Å; E36-R101 VanDerWaalsContact O-N 3.17Å; R85-R101 PolarHBondContact NH1-O 2.97Å
102	V	97.1	Very high	96.2	Very high	18 Å²	18	50.5 Å²	50.5	11%	0.109	28%	0.28	C	S	.	.			trans	-49.3	142.7	-174.7	170.4	0	0	0	0	111.8	V32 S34 G35 E36 V38 I99 S100 D106	V32-V102 HydrophobicContact CG1-CB 4.11Å; V32-V102 HydrophobicContact CG1-CG1 4.12Å; V32-V102 HydrophobicContact CG1-CG2 3.98Å; S34-V102 CarbonylContact C-O 3.57Å; S34-V102 WeakPolarHBondContact CA-O 3.31Å; S34-V102 PolarHBondContact OG-O 3.07Å; G35-V102 PolarHBondContact N-O 2.91Å; E36-V102 WeakPolarHBondContact O-CG2 3.37Å; E36-V102 PolarHBondContact O-N 2.82Å; V38-V102 HydrophobicContact CB-CG2 4.48Å; V38-V102 HydrophobicContact CG1-CG2 3.73Å; I99-V102 HydrophobicContact CB-CG2 4.17Å; I99-V102 HydrophobicContact CG2-CG2 3.93Å; S100-V102 PolarHBondContact O-N 2.83Å; V102-D106 HydrophobicContact CG1-CB 4.31Å
103	K	96.6	Very high	96.5	Very high	94 Å²	94	53.2 Å²	53.2	41%	0.409	28%	0.284	S	S	.	.			trans	-129.5	167.9	-178.7	-60.1	178.3	179.5	-176.7	0	111.4	E105 D106	K103-E105 VanDerWaalsContact CB-CD 3.48Å; K103-E105 HydrophobicContact CB-CG 4.38Å; K103-E105 WeakPolarHBondContact CB-OE2 3.5Å; K103-E105 WeakPolarHBondContact CD-OE1 3.23Å; K103-E105 IonicContact NZ-OE1 2.83Å; K103-E105 PolarHBondContact O-N 2.69Å; K103-D106 PolarHBondContact N-OD2 2.87Å; K103-D106 VanDerWaalsContact O-CB 3.31Å; K103-D106 WeakPolarHBondContact O-CB 3.4Å; K103-D106 PolarHBondContact O-N 3.11Å
104	A	93.8	Very high	96.4	Very high	84 Å²	84	52.2 Å²	52.2	69%	0.694	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-59.2	-33.2	-179.7	0	0	0	0	0	113.1	D106 V107	A104-D106 PolarHBondContact O-N 3.18Å; A104-V107 WeakPolarHBondContact O-CG2 3.45Å; A104-V107 PolarHBondContact O-N 3.03Å
105	E	94.4	Very high	96.2	Very high	95 Å²	95	50.9 Å²	50.9	44%	0.444	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-70.9	-7.8	176.7	67.9	-95	-149.9	0	0	114.7	R63 K103 V107	R63-E105 PolarHBondContact NE-O 2.79Å; R63-E105 PolarHBondContact NH2-O 2.92Å; K103-E105 VanDerWaalsContact CB-CD 3.48Å; K103-E105 HydrophobicContact CB-CG 4.38Å; K103-E105 WeakPolarHBondContact CB-OE2 3.5Å; K103-E105 WeakPolarHBondContact CD-OE1 3.23Å; K103-E105 IonicContact NZ-OE1 2.83Å; K103-E105 PolarHBondContact O-N 2.69Å; E105-V107 VanDerWaalsContact C-N 3.31Å
