A0A075B5Q0_MOUSE Loading...

Immunoglobulin heavy variable 5-6

AlphaFold DB , UniProt , Accession A0A075B5Q0, Species MOUSE (Mus musculus, Mouse), Gene Ighv5-6, Length 117 aa.

						>A0A075B5Q0_MOUSE|A0A075B5Q0|Ighv5-6
MNFGLSLIFLALILKGVQCEVQLVESGGDLVKPGGSLKLSCAASGFTFSSYGMSWVRQTPDKRLEWVATISSGGSYTYYPDSVKGRFTISRDNAKNTLYLQMSSLKSEDTAMYYCAR
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.6	Very low	60.1	Low	227 Å²	227	121.2 Å²	121.2	100%	1.118	66%	0.659	S	S	*	*				0	114.4	0	-157.5	138.8	64.2	0	0	106.9	F3	M1-F3 PolarHBondContact O-N 3.2Å
2	N	54.1	Low	60.2	Low	133 Å²	133	120.2 Å²	120.2	71%	0.711	65%	0.652	S	S	*	*			trans	-63.6	109.6	-155.1	-73.2	-20.8	0	0	0	115	G4 L5	N2-G4 PolarHBondContact O-N 3.38Å; N2-L5 HydrophobicContact CB-CD1 4.25Å; N2-L5 PolarHBondContact O-N 3.35Å
3	F	58.9	Low	60.4	Low	183 Å²	183	120.8 Å²	120.8	80%	0.803	65%	0.652	S	S	*	*	H	α-helix	trans	-59.2	-23.1	176.6	-66.5	-80.9	0	0	0	114.3	M1 L5 S6	M1-F3 PolarHBondContact O-N 3.2Å; F3-L5 VanDerWaalsContact C-N 3.32Å; F3-L5 PolarHBondContact O-N 3.17Å; F3-S6 PolarHBondContact O-N 3.07Å
4	G	58.4	Low	60.4	Low	49 Å²	49	122.9 Å²	122.9	51%	0.505	66%	0.662	S	S	.	*	H	α-helix	trans	-65.4	-30.2	179.2	0	0	0	0	0	114.3	N2	N2-G4 PolarHBondContact O-N 3.38Å
5	L	61.8	Low	60.3	Low	101 Å²	101	126.3 Å²	126.3	53%	0.529	67%	0.668	S	S	.	*	H	α-helix	trans	-68.8	-37.5	177	-84.3	146.9	0	0	0	111.5	N2 F3 L7 I8 F9	N2-L5 HydrophobicContact CB-CD1 4.25Å; N2-L5 PolarHBondContact O-N 3.35Å; F3-L5 VanDerWaalsContact C-N 3.32Å; F3-L5 PolarHBondContact O-N 3.17Å; L5-L7 VanDerWaalsContact C-N 3.28Å; L5-L7 PolarHBondContact O-N 3.31Å; L5-I8 PolarHBondContact O-N 3.21Å; L5-F9 HydrophobicContact CB-CE2 4.47Å; L5-F9 HydrophobicContact CD2-CE2 4.28Å; L5-F9 WeakPolarHBondContact O-CD2 3.16Å; L5-F9 PolarHBondContact O-N 3.32Å; L5-F9 VanDerWaalsContact O-N 3.07Å
6	S	65.2	Low	60.3	Low	80 Å²	80	122 Å²	122	56%	0.559	66%	0.664	S	S	*	*	H	α-helix	trans	-62.6	-32.7	-177.4	-165.6	0	0	0	0	113.3	F3 L10	F3-S6 PolarHBondContact O-N 3.07Å; S6-L10 PolarHBondContact O-N 3.29Å
7	L	60.6	Low	60.6	Low	131 Å²	131	122.4 Å²	122.4	69%	0.686	67%	0.671	S	S	*	*	H	α-helix	trans	-72.7	-37.9	177.8	-82	156.7	0	0	0	112.3	L5 L10 A11	L5-L7 VanDerWaalsContact C-N 3.28Å; L5-L7 PolarHBondContact O-N 3.31Å; L7-L10 PolarHBondContact O-N 3.4Å; L7-A11 PolarHBondContact O-N 3.21Å
8	I	65.4	Low	60.4	Low	113 Å²	113	124.7 Å²	124.7	58%	0.579	68%	0.676	S	S	*	*	H	α-helix	trans	-66.3	-40.5	175.2	-61.3	170.8	0	0	0	110.3	L5 L10 A11	L5-I8 PolarHBondContact O-N 3.21Å; I8-L10 VanDerWaalsContact C-N 3.34Å; I8-L10 PolarHBondContact O-N 3.16Å; I8-A11 PolarHBondContact O-N 2.95Å
9	F	64.2	Low	60.8	Low	135 Å²	135	124.6 Å²	124.6	59%	0.592	68%	0.684	S	S	*	*	H	α-helix	trans	-60.9	-40	174.6	-82.9	-74.4	0	0	0	112.3	L5 L12 I13	L5-F9 HydrophobicContact CB-CE2 4.47Å; L5-F9 HydrophobicContact CD2-CE2 4.28Å; L5-F9 WeakPolarHBondContact O-CD2 3.16Å; L5-F9 PolarHBondContact O-N 3.32Å; L5-F9 VanDerWaalsContact O-N 3.07Å; F9-L12 PolarHBondContact O-N 2.77Å; F9-I13 VanDerWaalsContact O-CG1 3.23Å; F9-I13 WeakPolarHBondContact O-CG1 3.45Å
10	L	61.9	Low	62	Low	108 Å²	108	125.5 Å²	125.5	57%	0.565	68%	0.683	S	S	*	*	H	α-helix	trans	-67	-38.6	-179.6	-149.4	86.7	0	0	0	112.9	S6 L7 I8 L12 I13	S6-L10 PolarHBondContact O-N 3.29Å; L7-L10 PolarHBondContact O-N 3.4Å; I8-L10 VanDerWaalsContact C-N 3.34Å; I8-L10 PolarHBondContact O-N 3.16Å; L10-L12 PolarHBondContact O-N 3Å; L10-I13 HydrophobicContact CD1-CD1 4.3Å; L10-I13 PolarHBondContact O-N 3.2Å
11	A	62	Low	63.4	Low	73 Å²	73	122.8 Å²	122.8	60%	0.603	67%	0.67	S	S	*	*	H	α-helix	trans	-64.1	-26.1	178.2	0	0	0	0	0	113	L7 I8	L7-A11 PolarHBondContact O-N 3.21Å; I8-A11 PolarHBondContact O-N 2.95Å
12	L	61.9	Low	65.6	Low	109 Å²	109	116.9 Å²	116.9	57%	0.571	64%	0.64	S	S	*	*	H	α-helix	trans	-78.1	-21	177	-68.8	167.7	0	0	0	113.5	F9 L10	F9-L12 PolarHBondContact O-N 2.77Å; L10-L12 PolarHBondContact O-N 3Å
13	I	62.9	Low	67.7	Low	128 Å²	128	112.8 Å²	112.8	66%	0.656	62%	0.618	S	S	*	*	H	α-helix	trans	-78.4	-23.5	-178	-37.6	179.3	0	0	0	111.4	F9 L10 K15	F9-I13 VanDerWaalsContact O-CG1 3.23Å; F9-I13 WeakPolarHBondContact O-CG1 3.45Å; L10-I13 HydrophobicContact CD1-CD1 4.3Å; L10-I13 PolarHBondContact O-N 3.2Å; I13-K15 PolarHBondContact O-N 3.23Å; I13-K15 VanDerWaalsContact O-N 3.14Å
14	L	59.7	Low	69.5	Low	151 Å²	151	107.1 Å²	107.1	79%	0.791	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	30.2	175.8	-69	169.6	0	0	0	113.1	G16	L14-G16 PolarHBondContact O-N 2.85Å
15	K	58.7	Low	71.4	Confident	173 Å²	173	107.9 Å²	107.9	75%	0.752	59%	0.589	S	S	*	*			trans	-68.6	80.8	154.9	-64.1	-142.1	-177.9	-170.6	0	106.8	I13 V17	I13-K15 PolarHBondContact O-N 3.23Å; I13-K15 VanDerWaalsContact O-N 3.14Å; K15-V17 PolarHBondContact O-N 3.37Å
16	G	60.8	Low	73.1	Confident	58 Å²	58	105.9 Å²	105.9	60%	0.598	58%	0.583	S	S	*	*			trans	-46.8	132.5	177.6	0	0	0	0	0	109.4	L14 Q18	L14-G16 PolarHBondContact O-N 2.85Å; G16-Q18 PolarHBondContact O-N 3.14Å
17	V	65	Low	74.5	Confident	129 Å²	129	103.9 Å²	103.9	78%	0.782	58%	0.575	S	S	*	*			trans	-58.9	103.2	173.8	175.4	0	0	0	0	106.8	K15 C19	K15-V17 PolarHBondContact O-N 3.37Å; V17-C19 VanDerWaalsContact C-N 3.25Å; V17-C19 PolarHBondContact O-N 2.89Å
18	Q	57.5	Low	75.9	Confident	164 Å²	164	100.8 Å²	100.8	77%	0.766	58%	0.575	S	S	*	*			trans	-73.2	88.5	169.7	-70	-168.6	-42.5	0	0	106.9	G16 E20	G16-Q18 PolarHBondContact O-N 3.14Å; Q18-E20 PolarHBondContact O-N 3.2Å
19	C	67	Low	77	Confident	122 Å²	122	101.4 Å²	101.4	82%	0.824	58%	0.579	S	S	*	*			trans	-76.7	44.4	167.3	-94.2	0	0	0	0	110.6	V17	V17-C19 VanDerWaalsContact C-N 3.25Å; V17-C19 PolarHBondContact O-N 2.89Å
20	E	86.1	Confident	78.3	Confident	142 Å²	142	102.9 Å²	102.9	66%	0.664	59%	0.592	S	S	*	*	S	Bend	trans	-104.7	146.6	177	-166.5	168.1	-170	0	0	109.5	Q18 Q22	Q18-E20 PolarHBondContact O-N 3.2Å; E20-Q22 PolarHBondContact O-N 3.27Å
21	V	91.2	Very high	79.7	Confident	70 Å²	70	100.4 Å²	100.4	42%	0.424	58%	0.582	S	S	.	*			trans	-61.4	126.5	173.5	168.4	0	0	0	0	108.5	F46	V21-F46 HydrophobicContact CB-CD1 4.5Å; V21-F46 HydrophobicContact CG1-CD1 3.73Å; V21-F46 HydrophobicContact CG1-CE1 3.94Å; V21-F46 HydrophobicContact CG2-CB 4.37Å; V21-F46 HydrophobicContact CG2-CD1 4.22Å
22	Q	95	Very high	81.1	Confident	103 Å²	103	105.4 Å²	105.4	48%	0.481	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124	136.8	179.1	-156.1	-176.4	17.6	0	0	110.7	E20 V24 A43 S44	E20-Q22 PolarHBondContact O-N 3.27Å; Q22-V24 HydrophobicContact CG-CG2 3.7Å; Q22-A43 WeakPolarHBondContact O-CA 3.32Å; Q22-S44 WeakPolarHBondContact CB-OG 3.16Å; Q22-S44 PolarHBondContact N-O 3.08Å; Q22-S44 PolarHBondContact O-N 3Å
23	L	97.6	Very high	82.6	Confident	47 Å²	47	105.2 Å²	105.2	25%	0.246	60%	0.595	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.8	122.2	170.7	-66.6	-178.1	0	0	0	106.4	A42 A43 F46 M53 C115	L23-A42 WeakPolarHBondContact CA-O 3.42Å; L23-A43 HydrophobicContact CD2-CB 3.66Å; L23-F46 HydrophobicContact CD2-CE1 3.97Å; L23-F46 HydrophobicContact CD2-CZ 4.14Å; L23-M53 HydrophobicContact CD2-CE 3.99Å; L23-C115 WeakPolarHBondContact CD1-O 3.28Å
24	V	97.5	Very high	84.2	Confident	63 Å²	63	101.8 Å²	101.8	38%	0.382	59%	0.592	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.2	103	-174.8	-174.6	0	0	0	0	109.8	Q22 C41 A42	Q22-V24 HydrophobicContact CG-CG2 3.7Å; V24-C41 WeakPolarHBondContact O-CA 3.08Å; V24-A42 PolarHBondContact N-O 2.66Å; V24-A42 PolarHBondContact O-N 3.26Å
