A0A075B5Q2_MOUSE Loading...

Immunoglobulin heavy variable 5-9

AlphaFold DB , UniProt , Accession A0A075B5Q2, Species MOUSE (Mus musculus, Mouse), Gene Ighv5-9, Length 117 aa.

						>A0A075B5Q2_MOUSE|A0A075B5Q2|Ighv5-9
MNFGLSLIFLVLILKGVQCEVMLVESGGGLVKPGGSLKLSCAASGFTFSSYTMSWVRQTPEKRLEWVATISGGGGNTYYPDSVKGRFTISRDNAKNTLYLQMSSLRSEDTALYYCAR
					

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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	46.4	Very low	61	Low	222 Å²	222	121.2 Å²	121.2	100%	1.094	65%	0.645	S	S	*	*				0	108.4	0	-163	160.7	71.4	0	0	106.8
2	N	56.8	Low	61.2	Low	105 Å²	105	120.2 Å²	120.2	56%	0.561	64%	0.638	S	S	*	*			cis	-153.4	120	6.1	-79.6	-36.1	0	0	0	106.8	G4 L5	N2-G4 PolarHBondContact O-N 3.45Å; N2-G4 VanDerWaalsContact O-N 3.11Å; N2-L5 HydrophobicContact CB-CD1 4.23Å; N2-L5 PolarHBondContact O-N 2.94Å
3	F	59	Low	61.3	Low	206 Å²	206	120.8 Å²	120.8	90%	0.904	64%	0.64	S	S	*	*	H	α-helix	trans	-60.5	-19.2	175.3	-69	-81.3	0	0	0	113	L5 S6	F3-L5 PolarHBondContact O-N 3.11Å; F3-S6 PolarHBondContact O-N 3.49Å
4	G	59	Low	61.3	Low	48 Å²	48	123.1 Å²	123.1	50%	0.495	65%	0.651	S	S	.	*	H	α-helix	trans	-66.1	-28.6	175.5	0	0	0	0	0	114.8	N2 I8	N2-G4 PolarHBondContact O-N 3.45Å; N2-G4 VanDerWaalsContact O-N 3.11Å; G4-I8 WeakPolarHBondContact O-CG1 3.47Å
5	L	61.7	Low	61.2	Low	97 Å²	97	126.5 Å²	126.5	51%	0.508	66%	0.659	S	S	.	*	H	α-helix	trans	-68.8	-37.5	178.9	-87.9	154.7	0	0	0	111.7	N2 F3 L7 I8 F9	N2-L5 HydrophobicContact CB-CD1 4.23Å; N2-L5 PolarHBondContact O-N 2.94Å; F3-L5 PolarHBondContact O-N 3.11Å; L5-L7 VanDerWaalsContact C-N 3.34Å; L5-L7 PolarHBondContact O-N 3.35Å; L5-I8 PolarHBondContact O-N 3.18Å; L5-F9 WeakPolarHBondContact O-CD2 3.43Å; L5-F9 PolarHBondContact O-N 3.26Å
6	S	65.4	Low	61.2	Low	87 Å²	87	122.8 Å²	122.8	61%	0.608	66%	0.661	S	S	*	*	H	α-helix	trans	-64.9	-36.6	-178.6	-177.3	0	0	0	0	112.4	F3 F9 L10	F3-S6 PolarHBondContact O-N 3.49Å; S6-F9 PolarHBondContact O-N 3.36Å; S6-L10 PolarHBondContact O-N 3.3Å
7	L	62.3	Low	61.5	Low	124 Å²	124	123.2 Å²	123.2	65%	0.649	67%	0.668	S	S	*	*	H	α-helix	trans	-68.1	-37	176.9	-167.6	68.2	0	0	0	112	L5 L10 V11	L5-L7 VanDerWaalsContact C-N 3.34Å; L5-L7 PolarHBondContact O-N 3.35Å; L7-L10 PolarHBondContact O-N 3.21Å; L7-V11 PolarHBondContact O-N 3.43Å
8	I	66.5	Low	61.3	Low	104 Å²	104	126.8 Å²	126.8	53%	0.533	68%	0.68	S	S	.	*	H	α-helix	trans	-65.6	-40.5	177.6	-62.7	167.5	0	0	0	111	G4 L5 L10 V11 L12	G4-I8 WeakPolarHBondContact O-CG1 3.47Å; L5-I8 PolarHBondContact O-N 3.18Å; I8-L10 VanDerWaalsContact C-N 3.33Å; I8-L10 PolarHBondContact O-N 3.28Å; I8-V11 PolarHBondContact O-N 3.23Å; I8-L12 PolarHBondContact O-N 3.22Å
9	F	63.7	Low	61.5	Low	138 Å²	138	125.3 Å²	125.3	61%	0.605	68%	0.679	S	S	*	*	H	α-helix	trans	-62.2	-37.9	175.1	-86.8	-80.8	0	0	0	112.6	L5 S6 V11 L12 I13	L5-F9 WeakPolarHBondContact O-CD2 3.43Å; L5-F9 PolarHBondContact O-N 3.26Å; S6-F9 PolarHBondContact O-N 3.36Å; F9-V11 VanDerWaalsContact C-N 3.28Å; F9-V11 PolarHBondContact O-N 3.13Å; F9-L12 PolarHBondContact O-N 2.79Å; F9-L12 VanDerWaalsContact O-N 3.14Å; F9-I13 WeakPolarHBondContact O-CG1 3.44Å; F9-I13 PolarHBondContact O-N 3.45Å
10	L	64.1	Low	62.7	Low	111 Å²	111	127.5 Å²	127.5	58%	0.581	68%	0.684	S	S	*	*	H	α-helix	trans	-66	-29.4	179	-150.8	91.8	0	0	0	112.9	S6 L7 I8 L12 I13	S6-L10 PolarHBondContact O-N 3.3Å; L7-L10 PolarHBondContact O-N 3.21Å; I8-L10 VanDerWaalsContact C-N 3.33Å; I8-L10 PolarHBondContact O-N 3.28Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-I13 HydrophobicContact CD1-CD1 4.12Å; L10-I13 HydrophobicContact CG-CD1 4.35Å; L10-I13 WeakPolarHBondContact O-CG1 3.34Å
11	V	66	Low	64.1	Low	91 Å²	91	124 Å²	124	55%	0.552	67%	0.668	S	S	*	*	H	α-helix	trans	-72.3	-28.6	175.2	178.1	0	0	0	0	111.7	L7 I8 F9	L7-V11 PolarHBondContact O-N 3.43Å; I8-V11 PolarHBondContact O-N 3.23Å; F9-V11 VanDerWaalsContact C-N 3.28Å; F9-V11 PolarHBondContact O-N 3.13Å
12	L	63	Low	66.4	Low	109 Å²	109	118 Å²	118	57%	0.571	64%	0.638	S	S	*	*	H	α-helix	trans	-76.4	-34	-177	-68.9	169.9	0	0	0	113.5	I8 F9 L10 L14 K15	I8-L12 PolarHBondContact O-N 3.22Å; F9-L12 PolarHBondContact O-N 2.79Å; F9-L12 VanDerWaalsContact O-N 3.14Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L12-L14 PolarHBondContact O-N 3.03Å; L12-K15 PolarHBondContact O-N 3.25Å
13	I	62.5	Low	68.3	Low	128 Å²	128	115.3 Å²	115.3	66%	0.656	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-68	-18.4	179.5	26.5	171.5	0	0	0	113.9	F9 L10 K15	F9-I13 WeakPolarHBondContact O-CG1 3.44Å; F9-I13 PolarHBondContact O-N 3.45Å; L10-I13 HydrophobicContact CD1-CD1 4.12Å; L10-I13 HydrophobicContact CG-CD1 4.35Å; L10-I13 WeakPolarHBondContact O-CG1 3.34Å; I13-K15 VanDerWaalsContact C-N 3.31Å; I13-K15 PolarHBondContact O-N 2.85Å
14	L	61.2	Low	70.2	Confident	153 Å²	153	108.6 Å²	108.6	80%	0.801	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-82.8	-1.3	177.2	-68.7	171	0	0	0	114	L12 G16	L12-L14 PolarHBondContact O-N 3.03Å; L14-G16 VanDerWaalsContact C-N 3.26Å; L14-G16 PolarHBondContact O-N 2.87Å
15	K	60.8	Low	72	Confident	175 Å²	175	109.6 Å²	109.6	76%	0.761	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-83.9	9	179.9	-66.1	-107.8	178	175.7	0	114.1	L12 I13	L12-K15 PolarHBondContact O-N 3.25Å; I13-K15 VanDerWaalsContact C-N 3.31Å; I13-K15 PolarHBondContact O-N 2.85Å
16	G	60.7	Low	73.8	Confident	67 Å²	67	107.8 Å²	107.8	69%	0.691	59%	0.587	S	S	*	*			trans	-93.1	2.5	-165.8	0	0	0	0	0	118.5	L14	L14-G16 VanDerWaalsContact C-N 3.26Å; L14-G16 PolarHBondContact O-N 2.87Å
17	V	65.9	Low	75.2	Confident	130 Å²	130	105.6 Å²	105.6	79%	0.788	58%	0.577	S	S	*	*			trans	-100.2	94.2	177.5	179.5	0	0	0	0	109.8
18	Q	58	Low	76.6	Confident	187 Å²	187	102.7 Å²	102.7	87%	0.874	58%	0.577	S	S	*	*			trans	-94.6	96.9	161.5	-67.4	-166.4	-31.2	0	0	107.7	E20	Q18-E20 PolarHBondContact O-N 3.14Å
19	C	66.4	Low	78	Confident	98 Å²	98	100.1 Å²	100.1	66%	0.662	58%	0.576	S	S	*	*			trans	-70.1	114.5	161.6	-91.9	0	0	0	0	107.3	V21	C19-V21 PolarHBondContact O-N 3.18Å
20	E	84.8	Confident	79.4	Confident	169 Å²	169	102.1 Å²	102.1	79%	0.79	59%	0.593	S	S	*	*	S	Bend	trans	-58.4	-33.9	-179.7	-174.8	179.1	-175	0	0	111.8	Q18 G45	Q18-E20 PolarHBondContact O-N 3.14Å; E20-G45 WeakPolarHBondContact O-CA 3.37Å
21	V	91.9	Very high	80.9	Confident	56 Å²	56	100 Å²	100	34%	0.339	58%	0.584	S	S	.	*	S	Bend	trans	-121.7	132.9	177.3	172.8	0	0	0	0	109.6	C19 F46	C19-V21 PolarHBondContact O-N 3.18Å; V21-F46 HydrophobicContact CG1-CD1 3.72Å; V21-F46 HydrophobicContact CG1-CE1 3.87Å; V21-F46 HydrophobicContact CG2-CD1 4.26Å
22	M	94.6	Very high	82.2	Confident	96 Å²	96	104.1 Å²	104.1	47%	0.473	59%	0.594	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-134.3	133.9	178.6	-175.7	178	67.4	0	0	111	V24 A43 S44	M22-V24 HydrophobicContact CE-CG2 3.89Å; M22-V24 HydrophobicContact CG-CG2 3.63Å; M22-V24 HydrophobicContact SD-CG2 3.75Å; M22-A43 CarbonylContact O-C 3.52Å; M22-A43 WeakPolarHBondContact O-CA 3.28Å; M22-S44 WeakPolarHBondContact CE-OG 3.36Å; M22-S44 PolarHBondContact N-O 2.8Å; M22-S44 PolarHBondContact O-N 3.14Å
23	L	97.5	Very high	83.7	Confident	48 Å²	48	104.1 Å²	104.1	25%	0.251	60%	0.601	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.5	125.6	172.4	-64.5	-177.6	0	0	0	107.2	A42 A43 F46 M53 C115	L23-A42 CarbonylContact C-O 3.47Å; L23-A42 WeakPolarHBondContact CA-O 3.29Å; L23-A43 HydrophobicContact CD2-CB 3.61Å; L23-F46 HydrophobicContact CD2-CE1 3.96Å; L23-F46 HydrophobicContact CD2-CZ 4.08Å; L23-M53 HydrophobicContact CD1-CE 4.46Å; L23-M53 HydrophobicContact CD2-CE 3.96Å; L23-C115 WeakPolarHBondContact CD1-O 3.41Å
24	V	97.5	Very high	85.3	Confident	65 Å²	65	100.5 Å²	100.5	39%	0.394	60%	0.596	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.8	103.7	-175.3	-173.1	0	0	0	0	110.3	M22 C41 A42	M22-V24 HydrophobicContact CE-CG2 3.89Å; M22-V24 HydrophobicContact CG-CG2 3.63Å; M22-V24 HydrophobicContact SD-CG2 3.75Å; V24-C41 VanDerWaalsContact O-CA 3.31Å; V24-C41 WeakPolarHBondContact O-CA 3.23Å; V24-A42 HydrophobicContact CB-CB 4.46Å; V24-A42 PolarHBondContact N-O 2.82Å; V24-A42 PolarHBondContact O-N 3.47Å