106	D	95.3	Very high	96	Very high	9 Å²	9	52.9 Å²	52.9	5%	0.048	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-87.8	-3.3	177.6	-55.9	-32.2	0	0	0	111.9	R85 F86 V102 K103 A104 G108 Y110	R85-D106 IonicContact CZ-OD1 3.91Å; R85-D106 IonicContact CZ-OD2 2.69Å; R85-D106 VanDerWaalsContact CZ-OD2 3.23Å; R85-D106 IonicContact NH1-OD2 3.18Å; R85-D106 PolarHBondContact NH1-OD2 2.74Å; R85-D106 IonicContact NH2-OD1 3.02Å; R85-D106 PolarHBondContact NH2-OD1 3.11Å; R85-D106 IonicContact NH2-OD2 2.79Å; R85-D106 PolarHBondContact NH2-OD2 2.9Å; F86-D106 WeakPolarHBondContact CZ-OD1 3.45Å; V102-D106 HydrophobicContact CG1-CB 4.31Å; K103-D106 PolarHBondContact N-OD2 2.87Å; K103-D106 VanDerWaalsContact O-CB 3.31Å; K103-D106 WeakPolarHBondContact O-CB 3.4Å; K103-D106 PolarHBondContact O-N 3.11Å; A104-D106 PolarHBondContact O-N 3.18Å; D106-G108 PolarHBondContact O-N 2.86Å; D106-Y110 WeakPolarHBondContact O-CE2 3.24Å; D106-Y110 PolarHBondContact O-OH 2.95Å
107	V	94.3	Very high	95.5	Very high	105 Å²	105	54.2 Å²	54.2	64%	0.636	29%	0.285	S	S	*	.			trans	-69	118.2	177.1	177.9	0	0	0	0	110	A104 E105	A104-V107 WeakPolarHBondContact O-CG2 3.45Å; A104-V107 PolarHBondContact O-N 3.03Å; E105-V107 VanDerWaalsContact C-N 3.31Å
108	G	94.1	Very high	94.5	Very high	31 Å²	31	61.9 Å²	61.9	32%	0.32	32%	0.315	S	S	.	.	S	Bend	trans	172.5	-172.8	176.3	0	0	0	0	0	111.9	Q62 D106	Q62-G108 CarbonylContact O-C 3.59Å; Q62-G108 WeakPolarHBondContact O-CA 3.49Å; D106-G108 PolarHBondContact O-N 2.86Å
109	V	95.5	Very high	92.8	Very high	76 Å²	76	67.6 Å²	67.6	46%	0.461	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	130.5	176.4	-168.5	0	0	0	0	109.1	Q62 Y111	Q62-V109 PolarHBondContact N-O 3.11Å; Q62-V109 PolarHBondContact O-N 2.83Å; V109-Y111 HydrophobicContact CB-CE1 4.42Å; V109-Y111 HydrophobicContact CB-CE2 3.93Å; V109-Y111 HydrophobicContact CG1-CD1 4.24Å; V109-Y111 HydrophobicContact CG1-CE1 3.47Å; V109-Y111 VanDerWaalsContact CG1-CE1 3.47Å; V109-Y111 HydrophobicContact CG1-CE2 3.83Å; V109-Y111 VanDerWaalsContact CG1-OH 3.3Å; V109-Y111 WeakPolarHBondContact CG1-OH 3.18Å
110	Y	96.6	Very high	92.5	Very high	30 Å²	30	70.9 Å²	70.9	12%	0.118	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	130.5	-179.6	-71.1	-96.4	0	0	0	110.7	Q25 I40 F60 L61 L71 F86 L97 I99 D106	Q25-Y110 PolarHBondContact NE2-O 3.47Å; I40-Y110 HydrophobicContact CD1-CD1 3.86Å; I40-Y110 HydrophobicContact CD1-CD2 3.8Å; I40-Y110 HydrophobicContact CD1-CE1 4.35Å; I40-Y110 HydrophobicContact CD1-CE2 4.32Å; I40-Y110 HydrophobicContact CD1-CG 3.55Å; F60-Y110 VanDerWaalsContact O-CA 3.31Å; F60-Y110 WeakPolarHBondContact O-CA 3.4Å; L61-Y110 HydrophobicContact CB-CD1 4.17Å; L61-Y110 HydrophobicContact CB-CE1 3.92Å; L61-Y110 HydrophobicContact CD1-CD1 4.3Å; L61-Y110 HydrophobicContact CD1-CD2 