25	E	98.1	Very high	85.9	Confident	66 Å²	66	95.8 Å²	95.8	31%	0.308	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80	144.6	178	-59	85	170.7	0	0	112.6	S40 C41 W55 Y114 C115	E25-S40 CarbonylContact C-O 3.57Å; E25-S40 VanDerWaalsContact CA-O 3.31Å; E25-S40 WeakPolarHBondContact CA-O 3.18Å; E25-C41 HydrophobicContact CG-CB 4.38Å; E25-W55 HydrophobicContact CB-CH2 4.4Å; E25-W55 HydrophobicContact CB-CZ3 4.45Å; E25-W55 HydrophobicContact CG-CH2 3.98Å; E25-W55 HydrophobicContact CG-CZ3 3.8Å; E25-Y114 WeakPolarHBondContact OE1-CA 3.25Å; E25-C115 PolarHBondContact OE1-N 3.4Å; E25-C115 PolarHBondContact OE1-SG 3.16Å
26	S	97.6	Very high	87.7	Confident	59 Å²	59	90.9 Å²	90.9	41%	0.413	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-155.7	165.1	-179.2	46.5	0	0	0	0	111.3	L39 S40	S26-L39 WeakPolarHBondContact O-CA 3.5Å; S26-S40 PolarHBondContact N-O 2.98Å; S26-S40 PolarHBondContact O-N 2.94Å; S26-S40 PolarHBondContact OG-O 3.2Å; S26-S40 PolarHBondContact OG-OG 3.1Å
27	G	94.9	Very high	89.4	Confident	38 Å²	38	89.5 Å²	89.5	39%	0.392	53%	0.532	S	S	.	.			trans	88.7	6.6	179.9	0	0	0	0	0	114.9	D29 L37 L39	G27-D29 PolarHBondContact O-N 3.34Å; G27-L37 VanDerWaalsContact O-CD1 3.31Å; G27-L37 WeakPolarHBondContact O-CD1 3.34Å; G27-L37 WeakPolarHBondContact O-CG 3.41Å; G27-L39 VanDerWaalsContact C-CD2 3.5Å; G27-L39 WeakPolarHBondContact O-CD2 3.14Å
28	G	89	Confident	90.9	Very high	66 Å²	66	88.6 Å²	88.6	68%	0.68	52%	0.518	S	S	*	.			trans	-72.9	112.6	170.6	0	0	0	0	0	110.8
29	D	89.2	Confident	92.9	Very high	125 Å²	125	81.1 Å²	81.1	67%	0.668	48%	0.483	S	S	*	.			trans	-135.4	159.1	175.6	-159	-4.2	0	0	0	110.2	G27 V31 L37	G27-D29 PolarHBondContact O-N 3.34Å; D29-V31 PolarHBondContact O-N 3.45Å; D29-L37 HydrophobicContact CB-CD1 4.08Å
30	L	90.2	Very high	94.4	Very high	166 Å²	166	76.8 Å²	76.8	87%	0.869	45%	0.454	S	S	*	.			trans	-76.9	113.6	175.7	-177	66.5	0	0	0	109.7
31	V	93	Very high	95	Very high	57 Å²	57	70 Å²	70	35%	0.345	42%	0.422	S	S	.	.			trans	-120.2	148.1	178.2	-63.9	0	0	0	0	110.9	D29 L37 L105	D29-V31 PolarHBondContact O-N 3.45Å; V31-L37 HydrophobicContact CG1-CD1 3.91Å; V31-L105 HydrophobicContact CG2-CD1 3.31Å
32	K	91.6	Very high	95.3	Very high	178 Å²	178	68.9 Å²	68.9	77%	0.774	42%	0.421	S	S	*	.			trans	-68	149.5	175.6	-65.1	-178.1	-178.2	179.4	0	110.1	G35	K32-G35 WeakPolarHBondContact O-CA 3.31Å; K32-G35 PolarHBondContact O-N 3.44Å
33	P	92.8	Very high	95.4	Very high	104 Å²	104	64.4 Å²	64.4	68%	0.675	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	143.2	169.2	-26.3	34.8	0	0	0	111.9	G35 L105	P33-G35 PolarHBondContact O-N 3.29Å; P33-L105 CarbonylContact C-O 3.56Å; P33-L105 WeakPolarHBondContact CA-O 3.45Å
34	G	95.2	Very high	95.3	Very high	57 Å²	57	64.5 Å²	64.5	59%	0.588	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	-11.1	-170.9	0	0	0	0	0	114.3	L105	G34-L105 PolarHBondContact N-O 3.35Å
35	G	95.7	Very high	95.2	Very high	25 Å²	25	64.1 Å²	64.1	26%	0.258	42%	0.415	S	S	.	.			trans	-69.1	-178.4	176.1	0	0	0	0	0	113.9	K32 P33 S104 L105	K32-G35 WeakPolarHBondContact O-CA 3.31Å; K32-G35 PolarHBondContact O-N 3.44Å; P33-G35 PolarHBondContact O-N 3.29Å; G35-S104 PolarHBondContact O-N 3.24Å; G35-L105 PolarHBondContact O-N 3.32Å; G35-L105 VanDerWaalsContact O-N 3.16Å
36	S	96.2	Very high	95	Very high	69 Å²	69	62.6 Å²	62.6	48%	0.483	41%	0.407	S	S	.	.			trans	-130.8	149.1	176.4	-61.6	0	0	0	0	110.2	M102	S36-M102 CarbonylContact C-O 3.5Å; S36-M102 WeakPolarHBondContact CA-O 3.4Å; S36-M102 VanDerWaalsContact CB-O 3.25Å; S36-M102 WeakPolarHBondContact CB-O 3.44Å
37	L	96.4	Very high	94.9	Very high	30 Å²	30	63.8 Å²	63.8	16%	0.157	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	154	179	-166.7	72.5	0	0	0	109.1	G27 D29 V31 L39 M102 L105	G27-L37 VanDerWaalsContact O-CD1 3.31Å; G27-L37 WeakPolarHBondContact O-CD1 3.34Å; G27-L37 WeakPolarHBondContact O-CG 3.41Å; D29-L37 HydrophobicContact CB-CD1 4.08Å; V31-L37 HydrophobicContact CG1-CD1 3.91Å; L37-L39 HydrophobicContact CD2-CD2 3.61Å; L37-L39 HydrophobicContact CD2-CG 4.46Å; L37-L39 HydrophobicContact CG-CD2 4.2Å; L37-M102 PolarHBondContact N-O 2.77Å; L37-M102 PolarHBondContact O-N 2.82Å; L37-L105 HydrophobicContact CB-CD1 3.94Å
38	K	97.7	Very high	94.9	Very high	109 Å²	109	62 Å²	62	47%	0.474	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	118.1	171.3	-176.6	179	177	179	0	109.4	Y99 L100	K38-Y99 VanDerWaalsContact CE-CD1 3.46Å; K38-L100 WeakPolarHBondContact CA-O 3.23Å
39	L	98.4	Very high	95.3	Very high	8 Å²	8	61.5 Å²	61.5	4%	0.042	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	149.7	171	-51.8	-176.9	0	0	0	110.4	S26 G27 L37 W55 Y99 L100 M102 Y113	S26-L39 WeakPolarHBondContact O-CA 3.5Å; G27-L39 VanDerWaalsContact C-CD2 3.5Å; G27-L39 WeakPolarHBondContact O-CD2 3.14Å; L37-L39 HydrophobicContact CD2-CD2 3.61Å; L37-L39 HydrophobicContact CD2-CG 4.46Å; L37-L39 HydrophobicContact CG-CD2 4.2Å; L39-W55 HydrophobicContact CB-CH2 3.8Å; L39-W55 HydrophobicContact CB-CZ2 3.96Å; L39-W55 HydrophobicContact CB-CZ3 4.35Å; L39-W55 HydrophobicContact CD1-CE3 4.45Å; L39-W55 HydrophobicContact CD1-CH2 4.46Å; L39-W55 HydrophobicContact CD1-CZ3 4.18Å; L39-Y99 VanDerWaalsContact O-CA 3.3Å; L39-Y99 WeakPolarHBondContact O-CA 3.3Å; L39-L100 HydrophobicContact CB-CB 4.19Å; L39-L100 HydrophobicContact CD1-CD2 4.22Å; L39-L100 PolarHBondContact N-O 3.18Å; L39-L100 PolarHBondContact O-N 2.96Å; L39-M102 HydrophobicContact CD1-SD 4.06Å; L39-M102 HydrophobicContact CG-SD 4.13Å; L39-Y113 HydrophobicContact CD1-CD1 3.78Å; L39-Y113 HydrophobicContact CD1-CD2 4.2Å; L39-Y113 HydrophobicContact CD1-CG 3.57Å
40	S	98.6	Very high	95.6	Very high	30 Å²	30	59.2 Å²	59.2	21%	0.21	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	146.3	170.9	39.6	0	0	0	0	110.8	E25 S26 L98	E25-S40 CarbonylContact C-O 3.57Å; E25-S40 VanDerWaalsContact CA-O 3.31Å; E25-S40 WeakPolarHBondContact CA-O 3.18Å; S26-S40 PolarHBondContact N-O 2.98Å; S26-S40 PolarHBondContact O-N 2.94Å; S26-S40 PolarHBondContact OG-O 3.2Å; S26-S40 PolarHBondContact OG-OG 3.1Å; S40-L98 CarbonylContact C-O 3.56Å; S40-L98 VanDerWaalsContact CA-O 3.32Å; S40-L98 WeakPolarHBondContact CA-O 3.41Å
41	C	98.5	Very high	96	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	113.1	172	158.6	0	0	0	0	109.1	V24 E25 W55 T97 L98 C115	V24-C41 WeakPolarHBondContact O-CA 3.08Å; E25-C41 HydrophobicContact CG-CB 4.38Å; C41-W55 HydrophobicContact CB-CH2 3.72Å; C41-W55 HydrophobicContact CB-CZ2 3.7Å; C41-T97 CarbonylContact O-C 3.48Å; C41-T97 WeakPolarHBondContact O-CA 3.31Å; C41-L98 HydrophobicContact CB-CB 4.19Å; C41-L98 PolarHBondContact N-O 2.98Å; C41-L98 PolarHBondContact O-N 2.89Å; C41-C115 HydrophobicContact CB-CB 3.44Å; C41-C115 VanDerWaalsContact CB-CB 3.44Å; C41-C115 WeakPolarHBondContact CB-SG 3.49Å; C41-C115 WeakPolarHBondContact SG-CB 3.32Å; C41-C115 CovalentContact SG-SG 2.01Å; C41-C115 PolarHBondContact SG-SG 2.83Å
42	A	98.1	Very high	96.2	Very high	47 Å²	47	54.5 Å²	54.5	39%	0.388	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	127.8	174.1	0	0	0	0	0	109.5	L23 V24	L23-A42 WeakPolarHBondContact CA-O 3.42Å; V24-A42 PolarHBondContact N-O 2.66Å; V24-A42 PolarHBondContact O-N 3.26Å
43	A	97.6	Very high	96.5	Very high	8 Å²	8	46 Å²	46	7%	0.066	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	137.2	-177.7	0	0	0	0	0	111.7	Q22 L23 F46 F48 N96	Q22-A43 WeakPolarHBondContact O-CA 3.32Å; L23-A43 HydrophobicContact CD2-CB 3.66Å; A43-F46 HydrophobicContact CB-CE1 3.86Å; A43-F46 HydrophobicContact CB-CZ 3.82Å; A43-F48 HydrophobicContact CB-CD2 3.51Å; A43-F48 HydrophobicContact CB-CE2 4.02Å; A43-F48 HydrophobicContact CB-CG 4.38Å; A43-N96 PolarHBondContact N-O 3.45Å; A43-N96 VanDerWaalsContact O-CB 3.27Å; A43-N96 WeakPolarHBondContact O-CB 3.46Å
44	S	95.6	Very high	96.8	Very high	50 Å²	50	41.5 Å²	41.5	35%	0.35	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	168.4	175.9	70.7	0	0	0	0	111.3	Q22 F46	Q22-S44 WeakPolarHBondContact CB-OG 3.16Å; Q22-S44 PolarHBondContact N-O 3.08Å; Q22-S44 PolarHBondContact O-N 3Å; S44-F46 VanDerWaalsContact C-N 3.31Å; S44-F46 WeakPolarHBondContact O-CD1 3.43Å; S44-F46 PolarHBondContact O-N 2.86Å