25	E	98.2	Very high	87	Confident	68 Å²	68	94.3 Å²	94.3	32%	0.318	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-79.8	144.4	178.3	-60.3	86.4	166.7	0	0	113	S40 C41 W55 Y114 C115	E25-S40 CarbonylContact C-O 3.54Å; E25-S40 VanDerWaalsContact CA-O 3.31Å; E25-S40 WeakPolarHBondContact CA-O 3.25Å; E25-C41 HydrophobicContact CG-CB 4.38Å; E25-W55 HydrophobicContact CB-CH2 4.38Å; E25-W55 HydrophobicContact CB-CZ3 4.46Å; E25-W55 HydrophobicContact CG-CH2 3.95Å; E25-W55 HydrophobicContact CG-CZ3 3.8Å; E25-Y114 WeakPolarHBondContact OE1-CA 3.47Å; E25-C115 PolarHBondContact OE1-N 2.97Å; E25-C115 PolarHBondContact OE1-SG 2.92Å
26	S	97.9	Very high	88.7	Confident	60 Å²	60	89.1 Å²	89.1	42%	0.42	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-157.4	168.8	-178	49.2	0	0	0	0	111.3	L39 S40	S26-L39 WeakPolarHBondContact O-CA 3.14Å; S26-S40 PolarHBondContact N-O 2.97Å; S26-S40 PolarHBondContact O-N 2.73Å; S26-S40 PolarHBondContact OG-O 2.97Å; S26-S40 PolarHBondContact OG-OG 3.09Å
27	G	95.7	Very high	90.4	Very high	40 Å²	40	87.6 Å²	87.6	41%	0.412	53%	0.53	S	S	.	.			trans	87.4	5.8	178.2	0	0	0	0	0	115.4	K38 L39	G27-K38 WeakPolarHBondContact CA-O 3.31Å; G27-L39 WeakPolarHBondContact O-CD2 3.46Å
28	G	92.7	Very high	92	Very high	63 Å²	63	86.6 Å²	86.6	65%	0.649	52%	0.515	S	S	*	.			trans	-64.9	164.7	170.4	0	0	0	0	0	112.6
29	G	94.2	Very high	93.9	Very high	50 Å²	50	78.1 Å²	78.1	52%	0.515	48%	0.476	S	S	.	.			trans	169.4	170.5	178.1	0	0	0	0	0	112.3
30	L	94.2	Very high	95.4	Very high	181 Å²	181	74.9 Å²	74.9	95%	0.948	45%	0.454	S	S	*	.			trans	-89.8	126.8	172.9	-65	174.7	0	0	0	109.3
31	V	94.8	Very high	96.1	Very high	65 Å²	65	66.8 Å²	66.8	39%	0.394	42%	0.417	S	S	.	.			trans	-131.5	155.5	174.1	-63.7	0	0	0	0	110.3	L37 L105	V31-L37 HydrophobicContact CB-CG 4.44Å; V31-L37 HydrophobicContact CG1-CD1 4.05Å; V31-L37 HydrophobicContact CG1-CD2 3.54Å; V31-L37 HydrophobicContact CG1-CG 3.62Å; V31-L37 HydrophobicContact CG2-CD1 3.82Å; V31-L37 HydrophobicContact CG2-CG 3.93Å; V31-L105 HydrophobicContact CG2-CD1 3.47Å; V31-L105 VanDerWaalsContact CG2-CD1 3.47Å
32	K	93.7	Very high	96.4	Very high	178 Å²	178	66.2 Å²	66.2	77%	0.774	42%	0.418	S	S	*	.			trans	-69.3	150.4	173.4	-63.6	-177.9	-178.6	-179.4	0	109.9	G35	K32-G35 WeakPolarHBondContact O-CA 3.45Å; K32-G35 PolarHBondContact O-N 3.3Å
33	P	94.2	Very high	96.5	Very high	109 Å²	109	62 Å²	62	71%	0.708	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	142.6	169.7	-26.5	34.9	0	0	0	111.8	G35 L105	P33-G35 PolarHBondContact O-N 3.5Å; P33-L105 CarbonylContact C-O 3.58Å; P33-L105 WeakPolarHBondContact CA-O 3.1Å
34	G	96	Very high	96.5	Very high	53 Å²	53	61.9 Å²	61.9	55%	0.546	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.8	-10.3	-171.3	0	0	0	0	0	114.4	L105	G34-L105 PolarHBondContact N-O 3.37Å
35	G	96.7	Very high	96.3	Very high	23 Å²	23	61.1 Å²	61.1	24%	0.237	41%	0.407	C	S	.	.			trans	-68.3	-178.6	176	0	0	0	0	0	113.7	K32 P33 S104 L105	K32-G35 WeakPolarHBondContact O-CA 3.45Å; K32-G35 PolarHBondContact O-N 3.3Å; P33-G35 PolarHBondContact O-N 3.5Å; G35-S104 PolarHBondContact O-N 2.89Å; G35-L105 PolarHBondContact O-N 3.44Å; G35-L105 VanDerWaalsContact O-N 3.13Å
36	S	97	Very high	96.1	Very high	66 Å²	66	59.5 Å²	59.5	46%	0.462	40%	0.398	S	S	.	.			trans	-131.1	149.6	178.6	-61.2	0	0	0	0	110.7	M102	S36-M102 CarbonylContact C-O 3.59Å; S36-M102 WeakPolarHBondContact CA-O 3.46Å; S36-M102 VanDerWaalsContact CB-O 3.23Å; S36-M102 WeakPolarHBondContact CB-O 3.3Å
37	L	97.2	Very high	96	Very high	34 Å²	34	60.7 Å²	60.7	18%	0.178	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	156.7	174.8	-80.5	173.5	0	0	0	109.7	V31 M102 L105	V31-L37 HydrophobicContact CB-CG 4.44Å; V31-L37 HydrophobicContact CG1-CD1 4.05Å; V31-L37 HydrophobicContact CG1-CD2 3.54Å; V31-L37 HydrophobicContact CG1-CG 3.62Å; V31-L37 HydrophobicContact CG2-CD1 3.82Å; V31-L37 HydrophobicContact CG2-CG 3.93Å; L37-M102 HydrophobicContact CB-CE 3.56Å; L37-M102 HydrophobicContact CD1-CE 4.21Å; L37-M102 PolarHBondContact N-O 3.29Å; L37-M102 PolarHBondContact O-N 3.28Å; L37-L105 HydrophobicContact CB-CD1 3.96Å; L37-L105 HydrophobicContact CD1-CD1 3.92Å; L37-L105 HydrophobicContact CG-CD1 3.89Å
38	K	98.1	Very high	96.1	Very high	109 Å²	109	58.9 Å²	58.9	47%	0.474	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	117	172.7	-176.9	178.7	176.6	178.4	0	108.9	G27 Y99 L100	G27-K38 WeakPolarHBondContact CA-O 3.31Å; K38-Y99 VanDerWaalsContact CE-CD1 3.47Å; K38-L100 WeakPolarHBondContact CA-O 3.46Å
39	L	98.6	Very high	96.3	Very high	10 Å²	10	58.5 Å²	58.5	5%	0.052	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	151.2	171.7	-48.9	-176.1	0	0	0	110.2	S26 G27 W55 Y99 L100 M102 Y113	S26-L39 WeakPolarHBondContact O-CA 3.14Å; G27-L39 WeakPolarHBondContact O-CD2 3.46Å; L39-W55 HydrophobicContact CB-CH2 3.8Å; L39-W55 HydrophobicContact CB-CZ2 3.95Å; L39-W55 HydrophobicContact CB-CZ3 4.35Å; L39-W55 HydrophobicContact CD1-CE3 4.41Å; L39-W55 HydrophobicContact CD1-CH2 4.43Å; L39-W55 HydrophobicContact CD1-CZ3 4.14Å; L39-Y99 VanDerWaalsContact O-CA 3.28Å; L39-Y99 WeakPolarHBondContact O-CA 3.48Å; L39-L100 HydrophobicContact CB-CB 4.18Å; L39-L100 HydrophobicContact CD1-CD2 4.19Å; L39-L100 PolarHBondContact N-O 2.82Å; L39-L100 PolarHBondContact O-N 2.86Å; L39-M102 HydrophobicContact CD1-CE 3.86Å; L39-M102 HydrophobicContact CD1-SD 4.37Å; L39-M102 HydrophobicContact CD2-CE 3.93Å; L39-M102 HydrophobicContact CG-CE 3.63Å; L39-Y113 VanDerWaalsContact CD1-CB 3.48Å; L39-Y113 HydrophobicContact CD1-CD1 3.86Å; L39-Y113 HydrophobicContact CD1-CD2 4.15Å; L39-Y113 HydrophobicContact CD1-CG 3.57Å
40	S	98.6	Very high	96.4	Very high	29 Å²	29	60.1 Å²	60.1	20%	0.203	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	146.7	171.5	38.2	0	0	0	0	110.4	E25 S26 L98	E25-S40 CarbonylContact C-O 3.54Å; E25-S40 VanDerWaalsContact CA-O 3.31Å; E25-S40 WeakPolarHBondContact CA-O 3.25Å; S26-S40 PolarHBondContact N-O 2.97Å; S26-S40 PolarHBondContact O-N 2.73Å; S26-S40 PolarHBondContact OG-O 2.97Å; S26-S40 PolarHBondContact OG-OG 3.09Å; S40-L98 CarbonylContact C-O 3.59Å; S40-L98 VanDerWaalsContact CA-O 3.29Å; S40-L98 WeakPolarHBondContact CA-O 3.34Å
41	C	98.6	Very high	96.5	Very high	0 Å²	0	56 Å²	56	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	113	172.7	159.8	0	0	0	0	109.1	V24 E25 W55 T97 L98 C115	V24-C41 VanDerWaalsContact O-CA 3.31Å; V24-C41 WeakPolarHBondContact O-CA 3.23Å; E25-C41 HydrophobicContact CG-CB 4.38Å; C41-W55 HydrophobicContact CB-CH2 3.72Å; C41-W55 HydrophobicContact CB-CZ2 3.67Å; C41-T97 CarbonylContact O-C 3.58Å; C41-T97 WeakPolarHBondContact O-CA 3.22Å; C41-L98 HydrophobicContact CB-CB 4.18Å; C41-L98 PolarHBondContact N-O 2.81Å; C41-L98 PolarHBondContact O-N 3.23Å; C41-C115 HydrophobicContact CB-CB 3.42Å; C41-C115 VanDerWaalsContact CB-CB 3.42Å; C41-C115 WeakPolarHBondContact CB-SG 3.06Å; C41-C115 WeakPolarHBondContact SG-CB 3.41Å; C41-C115 CovalentContact SG-SG 2.01Å; C41-C115 PolarHBondContact SG-SG 3.27Å
42	A	98.1	Very high	96.7	Very high	44 Å²	44	56 Å²	56	36%	0.364	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	125.2	174.6	0	0	0	0	0	109.5	L23 V24	L23-A42 CarbonylContact C-O 3.47Å; L23-A42 WeakPolarHBondContact CA-O 3.29Å; V24-A42 HydrophobicContact CB-CB 4.46Å; V24-A42 PolarHBondContact N-O 2.82Å; V24-A42 PolarHBondContact O-N 3.47Å
43	A	97.6	Very high	96.9	Very high	8 Å²	8	47.5 Å²	47.5	7%	0.066	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	139.9	-178.9	0	0	0	0	0	111.2	M22 L23 F46 F48 N96	M22-A43 CarbonylContact O-C 3.52Å; M22-A43 WeakPolarHBondContact O-CA 3.28Å; L23-A43 HydrophobicContact CD2-CB 3.61Å; A43-F46 HydrophobicContact CB-CE1 3.91Å; A43-F46 HydrophobicContact CB-CZ 3.78Å; A43-F48 HydrophobicContact CB-CD2 3.51Å; A43-F48 HydrophobicContact CB-CE2 3.9Å; A43-F48 HydrophobicContact CB-CG 4.4Å; A43-N96 PolarHBondContact N-O 2.99Å; A43-N96 WeakPolarHBondContact O-CB 3.19Å
