A0A075B695_MOUSE Loading...

T cell receptor alpha variable 9D-3

AlphaFold DB , UniProt , Accession A0A075B695, Species MOUSE (Mus musculus, Mouse), Gene Trav9d-3, Length 113 aa.

						>A0A075B695_MOUSE|A0A075B695|Trav9d-3
MLLALLPVLGIHFLLRDAQAQSVTQPDARVTVSEGASLQLRCKYSYFGTPYLFWYVQYPRQGLQLLLKYYPGDPVVQGVNGFEAEFSKSNSSFHLRKASVHWSDWAVYFCAVS
					

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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	53.9	Low	57.1	Low	219 Å²	219	109.6 Å²	109.6	100%	1.079	62%	0.619	S	S	*	*				0	-42.3	0	-69.4	-64.5	-60.8	0	0	113.3
2	L	57.3	Low	57.2	Low	146 Å²	146	110.8 Å²	110.8	76%	0.764	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-71.1	-30.6	-174	-156	71.9	0	0	0	115.3	A4 L5	L2-A4 VanDerWaalsContact C-N 3.28Å; L2-A4 PolarHBondContact O-N 3.25Å; L2-L5 PolarHBondContact O-N 3.34Å
3	L	55.9	Low	57.3	Low	143 Å²	143	114.7 Å²	114.7	75%	0.749	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-68.9	-19	-176.9	-82.1	133.1	0	0	0	114.7	L5 L6	L3-L5 PolarHBondContact O-N 2.82Å; L3-L6 HydrophobicContact CD2-CD1 4.1Å
4	A	58.6	Low	57.5	Low	72 Å²	72	117.3 Å²	117.3	60%	0.595	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-75	-12.7	179	0	0	0	0	0	113.3	L2	L2-A4 VanDerWaalsContact C-N 3.28Å; L2-A4 PolarHBondContact O-N 3.25Å
5	L	56.1	Low	57.7	Low	109 Å²	109	118.4 Å²	118.4	57%	0.571	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-87.9	-22.5	-179.8	-63.5	172.1	0	0	0	113.3	L2 L3 V8 L9	L2-L5 PolarHBondContact O-N 3.34Å; L3-L5 PolarHBondContact O-N 2.82Å; L5-V8 WeakPolarHBondContact O-CB 3.42Å; L5-V8 PolarHBondContact O-N 3.02Å; L5-L9 PolarHBondContact O-N 3.24Å
6	L	59.7	Low	58.2	Low	111 Å²	111	125.6 Å²	125.6	58%	0.581	65%	0.654	S	S	*	*	H	α-helix	trans	-59.3	-44	179.9	-69.5	164.7	0	0	0	114.1	L3 V8 L9 G10	L3-L6 HydrophobicContact CD2-CD1 4.1Å; L6-V8 VanDerWaalsContact C-N 3.33Å; L6-L9 PolarHBondContact O-N 3.48Å; L6-G10 PolarHBondContact O-N 3.01Å; L6-G10 VanDerWaalsContact O-N 3.14Å
7	P	54.4	Low	58.9	Low	79 Å²	79	126.6 Å²	126.6	51%	0.513	66%	0.66	S	S	.	*	H	α-helix	trans	-68	-33.1	174.8	23.8	-31.6	0	0	0	112.4	G10 I11	P7-G10 PolarHBondContact O-N 3.17Å; P7-I11 WeakPolarHBondContact O-CD1 3.12Å; P7-I11 VanDerWaalsContact O-CG1 3.29Å; P7-I11 WeakPolarHBondContact O-CG1 3.34Å; P7-I11 PolarHBondContact O-N 3.09Å; P7-I11 VanDerWaalsContact O-N 3.13Å