45	G	94	Very high	96.9	Very high	55 Å²	55	38.8 Å²	38.8	57%	0.567	25%	0.253	S	S	*	.	S	Bend	trans	80	4.4	-178	0	0	0	0	0	115.2
46	F	94.1	Very high	97.1	Very high	33 Å²	33	38.6 Å²	38.6	15%	0.145	25%	0.246	C	C	.	.	S	Bend	trans	-155.7	166.9	172.3	68.3	-78.3	0	0	0	112	V21 L23 A43 S44 F48 Y51 M53 R117	V21-F46 HydrophobicContact CB-CD1 4.5Å; V21-F46 HydrophobicContact CG1-CD1 3.73Å; V21-F46 HydrophobicContact CG1-CE1 3.94Å; V21-F46 HydrophobicContact CG2-CB 4.37Å; V21-F46 HydrophobicContact CG2-CD1 4.22Å; L23-F46 HydrophobicContact CD2-CE1 3.97Å; L23-F46 HydrophobicContact CD2-CZ 4.14Å; A43-F46 HydrophobicContact CB-CE1 3.86Å; A43-F46 HydrophobicContact CB-CZ 3.82Å; S44-F46 VanDerWaalsContact C-N 3.31Å; S44-F46 WeakPolarHBondContact O-CD1 3.43Å; S44-F46 PolarHBondContact O-N 2.86Å; F46-F48 HydrophobicContact CE2-CB 4.35Å; F46-F48 HydrophobicContact CE2-CD2 4.39Å; F46-F48 HydrophobicContact CZ-CD2 4.24Å; F46-F48 PolarHBondContact O-N 2.78Å; F46-Y51 AromaticContact CD2-CD2 3.58Å; F46-Y51 HydrophobicContact CD2-CD2 3.58Å; F46-Y51 AromaticContact CD2-CE2 3.84Å; F46-Y51 HydrophobicContact CD2-CE2 3.84Å; F46-Y51 HydrophobicContact CD2-CG 4.44Å; F46-Y51 AromaticContact CE2-CD2 3.94Å; F46-Y51 HydrophobicContact CE2-CD2 3.94Å; F46-Y51 HydrophobicContact CE2-CG 4.45Å; F46-M53 HydrophobicContact CE2-SD 4.27Å; F46-M53 HydrophobicContact CZ-CE 4.42Å; F46-M53 HydrophobicContact CZ-SD 4.14Å; F46-R117 VanDerWaalsContact CB-NH1 3.31Å; F46-R117 HydrophobicContact CE2-CG 4.04Å; F46-R117 VanDerWaalsContact CG-NH1 3.27Å; F46-R117 HydrophobicContact CZ-CG 4.4Å
47	T	95.6	Very high	97.1	Very high	84 Å²	84	35.9 Å²	35.9	52%	0.515	23%	0.225	S	C	.	.			trans	-74.5	89	174.6	-50.1	0	0	0	0	110.6	S49 S50 Y51	T47-S49 WeakPolarHBondContact CG2-OG 3.35Å; T47-S49 PolarHBondContact O-N 2.91Å; T47-S49 VanDerWaalsContact O-N 3.14Å; T47-S50 WeakPolarHBondContact CG2-OG 3.35Å; T47-S50 WeakPolarHBondContact O-CB 3.33Å; T47-S50 PolarHBondContact O-N 3.1Å; T47-Y51 WeakPolarHBondContact O-CD2 3.02Å
48	F	96.3	Very high	97.1	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.009	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-50.4	-39	-177.1	177.3	-101.9	0	0	0	114.2	A43 F46 S50 Y51 M53 R91 N93 N96 L98	A43-F48 HydrophobicContact CB-CD2 3.51Å; A43-F48 HydrophobicContact CB-CE2 4.02Å; A43-F48 HydrophobicContact CB-CG 4.38Å; F46-F48 HydrophobicContact CE2-CB 4.35Å; F46-F48 HydrophobicContact CE2-CD2 4.39Å; F46-F48 HydrophobicContact CZ-CD2 4.24Å; F46-F48 PolarHBondContact O-N 2.78Å; F48-S50 PolarHBondContact O-N 3.32Å; F48-Y51 PolarHBondContact O-N 2.81Å; F48-M53 HydrophobicContact CD2-CG 4.16Å; F48-M53 HydrophobicContact CD2-SD 4.19Å; F48-M53 HydrophobicContact CE2-CE 4.19Å; F48-M53 HydrophobicContact CE2-CG 3.6Å; F48-M53 HydrophobicContact CE2-SD 4.06Å; F48-M53 HydrophobicContact CZ-CG 4.14Å; F48-R91 HydrophobicContact CE1-CB 4.3Å; F48-R91 HydrophobicContact CZ-CB 4.26Å; F48-R91 PolarHBondContact O-NH2 3.45Å; F48-N93 WeakPolarHBondContact CD1-OD1 3.27Å; F48-N93 VanDerWaalsContact CE1-OD1 3.3Å; F48-N93 WeakPolarHBondContact CE1-OD1 3.21Å; F48-N96 HydrophobicContact CB-CB 3.93Å; F48-N96 WeakPolarHBondContact CB-OD1 3.34Å; F48-N96 HydrophobicContact CD1-CB 4.37Å; F48-N96 HydrophobicContact CG-CB 4.11Å; F48-L98 HydrophobicContact CE2-CB 4.44Å; F48-L98 HydrophobicContact CZ-CB 4.29Å
49	S	96.7	Very high	96.9	Very high	54 Å²	54	33 Å²	33	38%	0.378	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-67	-18.2	178.7	56.7	0	0	0	0	114.2	T47 Y51 S72	T47-S49 WeakPolarHBondContact CG2-OG 3.35Å; T47-S49 PolarHBondContact O-N 2.91Å; T47-S49 VanDerWaalsContact O-N 3.14Å; S49-Y51 VanDerWaalsContact C-N 3.34Å; S49-S72 VanDerWaalsContact O-CB 3.28Å; S49-S72 WeakPolarHBondContact O-CB 3.33Å
50	S	96.4	Very high	96.6	Very high	77 Å²	77	38 Å²	38	54%	0.538	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-83	-8.5	179.4	-60	0	0	0	0	113.6	T47 F48	T47-S50 WeakPolarHBondContact CG2-OG 3.35Å; T47-S50 WeakPolarHBondContact O-CB 3.33Å; T47-S50 PolarHBondContact O-N 3.1Å; F48-S50 PolarHBondContact O-N 3.32Å
51	Y	97.1	Very high	96.3	Very high	97 Å²	97	41.9 Å²	41.9	38%	0.38	27%	0.265	S	S	.	.	S	Bend	trans	-123.4	144.4	-173.6	-62.7	-93.4	0	0	0	112.8	F46 T47 F48 S49 S72 R91 R117	F46-Y51 AromaticContact CD2-CD2 3.58Å; F46-Y51 HydrophobicContact CD2-CD2 3.58Å; F46-Y51 AromaticContact CD2-CE2 3.84Å; F46-Y51 HydrophobicContact CD2-CE2 3.84Å; F46-Y51 HydrophobicContact CD2-CG 4.44Å; F46-Y51 AromaticContact CE2-CD2 3.94Å; F46-Y51 HydrophobicContact CE2-CD2 3.94Å; F46-Y51 HydrophobicContact CE2-CG 4.45Å; T47-Y51 WeakPolarHBondContact O-CD2 3.02Å; F48-Y51 PolarHBondContact O-N 2.81Å; S49-Y51 VanDerWaalsContact C-N 3.34Å; Y51-S72 WeakPolarHBondContact O-CA 3.33Å; Y51-R91 PolarHBondContact O-NH1 3.06Å; Y51-R91 PolarHBondContact O-NH2 2.94Å; Y51-R117 VanDerWaalsContact CB-CG 3.43Å; Y51-R117 HydrophobicContact CD1-CG 3.67Å; Y51-R117 HydrophobicContact CD2-CG 4.34Å; Y51-R117 HydrophobicContact CG-CG 3.57Å
52	G	97.7	Very high	95.8	Very high	27 Å²	27	49.7 Å²	49.7	28%	0.278	30%	0.299	S	S	.	.			trans	-64.2	150.5	158.8	0	0	0	0	0	109.2	I70	G52-I70 CarbonylContact C-O 3.48Å; G52-I70 VanDerWaalsContact CA-O 3.27Å; G52-I70 WeakPolarHBondContact CA-O 3.48Å
53	M	98.3	Very high	95.5	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	151.1	-179.3	-63.9	-64.4	-56.7	0	0	109.1	L23 F46 F48 I70 L98 A116 R117	L23-M53 HydrophobicContact CD2-CE 3.99Å; F46-M53 HydrophobicContact CE2-SD 4.27Å; F46-M53 HydrophobicContact CZ-CE 4.42Å; F46-M53 HydrophobicContact CZ-SD 4.14Å; F48-M53 HydrophobicContact CD2-CG 4.16Å; F48-M53 HydrophobicContact CD2-SD 4.19Å; F48-M53 HydrophobicContact CE2-CE 4.19Å; F48-M53 HydrophobicContact CE2-CG 3.6Å; F48-M53 HydrophobicContact CE2-SD 4.06Å; F48-M53 HydrophobicContact CZ-CG 4.14Å; M53-I70 HydrophobicContact CB-CG2 4.35Å; M53-I70 PolarHBondContact N-O 3.14Å; M53-I70 WeakPolarHBondContact O-CG2 3.01Å; M53-I70 PolarHBondContact O-N 2.85Å; M53-L98 HydrophobicContact CB-CD1 3.78Å; M53-L98 HydrophobicContact CB-CD2 3.87Å; M53-L98 HydrophobicContact CB-CG 4.38Å; M53-A116 CarbonylContact C-O 3.58Å; M53-A116 WeakPolarHBondContact CA-O 3.47Å; M53-A116 WeakPolarHBondContact CE-O 3.21Å; M53-R117 HydrophobicContact CE-CB 4.18Å; M53-R117 HydrophobicContact SD-CB 3.77Å; M53-R117 HydrophobicContact SD-CG 3.84Å
54	S	98.5	Very high	95.5	Very high	9 Å²	9	59.3 Å²	59.3	6%	0.063	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	153.9	-175.1	-63.8	0	0	0	0	111.3	A68 T69 C115 A116	S54-A68 CarbonylContact C-O 3.48Å; S54-A68 WeakPolarHBondContact CA-O 3.33Å; S54-T69 WeakPolarHBondContact OG-CB 2.96Å; S54-T69 VanDerWaalsContact OG-CG2 3.26Å; S54-T69 WeakPolarHBondContact OG-CG2 3.44Å; S54-T69 PolarHBondContact OG-OG1 2.79Å; S54-C115 CarbonylContact O-C 3.57Å; S54-C115 VanDerWaalsContact O-CA 3.3Å; S54-C115 WeakPolarHBondContact O-CA 3.49Å; S54-A116 PolarHBondContact N-O 3.13Å; S54-A116 PolarHBondContact O-N 2.93Å