44	S	95.8	Very high	97.1	Very high	45 Å²	45	42.6 Å²	42.6	32%	0.315	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	163	174.6	57.7	0	0	0	0	110.7	M22 F46	M22-S44 WeakPolarHBondContact CE-OG 3.36Å; M22-S44 PolarHBondContact N-O 2.8Å; M22-S44 PolarHBondContact O-N 3.14Å; S44-F46 WeakPolarHBondContact O-CD1 3.31Å
45	G	94.4	Very high	97.2	Very high	49 Å²	49	40.1 Å²	40.1	51%	0.505	25%	0.253	S	S	.	.	S	Bend	trans	89.6	3.1	180	0	0	0	0	0	116.1	E20	E20-G45 WeakPolarHBondContact O-CA 3.37Å
46	F	94.5	Very high	97.3	Very high	33 Å²	33	39.9 Å²	39.9	15%	0.145	25%	0.248	C	C	.	.	S	Bend	trans	-157.8	165.8	175.7	64.9	-80	0	0	0	110.8	V21 L23 A43 S44 F48 Y51 M53 R117	V21-F46 HydrophobicContact CG1-CD1 3.72Å; V21-F46 HydrophobicContact CG1-CE1 3.87Å; V21-F46 HydrophobicContact CG2-CD1 4.26Å; L23-F46 HydrophobicContact CD2-CE1 3.96Å; L23-F46 HydrophobicContact CD2-CZ 4.08Å; A43-F46 HydrophobicContact CB-CE1 3.91Å; A43-F46 HydrophobicContact CB-CZ 3.78Å; S44-F46 WeakPolarHBondContact O-CD1 3.31Å; F46-F48 HydrophobicContact CE2-CB 4.39Å; F46-F48 HydrophobicContact CE2-CD2 4.25Å; F46-F48 HydrophobicContact CZ-CD2 4.21Å; F46-F48 PolarHBondContact O-N 3.34Å; F46-Y51 HydrophobicContact CB-CE2 4.39Å; F46-Y51 AromaticContact CD2-CD2 3.51Å; F46-Y51 HydrophobicContact CD2-CD2 3.51Å; F46-Y51 AromaticContact CD2-CE2 3.83Å; F46-Y51 HydrophobicContact CD2-CE2 3.83Å; F46-Y51 HydrophobicContact CD2-CG 4.29Å; F46-Y51 AromaticContact CE2-CD2 3.97Å; F46-Y51 HydrophobicContact CE2-CD2 3.97Å; F46-Y51 HydrophobicContact CE2-CG 4.38Å; F46-M53 HydrophobicContact CE2-SD 4.1Å; F46-M53 HydrophobicContact CZ-CE 4.33Å; F46-M53 HydrophobicContact CZ-SD 4.02Å; F46-R117 VanDerWaalsContact CB-NH1 3.3Å; F46-R117 HydrophobicContact CE2-CG 3.96Å; F46-R117 VanDerWaalsContact CG-NH1 3.33Å; F46-R117 HydrophobicContact CZ-CB 4.44Å; F46-R117 HydrophobicContact CZ-CG 4.27Å
47	T	95.9	Very high	97.3	Very high	85 Å²	85	37.4 Å²	37.4	52%	0.521	23%	0.228	S	C	.	.			trans	-73.2	90.4	174.5	-51	0	0	0	0	110.3	S49 S50 Y51	T47-S49 VanDerWaalsContact C-N 3.25Å; T47-S49 PolarHBondContact O-N 3.08Å; T47-S49 VanDerWaalsContact O-N 3.15Å; T47-S50 VanDerWaalsContact CG2-OG 3.22Å; T47-S50 WeakPolarHBondContact CG2-OG 3.49Å; T47-S50 WeakPolarHBondContact O-CB 3.31Å; T47-S50 PolarHBondContact O-N 2.89Å; T47-Y51 WeakPolarHBondContact O-CD2 3.46Å
48	F	96.7	Very high	97.3	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.009	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-50	-41.3	-175.2	179.4	-109.6	0	0	0	113.9	A43 F46 S50 Y51 M53 R91 N93 N96 L98	A43-F48 HydrophobicContact CB-CD2 3.51Å; A43-F48 HydrophobicContact CB-CE2 3.9Å; A43-F48 HydrophobicContact CB-CG 4.4Å; F46-F48 HydrophobicContact CE2-CB 4.39Å; F46-F48 HydrophobicContact CE2-CD2 4.25Å; F46-F48 HydrophobicContact CZ-CD2 4.21Å; F46-F48 PolarHBondContact O-N 3.34Å; F48-S50 PolarHBondContact O-N 2.67Å; F48-Y51 PolarHBondContact O-N 2.97Å; F48-M53 HydrophobicContact CD2-CG 4.09Å; F48-M53 HydrophobicContact CD2-SD 4.22Å; F48-M53 HydrophobicContact CE2-CE 4.15Å; F48-M53 HydrophobicContact CE2-CG 3.59Å; F48-M53 HydrophobicContact CE2-SD 4.1Å; F48-M53 HydrophobicContact CZ-CG 4.21Å; F48-R91 VanDerWaalsContact C-NH2 3.31Å; F48-R91 HydrophobicContact CE1-CB 4.19Å; F48-R91 VanDerWaalsContact CE1-NH2 3.28Å; F48-R91 HydrophobicContact CZ-CB 4.27Å; F48-R91 PolarHBondContact O-NH2 2.83Å; F48-N93 VanDerWaalsContact CD1-OD1 3.27Å; F48-N93 WeakPolarHBondContact CD1-OD1 3.17Å; F48-N93 WeakPolarHBondContact CE1-OD1 3.31Å; F48-N96 HydrophobicContact CB-CB 4Å; F48-N96 VanDerWaalsContact CB-OD1 3.31Å; F48-N96 WeakPolarHBondContact CB-OD1 3.31Å; F48-N96 HydrophobicContact CD1-CB 4.32Å; F48-N96 HydrophobicContact CG-CB 4.13Å; F48-L98 HydrophobicContact CE2-CB 4.44Å; F48-L98 HydrophobicContact CZ-CB 4.17Å
49	S	96.8	Very high	97	Very high	55 Å²	55	34.2 Å²	34.2	39%	0.385	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-64.4	-22.4	178.4	57	0	0	0	0	114.6	T47 Y51 G72	T47-S49 VanDerWaalsContact C-N 3.25Å; T47-S49 PolarHBondContact O-N 3.08Å; T47-S49 VanDerWaalsContact O-N 3.15Å; S49-Y51 VanDerWaalsContact C-N 3.29Å; S49-Y51 PolarHBondContact O-N 2.84Å; S49-G72 CarbonylContact O-C 3.23Å; S49-G72 VanDerWaalsContact O-C 3.23Å; S49-G72 WeakPolarHBondContact O-CA 3.48Å
50	S	96.3	Very high	96.7	Very high	85 Å²	85	38.5 Å²	38.5	59%	0.594	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-81.9	-7.7	-178.6	-59.1	0	0	0	0	113.4	T47 F48	T47-S50 VanDerWaalsContact CG2-OG 3.22Å; T47-S50 WeakPolarHBondContact CG2-OG 3.49Å; T47-S50 WeakPolarHBondContact O-CB 3.31Å; T47-S50 PolarHBondContact O-N 2.89Å; F48-S50 PolarHBondContact O-N 2.67Å
51	Y	97.1	Very high	96.4	Very high	93 Å²	93	44.2 Å²	44.2	37%	0.365	27%	0.267	S	S	.	.	S	Bend	trans	-120	142.4	-176	-65.6	-93.4	0	0	0	112.5	F46 T47 F48 S49 G72 R91 R117	F46-Y51 HydrophobicContact CB-CE2 4.39Å; F46-Y51 AromaticContact CD2-CD2 3.51Å; F46-Y51 HydrophobicContact CD2-CD2 3.51Å; F46-Y51 AromaticContact CD2-CE2 3.83Å; F46-Y51 HydrophobicContact CD2-CE2 3.83Å; F46-Y51 HydrophobicContact CD2-CG 4.29Å; F46-Y51 AromaticContact CE2-CD2 3.97Å; F46-Y51 HydrophobicContact CE2-CD2 3.97Å; F46-Y51 HydrophobicContact CE2-CG 4.38Å; T47-Y51 WeakPolarHBondContact O-CD2 3.46Å; F48-Y51 PolarHBondContact O-N 2.97Å; S49-Y51 VanDerWaalsContact C-N 3.29Å; S49-Y51 PolarHBondContact O-N 2.84Å; Y51-G72 WeakPolarHBondContact O-CA 3.2Å; Y51-R91 PolarHBondContact O-NH1 3.22Å; Y51-R117 VanDerWaalsContact CB-CG 3.48Å; Y51-R117 VanDerWaalsContact CD1-CD 3.49Å; Y51-R117 HydrophobicContact CD1-CG 3.58Å; Y51-R117 HydrophobicContact CD2-CG 4.36Å; Y51-R117 HydrophobicContact CE1-CG 4.4Å; Y51-R117 VanDerWaalsContact CG-CD 3.43Å; Y51-R117 HydrophobicContact CG-CG 3.56Å
52	T	98.2	Very high	95.8	Very high	65 Å²	65	52 Å²	52	40%	0.399	30%	0.301	S	S	.	.			trans	-64.6	135.7	160.4	-65.3	0	0	0	0	107.8	T69 I70 R117	T52-T69 HydrophobicContact CG2-CG2 3.26Å; T52-I70 WeakPolarHBondContact CA-O 3.34Å; T52-I70 WeakPolarHBondContact CG2-O 3Å; T52-R117 VanDerWaalsContact O-OXT 3.06Å
53	M	98.3	Very high	95.6	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	148	179.7	-65	-64.1	-56.3	0	0	108.9	L23 F46 F48 T69 I70 L98 A116 R117	L23-M53 HydrophobicContact CD1-CE 4.46Å; L23-M53 HydrophobicContact CD2-CE 3.96Å; F46-M53 HydrophobicContact CE2-SD 4.1Å; F46-M53 HydrophobicContact CZ-CE 4.33Å; F46-M53 HydrophobicContact CZ-SD 4.02Å; F48-M53 HydrophobicContact CD2-CG 4.09Å; F48-M53 HydrophobicContact CD2-SD 4.22Å; F48-M53 HydrophobicContact CE2-CE 4.15Å; F48-M53 HydrophobicContact CE2-CG 3.59Å; F48-M53 HydrophobicContact CE2-SD 4.1Å; F48-M53 HydrophobicContact CZ-CG 4.21Å; M53-T69 WeakPolarHBondContact O-CA 3.45Å; M53-I70 HydrophobicContact CB-CG2 4.39Å; M53-I70 PolarHBondContact N-O 3.28Å; M53-I70 PolarHBondContact O-N 3.46Å; M53-L98 HydrophobicContact CB-CD1 3.82Å; M53-L98 HydrophobicContact CB-CD2 3.93Å; M53-L98 HydrophobicContact CB-CG 4.43Å; M53-A116 CarbonylContact C-O 3.58Å; M53-A116 WeakPolarHBondContact CA-O 3.22Å; M53-A116 WeakPolarHBondContact CE-O 3.34Å; M53-R117 HydrophobicContact CE-CB 4.18Å; M53-R117 HydrophobicContact SD-CB 3.73Å; M53-R117 HydrophobicContact SD-CG 3.8Å
54	S	98.5	Very high	95.5	Very high	7 Å²	7	62.8 Å²	62.8	5%	0.049	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	155.6	-174.3	-61.6	0	0	0	0	111.7	A68 T69 C115 A116	S54-A68 CarbonylContact C-O 3.45Å; S54-A68 WeakPolarHBondContact CA-O 3.48Å; S54-T69 WeakPolarHBondContact OG-CB 3.42Å; S54-T69 VanDerWaalsContact OG-CG2 3.29Å; S54-T69 WeakPolarHBondContact OG-CG2 2.96Å; S54-T69 PolarHBondContact OG-OG1 3.36Å; S54-C115 CarbonylContact O-C 3.53Å; S54-C115 VanDerWaalsContact O-CA 3.28Å; S54-C115 WeakPolarHBondContact O-CA 3.36Å; S54-A116 PolarHBondContact N-O 3.49Å; S54-A116 PolarHBondContact O-N 3.16Å