8	V	60.3	Low	59.6	Low	69 Å²	69	125.1 Å²	125.1	42%	0.418	67%	0.669	S	S	.	*	H	α-helix	trans	-64.7	-43.5	175.2	-177	0	0	0	0	110.3	L5 L6 G10 I11 H12	L5-V8 WeakPolarHBondContact O-CB 3.42Å; L5-V8 PolarHBondContact O-N 3.02Å; L6-V8 VanDerWaalsContact C-N 3.33Å; V8-G10 VanDerWaalsContact C-N 3.29Å; V8-G10 PolarHBondContact O-N 3.37Å; V8-I11 PolarHBondContact O-N 3.18Å; V8-H12 WeakPolarHBondContact CG1-NE2 3.48Å; V8-H12 PolarHBondContact O-CD2 3.27Å; V8-H12 PolarHBondContact O-N 2.67Å
9	L	57.9	Low	60.4	Low	105 Å²	105	125.2 Å²	125.2	55%	0.55	67%	0.665	S	S	.	*	H	α-helix	trans	-60.1	-37.7	175.6	-159.4	73.1	0	0	0	112	L5 L6 H12 F13	L5-L9 PolarHBondContact O-N 3.24Å; L6-L9 PolarHBondContact O-N 3.48Å; L9-H12 PolarHBondContact O-N 3.16Å; L9-F13 HydrophobicContact CG-CE2 4.2Å; L9-F13 WeakPolarHBondContact O-CD2 3.15Å
10	G	55.6	Low	61.8	Low	40 Å²	40	123.1 Å²	123.1	41%	0.412	67%	0.666	S	S	.	*	H	α-helix	trans	-68.5	-33.1	175.7	0	0	0	0	0	114.6	L6 P7 V8 H12 F13	L6-G10 PolarHBondContact O-N 3.01Å; L6-G10 VanDerWaalsContact O-N 3.14Å; P7-G10 PolarHBondContact O-N 3.17Å; V8-G10 VanDerWaalsContact C-N 3.29Å; V8-G10 PolarHBondContact O-N 3.37Å; G10-H12 VanDerWaalsContact C-N 3.35Å; G10-F13 PolarHBondContact O-N 3.08Å
11	I	58.7	Low	63.3	Low	113 Å²	113	120.5 Å²	120.5	58%	0.579	65%	0.65	S	S	*	*	H	α-helix	trans	-70.5	-32.4	177.7	-64.9	159.3	0	0	0	111.1	P7 V8 F13 L14	P7-I11 WeakPolarHBondContact O-CD1 3.12Å; P7-I11 VanDerWaalsContact O-CG1 3.29Å; P7-I11 WeakPolarHBondContact O-CG1 3.34Å; P7-I11 PolarHBondContact O-N 3.09Å; P7-I11 VanDerWaalsContact O-N 3.13Å; V8-I11 PolarHBondContact O-N 3.18Å; I11-F13 VanDerWaalsContact C-N 3.27Å; I11-F13 PolarHBondContact O-N 2.83Å; I11-L14 PolarHBondContact O-N 3.17Å
12	H	57.7	Low	65.3	Low	123 Å²	123	112.8 Å²	112.8	57%	0.569	62%	0.617	S	S	*	*	H	α-helix	trans	-66	-24	176.9	-67.8	-63.6	0	0	0	113.9	V8 L9 G10	V8-H12 WeakPolarHBondContact CG1-NE2 3.48Å; V8-H12 PolarHBondContact O-CD2 3.27Å; V8-H12 PolarHBondContact O-N 2.67Å; L9-H12 PolarHBondContact O-N 3.16Å; G10-H12 VanDerWaalsContact C-N 3.35Å
13	F	58.5	Low	67.3	Low	162 Å²	162	108.1 Å²	108.1	71%	0.711	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-14.3	-179.9	-74.4	-73.4	0	0	0	114.5	L9 G10 I11	L9-F13 HydrophobicContact CG-CE2 4.2Å; L9-F13 WeakPolarHBondContact O-CD2 3.15Å; G10-F13 PolarHBondContact O-N 3.08Å; I11-F13 VanDerWaalsContact C-N 3.27Å; I11-F13 PolarHBondContact O-N 2.83Å