55	W	98.6	Very high	95.5	Very high	1 Å²	1	58.6 Å²	58.6	0%	0.004	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	130.8	163.2	-77	97.4	0	0	0	109.2	E25 L39 C41 V67 A68 L98 L100 Y114 C115	E25-W55 HydrophobicContact CB-CH2 4.4Å; E25-W55 HydrophobicContact CB-CZ3 4.45Å; E25-W55 HydrophobicContact CG-CH2 3.98Å; E25-W55 HydrophobicContact CG-CZ3 3.8Å; L39-W55 HydrophobicContact CB-CH2 3.8Å; L39-W55 HydrophobicContact CB-CZ2 3.96Å; L39-W55 HydrophobicContact CB-CZ3 4.35Å; L39-W55 HydrophobicContact CD1-CE3 4.45Å; L39-W55 HydrophobicContact CD1-CH2 4.46Å; L39-W55 HydrophobicContact CD1-CZ3 4.18Å; C41-W55 HydrophobicContact CB-CH2 3.72Å; C41-W55 HydrophobicContact CB-CZ2 3.7Å; W55-V67 HydrophobicContact CB-CB 4.12Å; W55-V67 WeakPolarHBondContact O-CB 3.31Å; W55-V67 PolarHBondContact O-N 3.09Å; W55-A68 PolarHBondContact N-O 3.35Å; W55-A68 PolarHBondContact O-N 2.96Å; W55-L98 HydrophobicContact CD2-CD2 4.49Å; W55-L98 HydrophobicContact CG-CD2 4.35Å; W55-L98 VanDerWaalsContact NE1-CD2 3.35Å; W55-L100 HydrophobicContact CB-CD2 4.23Å; W55-L100 HydrophobicContact CD2-CB 4.2Å; W55-L100 HydrophobicContact CD2-CD2 4.36Å; W55-L100 HydrophobicContact CG-CB 4.13Å; W55-L100 HydrophobicContact CG-CD1 4.49Å; W55-L100 HydrophobicContact CG-CD2 4.05Å; W55-L100 HydrophobicContact CG-CG 4.46Å; W55-L100 HydrophobicContact CZ2-CB 4.45Å; W55-Y114 WeakPolarHBondContact CA-O 3.47Å; W55-C115 HydrophobicContact CD2-CB 4.46Å; W55-C115 HydrophobicContact CE3-CB 4.34Å; W55-C115 HydrophobicContact CH2-CB 4.4Å; W55-C115 HydrophobicContact CZ3-CB 4.31Å
56	V	98.2	Very high	95.7	Very high	20 Å²	20	63 Å²	63	12%	0.121	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	140.8	173.3	-177.4	0	0	0	0	107.1	L64 E65 W66 Y114 A116	V56-L64 HydrophobicContact CG1-CB 4.39Å; V56-L64 HydrophobicContact CG1-CD2 4.06Å; V56-E65 CarbonylContact C-O 3.45Å; V56-E65 WeakPolarHBondContact CA-O 3.49Å; V56-W66 HydrophobicContact CG2-CD2 4.16Å; V56-W66 HydrophobicContact CG2-CE3 3.43Å; V56-W66 VanDerWaalsContact CG2-CE3 3.43Å; V56-W66 HydrophobicContact CG2-CH2 3.95Å; V56-W66 HydrophobicContact CG2-CZ3 3.26Å; V56-Y114 PolarHBondContact N-O 3.3Å; V56-Y114 PolarHBondContact O-N 3.5Å; V56-Y114 VanDerWaalsContact O-O 3.1Å; V56-A116 HydrophobicContact CG2-CB 4.18Å
57	R	97	Very high	95.9	Very high	13 Å²	13	61.5 Å²	61.5	5%	0.049	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	144.7	169.5	72.1	-178.4	-178.3	-179.3	5.8	111.4	L64 E65 V67 E108 D109 A111 M112 Y113	R57-L64 WeakPolarHBondContact O-CA 3.29Å; R57-E65 HydrophobicContact CG-CB 4.02Å; R57-E65 IonicContact CZ-OE2 3.26Å; R57-E65 VanDerWaalsContact CZ-OE2 3.22Å; R57-E65 PolarHBondContact N-O 2.8Å; R57-E65 IonicContact NE-OE2 3.88Å; R57-E65 PolarHBondContact NE-OE2 3.37Å; R57-E65 IonicContact NH2-OE2 2.66Å; R57-E65 PolarHBondContact NH2-OE2 2.77Å; R57-E65 PolarHBondContact O-N 3.14Å; R57-V67 HydrophobicContact CB-CG2 3.71Å; R57-V67 HydrophobicContact CG-CG2 3.54Å; R57-E108 PolarHBondContact NH1-O 3.48Å; R57-D109 IonicContact NH1-OD1 2.83Å; R57-D109 PolarHBondContact NH1-OD1 2.89Å; R57-D109 VanDerWaalsContact NH1-OD1 3.08Å; R57-A111 HydrophobicContact CB-CB 3.82Å; R57-A111 HydrophobicContact CG-CB 4.15Å; R57-M112 CarbonylContact C-O 3.53Å; R57-M112 WeakPolarHBondContact CA-O 3.41Å; R57-Y113 HydrophobicContact CB-CD1 3.99Å; R57-Y113 HydrophobicContact CB-CD2 4.39Å; R57-Y113 HydrophobicContact CB-CE1 3.87Å; R57-Y113 HydrophobicContact CB-CE2 4.25Å; R57-Y113 HydrophobicContact CB-CG 4.24Å
58	Q	97	Very high	96	Very high	65 Å²	65	57.6 Å²	57.6	30%	0.304	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	113.6	169.2	-170.1	174.1	39.3	0	0	108.9	R63 L64 A111 M112 Y114	Q58-R63 WeakPolarHBondContact CA-O 3.17Å; Q58-L64 HydrophobicContact CB-CD2 3.79Å; Q58-L64 HydrophobicContact CG-CD2 4Å; Q58-A111 WeakPolarHBondContact O-CB 3.26Å; Q58-M112 HydrophobicContact CB-CB 4.47Å; Q58-M112 PolarHBondContact N-O 3.21Å; Q58-M112 PolarHBondContact O-N 3.01Å; Q58-Y114 HydrophobicContact CB-CE2 4.01Å
59	T	93.3	Very high	96.1	Very high	14 Å²	14	59.3 Å²	59.3	9%	0.086	30%	0.302	C	S	.	.			trans	-71.1	163.3	176.7	56.4	0	0	0	0	111	D61 K62 R63	T59-D61 WeakPolarHBondContact CB-OD1 3.38Å; T59-D61 PolarHBondContact O-N 2.81Å; T59-D61 PolarHBondContact OG1-OD1 2.49Å; T59-K62 WeakPolarHBondContact O-CA 3.48Å; T59-K62 PolarHBondContact O-N 3.18Å; T59-R63 PolarHBondContact N-O 2.94Å; T59-R63 WeakPolarHBondContact OG1-CB 3.42Å; T59-R63 PolarHBondContact OG1-N 3.18Å; T59-R63 PolarHBondContact OG1-O 3.2Å
60	P	91.2	Very high	96.2	Very high	113 Å²	113	57 Å²	57	73%	0.734	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-29.1	178.8	-27.1	36.1	0	0	0	114.6	K62	P60-K62 PolarHBondContact O-N 3.33Å
61	D	92.1	Very high	96.3	Very high	111 Å²	111	54.8 Å²	54.8	59%	0.594	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	9.9	171.5	62.7	-50.6	0	0	0	113.6	T59 R63	T59-D61 WeakPolarHBondContact CB-OD1 3.38Å; T59-D61 PolarHBondContact O-N 2.81Å; T59-D61 PolarHBondContact OG1-OD1 2.49Å; D61-R63 VanDerWaalsContact C-N 3.26Å; D61-R63 PolarHBondContact O-N 2.98Å
62	K	88.2	Confident	96.3	Very high	163 Å²	163	52.6 Å²	52.6	71%	0.709	27%	0.269	S	S	*	.			trans	66.7	14.5	178	-56	179.7	177.1	178.7	0	115.2	T59 P60	T59-K62 WeakPolarHBondContact O-CA 3.48Å; T59-K62 PolarHBondContact O-N 3.18Å; P60-K62 PolarHBondContact O-N 3.33Å
63	R	93.3	Very high	96	Very high	143 Å²	143	54.3 Å²	54.3	54%	0.54	29%	0.287	S	S	.	.			trans	-73.2	132.1	172.4	-175.7	170.6	78	-164.1	2.4	110	Q58 T59 D61 E65	Q58-R63 WeakPolarHBondContact CA-O 3.17Å; T59-R63 PolarHBondContact N-O 2.94Å; T59-R63 WeakPolarHBondContact OG1-CB 3.42Å; T59-R63 PolarHBondContact OG1-N 3.18Å; T59-R63 PolarHBondContact OG1-O 3.2Å; D61-R63 VanDerWaalsContact C-N 3.26Å; D61-R63 PolarHBondContact O-N 2.98Å; R63-E65 HydrophobicContact CG-CG 4.27Å; R63-E65 IonicContact CZ-OE1 3.03Å; R63-E65 IonicContact NE-OE1 2.77Å; R63-E65 PolarHBondContact NE-OE1 3.42Å; R63-E65 IonicContact NH2-OE1 2.6Å; R63-E65 PolarHBondContact NH2-OE1 2.8Å
64	L	96.3	Very high	95.9	Very high	114 Å²	114	55.8 Å²	55.8	60%	0.597	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	133.8	172.8	-68.2	172.1	0	0	0	110.1	V56 R57 Q58	V56-L64 HydrophobicContact CG1-CB 4.39Å; V56-L64 HydrophobicContact CG1-CD2 4.06Å; R57-L64 WeakPolarHBondContact O-CA 3.29Å; Q58-L64 HydrophobicContact CB-CD2 3.79Å; Q58-L64 HydrophobicContact CG-CD2 4Å
65	E	96.2	Very high	95.7	Very high	35 Å²	35	60.9 Å²	60.9	16%	0.164	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	133.6	179.1	-62.4	-177.2	164.8	0	0	111	V56 R57 R63	V56-E65 CarbonylContact C-O 3.45Å; V56-E65 WeakPolarHBondContact CA-O 3.49Å; R57-E65 HydrophobicContact CG-CB 4.02Å; R57-E65 IonicContact CZ-OE2 3.26Å; R57-E65 VanDerWaalsContact CZ-OE2 3.22Å; R57-E65 PolarHBondContact N-O 2.8Å; R57-E65 IonicContact NE-OE2 3.88Å; R57-E65 PolarHBondContact NE-OE2 3.37Å; R57-E65 IonicContact NH2-OE2 2.66Å; R57-E65 PolarHBondContact NH2-OE2 2.77Å; R57-E65 PolarHBondContact O-N 3.14Å; R63-E65 HydrophobicContact CG-CG 4.27Å; R63-E65 IonicContact CZ-OE1 3.03Å; R63-E65 IonicContact NE-OE1 2.77Å; R63-E65 PolarHBondContact NE-OE1 3.42Å; R63-E65 IonicContact NH2-OE1 2.6Å; R63-E65 PolarHBondContact NH2-OE1 2.8Å
66	W	97	Very high	95.6	Very high	149 Å²	149	67.5 Å²	67.5	56%	0.564	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.6	131.4	166.7	-66.9	104.8	0	0	0	109.6	V56 P80 A116	V56-W66 HydrophobicContact CG2-CD2 4.16Å; V56-W66 HydrophobicContact CG2-CE3 3.43Å; V56-W66 VanDerWaalsContact CG2-CE3 3.43Å; V56-W66 HydrophobicContact CG2-CH2 3.95Å; V56-W66 HydrophobicContact CG2-CZ3 3.26Å; W66-P80 WeakPolarHBondContact O-CG 3.27Å; W66-A116 HydrophobicContact CZ3-CB 4.42Å
67	V	98.2	Very high	95.6	Very high	1 Å²	1	69.3 Å²	69.3	1%	0.006	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	-46.7	-178.3	177.4	0	0	0	0	111	W55 R57 P80 V83 F87 L100 Y113	W55-V67 HydrophobicContact CB-CB 4.12Å; W55-V67 WeakPolarHBondContact O-CB 3.31Å; W55-V67 PolarHBondContact O-N 3.09Å; R57-V67 HydrophobicContact CB-CG2 3.71Å; R57-V67 HydrophobicContact CG-CG2 3.54Å; V67-P80 WeakPolarHBondContact O-CD 3.32Å; V67-V83 HydrophobicContact CG1-CG2 4.4Å; V67-V83 VanDerWaalsContact O-CG2 3.31Å; V67-V83 WeakPolarHBondContact O-CG2 3.33Å; V67-F87 HydrophobicContact CG1-CD2 3.53Å; V67-F87 HydrophobicContact CG1-CE2 3.9Å; V67-L100 HydrophobicContact CG1-CD1 4.49Å; V67-L100 HydrophobicContact CG1-CD2 3.96Å; V67-Y113 HydrophobicContact CG1-CE1 4.14Å; V67-Y113 HydrophobicContact CG2-CD1 4.35Å; V67-Y113 HydrophobicContact CG2-CE1 3.86Å