4.07Å; L61-Y110 HydrophobicContact CD1-CE1 3.94Å; L61-Y110 HydrophobicContact CD1-CE2 3.67Å; L61-Y110 HydrophobicContact CD1-CG 4.37Å; L61-Y110 HydrophobicContact CD2-CE1 4.25Å; L61-Y110 HydrophobicContact CG-CE1 4.26Å; L71-Y110 HydrophobicContact CD1-CD1 3.91Å; L71-Y110 HydrophobicContact CD1-CE1 3.58Å; F86-Y110 AromaticContact CE1-CE1 3.99Å; F86-Y110 HydrophobicContact CE1-CE1 3.99Å; L97-Y110 HydrophobicContact CD2-CD1 3.58Å; L97-Y110 HydrophobicContact CD2-CE1 3.96Å; I99-Y110 HydrophobicContact CD1-CD1 4.46Å; I99-Y110 HydrophobicContact CD1-CE1 3.61Å; I99-Y110 HydrophobicContact CD1-CE2 4.17Å; I99-Y110 VanDerWaalsContact CD1-CZ 3.44Å; I99-Y110 WeakPolarHBondContact CD1-OH 3.38Å; D106-Y110 WeakPolarHBondContact O-CE2 3.24Å; D106-Y110 PolarHBondContact O-OH 2.95Å
111	Y	95.5	Very high	92.2	Very high	92 Å²	92	73.7 Å²	73.7	36%	0.361	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138.8	179.8	-50.1	-80.5	0	0	0	110.6	W59 F60 Q62 V109	W59-Y111 CarbonylContact C-O 3.54Å; W59-Y111 WeakPolarHBondContact CA-O 3.47Å; F60-Y111 PolarHBondContact N-O 2.73Å; F60-Y111 PolarHBondContact O-N 3.44Å; Q62-Y111 HydrophobicContact CB-CD2 4.48Å; Q62-Y111 HydrophobicContact CB-CE2 3.75Å; Q62-Y111 PolarHBondContact OE1-OH 2.78Å; Q62-Y111 VanDerWaalsContact OE1-OH 3.08Å; V109-Y111 HydrophobicContact CB-CE1 4.42Å; V109-Y111 HydrophobicContact CB-CE2 3.93Å; V109-Y111 HydrophobicContact CG1-CD1 4.24Å; V109-Y111 HydrophobicContact CG1-CE1 3.47Å; V109-Y111 VanDerWaalsContact CG1-CE1 3.47Å; V109-Y111 HydrophobicContact CG1-CE2 3.83Å; V109-Y111 VanDerWaalsContact CG1-OH 3.3Å; V109-Y111 WeakPolarHBondContact CG1-OH 3.18Å
112	C	96.9	Very high	91.9	Very high	11 Å²	11	70.3 Å²	70.3	7%	0.074	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	144.7	162.5	64.9	0	0	0	0	110.2	I23 Q25 C42 L57 N58 W59	I23-C112 WeakPolarHBondContact CG2-SG 2.99Å; Q25-C112 VanDerWaalsContact CD-SG 3.6Å; Q25-C112 VanDerWaalsContact CG-SG 3.52Å; C42-C112 HydrophobicContact CB-CB 3.62Å; C42-C112 WeakPolarHBondContact CB-SG 3.44Å; C42-C112 WeakPolarHBondContact SG-CB 3.27Å; C42-C112 CovalentContact SG-SG 2.02Å; C42-C112 PolarHBondContact SG-SG 3.24Å; L57-C112 HydrophobicContact CD1-CB 4.19Å; N58-C112 CarbonylContact O-C 3.55Å; N58-C112 VanDerWaalsContact O-CA 3.27Å; N58-C112 WeakPolarHBondContact O-CA 2.96Å; W59-C112 HydrophobicContact CD2-CB 4.02Å; W59-C112 HydrophobicContact CE3-CB 3.83Å; W59-C112 HydrophobicContact CH2-CB 3.95Å; W59-C112 HydrophobicContact CZ2-CB 4.09Å; W59-C112 HydrophobicContact CZ3-CB 3.79Å