14	L	60.1	Low	69.3	Low	151 Å²	151	105.4 Å²	105.4	79%	0.791	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-14.7	179.5	-63.1	-179.5	0	0	0	113.2	I11 R16	I11-L14 PolarHBondContact O-N 3.17Å; L14-R16 PolarHBondContact O-N 2.93Å
15	L	61.4	Low	71.2	Confident	134 Å²	134	105.2 Å²	105.2	70%	0.702	57%	0.571	S	S	*	*			trans	-82.1	72.4	167.3	-62	174.5	0	0	0	108.1	D17	L15-D17 VanDerWaalsContact C-N 3.33Å; L15-D17 PolarHBondContact O-N 2.85Å
16	R	65.7	Low	73.1	Confident	233 Å²	233	103.4 Å²	103.4	88%	0.879	57%	0.566	S	S	*	*			trans	-59.9	104.7	161	-175.7	178.3	-175.2	-176.3	1.2	105.6	L14 A18	L14-R16 PolarHBondContact O-N 2.93Å; R16-A18 PolarHBondContact O-N 2.87Å
17	D	69.8	Low	74.6	Confident	143 Å²	143	100 Å²	100	77%	0.765	55%	0.549	S	S	*	.			trans	-49.6	111.7	178	-84.4	-30	0	0	0	108.5	L15 Q19	L15-D17 VanDerWaalsContact C-N 3.33Å; L15-D17 PolarHBondContact O-N 2.85Å; D17-Q19 PolarHBondContact O-N 2.7Å
18	A	70.8	Confident	76.4	Confident	99 Å²	99	101.3 Å²	101.3	82%	0.818	57%	0.566	S	S	*	*			trans	-66.5	104.5	173.7	0	0	0	0	0	106.5	R16 A20	R16-A18 PolarHBondContact O-N 2.87Å; A18-A20 PolarHBondContact O-N 2.92Å
19	Q	75.3	Confident	78	Confident	127 Å²	127	108.5 Å²	108.5	59%	0.593	59%	0.585	S	S	*	*			trans	-72.3	104	175.7	-70.4	-173	-46.7	0	0	108.5	D17 F47	D17-Q19 PolarHBondContact O-N 2.7Å; Q19-F47 HydrophobicContact CB-CD2 3.96Å; Q19-F47 HydrophobicContact CB-CE2 3.87Å; Q19-F47 VanDerWaalsContact CD-CD2 3.42Å; Q19-F47 HydrophobicContact CG-CD2 4.25Å; Q19-F47 HydrophobicContact CG-CE2 3.89Å
20	A	87.5	Confident	79.9	Confident	83 Å²	83	106.4 Å²	106.4	69%	0.686	58%	0.577	S	S	*	*			trans	-69.6	143.6	175.1	0	0	0	0	0	110.4	A18	A18-A20 PolarHBondContact O-N 2.92Å
21	Q	94	Very high	81.8	Confident	70 Å²	70	110.1 Å²	110.1	33%	0.327	59%	0.591	S	S	.	*			trans	-82.4	146	167.3	-43.8	-175.3	5.3	0	0	109.1	S45 Y46 V112 S113	Q21-S45 WeakPolarHBondContact CA-O 3.46Å; Q21-Y46 HydrophobicContact CB-CD2 4.44Å; Q21-Y46 HydrophobicContact CG-CD2 3.57Å; Q21-Y46 HydrophobicContact CG-CE2 3.86Å; Q21-Y46 HydrophobicContact CG-CG 4.15Å; Q21-Y46 VanDerWaalsContact NE2-CE2 3.32Å; Q21-Y46 VanDerWaalsContact NE2-CZ 3.33Å; Q21-V112 HydrophobicContact CB-CG1 3.82Å; Q21-V112 PolarHBondContact OE1-O 2.7Å; Q21-S113 PolarHBondContact NE2-OXT 2.82Å; Q21-S113 PolarHBondContact OE1-OXT 3.12Å