68	A	98.6	Very high	95.7	Very high	1 Å²	1	74.2 Å²	74.2	1%	0.008	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	147.3	178	0	0	0	0	0	109.7	S54 W55 Y78 Y79 I89 L100	S54-A68 CarbonylContact C-O 3.48Å; S54-A68 WeakPolarHBondContact CA-O 3.33Å; W55-A68 PolarHBondContact N-O 3.35Å; W55-A68 PolarHBondContact O-N 2.96Å; A68-Y78 WeakPolarHBondContact CA-O 3.35Å; A68-Y79 HydrophobicContact CB-CD1 3.67Å; A68-Y79 HydrophobicContact CB-CE1 3.64Å; A68-I89 HydrophobicContact CB-CB 3.74Å; A68-I89 HydrophobicContact CB-CD1 3.99Å; A68-I89 HydrophobicContact CB-CG1 4.42Å; A68-I89 HydrophobicContact CB-CG2 3.95Å; A68-L100 HydrophobicContact CB-CD1 4.1Å
69	T	98.5	Very high	95.8	Very high	38 Å²	38	73.2 Å²	73.2	23%	0.233	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	143.3	177	-61.9	0	0	0	0	109.6	S54 T77 Y78	S54-T69 WeakPolarHBondContact OG-CB 2.96Å; S54-T69 VanDerWaalsContact OG-CG2 3.26Å; S54-T69 WeakPolarHBondContact OG-CG2 3.44Å; S54-T69 PolarHBondContact OG-OG1 2.79Å; T69-T77 CarbonylContact O-C 3.58Å; T69-T77 WeakPolarHBondContact O-CA 3.38Å; T69-Y78 PolarHBondContact N-O 2.87Å; T69-Y78 PolarHBondContact O-N 2.98Å
70	I	98.6	Very high	96	Very high	7 Å²	7	73.7 Å²	73.7	4%	0.036	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	135.5	176.2	-171.1	161.2	0	0	0	110.6	G52 M53 Y76 T77 I89 R91 L98	G52-I70 CarbonylContact C-O 3.48Å; G52-I70 VanDerWaalsContact CA-O 3.27Å; G52-I70 WeakPolarHBondContact CA-O 3.48Å; M53-I70 HydrophobicContact CB-CG2 4.35Å; M53-I70 PolarHBondContact N-O 3.14Å; M53-I70 WeakPolarHBondContact O-CG2 3.01Å; M53-I70 PolarHBondContact O-N 2.85Å; I70-Y76 WeakPolarHBondContact CA-O 3.3Å; I70-T77 HydrophobicContact CB-CG2 4.13Å; I70-T77 HydrophobicContact CD1-CG2 3.91Å; I70-T77 HydrophobicContact CG1-CG2 3.81Å; I70-I89 HydrophobicContact CB-CD1 4.02Å; I70-I89 HydrophobicContact CB-CG1 4.24Å; I70-I89 HydrophobicContact CB-CG2 3.97Å; I70-I89 HydrophobicContact CG2-CD1 3.67Å; I70-I89 HydrophobicContact CG2-CG1 3.98Å; I70-R91 HydrophobicContact CD1-CB 4.42Å; I70-R91 HydrophobicContact CD1-CG 3.85Å; I70-R91 HydrophobicContact CG1-CG 4.47Å; I70-L98 HydrophobicContact CG2-CD1 3.64Å
71	S	98	Very high	96.2	Very high	29 Å²	29	75 Å²	75	20%	0.203	39%	0.392	C	S	.	.			trans	-67.3	163.4	176.9	66.1	0	0	0	0	112.5	G73 G74 S75 Y76 R91	S71-G73 VanDerWaalsContact C-N 3.29Å; S71-G73 PolarHBondContact O-N 2.89Å; S71-G74 PolarHBondContact O-N 2.96Å; S71-G74 PolarHBondContact OG-N 2.88Å; S71-S75 PolarHBondContact OG-N 2.01Å; S71-S75 PolarHBondContact OG-OG 3.22Å; S71-Y76 PolarHBondContact N-O 3.26Å; S71-Y76 PolarHBondContact OG-N 2.78Å; S71-Y76 VanDerWaalsContact OG-N 3.16Å; S71-R91 WeakPolarHBondContact O-CD 3.4Å; S71-R91 PolarHBondContact O-NH1 2.87Å
72	S	96.8	Very high	96.4	Very high	51 Å²	51	72.7 Å²	72.7	36%	0.357	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-45.7	175.3	49.1	0	0	0	0	113.2	S49 Y51 G74 R91 N93	S49-S72 VanDerWaalsContact O-CB 3.28Å; S49-S72 WeakPolarHBondContact O-CB 3.33Å; Y51-S72 WeakPolarHBondContact O-CA 3.33Å; S72-G74 VanDerWaalsContact C-N 3.34Å; S72-R91 PolarHBondContact O-NE 3.35Å; S72-R91 PolarHBondContact O-NH1 2.75Å; S72-N93 PolarHBondContact O-ND2 2.85Å
73	G	92.6	Very high	96.8	Very high	63 Å²	63	65 Å²	65	65%	0.649	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-4.9	177.3	0	0	0	0	0	115.1	S71 S75	S71-G73 VanDerWaalsContact C-N 3.29Å; S71-G73 PolarHBondContact O-N 2.89Å; G73-S75 PolarHBondContact O-N 2.83Å
74	G	94.9	Very high	97	Very high	31 Å²	31	64.7 Å²	64.7	32%	0.32	35%	0.354	S	S	.	.	S	Bend	trans	72.9	0.2	-177.6	0	0	0	0	0	115.4	S71 S72	S71-G74 PolarHBondContact O-N 2.96Å; S71-G74 PolarHBondContact OG-N 2.88Å; S72-G74 VanDerWaalsContact C-N 3.34Å
75	S	94.5	Very high	97	Very high	116 Å²	116	63 Å²	63	81%	0.811	36%	0.363	S	S	*	.			trans	-75.5	-22.8	-175.9	56.3	0	0	0	0	114.2	S71 G73	S71-S75 PolarHBondContact OG-N 2.01Å; S71-S75 PolarHBondContact OG-OG 3.22Å; G73-S75 PolarHBondContact O-N 2.83Å
76	Y	97.7	Very high	97.1	Very high	141 Å²	141	62.7 Å²	62.7	55%	0.553	36%	0.361	S	S	*	.			trans	-123.1	131.6	-178.5	177	-95.2	0	0	0	109.7	I70 S71	I70-Y76 WeakPolarHBondContact CA-O 3.3Å; S71-Y76 PolarHBondContact N-O 3.26Å; S71-Y76 PolarHBondContact OG-N 2.78Å; S71-Y76 VanDerWaalsContact OG-N 3.16Å
77	T	98.4	Very high	97.1	Very high	58 Å²	58	55.8 Å²	55.8	36%	0.356	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	145.7	172.7	56.5	0	0	0	0	110.5	T69 I70 I89	T69-T77 CarbonylContact O-C 3.58Å; T69-T77 WeakPolarHBondContact O-CA 3.38Å; I70-T77 HydrophobicContact CB-CG2 4.13Å; I70-T77 HydrophobicContact CD1-CG2 3.91Å; I70-T77 HydrophobicContact CG1-CG2 3.81Å; T77-I89 HydrophobicContact CG2-CG2 3.84Å
78	Y	98.2	Very high	97.2	Very high	116 Å²	116	59.4 Å²	59.4	46%	0.455	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	140.5	175.5	173.8	-97.5	0	0	0	110.2	A68 T69	A68-Y78 WeakPolarHBondContact CA-O 3.35Å; T69-Y78 PolarHBondContact N-O 2.87Å; T69-Y78 PolarHBondContact O-N 2.98Å
79	Y	98.5	Very high	97.2	Very high	44 Å²	44	59.7 Å²	59.7	17%	0.173	36%	0.358	C	S	.	.			trans	-138.9	134.4	175.6	-54.9	-87.1	0	0	0	109	A68 F87 T88 I89	A68-Y79 HydrophobicContact CB-CD1 3.67Å; A68-Y79 HydrophobicContact CB-CE1 3.64Å; Y79-F87 WeakPolarHBondContact CE1-O 3.48Å; Y79-T88 WeakPolarHBondContact OH-CA 3.45Å; Y79-I89 HydrophobicContact CE1-CB 4.38Å; Y79-I89 HydrophobicContact CE1-CG2 4Å; Y79-I89 WeakPolarHBondContact OH-CG2 3.42Å; Y79-I89 PolarHBondContact OH-N 2.82Å
80	P	97.5	Very high	97.1	Very high	23 Å²	23	60.3 Å²	60.3	15%	0.149	36%	0.364	C	S	.	.			trans	-70.8	157.4	168.5	33.8	-36.1	0	0	0	110.7	W66 V67 S82 V83 K84	W66-P80 WeakPolarHBondContact O-CG 3.27Å; V67-P80 WeakPolarHBondContact O-CD 3.32Å; P80-S82 PolarHBondContact O-N 2.82Å; P80-S82 VanDerWaalsContact O-N 3.09Å; P80-V83 HydrophobicContact CG-CG2 3.93Å; P80-V83 PolarHBondContact O-N 2.85Å; P80-V83 VanDerWaalsContact O-N 3.14Å; P80-K84 WeakPolarHBondContact O-CB 3.49Å; P80-K84 PolarHBondContact O-N 2.6Å
81	D	96.9	Very high	97.1	Very high	141 Å²	141	61.7 Å²	61.7	75%	0.754	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-26	-176.8	-66.2	-30.5	0	0	0	113.5	V83	D81-V83 PolarHBondContact O-N 2.88Å
82	S	95.1	Very high	97.1	Very high	62 Å²	62	62.2 Å²	62.2	43%	0.434	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-28.8	178.6	56.2	0	0	0	0	113.9	P80 R86	P80-S82 PolarHBondContact O-N 2.82Å; P80-S82 VanDerWaalsContact O-N 3.09Å; S82-R86 PolarHBondContact O-NH2 2.88Å
83	V	97.3	Very high	97.1	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.006	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.1	-7.8	-175.9	-52.9	0	0	0	0	113.7	V67 P80 D81 G85 R86 F87	V67-V83 HydrophobicContact CG1-CG2 4.4Å; V67-V83 VanDerWaalsContact O-CG2 3.31Å; V67-V83 WeakPolarHBondContact O-CG2 3.33Å; P80-V83 HydrophobicContact CG-CG2 3.93Å; P80-V83 PolarHBondContact O-N 2.85Å; P80-V83 VanDerWaalsContact O-N 3.14Å; D81-V83 PolarHBondContact O-N 2.88Å; V83-G85 PolarHBondContact O-N 2.77Å; V83-R86 WeakPolarHBondContact O-CB 3.42Å; V83-R86 PolarHBondContact O-N 3.32Å; V83-F87 HydrophobicContact CB-CB 4.25Å; V83-F87 HydrophobicContact CB-CD1 4.5Å; V83-F87 HydrophobicContact CB-CD2 3.51Å; V83-F87 HydrophobicContact CB-CE2 3.83Å; V83-F87 HydrophobicContact CB-CG 3.86Å; V83-F87 HydrophobicContact CB-CZ 4.43Å; V83-F87 HydrophobicContact CG1-CD2 3.66Å; V83-F87 HydrophobicContact CG1-CE2 3.45Å; V83-F87 VanDerWaalsContact CG1-CE2 3.45Å; V83-F87 HydrophobicContact CG1-CG 4.42Å; V83-F87 HydrophobicContact CG1-CZ 4.07Å; V83-F87 HydrophobicContact CG2-CB 4.35Å; V83-F87 HydrophobicContact CG2-CD2 3.97Å; V83-F87 HydrophobicContact CG2-CG 4.39Å; V83-F87 PolarHBondContact O-N 2.95Å; V83-F87 VanDerWaalsContact O-N 3.09Å