55	W	98.6	Very high	95.5	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	131.9	163.4	-76.5	97.3	0	0	0	109.4	E25 L39 C41 V67 A68 L98 L100 Y114 C115	E25-W55 HydrophobicContact CB-CH2 4.38Å; E25-W55 HydrophobicContact CB-CZ3 4.46Å; E25-W55 HydrophobicContact CG-CH2 3.95Å; E25-W55 HydrophobicContact CG-CZ3 3.8Å; L39-W55 HydrophobicContact CB-CH2 3.8Å; L39-W55 HydrophobicContact CB-CZ2 3.95Å; L39-W55 HydrophobicContact CB-CZ3 4.35Å; L39-W55 HydrophobicContact CD1-CE3 4.41Å; L39-W55 HydrophobicContact CD1-CH2 4.43Å; L39-W55 HydrophobicContact CD1-CZ3 4.14Å; C41-W55 HydrophobicContact CB-CH2 3.72Å; C41-W55 HydrophobicContact CB-CZ2 3.67Å; W55-V67 HydrophobicContact CB-CB 4.09Å; W55-V67 WeakPolarHBondContact O-CB 3.41Å; W55-V67 PolarHBondContact O-N 2.82Å; W55-A68 PolarHBondContact N-O 2.74Å; W55-A68 PolarHBondContact O-N 3.29Å; W55-L98 HydrophobicContact CG-CD2 4.38Å; W55-L98 VanDerWaalsContact NE1-CD2 3.35Å; W55-L100 HydrophobicContact CB-CD2 4.21Å; W55-L100 HydrophobicContact CD2-CB 4.18Å; W55-L100 HydrophobicContact CD2-CD2 4.34Å; W55-L100 HydrophobicContact CG-CB 4.11Å; W55-L100 HydrophobicContact CG-CD1 4.44Å; W55-L100 HydrophobicContact CG-CD2 4.03Å; W55-L100 HydrophobicContact CG-CG 4.43Å; W55-L100 HydrophobicContact CZ2-CB 4.46Å; W55-Y114 WeakPolarHBondContact CA-O 3.28Å; W55-C115 HydrophobicContact CD2-CB 4.41Å; W55-C115 HydrophobicContact CE3-CB 4.3Å; W55-C115 HydrophobicContact CH2-CB 4.33Å; W55-C115 HydrophobicContact CZ2-CB 4.42Å; W55-C115 HydrophobicContact CZ3-CB 4.26Å
56	V	98.1	Very high	95.6	Very high	19 Å²	19	67.6 Å²	67.6	12%	0.115	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	141.2	173.5	-177.5	0	0	0	0	107	L64 E65 W66 Y113 Y114 A116	V56-L64 HydrophobicContact CG1-CB 4.42Å; V56-L64 HydrophobicContact CG1-CD2 4.15Å; V56-E65 CarbonylContact C-O 3.48Å; V56-E65 WeakPolarHBondContact CA-O 3.14Å; V56-W66 HydrophobicContact CG2-CD2 4.12Å; V56-W66 HydrophobicContact CG2-CE3 3.44Å; V56-W66 VanDerWaalsContact CG2-CE3 3.44Å; V56-W66 HydrophobicContact CG2-CH2 3.97Å; V56-W66 HydrophobicContact CG2-CZ3 3.31Å; V56-Y113 WeakPolarHBondContact O-CA 3.46Å; V56-Y114 PolarHBondContact N-O 3.32Å; V56-Y114 PolarHBondContact O-N 3.28Å; V56-Y114 VanDerWaalsContact O-O 3.12Å; V56-A116 HydrophobicContact CG2-CB 4.26Å
57	R	97.1	Very high	95.8	Very high	14 Å²	14	66 Å²	66	5%	0.053	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	146.4	171.5	72.3	-177.9	-176.3	179.4	9.4	111.4	L64 E65 V67 E108 D109 A111 L112 Y113	R57-L64 WeakPolarHBondContact O-CA 3.34Å; R57-E65 HydrophobicContact CG-CB 4.02Å; R57-E65 IonicContact CZ-OE2 3.34Å; R57-E65 PolarHBondContact N-O 2.89Å; R57-E65 IonicContact NE-OE2 2.67Å; R57-E65 PolarHBondContact NE-OE2 2.73Å; R57-E65 IonicContact NH2-OE2 2.78Å; R57-E65 PolarHBondContact NH2-OE2 3.16Å; R57-E65 PolarHBondContact O-N 3.44Å; R57-V67 HydrophobicContact CB-CG2 3.71Å; R57-V67 HydrophobicContact CG-CG2 3.55Å; R57-E108 PolarHBondContact NH1-O 3.15Å; R57-D109 IonicContact NH1-OD1 2.98Å; R57-D109 PolarHBondContact NH1-OD1 2.76Å; R57-D109 VanDerWaalsContact NH1-OD1 3.08Å; R57-A111 HydrophobicContact CB-CB 3.81Å; R57-A111 HydrophobicContact CG-CB 4.16Å; R57-L112 CarbonylContact C-O 3.46Å; R57-L112 WeakPolarHBondContact CA-O 3.34Å; R57-Y113 HydrophobicContact CB-CD1 3.9Å; R57-Y113 HydrophobicContact CB-CD2 4.46Å; R57-Y113 HydrophobicContact CB-CE1 3.82Å; R57-Y113 HydrophobicContact CB-CE2 4.38Å; R57-Y113 HydrophobicContact CB-CG 4.22Å
58	Q	96.9	Very high	95.9	Very high	57 Å²	57	62 Å²	62	27%	0.266	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	115.6	171.1	-169.4	174.1	29.4	0	0	109.2	R63 L64 A111 L112 Y114	Q58-R63 WeakPolarHBondContact CA-O 3.41Å; Q58-L64 HydrophobicContact CB-CD2 3.8Å; Q58-L64 HydrophobicContact CG-CD2 3.94Å; Q58-A111 WeakPolarHBondContact O-CA 3.2Å; Q58-A111 VanDerWaalsContact O-CB 3.31Å; Q58-A111 WeakPolarHBondContact O-CB 3.36Å; Q58-L112 HydrophobicContact CB-CB 4.49Å; Q58-L112 PolarHBondContact N-O 2.84Å; Q58-L112 PolarHBondContact O-N 2.91Å; Q58-Y114 HydrophobicContact CB-CE2 4.14Å
59	T	93.4	Very high	96	Very high	18 Å²	18	63.3 Å²	63.3	11%	0.11	31%	0.313	C	S	.	.			trans	-70.5	162.2	176.1	77.2	0	0	0	0	110.7	E61 K62 R63	T59-E61 WeakPolarHBondContact CB-OE2 3.27Å; T59-E61 PolarHBondContact O-N 2.96Å; T59-E61 VanDerWaalsContact O-N 3.15Å; T59-E61 PolarHBondContact OG1-N 3.28Å; T59-E61 PolarHBondContact OG1-OE2 3Å; T59-K62 WeakPolarHBondContact O-CA 3.34Å; T59-K62 PolarHBondContact O-N 2.94Å; T59-R63 HydrophobicContact CG2-CB 4.44Å; T59-R63 PolarHBondContact N-O 3.48Å; T59-R63 PolarHBondContact OG1-N 2.79Å
60	P	91.2	Very high	96.1	Very high	100 Å²	100	61.1 Å²	61.1	65%	0.649	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-30.5	174.4	-26.9	36.5	0	0	0	113.7	K62	P60-K62 PolarHBondContact O-N 2.76Å; P60-K62 VanDerWaalsContact O-N 3.16Å
61	E	92.3	Very high	96.1	Very high	150 Å²	150	58.4 Å²	58.4	70%	0.701	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	8.6	174.3	-52.3	72.1	-154.5	0	0	113	T59 R63	T59-E61 WeakPolarHBondContact CB-OE2 3.27Å; T59-E61 PolarHBondContact O-N 2.96Å; T59-E61 VanDerWaalsContact O-N 3.15Å; T59-E61 PolarHBondContact OG1-N 3.28Å; T59-E61 PolarHBondContact OG1-OE2 3Å; E61-R63 PolarHBondContact O-N 2.79Å
62	K	86.3	Confident	96.1	Very high	163 Å²	163	54.5 Å²	54.5	71%	0.709	27%	0.266	S	S	*	.			trans	65.5	15.3	179.8	-55.2	-179.1	178.1	178.9	0	115.1	T59 P60	T59-K62 WeakPolarHBondContact O-CA 3.34Å; T59-K62 PolarHBondContact O-N 2.94Å; P60-K62 PolarHBondContact O-N 2.76Å; P60-K62 VanDerWaalsContact O-N 3.16Å
63	R	92.8	Very high	95.9	Very high	165 Å²	165	55 Å²	55	62%	0.623	28%	0.284	S	S	*	.			trans	-74.5	130.7	173.4	-175.5	-178.9	178.3	178.2	-1.8	110	Q58 T59 E61 E65	Q58-R63 WeakPolarHBondContact CA-O 3.41Å; T59-R63 HydrophobicContact CG2-CB 4.44Å; T59-R63 PolarHBondContact N-O 3.48Å; T59-R63 PolarHBondContact OG1-N 2.79Å; E61-R63 PolarHBondContact O-N 2.79Å; R63-E65 HydrophobicContact CG-CG 4.14Å; R63-E65 IonicContact CZ-OE1 3.39Å; R63-E65 IonicContact NE-OE1 3.32Å; R63-E65 PolarHBondContact NE-OE1 3.44Å; R63-E65 IonicContact NH1-OE1 3.58Å; R63-E65 IonicContact NH2-OE1 3.97Å
64	L	95.7	Very high	95.7	Very high	114 Å²	114	56.3 Å²	56.3	60%	0.597	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	133.5	171.3	-66.4	173.3	0	0	0	110.3	V56 R57 Q58	V56-L64 HydrophobicContact CG1-CB 4.42Å; V56-L64 HydrophobicContact CG1-CD2 4.15Å; R57-L64 WeakPolarHBondContact O-CA 3.34Å; Q58-L64 HydrophobicContact CB-CD2 3.8Å; Q58-L64 HydrophobicContact CG-CD2 3.94Å
65	E	95.9	Very high	95.5	Very high	42 Å²	42	59.1 Å²	59.1	20%	0.196	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	131.8	178.5	-61.5	-174.2	157.7	0	0	110.3	V56 R57 R63	V56-E65 CarbonylContact C-O 3.48Å; V56-E65 WeakPolarHBondContact CA-O 3.14Å; R57-E65 HydrophobicContact CG-CB 4.02Å; R57-E65 IonicContact CZ-OE2 3.34Å; R57-E65 PolarHBondContact N-O 2.89Å; R57-E65 IonicContact NE-OE2 2.67Å; R57-E65 PolarHBondContact NE-OE2 2.73Å; R57-E65 IonicContact NH2-OE2 2.78Å; R57-E65 PolarHBondContact NH2-OE2 3.16Å; R57-E65 PolarHBondContact O-N 3.44Å; R63-E65 HydrophobicContact CG-CG 4.14Å; R63-E65 IonicContact CZ-OE1 3.39Å; R63-E65 IonicContact NE-OE1 3.32Å; R63-E65 PolarHBondContact NE-OE1 3.44Å; R63-E65 IonicContact NH1-OE1 3.58Å; R63-E65 IonicContact NH2-OE1 3.97Å
66	W	96.8	Very high	95.4	Very high	152 Å²	152	65 Å²	65	58%	0.576	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.5	133.9	168.5	-69.9	103.3	0	0	0	109.6	V56 P80	V56-W66 HydrophobicContact CG2-CD2 4.12Å; V56-W66 HydrophobicContact CG2-CE3 3.44Å; V56-W66 VanDerWaalsContact CG2-CE3 3.44Å; V56-W66 HydrophobicContact CG2-CH2 3.97Å; V56-W66 HydrophobicContact CG2-CZ3 3.31Å; W66-P80 WeakPolarHBondContact O-CG 3.4Å