113	Q	96.3	Very high	91.6	Very high	87 Å²	87	73.4 Å²	73.4	41%	0.407	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	129.6	-179.8	-176.7	-174	21.3	0	0	109.4	L57 N58 F60	L57-Q113 CarbonylContact C-O 3.51Å; L57-Q113 WeakPolarHBondContact CA-O 3.5Å; N58-Q113 PolarHBondContact N-O 2.91Å; N58-Q113 PolarHBondContact O-N 2.86Å; F60-Q113 HydrophobicContact CE2-CB 4.07Å
114	Q	95.2	Very high	91.3	Very high	28 Å²	28	72.1 Å²	72.1	13%	0.131	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	144.9	167.3	67.2	82	16.2	0	0	110.8	I21 I23 L48 Y56 E117	I21-Q114 HydrophobicContact CB-CG 4.19Å; I21-Q114 HydrophobicContact CG2-CG 3.79Å; I23-Q114 HydrophobicContact CD1-CB 4.04Å; I23-Q114 HydrophobicContact CD1-CG 4.01Å; I23-Q114 HydrophobicContact CG1-CG 4.07Å; L48-Q114 HydrophobicContact CD1-CB 3.69Å; L48-Q114 HydrophobicContact CD2-CB 3.66Å; L48-Q114 HydrophobicContact CD2-CG 4.37Å; L48-Q114 HydrophobicContact CG-CB 4.33Å; Y56-Q114 WeakPolarHBondContact O-CA 3.39Å; Q114-E117 PolarHBondContact NE2-O 3.09Å; Q114-E117 PolarHBondContact OE1-O 3.06Å
115	L	94.1	Very high	91.1	Very high	36 Å²	36	71.3 Å²	71.3	19%	0.188	38%	0.379	C	S	.	.			trans	-122.8	21.6	177.7	-57.7	96	0	0	0	112.7	Y56 N58	Y56-L115 HydrophobicContact CD1-CB 4.31Å; Y56-L115 PolarHBondContact O-N 3.05Å; N58-L115 HydrophobicContact CB-CD1 3.99Å; N58-L115 WeakPolarHBondContact ND2-CD1 3.42Å
116	V	93.3	Very high	90.9	Very high	45 Å²	45	69.6 Å²	69.6	27%	0.273	38%	0.375	S	S	.	.	S	Bend	trans	-79.9	-42.9	176.8	175.9	0	0	0	0	110.7	I21 L48 Y50	I21-V116 HydrophobicContact CD1-CB 3.87Å; I21-V116 HydrophobicContact CD1-CG1 3.98Å; L48-V116 HydrophobicContact CB-CG2 4.16Å; L48-V116 HydrophobicContact CD2-CG2 4.13Å; Y50-V116 HydrophobicContact CD2-CG1 4.1Å; Y50-V116 HydrophobicContact CE2-CG1 4.47Å
117	E	87.2	Confident	90.6	Very high	66 Å²	66	74.3 Å²	74.3	31%	0.308	40%	0.4	S	S	.	.			trans	-125.5	131.4	-178.3	-175	166.6	-150.2	0	0	109.2	I21 Q114	I21-E117 HydrophobicContact CD1-CB 3.97Å; I21-E117 HydrophobicContact CG1-CB 4.41Å; I21-E117 WeakPolarHBondContact CG1-OE2 3.27Å; I21-E117 PolarHBondContact N-OE2 3.01Å; Q114-E117 PolarHBondContact NE2-O 3.09Å; Q114-E117 PolarHBondContact OE1-O 3.06Å
118	Y	76.4	Confident	90.3	Very high	160 Å²	160	71.8 Å²	71.8	63%	0.627	38%	0.38	S	S	*	.			trans	-104.9	147.8	172.2	-62.8	-83.3	0	0	0	108.6
119	P	62.1	Low	89.9	Confident	199 Å²	199	75.5 Å²	75.5	100%	1.292	39%	0.385	S	S	*	.			trans	-57.4	0	171.3	-17.3	29.4	0	0	0	112.7

Retrieved 119 of 119 residues in 68.8 ms (Link to these results)

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