22	S	97	Very high	83.6	Confident	56 Å²	56	107.5 Å²	107.5	39%	0.392	58%	0.581	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-146.8	154.7	179.5	67.3	0	0	0	0	112.3	Y44 S45	S22-Y44 CarbonylContact O-C 3.56Å; S22-Y44 VanDerWaalsContact O-CA 3.31Å; S22-Y44 WeakPolarHBondContact O-CA 3.46Å; S22-S45 PolarHBondContact N-O 2.8Å; S22-S45 VanDerWaalsContact N-O 3.09Å; S22-S45 PolarHBondContact O-N 3.36Å; S22-S45 VanDerWaalsContact OG-CB 3.31Å; S22-S45 WeakPolarHBondContact OG-CB 3.3Å
23	V	98.1	Very high	85.5	Confident	48 Å²	48	106 Å²	106	29%	0.291	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.6	156.3	165	-67.1	0	0	0	0	110.9	K43 C110 V112	V23-K43 CarbonylContact C-O 3.57Å; V23-K43 WeakPolarHBondContact CA-O 3.48Å; V23-C110 WeakPolarHBondContact CG2-O 3.45Å; V23-V112 HydrophobicContact CG1-CB 3.94Å; V23-V112 HydrophobicContact CG1-CG1 3.82Å
24	T	98	Very high	87.3	Confident	86 Å²	86	103.7 Å²	103.7	53%	0.528	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-134.3	126	174.5	-53.7	0	0	0	0	109.9	C42 K43	T24-C42 WeakPolarHBondContact O-CA 3.35Å; T24-K43 PolarHBondContact N-O 3.38Å; T24-K43 PolarHBondContact O-N 3.3Å
25	Q	98.4	Very high	89.1	Confident	69 Å²	69	98.6 Å²	98.6	32%	0.322	56%	0.56	S	S	.	*			trans	-113.7	100.1	174.9	-70.9	176.5	-121.1	0	0	108.8	D27 C42 W54 Y108 C110	Q25-D27 PolarHBondContact O-N 2.85Å; Q25-C42 HydrophobicContact CG-CB 4.47Å; Q25-W54 HydrophobicContact CG-CH2 4.36Å; Q25-Y108 PolarHBondContact NE2-O 2.85Å; Q25-C110 HydrophobicContact CG-CB 4.12Å
26	P	96	Very high	90.9	Very high	70 Å²	70	94 Å²	94	46%	0.455	54%	0.54	S	S	.	.			trans	-70.7	-20.7	-178.3	29.5	-36	0	0	0	112.8	A28 R41	P26-A28 PolarHBondContact O-N 3.5Å; P26-R41 HydrophobicContact CG-CB 3.81Å
27	D	91.8	Very high	92.4	Very high	41 Å²	41	87.2 Å²	87.2	22%	0.219	53%	0.529	C	S	.	.			trans	-87.1	79.4	-176.8	-56.9	-49.4	0	0	0	110.8	Q25 R29 V30 R41	Q25-D27 PolarHBondContact O-N 2.85Å; D27-R29 VanDerWaalsContact C-N 3.27Å; D27-R29 PolarHBondContact O-N 2.79Å; D27-V30 HydrophobicContact CB-CG2 3.66Å; D27-R41 IonicContact OD1-CZ 2.7Å; D27-R41 VanDerWaalsContact OD1-CZ 3.31Å; D27-R41 IonicContact OD1-NE 2.7Å; D27-R41 PolarHBondContact OD1-NE 2.97Å; D27-R41 VanDerWaalsContact OD1-NE 3.16Å; D27-R41 IonicContact OD1-NH2 2.67Å; D27-R41 PolarHBondContact OD1-NH2 2.91Å; D27-R41 VanDerWaalsContact OD2-CB 3.23Å; D27-R41 WeakPolarHBondContact OD2-CB 3.48Å; D27-R41 WeakPolarHBondContact OD2-CG 3.35Å; D27-R41 IonicContact OD2-CZ 3.31Å; D27-R41 PolarHBondContact OD2-N 2.95Å; D27-R41 IonicContact OD2-NE 3.16Å; D27-R41 PolarHBondContact OD2-NE 2.98Å; D27-R41 IonicContact OD2-NH2 3.91Å