67	V	98.1	Very high	95.4	Very high	1 Å²	1	67.4 Å²	67.4	1%	0.006	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	-48.4	-176.8	178.1	0	0	0	0	111.2	W55 R57 P80 V83 F87 L100 Y113	W55-V67 HydrophobicContact CB-CB 4.09Å; W55-V67 WeakPolarHBondContact O-CB 3.41Å; W55-V67 PolarHBondContact O-N 2.82Å; R57-V67 HydrophobicContact CB-CG2 3.71Å; R57-V67 HydrophobicContact CG-CG2 3.55Å; V67-P80 WeakPolarHBondContact O-CD 3.35Å; V67-V83 HydrophobicContact CG1-CG2 4.4Å; V67-V83 VanDerWaalsContact O-CG2 3.27Å; V67-V83 WeakPolarHBondContact O-CG2 3.39Å; V67-F87 HydrophobicContact CG1-CD2 3.53Å; V67-F87 HydrophobicContact CG1-CE2 3.91Å; V67-L100 HydrophobicContact CG1-CD1 4.39Å; V67-L100 HydrophobicContact CG1-CD2 3.92Å; V67-Y113 HydrophobicContact CG1-CE1 4.21Å; V67-Y113 HydrophobicContact CG2-CD1 4.31Å; V67-Y113 HydrophobicContact CG2-CE1 3.94Å
68	A	98.5	Very high	95.5	Very high	1 Å²	1	74 Å²	74	1%	0.008	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	149.9	178.6	0	0	0	0	0	110	S54 W55 Y78 Y79 I89 L100	S54-A68 CarbonylContact C-O 3.45Å; S54-A68 WeakPolarHBondContact CA-O 3.48Å; W55-A68 PolarHBondContact N-O 2.74Å; W55-A68 PolarHBondContact O-N 3.29Å; A68-Y78 WeakPolarHBondContact CA-O 3.41Å; A68-Y79 HydrophobicContact CB-CD1 3.6Å; A68-Y79 HydrophobicContact CB-CE1 3.58Å; A68-I89 HydrophobicContact CB-CB 3.71Å; A68-I89 HydrophobicContact CB-CD1 3.97Å; A68-I89 HydrophobicContact CB-CG1 4.39Å; A68-I89 HydrophobicContact CB-CG2 3.92Å; A68-L100 HydrophobicContact CB-CD1 4.07Å
69	T	98.5	Very high	95.5	Very high	29 Å²	29	73.3 Å²	73.3	18%	0.178	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	142.8	178.6	-62.3	0	0	0	0	109.7	T52 M53 S54 T77 Y78	T52-T69 HydrophobicContact CG2-CG2 3.26Å; M53-T69 WeakPolarHBondContact O-CA 3.45Å; S54-T69 WeakPolarHBondContact OG-CB 3.42Å; S54-T69 VanDerWaalsContact OG-CG2 3.29Å; S54-T69 WeakPolarHBondContact OG-CG2 2.96Å; S54-T69 PolarHBondContact OG-OG1 3.36Å; T69-T77 CarbonylContact O-C 3.47Å; T69-T77 WeakPolarHBondContact O-CA 3.4Å; T69-Y78 PolarHBondContact N-O 2.97Å; T69-Y78 PolarHBondContact O-N 3.15Å
70	I	98.6	Very high	95.7	Very high	8 Å²	8	73.8 Å²	73.8	4%	0.041	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	133.7	177	-171	162.7	0	0	0	110.9	T52 M53 N76 T77 I89 R91 L98	T52-I70 WeakPolarHBondContact CA-O 3.34Å; T52-I70 WeakPolarHBondContact CG2-O 3Å; M53-I70 HydrophobicContact CB-CG2 4.39Å; M53-I70 PolarHBondContact N-O 3.28Å; M53-I70 PolarHBondContact O-N 3.46Å; I70-N76 WeakPolarHBondContact CA-O 3.28Å; I70-T77 HydrophobicContact CB-CG2 4.2Å; I70-T77 HydrophobicContact CD1-CG2 3.89Å; I70-T77 HydrophobicContact CG1-CG2 3.86Å; I70-I89 HydrophobicContact CB-CD1 4.03Å; I70-I89 HydrophobicContact CB-CG1 4.22Å; I70-I89 HydrophobicContact CB-CG2 3.96Å; I70-I89 HydrophobicContact CG2-CD1 3.66Å; I70-I89 HydrophobicContact CG2-CG1 3.92Å; I70-R91 HydrophobicContact CD1-CB 4.39Å; I70-R91 HydrophobicContact CD1-CG 3.82Å; I70-R91 HydrophobicContact CG1-CG 4.43Å; I70-R91 HydrophobicContact CG2-CB 4.47Å; I70-L98 HydrophobicContact CG2-CD1 3.55Å
71	S	98	Very high	96	Very high	29 Å²	29	75.7 Å²	75.7	20%	0.203	40%	0.403	C	S	.	.			trans	-67.9	161.8	179.7	67.3	0	0	0	0	112.9	G73 G74 G75 N76 R91	S71-G73 VanDerWaalsContact C-N 3.32Å; S71-G73 PolarHBondContact O-N 3.32Å; S71-G74 PolarHBondContact O-N 3.35Å; S71-G75 PolarHBondContact OG-N 3.25Å; S71-N76 PolarHBondContact N-O 2.85Å; S71-N76 PolarHBondContact OG-N 3.28Å; S71-N76 VanDerWaalsContact OG-N 3.16Å; S71-R91 VanDerWaalsContact C-NH1 3.32Å; S71-R91 WeakPolarHBondContact O-CD 3.34Å; S71-R91 PolarHBondContact O-NH1 2.88Å
72	G	97	Very high	96.1	Very high	11 Å²	11	71.4 Å²	71.4	11%	0.113	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-42.9	-50.7	175.8	0	0	0	0	0	115.1	S49 Y51 G74 R91 N93	S49-G72 CarbonylContact O-C 3.23Å; S49-G72 VanDerWaalsContact O-C 3.23Å; S49-G72 WeakPolarHBondContact O-CA 3.48Å; Y51-G72 WeakPolarHBondContact O-CA 3.2Å; G72-G74 VanDerWaalsContact C-N 3.31Å; G72-G74 PolarHBondContact O-N 3.08Å; G72-R91 PolarHBondContact O-NE 2.01Å; G72-R91 PolarHBondContact O-NH1 3.04Å; G72-R91 VanDerWaalsContact O-NH1 3.11Å; G72-R91 PolarHBondContact O-NH2 2.81Å; G72-N93 PolarHBondContact O-ND2 2.94Å
73	G	92.9	Very high	96.6	Very high	74 Å²	74	63.7 Å²	63.7	76%	0.763	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-4	178.8	0	0	0	0	0	115	S71 G75	S71-G73 VanDerWaalsContact C-N 3.32Å; S71-G73 PolarHBondContact O-N 3.32Å; G73-G75 PolarHBondContact O-N 2.95Å
74	G	94.5	Very high	96.8	Very high	29 Å²	29	62.3 Å²	62.3	30%	0.299	36%	0.355	S	S	.	.	S	Bend	trans	77.9	-1.8	-177.7	0	0	0	0	0	115.5	S71 G72	S71-G74 PolarHBondContact O-N 3.35Å; G72-G74 VanDerWaalsContact C-N 3.31Å; G72-G74 PolarHBondContact O-N 3.08Å
75	G	93.6	Very high	96.9	Very high	65 Å²	65	60.7 Å²	60.7	67%	0.67	37%	0.365	S	S	*	.			trans	-75.9	-26.5	-173.6	0	0	0	0	0	115.2	S71 G73	S71-G75 PolarHBondContact OG-N 3.25Å; G73-G75 PolarHBondContact O-N 2.95Å
76	N	97.2	Very high	97	Very high	123 Å²	123	59.9 Å²	59.9	66%	0.658	36%	0.361	S	S	*	.			trans	-120.3	130.2	-177.6	-65.9	-17.3	0	0	0	110.1	I70 S71	I70-N76 WeakPolarHBondContact CA-O 3.28Å; S71-N76 PolarHBondContact N-O 2.85Å; S71-N76 PolarHBondContact OG-N 3.28Å; S71-N76 VanDerWaalsContact OG-N 3.16Å
77	T	98.4	Very high	97	Very high	70 Å²	70	52.8 Å²	52.8	43%	0.429	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	141.8	174	58.9	0	0	0	0	111.4	T69 I70 I89	T69-T77 CarbonylContact O-C 3.47Å; T69-T77 WeakPolarHBondContact O-CA 3.4Å; I70-T77 HydrophobicContact CB-CG2 4.2Å; I70-T77 HydrophobicContact CD1-CG2 3.89Å; I70-T77 HydrophobicContact CG1-CG2 3.86Å; T77-I89 HydrophobicContact CG2-CG2 3.86Å
78	Y	98.1	Very high	97	Very high	153 Å²	153	56.4 Å²	56.4	60%	0.6	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.1	141.6	175.4	177.1	-95.5	0	0	0	110.8	A68 T69	A68-Y78 WeakPolarHBondContact CA-O 3.41Å; T69-Y78 PolarHBondContact N-O 2.97Å; T69-Y78 PolarHBondContact O-N 3.15Å
79	Y	98.4	Very high	97	Very high	43 Å²	43	56.6 Å²	56.6	17%	0.169	36%	0.357	C	S	.	.			trans	-140.5	138.7	177.9	-54.9	-88	0	0	0	109.6	A68 T88 I89	A68-Y79 HydrophobicContact CB-CD1 3.6Å; A68-Y79 HydrophobicContact CB-CE1 3.58Å; Y79-T88 WeakPolarHBondContact OH-CA 3.45Å; Y79-I89 HydrophobicContact CE1-CB 4.33Å; Y79-I89 HydrophobicContact CE1-CG2 3.94Å; Y79-I89 WeakPolarHBondContact OH-CG2 3.41Å; Y79-I89 PolarHBondContact OH-N 2.99Å
80	P	97.4	Very high	97	Very high	27 Å²	27	57.7 Å²	57.7	18%	0.175	37%	0.365	C	S	.	.			trans	-72.5	157.5	166.6	34.8	-36.1	0	0	0	110.8	W66 V67 S82 V83 K84	W66-P80 WeakPolarHBondContact O-CG 3.4Å; V67-P80 WeakPolarHBondContact O-CD 3.35Å; P80-S82 PolarHBondContact O-N 3.2Å; P80-S82 VanDerWaalsContact O-N 3.11Å; P80-V83 HydrophobicContact CG-CG2 3.94Å; P80-V83 PolarHBondContact O-N 3.16Å; P80-K84 WeakPolarHBondContact O-CB 3.49Å; P80-K84 PolarHBondContact O-N 3Å; P80-K84 VanDerWaalsContact O-N 3.08Å
81	D	96.7	Very high	97	Very high	140 Å²	140	58.9 Å²	58.9	75%	0.749	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-26.3	-177.3	-65.7	-32.7	0	0	0	113.5	V83	D81-V83 PolarHBondContact O-N 2.89Å
82	S	94.9	Very high	97	Very high	61 Å²	61	59.6 Å²	59.6	43%	0.427	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-28.7	179.5	56.2	0	0	0	0	114	P80 R86	P80-S82 PolarHBondContact O-N 3.2Å; P80-S82 VanDerWaalsContact O-N 3.11Å; S82-R86 PolarHBondContact O-NH2 2.78Å
83	V	97.4	Very high	97	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.8	-7.6	-177	-53.3	0	0	0	0	113.6	V67 P80 D81 G85 R86 F87	V67-V83 HydrophobicContact CG1-CG2 4.4Å; V67-V83 VanDerWaalsContact O-CG2 3.27Å; V67-V83 WeakPolarHBondContact O-CG2 3.39Å; P80-V83 HydrophobicContact CG-CG2 3.94Å; P80-V83 PolarHBondContact O-N 3.16Å; D81-V83 PolarHBondContact O-N 2.89Å; V83-G85 PolarHBondContact O-N 2.78Å; V83-R86 PolarHBondContact O-N 2.86Å; V83-F87 HydrophobicContact CB-CB 4.12Å; V83-F87 HydrophobicContact CB-CD1 4.41Å; V83-F87 HydrophobicContact CB-CD2 3.63Å; V83-F87 HydrophobicContact CB-CE2 4.08Å; V83-F87 HydrophobicContact CB-CG 3.8Å; V83-F87 HydrophobicContact CG1-CD2 3.72Å; V83-F87 HydrophobicContact CG1-CE2 3.67Å; V83-F87 HydrophobicContact CG1-CG 4.33Å; V83-F87 HydrophobicContact CG1-CZ 4.22Å; V83-F87 HydrophobicContact CG2-CB 4.27Å; V83-F87 HydrophobicContact CG2-CD2 4.1Å; V83-F87 HydrophobicContact CG2-CG 4.38Å; V83-F87 PolarHBondContact O-N 2.84Å