84	K	96.9	Very high	97.2	Very high	138 Å²	138	64.3 Å²	64.3	60%	0.6	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	130.9	-179.6	-169.2	172.4	-176.7	177.1	0	111	P80 R86	P80-K84 WeakPolarHBondContact O-CB 3.49Å; P80-K84 PolarHBondContact O-N 2.6Å; K84-R86 PolarHBondContact O-N 3.02Å
85	G	97.2	Very high	97.3	Very high	77 Å²	77	69.3 Å²	69.3	79%	0.794	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	-8.1	-177.4	0	0	0	0	0	115.4	V83	V83-G85 PolarHBondContact O-N 2.77Å
86	R	97.5	Very high	97.5	Very high	30 Å²	30	66.7 Å²	66.7	11%	0.113	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-37.8	175.8	-60.8	-171.7	-57.7	109.8	-1.4	112.1	S82 V83 K84 S103 S104 D109	S82-R86 PolarHBondContact O-NH2 2.88Å; V83-R86 WeakPolarHBondContact O-CB 3.42Å; V83-R86 PolarHBondContact O-N 3.32Å; K84-R86 PolarHBondContact O-N 3.02Å; R86-S103 WeakPolarHBondContact CB-O 3.32Å; R86-S103 PolarHBondContact O-N 3.5Å; R86-S103 PolarHBondContact O-OG 3.39Å; R86-S104 PolarHBondContact NH1-O 2.97Å; R86-S104 VanDerWaalsContact NH1-O 3.1Å; R86-D109 IonicContact CZ-OD1 3.42Å; R86-D109 IonicContact CZ-OD2 3Å; R86-D109 IonicContact NH1-OD1 2.75Å; R86-D109 IonicContact NH1-OD2 3.08Å; R86-D109 PolarHBondContact NH1-OD2 3.34Å; R86-D109 IonicContact NH2-OD1 3.22Å; R86-D109 PolarHBondContact NH2-OD1 3.28Å; R86-D109 IonicContact NH2-OD2 3.8Å; R86-D109 PolarHBondContact NH2-OD2 2.92Å
87	F	98.2	Very high	97.5	Very high	3 Å²	3	60.8 Å²	60.8	1%	0.013	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	151.2	-179.2	-62.4	0.2	0	0	0	111.3	V67 Y79 V83 L100 Q101 M102 L105 D109	V67-F87 HydrophobicContact CG1-CD2 3.53Å; V67-F87 HydrophobicContact CG1-CE2 3.9Å; Y79-F87 WeakPolarHBondContact CE1-O 3.48Å; V83-F87 HydrophobicContact CB-CB 4.25Å; V83-F87 HydrophobicContact CB-CD1 4.5Å; V83-F87 HydrophobicContact CB-CD2 3.51Å; V83-F87 HydrophobicContact CB-CE2 3.83Å; V83-F87 HydrophobicContact CB-CG 3.86Å; V83-F87 HydrophobicContact CB-CZ 4.43Å; V83-F87 HydrophobicContact CG1-CD2 3.66Å; V83-F87 HydrophobicContact CG1-CE2 3.45Å; V83-F87 VanDerWaalsContact CG1-CE2 3.45Å; V83-F87 HydrophobicContact CG1-CG 4.42Å; V83-F87 HydrophobicContact CG1-CZ 4.07Å; V83-F87 HydrophobicContact CG2-CB 4.35Å; V83-F87 HydrophobicContact CG2-CD2 3.97Å; V83-F87 HydrophobicContact CG2-CG 4.39Å; V83-F87 PolarHBondContact O-N 2.95Å; V83-F87 VanDerWaalsContact O-N 3.09Å; F87-L100 HydrophobicContact CB-CD1 4.18Å; F87-L100 HydrophobicContact CD2-CD2 4.41Å; F87-Q101 CarbonylContact C-O 3.53Å; F87-Q101 VanDerWaalsContact CA-O 3.27Å; F87-Q101 WeakPolarHBondContact CA-O 3.21Å; F87-M102 HydrophobicContact CD1-CB 3.68Å; F87-M102 HydrophobicContact CD1-CG 3.84Å; F87-M102 HydrophobicContact CD2-CE 4.16Å; F87-M102 HydrophobicContact CD2-CG 4.23Å; F87-M102 HydrophobicContact CE1-CB 3.7Å; F87-M102 HydrophobicContact CE1-CE 3.84Å; F87-M102 HydrophobicContact CE1-CG 3.96Å; F87-M102 HydrophobicContact CE2-CE 3.39Å; F87-M102 HydrophobicContact CE2-CG 4.32Å; F87-M102 HydrophobicContact CG-CB 4.36Å; F87-M102 HydrophobicContact CG-CG 4.03Å; F87-M102 HydrophobicContact CZ-CB 4.35Å; F87-M102 HydrophobicContact CZ-CE 3.21Å; F87-M102 HydrophobicContact CZ-CG 4.21Å; F87-L105 HydrophobicContact CE1-CD2 3.91Å; F87-L105 HydrophobicContact CZ-CD2 4.04Å; F87-D109 HydrophobicContact CZ-CB 4.05Å
88	T	98.3	Very high	97.5	Very high	78 Å²	78	58 Å²	58	48%	0.479	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	117.1	178.3	-58.2	0	0	0	0	109.5	Y79 Q101	Y79-T88 WeakPolarHBondContact OH-CA 3.45Å; T88-Q101 PolarHBondContact N-O 2.97Å; T88-Q101 PolarHBondContact O-N 3.32Å
89	I	98.6	Very high	97.5	Very high	7 Å²	7	54.6 Å²	54.6	4%	0.036	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	139	172.8	-167.9	169	0	0	0	109.5	A68 I70 T77 Y79 L98 Y99 L100	A68-I89 HydrophobicContact CB-CB 3.74Å; A68-I89 HydrophobicContact CB-CD1 3.99Å; A68-I89 HydrophobicContact CB-CG1 4.42Å; A68-I89 HydrophobicContact CB-CG2 3.95Å; I70-I89 HydrophobicContact CB-CD1 4.02Å; I70-I89 HydrophobicContact CB-CG1 4.24Å; I70-I89 HydrophobicContact CB-CG2 3.97Å; I70-I89 HydrophobicContact CG2-CD1 3.67Å; I70-I89 HydrophobicContact CG2-CG1 3.98Å; T77-I89 HydrophobicContact CG2-CG2 3.84Å; Y79-I89 HydrophobicContact CE1-CB 4.38Å; Y79-I89 HydrophobicContact CE1-CG2 4Å; Y79-I89 WeakPolarHBondContact OH-CG2 3.42Å; Y79-I89 PolarHBondContact OH-N 2.82Å; I89-L98 HydrophobicContact CD1-CD1 3.98Å; I89-L98 HydrophobicContact CD1-CD2 4.34Å; I89-L98 HydrophobicContact CD1-CG 4.4Å; I89-L98 HydrophobicContact CG1-CD1 3.99Å; I89-L98 HydrophobicContact CG1-CG 4.43Å; I89-Y99 WeakPolarHBondContact CA-O 3.3Å; I89-L100 HydrophobicContact CB-CD1 4.4Å
90	S	98.3	Very high	97.5	Very high	51 Å²	51	52.5 Å²	52.5	36%	0.357	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	161	172	54.7	0	0	0	0	109.9	Y99	S90-Y99 PolarHBondContact N-O 3.43Å; S90-Y99 PolarHBondContact O-N 2.94Å; S90-Y99 WeakPolarHBondContact OG-CB 3.48Å
91	R	97.9	Very high	97.6	Very high	35 Å²	35	55.3 Å²	55.3	13%	0.132	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	147.6	-177.4	65.5	-177.9	-68.1	153.1	4.1	110.8	F48 Y51 I70 S71 S72 N93 T97 L98	F48-R91 HydrophobicContact CE1-CB 4.3Å; F48-R91 HydrophobicContact CZ-CB 4.26Å; F48-R91 PolarHBondContact O-NH2 3.45Å; Y51-R91 PolarHBondContact O-NH1 3.06Å; Y51-R91 PolarHBondContact O-NH2 2.94Å; I70-R91 HydrophobicContact CD1-CB 4.42Å; I70-R91 HydrophobicContact CD1-CG 3.85Å; I70-R91 HydrophobicContact CG1-CG 4.47Å; S71-R91 WeakPolarHBondContact O-CD 3.4Å; S71-R91 PolarHBondContact O-NH1 2.87Å; S72-R91 PolarHBondContact O-NE 3.35Å; S72-R91 PolarHBondContact O-NH1 2.75Å; R91-N93 PolarHBondContact NE-OD1 3.05Å; R91-N93 PolarHBondContact NH2-OD1 3.09Å; R91-T97 WeakPolarHBondContact CA-O 3.38Å; R91-L98 HydrophobicContact CB-CD1 4.06Å
92	D	97.5	Very high	97.6	Very high	41 Å²	41	48.7 Å²	48.7	22%	0.219	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	105.8	171.6	-175.3	-24.8	0	0	0	108.6	A94 K95 N96 T97 Y99	D92-A94 VanDerWaalsContact C-N 3.32Å; D92-A94 WeakPolarHBondContact OD1-CB 3.48Å; D92-A94 PolarHBondContact OD1-N 3.27Å; D92-K95 HydrophobicContact CB-CB 4.25Å; D92-K95 PolarHBondContact O-N 2.87Å; D92-K95 PolarHBondContact OD1-N 3.18Å; D92-K95 WeakPolarHBondContact OD2-CD 3.4Å; D92-K95 VanDerWaalsContact OD2-CE 3.29Å; D92-K95 WeakPolarHBondContact OD2-CE 3.37Å; D92-K95 WeakPolarHBondContact OD2-CG 3.12Å; D92-K95 IonicContact OD2-NZ 3.4Å; D92-K95 PolarHBondContact OD2-NZ 2.82Å; D92-N96 PolarHBondContact O-N 3.02Å; D92-T97 PolarHBondContact N-O 2.91Å; D92-T97 PolarHBondContact O-N 3.03Å; D92-Y99 HydrophobicContact CB-CE2 4.05Å
93	N	96.4	Very high	97.7	Very high	62 Å²	62	47.8 Å²	47.8	33%	0.332	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-23	-178.6	-74.9	-13.5	0	0	0	113.2	F48 S72 R91 N96	F48-N93 WeakPolarHBondContact CD1-OD1 3.27Å; F48-N93 VanDerWaalsContact CE1-OD1 3.3Å; F48-N93 WeakPolarHBondContact CE1-OD1 3.21Å; S72-N93 PolarHBondContact O-ND2 2.85Å; R91-N93 PolarHBondContact NE-OD1 3.05Å; R91-N93 PolarHBondContact NH2-OD1 3.09Å; N93-N96 PolarHBondContact O-OD1 2.84Å
94	A	96.3	Very high	97.7	Very high	96 Å²	96	51 Å²	51	79%	0.793	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-31.1	176.7	0	0	0	0	0	111.1	D92	D92-A94 VanDerWaalsContact C-N 3.32Å; D92-A94 WeakPolarHBondContact OD1-CB 3.48Å; D92-A94 PolarHBondContact OD1-N 3.27Å