84	K	96.7	Very high	97.2	Very high	137 Å²	137	63 Å²	63	60%	0.596	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	130.8	-179.7	-169.1	173	-176.5	177.5	0	110.8	P80 R86	P80-K84 WeakPolarHBondContact O-CB 3.49Å; P80-K84 PolarHBondContact O-N 3Å; P80-K84 VanDerWaalsContact O-N 3.08Å; K84-R86 PolarHBondContact O-N 2.98Å
85	G	97	Very high	97.3	Very high	79 Å²	79	68.2 Å²	68.2	81%	0.814	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	-7.3	-177.1	0	0	0	0	0	115.3	V83	V83-G85 PolarHBondContact O-N 2.78Å
86	R	97.5	Very high	97.5	Very high	26 Å²	26	68 Å²	68	10%	0.098	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108	-37.8	175.3	-61.4	-169.5	-57.7	110.1	-0.8	112	S82 V83 K84 S103 S104 D109	S82-R86 PolarHBondContact O-NH2 2.78Å; V83-R86 PolarHBondContact O-N 2.86Å; K84-R86 PolarHBondContact O-N 2.98Å; R86-S103 PolarHBondContact O-N 3.33Å; R86-S103 PolarHBondContact O-OG 3.4Å; R86-S104 PolarHBondContact NH1-O 3.46Å; R86-S104 VanDerWaalsContact NH1-O 3.09Å; R86-D109 IonicContact CZ-OD1 3.08Å; R86-D109 IonicContact CZ-OD2 3.83Å; R86-D109 IonicContact NH1-OD1 3.33Å; R86-D109 IonicContact NH1-OD2 3.73Å; R86-D109 PolarHBondContact NH1-OD2 3.11Å; R86-D109 IonicContact NH2-OD1 3.64Å; R86-D109 PolarHBondContact NH2-OD1 3.32Å; R86-D109 IonicContact NH2-OD2 2.97Å; R86-D109 PolarHBondContact NH2-OD2 3.15Å
87	F	98.3	Very high	97.6	Very high	3 Å²	3	63 Å²	63	1%	0.013	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	150.6	-178.3	-66.1	7.9	0	0	0	110.7	V67 V83 L100 Q101 M102 L105 D109 Y113	V67-F87 HydrophobicContact CG1-CD2 3.53Å; V67-F87 HydrophobicContact CG1-CE2 3.91Å; V83-F87 HydrophobicContact CB-CB 4.12Å; V83-F87 HydrophobicContact CB-CD1 4.41Å; V83-F87 HydrophobicContact CB-CD2 3.63Å; V83-F87 HydrophobicContact CB-CE2 4.08Å; V83-F87 HydrophobicContact CB-CG 3.8Å; V83-F87 HydrophobicContact CG1-CD2 3.72Å; V83-F87 HydrophobicContact CG1-CE2 3.67Å; V83-F87 HydrophobicContact CG1-CG 4.33Å; V83-F87 HydrophobicContact CG1-CZ 4.22Å; V83-F87 HydrophobicContact CG2-CB 4.27Å; V83-F87 HydrophobicContact CG2-CD2 4.1Å; V83-F87 HydrophobicContact CG2-CG 4.38Å; V83-F87 PolarHBondContact O-N 2.84Å; F87-L100 HydrophobicContact CB-CD1 4.27Å; F87-L100 HydrophobicContact CD2-CD2 4.32Å; F87-Q101 CarbonylContact C-O 3.6Å; F87-Q101 VanDerWaalsContact CA-O 3.25Å; F87-Q101 WeakPolarHBondContact CA-O 3.42Å; F87-M102 HydrophobicContact CD1-CB 3.71Å; F87-M102 HydrophobicContact CD1-CG 3.76Å; F87-M102 HydrophobicContact CD2-CG 3.93Å; F87-M102 HydrophobicContact CD2-SD 4.23Å; F87-M102 HydrophobicContact CE1-CB 3.64Å; F87-M102 HydrophobicContact CE1-CG 3.81Å; F87-M102 HydrophobicContact CE1-SD 4.26Å; F87-M102 HydrophobicContact CE2-CG 3.95Å; F87-M102 HydrophobicContact CE2-SD 3.74Å; F87-M102 HydrophobicContact CG-CB 4.31Å; F87-M102 HydrophobicContact CG-CG 3.86Å; F87-M102 HydrophobicContact CZ-CB 4.15Å; F87-M102 HydrophobicContact CZ-CG 3.9Å; F87-M102 HydrophobicContact CZ-SD 3.76Å; F87-L105 HydrophobicContact CE1-CD2 3.86Å; F87-L105 HydrophobicContact CZ-CD2 3.87Å; F87-D109 HydrophobicContact CZ-CB 4.01Å; F87-Y113 HydrophobicContact CE2-CE1 4.36Å
88	T	98.3	Very high	97.6	Very high	76 Å²	76	59.7 Å²	59.7	47%	0.466	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	117.4	179.1	-57.7	0	0	0	0	109.7	Y79 Q101	Y79-T88 WeakPolarHBondContact OH-CA 3.45Å; T88-Q101 PolarHBondContact N-O 2.95Å; T88-Q101 PolarHBondContact O-N 2.81Å
89	I	98.6	Very high	97.6	Very high	6 Å²	6	54.4 Å²	54.4	3%	0.031	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	138.2	172.4	-167.3	168.5	0	0	0	109.4	A68 I70 T77 Y79 L98 Y99 L100	A68-I89 HydrophobicContact CB-CB 3.71Å; A68-I89 HydrophobicContact CB-CD1 3.97Å; A68-I89 HydrophobicContact CB-CG1 4.39Å; A68-I89 HydrophobicContact CB-CG2 3.92Å; I70-I89 HydrophobicContact CB-CD1 4.03Å; I70-I89 HydrophobicContact CB-CG1 4.22Å; I70-I89 HydrophobicContact CB-CG2 3.96Å; I70-I89 HydrophobicContact CG2-CD1 3.66Å; I70-I89 HydrophobicContact CG2-CG1 3.92Å; T77-I89 HydrophobicContact CG2-CG2 3.86Å; Y79-I89 HydrophobicContact CE1-CB 4.33Å; Y79-I89 HydrophobicContact CE1-CG2 3.94Å; Y79-I89 WeakPolarHBondContact OH-CG2 3.41Å; Y79-I89 PolarHBondContact OH-N 2.99Å; I89-L98 HydrophobicContact CD1-CD1 3.97Å; I89-L98 HydrophobicContact CD1-CD2 4.34Å; I89-L98 HydrophobicContact CD1-CG 4.39Å; I89-L98 HydrophobicContact CG1-CD1 3.98Å; I89-L98 HydrophobicContact CG1-CG 4.42Å; I89-Y99 WeakPolarHBondContact CA-O 3.4Å; I89-L100 HydrophobicContact CB-CD1 4.42Å
90	S	98.2	Very high	97.6	Very high	51 Å²	51	52.4 Å²	52.4	36%	0.357	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	162.4	172	56.3	0	0	0	0	109.8	Y99	S90-Y99 PolarHBondContact N-O 3.44Å; S90-Y99 PolarHBondContact O-N 2.88Å
91	R	97.9	Very high	97.7	Very high	34 Å²	34	54.9 Å²	54.9	13%	0.128	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	148.3	-177.4	65.7	-178.2	-66.9	155.5	6.6	110.9	F48 Y51 I70 S71 G72 N93 T97 L98	F48-R91 VanDerWaalsContact C-NH2 3.31Å; F48-R91 HydrophobicContact CE1-CB 4.19Å; F48-R91 VanDerWaalsContact CE1-NH2 3.28Å; F48-R91 HydrophobicContact CZ-CB 4.27Å; F48-R91 PolarHBondContact O-NH2 2.83Å; Y51-R91 PolarHBondContact O-NH1 3.22Å; I70-R91 HydrophobicContact CD1-CB 4.39Å; I70-R91 HydrophobicContact CD1-CG 3.82Å; I70-R91 HydrophobicContact CG1-CG 4.43Å; I70-R91 HydrophobicContact CG2-CB 4.47Å; S71-R91 VanDerWaalsContact C-NH1 3.32Å; S71-R91 WeakPolarHBondContact O-CD 3.34Å; S71-R91 PolarHBondContact O-NH1 2.88Å; G72-R91 PolarHBondContact O-NE 2.01Å; G72-R91 PolarHBondContact O-NH1 3.04Å; G72-R91 VanDerWaalsContact O-NH1 3.11Å; G72-R91 PolarHBondContact O-NH2 2.81Å; R91-N93 PolarHBondContact NE-OD1 3.05Å; R91-N93 PolarHBondContact NH2-OD1 2.95Å; R91-T97 WeakPolarHBondContact CA-O 3.45Å; R91-L98 HydrophobicContact CB-CD1 4.08Å
92	D	97.7	Very high	97.7	Very high	43 Å²	43	48.4 Å²	48.4	23%	0.23	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	106.4	171.8	-176.6	-23	0	0	0	108.4	A94 K95 N96 T97 Y99	D92-A94 VanDerWaalsContact C-N 3.34Å; D92-A94 WeakPolarHBondContact OD1-CB 3.39Å; D92-A94 PolarHBondContact OD1-N 2.87Å; D92-K95 HydrophobicContact CB-CB 4.27Å; D92-K95 PolarHBondContact O-N 2.84Å; D92-K95 PolarHBondContact OD1-N 3.32Å; D92-K95 WeakPolarHBondContact OD2-CD 3.45Å; D92-K95 VanDerWaalsContact OD2-CE 3.28Å; D92-K95 WeakPolarHBondContact OD2-CE 3.35Å; D92-K95 WeakPolarHBondContact OD2-CG 3.12Å; D92-K95 IonicContact OD2-NZ 3.45Å; D92-N96 WeakPolarHBondContact O-CA 3.27Å; D92-N96 PolarHBondContact O-N 3.11Å; D92-T97 PolarHBondContact N-O 2.85Å; D92-T97 PolarHBondContact O-N 3.45Å; D92-Y99 HydrophobicContact CB-CE2 3.98Å
93	N	97.3	Very high	97.8	Very high	60 Å²	60	47.5 Å²	47.5	32%	0.321	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-23.4	-178.6	-75	-13	0	0	0	113.1	F48 G72 R91 K95 N96	F48-N93 VanDerWaalsContact CD1-OD1 3.27Å; F48-N93 WeakPolarHBondContact CD1-OD1 3.17Å; F48-N93 WeakPolarHBondContact CE1-OD1 3.31Å; G72-N93 PolarHBondContact O-ND2 2.94Å; R91-N93 PolarHBondContact NE-OD1 3.05Å; R91-N93 PolarHBondContact NH2-OD1 2.95Å; N93-K95 VanDerWaalsContact C-N 3.34Å; N93-N96 PolarHBondContact O-OD1 2.87Å
94	A	97	Very high	97.8	Very high	98 Å²	98	50.7 Å²	50.7	81%	0.81	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-31.3	175.8	0	0	0	0	0	111.2	D92	D92-A94 VanDerWaalsContact C-N 3.34Å; D92-A94 WeakPolarHBondContact OD1-CB 3.39Å; D92-A94 PolarHBondContact OD1-N 2.87Å
95	K	97.4	Very high	97.9	Very high	138 Å²	138	44.9 Å²	44.9	60%	0.6	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	1.2	178.3	-60.1	-177.8	-166.6	165	0	114.2	D92 N93 T97	D92-K95 HydrophobicContact CB-CB 4.27Å; D92-K95 PolarHBondContact O-N 2.84Å; D92-K95 PolarHBondContact OD1-N 3.32Å; D92-K95 WeakPolarHBondContact OD2-CD 3.45Å; D92-K95 VanDerWaalsContact OD2-CE 3.28Å; D92-K95 WeakPolarHBondContact OD2-CE 3.35Å; D92-K95 WeakPolarHBondContact OD2-CG 3.12Å; D92-K95 IonicContact OD2-NZ 3.45Å; N93-K95 VanDerWaalsContact C-N 3.34Å; K95-T97 PolarHBondContact O-N 2.78Å; K95-T97 VanDerWaalsContact O-N 3.16Å; K95-T97 PolarHBondContact O-OG1 2.96Å
96	N	97.5	Very high	97.8	Very high	61 Å²	61	47.9 Å²	47.9	33%	0.326	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.4	43.3	-171.7	-59.7	-37	0	0	0	112.9	A43 F48 D92 N93	A43-N96 PolarHBondContact N-O 2.99Å; A43-N96 WeakPolarHBondContact O-CB 3.19Å; F48-N96 HydrophobicContact CB-CB 4Å; F48-N96 VanDerWaalsContact CB-OD1 3.31Å; F48-N96 WeakPolarHBondContact CB-OD1 3.31Å; F48-N96 HydrophobicContact CD1-CB 4.32Å; F48-N96 HydrophobicContact CG-CB 4.13Å; D92-N96 WeakPolarHBondContact O-CA 3.27Å; D92-N96 PolarHBondContact O-N 3.11Å; N93-N96 PolarHBondContact O-OD1 2.87Å
97	T	98.4	Very high	97.6	Very high	17 Å²	17	50.4 Å²	50.4	10%	0.104	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	129.1	-173.4	-53.5	0	0	0	0	111.2	C41 R91 D92 K95 Y99	C41-T97 CarbonylContact O-C 3.58Å; C41-T97 WeakPolarHBondContact O-CA 3.22Å; R91-T97 WeakPolarHBondContact CA-O 3.45Å; D92-T97 PolarHBondContact N-O 2.85Å; D92-T97 PolarHBondContact O-N 3.45Å; K95-T97 PolarHBondContact O-N 2.78Å; K95-T97 VanDerWaalsContact O-N 3.16Å; K95-T97 PolarHBondContact O-OG1 2.96Å; T97-Y99 HydrophobicContact CG2-CD1 4.14Å; T97-Y99 HydrophobicContact CG2-CD2 4.48Å; T97-Y99 HydrophobicContact CG2-CE1 3.52Å; T97-Y99 HydrophobicContact CG2-CE2 3.89Å
98	L	98.6	Very high	97.4	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	139.6	171.2	-169.8	72	0	0	0	109.6	S40 C41 F48 M53 W55 I70 I89 R91 C115	S40-L98 CarbonylContact C-O 3.59Å; S40-L98 VanDerWaalsContact CA-O 3.29Å; S40-L98 WeakPolarHBondContact CA-O 3.34Å; C41-L98 HydrophobicContact CB-CB 4.18Å; C41-L98 PolarHBondContact N-O 2.81Å; C41-L98 PolarHBondContact O-N 3.23Å; F48-L98 HydrophobicContact CE2-CB 4.44Å; F48-L98 HydrophobicContact CZ-CB 4.17Å; M53-L98 HydrophobicContact CB-CD1 3.82Å; M53-L98 HydrophobicContact CB-CD2 3.93Å; M53-L98 HydrophobicContact CB-CG 4.43Å; W55-L98 HydrophobicContact CG-CD2 4.38Å; W55-L98 VanDerWaalsContact NE1-CD2 3.35Å; I70-L98 HydrophobicContact CG2-CD1 3.55Å; I89-L98 HydrophobicContact CD1-CD1 3.97Å; I89-L98 HydrophobicContact CD1-CD2 4.34Å; I89-L98 HydrophobicContact CD1-CG 4.39Å; I89-L98 HydrophobicContact CG1-CD1 3.98Å; I89-L98 HydrophobicContact CG1-CG 4.42Å; R91-L98 HydrophobicContact CB-CD1 4.08Å; L98-C115 HydrophobicContact CD2-CB 4.03Å
99	Y	98.6	Very high	97.3	Very high	43 Å²	43	52.6 Å²	52.6	17%	0.169	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	146.1	178.1	-56.1	-79.5	0	0	0	111.3	K38 L39 I89 S90 D92 T97	K38-Y99 VanDerWaalsContact CE-CD1 3.47Å; L39-Y99 VanDerWaalsContact O-CA 3.28Å; L39-Y99 WeakPolarHBondContact O-CA 3.48Å; I89-Y99 WeakPolarHBondContact CA-O 3.4Å; S90-Y99 PolarHBondContact N-O 3.44Å; S90-Y99 PolarHBondContact O-N 2.88Å; D92-Y99 HydrophobicContact CB-CE2 3.98Å; T97-Y99 HydrophobicContact CG2-CD1 4.14Å; T97-Y99 HydrophobicContact CG2-CD2 4.48Å; T97-Y99 HydrophobicContact CG2-CE1 3.52Å; T97-Y99 HydrophobicContact CG2-CE2 3.89Å
100	L	98.7	Very high	97.1	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	108.3	168.1	-172.2	68	0	0	0	108.9	K38 L39 W55 V67 A68 F87 I89 M102 Y113	K38-L100 WeakPolarHBondContact CA-O 3.46Å; L39-L100 HydrophobicContact CB-CB 4.18Å; L39-L100 HydrophobicContact CD1-CD2 4.19Å; L39-L100 PolarHBondContact N-O 2.82Å; L39-L100 PolarHBondContact O-N 2.86Å; W55-L100 HydrophobicContact CB-CD2 4.21Å; W55-L100 HydrophobicContact CD2-CB 4.18Å; W55-L100 HydrophobicContact CD2-CD2 4.34Å; W55-L100 HydrophobicContact CG-CB 4.11Å; W55-L100 HydrophobicContact CG-CD1 4.44Å; W55-L100 HydrophobicContact CG-CD2 4.03Å; W55-L100 HydrophobicContact CG-CG 4.43Å; W55-L100 HydrophobicContact CZ2-CB 4.46Å; V67-L100 HydrophobicContact CG1-CD1 4.39Å; V67-L100 HydrophobicContact CG1-CD2 3.92Å; A68-L100 HydrophobicContact CB-CD1 4.07Å; F87-L100 HydrophobicContact CB-CD1 4.27Å; F87-L100 HydrophobicContact CD2-CD2 4.32Å; I89-L100 HydrophobicContact CB-CD1 4.42Å; L100-M102 HydrophobicContact CD2-CG 3.96Å; L100-M102 HydrophobicContact CD2-SD 3.76Å; L100-M102 HydrophobicContact CG-CG 3.87Å; L100-M102 HydrophobicContact CG-SD 4.32Å; L100-Y113 HydrophobicContact CD2-CD1 4.02Å; L100-Y113 HydrophobicContact CD2-CE1 4.1Å
101	Q	98.3	Very high	97	Very high	80 Å²	80	55.7 Å²	55.7	37%	0.374	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	124.5	170.7	-173.2	65.2	35.8	0	0	108.5	F87 T88	F87-Q101 CarbonylContact C-O 3.6Å; F87-Q101 VanDerWaalsContact CA-O 3.25Å; F87-Q101 WeakPolarHBondContact CA-O 3.42Å; T88-Q101 PolarHBondContact N-O 2.95Å; T88-Q101 PolarHBondContact O-N 2.81Å
102	M	98.2	Very high	97	Very high	3 Å²	3	59 Å²	59	2%	0.015	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	128.8	-179.5	-58.4	-177.9	-64.8	0	0	109	S36 L37 L39 F87 L100 L105 Y113	S36-M102 CarbonylContact C-O 3.59Å; S36-M102 WeakPolarHBondContact CA-O 3.46Å; S36-M102 VanDerWaalsContact CB-O 3.23Å; S36-M102 WeakPolarHBondContact CB-O 3.3Å; L37-M102 HydrophobicContact CB-CE 3.56Å; L37-M102 HydrophobicContact CD1-CE 4.21Å; L37-M102 PolarHBondContact N-O 3.29Å; L37-M102 PolarHBondContact O-N 3.28Å; L39-M102 HydrophobicContact CD1-CE 3.86Å; L39-M102 HydrophobicContact CD1-SD 4.37Å; L39-M102 HydrophobicContact CD2-CE 3.93Å; L39-M102 HydrophobicContact CG-CE 3.63Å; F87-M102 HydrophobicContact CD1-CB 3.71Å; F87-M102 HydrophobicContact CD1-CG 3.76Å; F87-M102 HydrophobicContact CD2-CG 3.93Å; F87-M102 HydrophobicContact CD2-SD 4.23Å; F87-M102 HydrophobicContact CE1-CB 3.64Å; F87-M102 HydrophobicContact CE1-CG 3.81Å; F87-M102 HydrophobicContact CE1-SD 4.26Å; F87-M102 HydrophobicContact CE2-CG 3.95Å; F87-M102 HydrophobicContact CE2-SD 3.74Å; F87-M102 HydrophobicContact CG-CB 4.31Å; F87-M102 HydrophobicContact CG-CG 3.86Å; F87-M102 HydrophobicContact CZ-CB 4.15Å; F87-M102 HydrophobicContact CZ-CG 3.9Å; F87-M102 HydrophobicContact CZ-SD 3.76Å; L100-M102 HydrophobicContact CD2-CG 3.96Å; L100-M102 HydrophobicContact CD2-SD 3.76Å; L100-M102 HydrophobicContact CG-CG 3.87Å; L100-M102 HydrophobicContact CG-SD 4.32Å; M102-L105 HydrophobicContact CB-CD1 4.39Å; M102-L105 HydrophobicContact CB-CD2 3.96Å; M102-L105 HydrophobicContact CB-CG 4.23Å; M102-L105 HydrophobicContact SD-CD2 4.27Å; M102-Y113 HydrophobicContact SD-CE1 4.09Å
103	S	97.1	Very high	97	Very high	42 Å²	42	58.5 Å²	58.5	29%	0.294	32%	0.32	S	S	.	.			trans	-126.6	160.6	175.3	65.7	0	0	0	0	110.7	R86 L105	R86-S103 PolarHBondContact O-N 3.33Å; R86-S103 PolarHBondContact O-OG 3.4Å; S103-L105 PolarHBondContact O-N 2.94Å
104	S	96.9	Very high	97	Very high	68 Å²	68	60.1 Å²	60.1	48%	0.476	32%	0.322	S	S	.	.	S	Bend	trans	50	48.4	178.6	-58.8	0	0	0	0	111.5	G35 R86	G35-S104 PolarHBondContact O-N 2.89Å; R86-S104 PolarHBondContact NH1-O 3.46Å; R86-S104 VanDerWaalsContact NH1-O 3.09Å
105	L	97.4	Very high	97	Very high	14 Å²	14	55.9 Å²	55.9	7%	0.073	29%	0.286	C	S	.	.			trans	-61.7	137.4	-177.4	-80.8	163.8	0	0	0	110.9	V31 P33 G34 G35 L37 F87 M102 S103 D109	V31-L105 HydrophobicContact CG2-CD1 3.47Å; V31-L105 VanDerWaalsContact CG2-CD1 3.47Å; P33-L105 CarbonylContact C-O 3.58Å; P33-L105 WeakPolarHBondContact CA-O 3.1Å; G34-L105 PolarHBondContact N-O 3.37Å; G35-L105 PolarHBondContact O-N 3.44Å; G35-L105 VanDerWaalsContact O-N 3.13Å; L37-L105 HydrophobicContact CB-CD1 3.96Å; L37-L105 HydrophobicContact CD1-CD1 3.92Å; L37-L105 HydrophobicContact CG-CD1 3.89Å; F87-L105 HydrophobicContact CE1-CD2 3.86Å; F87-L105 HydrophobicContact CZ-CD2 3.87Å; M102-L105 HydrophobicContact CB-CD1 4.39Å; M102-L105 HydrophobicContact CB-CD2 3.96Å; M102-L105 HydrophobicContact CB-CG 4.23Å; M102-L105 HydrophobicContact SD-CD2 4.27Å; S103-L105 PolarHBondContact O-N 2.94Å; L105-D109 HydrophobicContact CD2-CB 3.68Å