95	K	97	Very high	97.7	Very high	135 Å²	135	45.1 Å²	45.1	59%	0.587	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	1	178	-61	-178.8	-167.4	155.6	0	114.3	D92 T97	D92-K95 HydrophobicContact CB-CB 4.25Å; D92-K95 PolarHBondContact O-N 2.87Å; D92-K95 PolarHBondContact OD1-N 3.18Å; D92-K95 WeakPolarHBondContact OD2-CD 3.4Å; D92-K95 VanDerWaalsContact OD2-CE 3.29Å; D92-K95 WeakPolarHBondContact OD2-CE 3.37Å; D92-K95 WeakPolarHBondContact OD2-CG 3.12Å; D92-K95 IonicContact OD2-NZ 3.4Å; D92-K95 PolarHBondContact OD2-NZ 2.82Å; K95-T97 PolarHBondContact O-N 2.81Å; K95-T97 PolarHBondContact O-OG1 2.82Å
96	N	97.2	Very high	97.6	Very high	61 Å²	61	46.6 Å²	46.6	33%	0.326	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.1	43.1	-172.1	-58.4	-35.9	0	0	0	112.6	A43 F48 D92 N93	A43-N96 PolarHBondContact N-O 3.45Å; A43-N96 VanDerWaalsContact O-CB 3.27Å; A43-N96 WeakPolarHBondContact O-CB 3.46Å; F48-N96 HydrophobicContact CB-CB 3.93Å; F48-N96 WeakPolarHBondContact CB-OD1 3.34Å; F48-N96 HydrophobicContact CD1-CB 4.37Å; F48-N96 HydrophobicContact CG-CB 4.11Å; D92-N96 PolarHBondContact O-N 3.02Å; N93-N96 PolarHBondContact O-OD1 2.84Å
97	T	98.3	Very high	97.4	Very high	17 Å²	17	48.9 Å²	48.9	10%	0.104	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	130.7	-173	-54	0	0	0	0	111.4	C41 R91 D92 K95 Y99	C41-T97 CarbonylContact O-C 3.48Å; C41-T97 WeakPolarHBondContact O-CA 3.31Å; R91-T97 WeakPolarHBondContact CA-O 3.38Å; D92-T97 PolarHBondContact N-O 2.91Å; D92-T97 PolarHBondContact O-N 3.03Å; K95-T97 PolarHBondContact O-N 2.81Å; K95-T97 PolarHBondContact O-OG1 2.82Å; T97-Y99 HydrophobicContact CG2-CD1 4.08Å; T97-Y99 HydrophobicContact CG2-CE1 3.43Å; T97-Y99 VanDerWaalsContact CG2-CE1 3.43Å; T97-Y99 HydrophobicContact CG2-CE2 3.95Å; T97-Y99 WeakPolarHBondContact CG2-OH 3.5Å
98	L	98.6	Very high	97.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	139.4	170.7	-169.9	71.9	0	0	0	109.7	S40 C41 F48 M53 W55 I70 I89 R91 C115	S40-L98 CarbonylContact C-O 3.56Å; S40-L98 VanDerWaalsContact CA-O 3.32Å; S40-L98 WeakPolarHBondContact CA-O 3.41Å; C41-L98 HydrophobicContact CB-CB 4.19Å; C41-L98 PolarHBondContact N-O 2.98Å; C41-L98 PolarHBondContact O-N 2.89Å; F48-L98 HydrophobicContact CE2-CB 4.44Å; F48-L98 HydrophobicContact CZ-CB 4.29Å; M53-L98 HydrophobicContact CB-CD1 3.78Å; M53-L98 HydrophobicContact CB-CD2 3.87Å; M53-L98 HydrophobicContact CB-CG 4.38Å; W55-L98 HydrophobicContact CD2-CD2 4.49Å; W55-L98 HydrophobicContact CG-CD2 4.35Å; W55-L98 VanDerWaalsContact NE1-CD2 3.35Å; I70-L98 HydrophobicContact CG2-CD1 3.64Å; I89-L98 HydrophobicContact CD1-CD1 3.98Å; I89-L98 HydrophobicContact CD1-CD2 4.34Å; I89-L98 HydrophobicContact CD1-CG 4.4Å; I89-L98 HydrophobicContact CG1-CD1 3.99Å; I89-L98 HydrophobicContact CG1-CG 4.43Å; R91-L98 HydrophobicContact CB-CD1 4.06Å; L98-C115 HydrophobicContact CD2-CB 4.03Å
99	Y	98.5	Very high	97	Very high	44 Å²	44	51.1 Å²	51.1	17%	0.173	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	145.6	178.6	-57.8	-73.2	0	0	0	111.2	K38 L39 I89 S90 D92 T97	K38-Y99 VanDerWaalsContact CE-CD1 3.46Å; L39-Y99 VanDerWaalsContact O-CA 3.3Å; L39-Y99 WeakPolarHBondContact O-CA 3.3Å; I89-Y99 WeakPolarHBondContact CA-O 3.3Å; S90-Y99 PolarHBondContact N-O 3.43Å; S90-Y99 PolarHBondContact O-N 2.94Å; S90-Y99 WeakPolarHBondContact OG-CB 3.48Å; D92-Y99 HydrophobicContact CB-CE2 4.05Å; T97-Y99 HydrophobicContact CG2-CD1 4.08Å; T97-Y99 HydrophobicContact CG2-CE1 3.43Å; T97-Y99 VanDerWaalsContact CG2-CE1 3.43Å; T97-Y99 HydrophobicContact CG2-CE2 3.95Å; T97-Y99 WeakPolarHBondContact CG2-OH 3.5Å
100	L	98.7	Very high	96.8	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	109.4	167.5	-172.4	67.2	0	0	0	108.8	K38 L39 W55 V67 A68 F87 I89 M102 Y113	K38-L100 WeakPolarHBondContact CA-O 3.23Å; L39-L100 HydrophobicContact CB-CB 4.19Å; L39-L100 HydrophobicContact CD1-CD2 4.22Å; L39-L100 PolarHBondContact N-O 3.18Å; L39-L100 PolarHBondContact O-N 2.96Å; W55-L100 HydrophobicContact CB-CD2 4.23Å; W55-L100 HydrophobicContact CD2-CB 4.2Å; W55-L100 HydrophobicContact CD2-CD2 4.36Å; W55-L100 HydrophobicContact CG-CB 4.13Å; W55-L100 HydrophobicContact CG-CD1 4.49Å; W55-L100 HydrophobicContact CG-CD2 4.05Å; W55-L100 HydrophobicContact CG-CG 4.46Å; W55-L100 HydrophobicContact CZ2-CB 4.45Å; V67-L100 HydrophobicContact CG1-CD1 4.49Å; V67-L100 HydrophobicContact CG1-CD2 3.96Å; A68-L100 HydrophobicContact CB-CD1 4.1Å; F87-L100 HydrophobicContact CB-CD1 4.18Å; F87-L100 HydrophobicContact CD2-CD2 4.41Å; I89-L100 HydrophobicContact CB-CD1 4.4Å; L100-M102 HydrophobicContact CD2-CE 4.49Å; L100-M102 HydrophobicContact CD2-CG 3.97Å; L100-M102 HydrophobicContact CD2-SD 4.01Å; L100-M102 HydrophobicContact CG-CG 3.88Å; L100-M102 HydrophobicContact CG-SD 4.47Å; L100-Y113 HydrophobicContact CD2-CD1 4.05Å; L100-Y113 HydrophobicContact CD2-CE1 4.03Å
101	Q	98.2	Very high	96.7	Very high	82 Å²	82	54.2 Å²	54.2	38%	0.383	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	125.7	169.8	-172.8	65.4	39.6	0	0	108.5	F87 T88	F87-Q101 CarbonylContact C-O 3.53Å; F87-Q101 VanDerWaalsContact CA-O 3.27Å; F87-Q101 WeakPolarHBondContact CA-O 3.21Å; T88-Q101 PolarHBondContact N-O 2.97Å; T88-Q101 PolarHBondContact O-N 3.32Å
102	M	97.9	Very high	96.6	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.015	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	129.4	-179.1	-55.1	166.9	84.4	0	0	108.7	S36 L37 L39 F87 L100 L105 Y113	S36-M102 CarbonylContact C-O 3.5Å; S36-M102 WeakPolarHBondContact CA-O 3.4Å; S36-M102 VanDerWaalsContact CB-O 3.25Å; S36-M102 WeakPolarHBondContact CB-O 3.44Å; L37-M102 PolarHBondContact N-O 2.77Å; L37-M102 PolarHBondContact O-N 2.82Å; L39-M102 HydrophobicContact CD1-SD 4.06Å; L39-M102 HydrophobicContact CG-SD 4.13Å; F87-M102 HydrophobicContact CD1-CB 3.68Å; F87-M102 HydrophobicContact CD1-CG 3.84Å; F87-M102 HydrophobicContact CD2-CE 4.16Å; F87-M102 HydrophobicContact CD2-CG 4.23Å; F87-M102 HydrophobicContact CE1-CB 3.7Å; F87-M102 HydrophobicContact CE1-CE 3.84Å; F87-M102 HydrophobicContact CE1-CG 3.96Å; F87-M102 HydrophobicContact CE2-CE 3.39Å; F87-M102 HydrophobicContact CE2-CG 4.32Å; F87-M102 HydrophobicContact CG-CB 4.36Å; F87-M102 HydrophobicContact CG-CG 4.03Å; F87-M102 HydrophobicContact CZ-CB 4.35Å; F87-M102 HydrophobicContact CZ-CE 3.21Å; F87-M102 HydrophobicContact CZ-CG 4.21Å; L100-M102 HydrophobicContact CD2-CE 4.49Å; L100-M102 HydrophobicContact CD2-CG 3.97Å; L100-M102 HydrophobicContact CD2-SD 4.01Å; L100-M102 HydrophobicContact CG-CG 3.88Å; L100-M102 HydrophobicContact CG-SD 4.47Å; M102-L105 HydrophobicContact CB-CD2 3.91Å; M102-L105 HydrophobicContact CB-CG 4.33Å; M102-L105 HydrophobicContact CE-CD2 3.63Å; M102-L105 HydrophobicContact SD-CD2 4.37Å; M102-Y113 HydrophobicContact CE-CE1 3.73Å; M102-Y113 HydrophobicContact CE-CE2 4.06Å; M102-Y113 WeakPolarHBondContact CE-OH 3.4Å
103	S	96.7	Very high	96.6	Very high	43 Å²	43	57.1 Å²	57.1	30%	0.301	32%	0.316	S	S	.	.			trans	-126.2	163.2	173.3	70.4	0	0	0	0	110.9	R86 L105	R86-S103 WeakPolarHBondContact CB-O 3.32Å; R86-S103 PolarHBondContact O-N 3.5Å; R86-S103 PolarHBondContact O-OG 3.39Å; S103-L105 PolarHBondContact O-N 2.82Å
104	S	96.6	Very high	96.6	Very high	68 Å²	68	58.8 Å²	58.8	48%	0.476	32%	0.319	S	S	.	.	S	Bend	trans	48.7	49.3	177.9	-58.7	0	0	0	0	111.9	G35 R86	G35-S104 PolarHBondContact O-N 3.24Å; R86-S104 PolarHBondContact NH1-O 2.97Å; R86-S104 VanDerWaalsContact NH1-O 3.1Å
105	L	96.8	Very high	96.7	Very high	15 Å²	15	54.6 Å²	54.6	8%	0.079	28%	0.283	C	S	.	.			trans	-61.5	138.1	-176	-77.3	164.4	0	0	0	111.3	V31 P33 G34 G35 L37 F87 M102 S103 D109	V31-L105 HydrophobicContact CG2-CD1 3.31Å; P33-L105 CarbonylContact C-O 3.56Å; P33-L105 WeakPolarHBondContact CA-O 3.45Å; G34-L105 PolarHBondContact N-O 3.35Å; G35-L105 PolarHBondContact O-N 3.32Å; G35-L105 VanDerWaalsContact O-N 3.16Å; L37-L105 HydrophobicContact CB-CD1 3.94Å; F87-L105 HydrophobicContact CE1-CD2 3.91Å; F87-L105 HydrophobicContact CZ-CD2 4.04Å; M102-L105 HydrophobicContact CB-CD2 3.91Å; M102-L105 HydrophobicContact CB-CG 4.33Å; M102-L105 HydrophobicContact CE-CD2 3.63Å; M102-L105 HydrophobicContact SD-CD2 4.37Å; S103-L105 PolarHBondContact O-N 2.82Å; L105-D109 HydrophobicContact CD2-CB 3.87Å