106	R	95.9	Very high	97	Very high	142 Å²	142	50.6 Å²	50.6	54%	0.536	27%	0.268	S	S	.	.			trans	-112.6	166.7	178.6	-54	178.4	177.6	172.1	-1.8	110.4	E108 D109	R106-E108 WeakPolarHBondContact CB-OE2 2.94Å; R106-E108 PolarHBondContact O-N 2.74Å; R106-D109 PolarHBondContact N-OD2 2.91Å; R106-D109 WeakPolarHBondContact O-CB 3.44Å; R106-D109 PolarHBondContact O-N 2.78Å
107	S	93.7	Very high	96.8	Very high	80 Å²	80	54.1 Å²	54.1	56%	0.559	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-52.7	-39.6	172.2	25.6	0	0	0	0	111.9	D109 T110	S107-D109 PolarHBondContact O-N 3.28Å; S107-T110 VanDerWaalsContact O-CB 3.3Å; S107-T110 WeakPolarHBondContact O-CB 3.49Å; S107-T110 PolarHBondContact O-N 2.78Å; S107-T110 VanDerWaalsContact O-N 3.14Å; S107-T110 PolarHBondContact O-OG1 2.98Å
108	E	93.5	Very high	96.7	Very high	117 Å²	117	56 Å²	56	55%	0.547	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-69.6	-10.6	-178.9	-52.6	73.5	-127.5	0	0	113.5	R57 R106 T110	R57-E108 PolarHBondContact NH1-O 3.15Å; R106-E108 WeakPolarHBondContact CB-OE2 2.94Å; R106-E108 PolarHBondContact O-N 2.74Å; E108-T110 VanDerWaalsContact C-N 3.32Å
109	D	95.8	Very high	96.6	Very high	7 Å²	7	58.9 Å²	58.9	4%	0.037	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-87.7	-3.9	175.6	-58.9	-45.7	0	0	0	113.2	R57 R86 F87 L105 R106 S107 A111 Y113	R57-D109 IonicContact NH1-OD1 2.98Å; R57-D109 PolarHBondContact NH1-OD1 2.76Å; R57-D109 VanDerWaalsContact NH1-OD1 3.08Å; R86-D109 IonicContact CZ-OD1 3.08Å; R86-D109 IonicContact CZ-OD2 3.83Å; R86-D109 IonicContact NH1-OD1 3.33Å; R86-D109 IonicContact NH1-OD2 3.73Å; R86-D109 PolarHBondContact NH1-OD2 3.11Å; R86-D109 IonicContact NH2-OD1 3.64Å; R86-D109 PolarHBondContact NH2-OD1 3.32Å; R86-D109 IonicContact NH2-OD2 2.97Å; R86-D109 PolarHBondContact NH2-OD2 3.15Å; F87-D109 HydrophobicContact CZ-CB 4.01Å; L105-D109 HydrophobicContact CD2-CB 3.68Å; R106-D109 PolarHBondContact N-OD2 2.91Å; R106-D109 WeakPolarHBondContact O-CB 3.44Å; R106-D109 PolarHBondContact O-N 2.78Å; S107-D109 PolarHBondContact O-N 3.28Å; D109-A111 PolarHBondContact O-N 3.44Å; D109-A111 VanDerWaalsContact O-N 3.15Å; D109-Y113 WeakPolarHBondContact O-CE2 3.29Å; D109-Y113 PolarHBondContact O-OH 2.83Å
110	T	95.1	Very high	96.5	Very high	97 Å²	97	59.8 Å²	59.8	60%	0.595	31%	0.308	S	S	*	.			trans	-70.1	107.3	177.1	-52.3	0	0	0	0	109.8	S107 E108	S107-T110 VanDerWaalsContact O-CB 3.3Å; S107-T110 WeakPolarHBondContact O-CB 3.49Å; S107-T110 PolarHBondContact O-N 2.78Å; S107-T110 VanDerWaalsContact O-N 3.14Å; S107-T110 PolarHBondContact O-OG1 2.98Å; E108-T110 VanDerWaalsContact C-N 3.32Å
111	A	96.3	Very high	96.4	Very high	26 Å²	26	63.4 Å²	63.4	22%	0.215	33%	0.326	C	S	.	.	S	Bend	trans	-160.5	168.2	-176.5	0	0	0	0	0	110.5	R57 Q58 D109 Y113	R57-A111 HydrophobicContact CB-CB 3.81Å; R57-A111 HydrophobicContact CG-CB 4.16Å; Q58-A111 WeakPolarHBondContact O-CA 3.2Å; Q58-A111 VanDerWaalsContact O-CB 3.31Å; Q58-A111 WeakPolarHBondContact O-CB 3.36Å; D109-A111 PolarHBondContact O-N 3.44Å; D109-A111 VanDerWaalsContact O-N 3.15Å; A111-Y113 HydrophobicContact CB-CD2 4.4Å; A111-Y113 HydrophobicContact CB-CE2 3.9Å; A111-Y113 VanDerWaalsContact O-CD2 3.31Å; A111-Y113 WeakPolarHBondContact O-CD2 3.35Å
112	L	96.9	Very high	96.3	Very high	103 Å²	103	62.3 Å²	62.3	54%	0.539	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	131.4	163.4	-63.9	174.2	0	0	0	108.5	R57 Q58 Y114	R57-L112 CarbonylContact C-O 3.46Å; R57-L112 WeakPolarHBondContact CA-O 3.34Å; Q58-L112 HydrophobicContact CB-CB 4.49Å; Q58-L112 PolarHBondContact N-O 2.84Å; Q58-L112 PolarHBondContact O-N 2.91Å; L112-Y114 HydrophobicContact CB-CE2 3.74Å; L112-Y114 WeakPolarHBondContact CD1-OH 3.44Å
113	Y	97.9	Very high	96.1	Very high	32 Å²	32	66.3 Å²	66.3	13%	0.125	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	132.2	-178.4	-73.7	-103.1	0	0	0	109.9	L39 V56 R57 V67 F87 L100 M102 D109 A111	L39-Y113 VanDerWaalsContact CD1-CB 3.48Å; L39-Y113 HydrophobicContact CD1-CD1 3.86Å; L39-Y113 HydrophobicContact CD1-CD2 4.15Å; L39-Y113 HydrophobicContact CD1-CG 3.57Å; V56-Y113 WeakPolarHBondContact O-CA 3.46Å; R57-Y113 HydrophobicContact CB-CD1 3.9Å; R57-Y113 HydrophobicContact CB-CD2 4.46Å; R57-Y113 HydrophobicContact CB-CE1 3.82Å; R57-Y113 HydrophobicContact CB-CE2 4.38Å; R57-Y113 HydrophobicContact CB-CG 4.22Å; V67-Y113 HydrophobicContact CG1-CE1 4.21Å; V67-Y113 HydrophobicContact CG2-CD1 4.31Å; V67-Y113 HydrophobicContact CG2-CE1 3.94Å; F87-Y113 HydrophobicContact CE2-CE1 4.36Å; L100-Y113 HydrophobicContact CD2-CD1 4.02Å; L100-Y113 HydrophobicContact CD2-CE1 4.1Å; M102-Y113 HydrophobicContact SD-CE1 4.09Å; D109-Y113 WeakPolarHBondContact O-CE2 3.29Å; D109-Y113 PolarHBondContact O-OH 2.83Å; A111-Y113 HydrophobicContact CB-CD2 4.4Å; A111-Y113 HydrophobicContact CB-CE2 3.9Å; A111-Y113 VanDerWaalsContact O-CD2 3.31Å; A111-Y113 WeakPolarHBondContact O-CD2 3.35Å
114	Y	97.9	Very high	96.1	Very high	95 Å²	95	68 Å²	68	37%	0.373	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	141.3	180	-58.2	-76.7	0	0	0	109.3	E25 W55 V56 Q58 L112	E25-Y114 WeakPolarHBondContact OE1-CA 3.47Å; W55-Y114 WeakPolarHBondContact CA-O 3.28Å; V56-Y114 PolarHBondContact N-O 3.32Å; V56-Y114 PolarHBondContact O-N 3.28Å; V56-Y114 VanDerWaalsContact O-O 3.12Å; Q58-Y114 HydrophobicContact CB-CE2 4.14Å; L112-Y114 HydrophobicContact CB-CE2 3.74Å; L112-Y114 WeakPolarHBondContact CD1-OH 3.44Å
115	C	97.8	Very high	96	Very high	8 Å²	8	68 Å²	68	5%	0.054	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	146.9	166.3	55.8	0	0	0	0	109.9	L23 E25 C41 S54 W55 L98	L23-C115 WeakPolarHBondContact CD1-O 3.41Å; E25-C115 PolarHBondContact OE1-N 2.97Å; E25-C115 PolarHBondContact OE1-SG 2.92Å; C41-C115 HydrophobicContact CB-CB 3.42Å; C41-C115 VanDerWaalsContact CB-CB 3.42Å; C41-C115 WeakPolarHBondContact CB-SG 3.06Å; C41-C115 WeakPolarHBondContact SG-CB 3.41Å; C41-C115 CovalentContact SG-SG 2.01Å; C41-C115 PolarHBondContact SG-SG 3.27Å; S54-C115 CarbonylContact O-C 3.53Å; S54-C115 VanDerWaalsContact O-CA 3.28Å; S54-C115 WeakPolarHBondContact O-CA 3.36Å; W55-C115 HydrophobicContact CD2-CB 4.41Å; W55-C115 HydrophobicContact CE3-CB 4.3Å; W55-C115 HydrophobicContact CH2-CB 4.33Å; W55-C115 HydrophobicContact CZ2-CB 4.42Å; W55-C115 HydrophobicContact CZ3-CB 4.26Å; L98-C115 HydrophobicContact CD2-CB 4.03Å
116	A	97.4	Very high	95.9	Very high	27 Å²	27	72.5 Å²	72.5	22%	0.223	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	142.5	-179.5	0	0	0	0	0	110	M53 S54 V56	M53-A116 CarbonylContact C-O 3.58Å; M53-A116 WeakPolarHBondContact CA-O 3.22Å; M53-A116 WeakPolarHBondContact CE-O 3.34Å; S54-A116 PolarHBondContact N-O 3.49Å; S54-A116 PolarHBondContact O-N 3.16Å; V56-A116 HydrophobicContact CG2-CB 4.26Å
117	R	92.8	Very high	95.9	Very high	136 Å²	136	66.2 Å²	66.2	51%	0.513	34%	0.344	S	S	.	.			trans	-93.6	0	168.9	-172.5	-174.6	77.8	-179.6	-1.1	109.7	F46 Y51 T52 M53	F46-R117 VanDerWaalsContact CB-NH1 3.3Å; F46-R117 HydrophobicContact CE2-CG 3.96Å; F46-R117 VanDerWaalsContact CG-NH1 3.33Å; F46-R117 HydrophobicContact CZ-CB 4.44Å; F46-R117 HydrophobicContact CZ-CG 4.27Å; Y51-R117 VanDerWaalsContact CB-CG 3.48Å; Y51-R117 VanDerWaalsContact CD1-CD 3.49Å; Y51-R117 HydrophobicContact CD1-CG 3.58Å; Y51-R117 HydrophobicContact CD2-CG 4.36Å; Y51-R117 HydrophobicContact CE1-CG 4.4Å; Y51-R117 VanDerWaalsContact CG-CD 3.43Å; Y51-R117 HydrophobicContact CG-CG 3.56Å; T52-R117 VanDerWaalsContact O-OXT 3.06Å; M53-R117 HydrophobicContact CE-CB 4.18Å; M53-R117 HydrophobicContact SD-CB 3.73Å; M53-R117 HydrophobicContact SD-CG 3.8Å

Retrieved 117 of 117 residues in 69.2 ms (Link to these results)

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