106	K	95.6	Very high	96.7	Very high	108 Å²	108	49.4 Å²	49.4	47%	0.47	27%	0.266	S	S	.	.			trans	-111.2	165.4	177.4	-51.9	-179.1	179.6	179	0	110.5	E108 D109	K106-E108 WeakPolarHBondContact CB-OE2 3.39Å; K106-E108 WeakPolarHBondContact CD-OE2 3.27Å; K106-E108 PolarHBondContact O-N 2.95Å; K106-D109 PolarHBondContact N-OD2 2.95Å; K106-D109 WeakPolarHBondContact O-CB 3.49Å; K106-D109 PolarHBondContact O-N 3Å
107	S	93.2	Very high	96.5	Very high	78 Å²	78	53.1 Å²	53.1	55%	0.545	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-52.6	-38.5	171.9	27.3	0	0	0	0	112.2	D109 T110	S107-D109 PolarHBondContact O-N 3.14Å; S107-T110 WeakPolarHBondContact O-CB 3.43Å; S107-T110 PolarHBondContact O-N 2.85Å; S107-T110 VanDerWaalsContact O-N 3.14Å; S107-T110 PolarHBondContact O-OG1 2.8Å
108	E	93.2	Very high	96.5	Very high	119 Å²	119	54.9 Å²	54.9	56%	0.556	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-70.4	-9.7	-179.4	-52.1	73.9	-131.2	0	0	113.5	R57 K106 T110	R57-E108 PolarHBondContact NH1-O 3.48Å; K106-E108 WeakPolarHBondContact CB-OE2 3.39Å; K106-E108 WeakPolarHBondContact CD-OE2 3.27Å; K106-E108 PolarHBondContact O-N 2.95Å; E108-T110 VanDerWaalsContact C-N 3.31Å
109	D	95.3	Very high	96.3	Very high	8 Å²	8	57.8 Å²	57.8	4%	0.043	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-87.6	-2.4	174.5	-56.7	-47.3	0	0	0	113.1	R57 R86 F87 L105 K106 S107 A111 Y113	R57-D109 IonicContact NH1-OD1 2.83Å; R57-D109 PolarHBondContact NH1-OD1 2.89Å; R57-D109 VanDerWaalsContact NH1-OD1 3.08Å; R86-D109 IonicContact CZ-OD1 3.42Å; R86-D109 IonicContact CZ-OD2 3Å; R86-D109 IonicContact NH1-OD1 2.75Å; R86-D109 IonicContact NH1-OD2 3.08Å; R86-D109 PolarHBondContact NH1-OD2 3.34Å; R86-D109 IonicContact NH2-OD1 3.22Å; R86-D109 PolarHBondContact NH2-OD1 3.28Å; R86-D109 IonicContact NH2-OD2 3.8Å; R86-D109 PolarHBondContact NH2-OD2 2.92Å; F87-D109 HydrophobicContact CZ-CB 4.05Å; L105-D109 HydrophobicContact CD2-CB 3.87Å; K106-D109 PolarHBondContact N-OD2 2.95Å; K106-D109 WeakPolarHBondContact O-CB 3.49Å; K106-D109 PolarHBondContact O-N 3Å; S107-D109 PolarHBondContact O-N 3.14Å; D109-A111 PolarHBondContact O-N 2.87Å; D109-A111 VanDerWaalsContact O-N 3.13Å; D109-Y113 WeakPolarHBondContact O-CE2 3.33Å; D109-Y113 PolarHBondContact O-OH 3.33Å; D109-Y113 VanDerWaalsContact O-OH 3.1Å
110	T	94.3	Very high	96.2	Very high	98 Å²	98	58.6 Å²	58.6	60%	0.601	31%	0.306	S	S	*	.			trans	-71.1	106.8	175.7	-51	0	0	0	0	109.8	S107 E108	S107-T110 WeakPolarHBondContact O-CB 3.43Å; S107-T110 PolarHBondContact O-N 2.85Å; S107-T110 VanDerWaalsContact O-N 3.14Å; S107-T110 PolarHBondContact O-OG1 2.8Å; E108-T110 VanDerWaalsContact C-N 3.31Å
111	A	95.7	Very high	96.1	Very high	25 Å²	25	62 Å²	62	21%	0.207	32%	0.323	C	S	.	.	S	Bend	trans	-160.1	167.8	-177.2	0	0	0	0	0	110.6	R57 Q58 D109 Y113	R57-A111 HydrophobicContact CB-CB 3.82Å; R57-A111 HydrophobicContact CG-CB 4.15Å; Q58-A111 WeakPolarHBondContact O-CB 3.26Å; D109-A111 PolarHBondContact O-N 2.87Å; D109-A111 VanDerWaalsContact O-N 3.13Å; A111-Y113 HydrophobicContact CB-CD2 4.4Å; A111-Y113 HydrophobicContact CB-CE2 3.9Å; A111-Y113 VanDerWaalsContact O-CD2 3.32Å; A111-Y113 WeakPolarHBondContact O-CD2 3.39Å
112	M	96.2	Very high	95.9	Very high	113 Å²	113	60.8 Å²	60.8	56%	0.557	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	132.3	163.6	-68.4	-50.8	-42.9	0	0	109.7	R57 Q58 Y114	R57-M112 CarbonylContact C-O 3.53Å; R57-M112 WeakPolarHBondContact CA-O 3.41Å; Q58-M112 HydrophobicContact CB-CB 4.47Å; Q58-M112 PolarHBondContact N-O 3.21Å; Q58-M112 PolarHBondContact O-N 3.01Å; M112-Y114 HydrophobicContact CB-CE2 3.69Å
113	Y	97.5	Very high	95.8	Very high	25 Å²	25	64.6 Å²	64.6	10%	0.098	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	132.9	-178.3	-76.2	-103.2	0	0	0	110.5	L39 R57 V67 L100 M102 D109 A111	L39-Y113 HydrophobicContact CD1-CD1 3.78Å; L39-Y113 HydrophobicContact CD1-CD2 4.2Å; L39-Y113 HydrophobicContact CD1-CG 3.57Å; R57-Y113 HydrophobicContact CB-CD1 3.99Å; R57-Y113 HydrophobicContact CB-CD2 4.39Å; R57-Y113 HydrophobicContact CB-CE1 3.87Å; R57-Y113 HydrophobicContact CB-CE2 4.25Å; R57-Y113 HydrophobicContact CB-CG 4.24Å; V67-Y113 HydrophobicContact CG1-CE1 4.14Å; V67-Y113 HydrophobicContact CG2-CD1 4.35Å; V67-Y113 HydrophobicContact CG2-CE1 3.86Å; L100-Y113 HydrophobicContact CD2-CD1 4.05Å; L100-Y113 HydrophobicContact CD2-CE1 4.03Å; M102-Y113 HydrophobicContact CE-CE1 3.73Å; M102-Y113 HydrophobicContact CE-CE2 4.06Å; M102-Y113 WeakPolarHBondContact CE-OH 3.4Å; D109-Y113 WeakPolarHBondContact O-CE2 3.33Å; D109-Y113 PolarHBondContact O-OH 3.33Å; D109-Y113 VanDerWaalsContact O-OH 3.1Å; A111-Y113 HydrophobicContact CB-CD2 4.4Å; A111-Y113 HydrophobicContact CB-CE2 3.9Å; A111-Y113 VanDerWaalsContact O-CD2 3.32Å; A111-Y113 WeakPolarHBondContact O-CD2 3.39Å
114	Y	97.6	Very high	95.7	Very high	96 Å²	96	66.1 Å²	66.1	38%	0.376	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	142.5	179.7	-56.6	-77.5	0	0	0	109.3	E25 W55 V56 Q58 M112	E25-Y114 WeakPolarHBondContact OE1-CA 3.25Å; W55-Y114 WeakPolarHBondContact CA-O 3.47Å; V56-Y114 PolarHBondContact N-O 3.3Å; V56-Y114 PolarHBondContact O-N 3.5Å; V56-Y114 VanDerWaalsContact O-O 3.1Å; Q58-Y114 HydrophobicContact CB-CE2 4.01Å; M112-Y114 HydrophobicContact CB-CE2 3.69Å
115	C	97.7	Very high	95.7	Very high	8 Å²	8	66 Å²	66	5%	0.054	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	148	166.3	55.1	0	0	0	0	110.1	L23 E25 C41 S54 W55 L98	L23-C115 WeakPolarHBondContact CD1-O 3.28Å; E25-C115 PolarHBondContact OE1-N 3.4Å; E25-C115 PolarHBondContact OE1-SG 3.16Å; C41-C115 HydrophobicContact CB-CB 3.44Å; C41-C115 VanDerWaalsContact CB-CB 3.44Å; C41-C115 WeakPolarHBondContact CB-SG 3.49Å; C41-C115 WeakPolarHBondContact SG-CB 3.32Å; C41-C115 CovalentContact SG-SG 2.01Å; C41-C115 PolarHBondContact SG-SG 2.83Å; S54-C115 CarbonylContact O-C 3.57Å; S54-C115 VanDerWaalsContact O-CA 3.3Å; S54-C115 WeakPolarHBondContact O-CA 3.49Å; W55-C115 HydrophobicContact CD2-CB 4.46Å; W55-C115 HydrophobicContact CE3-CB 4.34Å; W55-C115 HydrophobicContact CH2-CB 4.4Å; W55-C115 HydrophobicContact CZ3-CB 4.31Å; L98-C115 HydrophobicContact CD2-CB 4.03Å
116	A	97.4	Very high	95.6	Very high	26 Å²	26	70.3 Å²	70.3	22%	0.215	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	143	179.9	0	0	0	0	0	109.8	M53 S54 V56 W66	M53-A116 CarbonylContact C-O 3.58Å; M53-A116 WeakPolarHBondContact CA-O 3.47Å; M53-A116 WeakPolarHBondContact CE-O 3.21Å; S54-A116 PolarHBondContact N-O 3.13Å; S54-A116 PolarHBondContact O-N 2.93Å; V56-A116 HydrophobicContact CG2-CB 4.18Å; W66-A116 HydrophobicContact CZ3-CB 4.42Å
117	R	93.2	Very high	95.6	Very high	139 Å²	139	66.8 Å²	66.8	53%	0.525	34%	0.343	S	S	.	.			trans	-91.2	0	170.2	-173.2	-177.7	78.2	-179	-3.7	110.2	F46 Y51 M53	F46-R117 VanDerWaalsContact CB-NH1 3.31Å; F46-R117 HydrophobicContact CE2-CG 4.04Å; F46-R117 VanDerWaalsContact CG-NH1 3.27Å; F46-R117 HydrophobicContact CZ-CG 4.4Å; Y51-R117 VanDerWaalsContact CB-CG 3.43Å; Y51-R117 HydrophobicContact CD1-CG 3.67Å; Y51-R117 HydrophobicContact CD2-CG 4.34Å; Y51-R117 HydrophobicContact CG-CG 3.57Å; M53-R117 HydrophobicContact CE-CB 4.18Å; M53-R117 HydrophobicContact SD-CB 3.77Å; M53-R117 HydrophobicContact SD-CG 3.84Å

Retrieved 117 of 117 residues in 111.8 ms (Link to these results)

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