28	A	91.6	Very high	93.7	Very high	106 Å²	106	81.4 Å²	81.4	88%	0.876	50%	0.498	S	S	*	.	S	Bend	trans	-62.6	-33.7	-178.3	0	0	0	0	0	113.2	P26	P26-A28 PolarHBondContact O-N 3.5Å
29	R	95.1	Very high	95	Very high	220 Å²	220	80.6 Å²	80.6	83%	0.83	48%	0.477	S	S	*	.			trans	-148.3	128.9	174.5	-178.6	175.1	178	162.9	0.3	109.3	D27	D27-R29 VanDerWaalsContact C-N 3.27Å; D27-R29 PolarHBondContact O-N 2.79Å
30	V	96.4	Very high	96.1	Very high	61 Å²	61	75.4 Å²	75.4	37%	0.37	45%	0.453	S	S	.	.			trans	-118.6	138.5	174.8	-178	0	0	0	0	108.6	D27 V32 L38 L40	D27-V30 HydrophobicContact CB-CG2 3.66Å; V30-V32 HydrophobicContact CG1-CG1 3.97Å; V30-L38 HydrophobicContact CB-CD1 4.38Å; V30-L38 HydrophobicContact CG1-CD1 3.58Å; V30-L40 HydrophobicContact CB-CD2 4.04Å; V30-L40 HydrophobicContact CG2-CD2 3.6Å
31	T	96.4	Very high	96.6	Very high	117 Å²	117	76.6 Å²	76.6	72%	0.718	44%	0.44	S	S	*	.			trans	-129.5	124.6	174.8	-58.4	0	0	0	0	107.3
32	V	96.2	Very high	96.8	Very high	59 Å²	59	73.3 Å²	73.3	36%	0.358	43%	0.425	S	S	.	.			trans	-134.1	152.1	-177.9	-68.3	0	0	0	0	109	V30 L38 V100	V30-V32 HydrophobicContact CG1-CG1 3.97Å; V32-L38 HydrophobicContact CG1-CD1 4.03Å; V32-L38 HydrophobicContact CG2-CD1 4.42Å; V32-V100 HydrophobicContact CG2-CB 4.21Å; V32-V100 HydrophobicContact CG2-CG1 4Å; V32-V100 HydrophobicContact CG2-CG2 4.2Å
33	S	97.2	Very high	96.9	Very high	92 Å²	92	76.6 Å²	76.6	64%	0.643	43%	0.432	S	S	*	.			trans	-75.8	150.7	172.8	-57.7	0	0	0	0	110.6	A36	S33-A36 WeakPolarHBondContact O-CB 3.29Å; S33-A36 PolarHBondContact O-N 2.97Å; S33-A36 VanDerWaalsContact O-N 3.08Å
34	E	97.3	Very high	96.8	Very high	113 Å²	113	75.2 Å²	75.2	53%	0.528	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	140	170.2	-176	167.1	-143.1	0	0	111	A36 W102	E34-A36 PolarHBondContact O-N 3.19Å; E34-W102 PolarHBondContact OE2-NE1 3.23Å
35	G	97.9	Very high	96.8	Very high	44 Å²	44	73.8 Å²	73.8	45%	0.454	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	-12.3	-174.9	0	0	0	0	0	115	S99 V100	G35-S99 WeakPolarHBondContact CA-OG 3.25Å; G35-V100 PolarHBondContact N-O 2.78Å
36	A	98.2	Very high	96.6	Very high	36 Å²	36	74.2 Å²	74.2	30%	0.298	41%	0.414	S	S	.	.			trans	-75.7	157.7	177.1	0	0	0	0	0	111.7	S33 E34 V100	S33-A36 WeakPolarHBondContact O-CB 3.29Å; S33-A36 PolarHBondContact O-N 2.97Å; S33-A36 VanDerWaalsContact O-N 3.08Å; E34-A36 PolarHBondContact O-N 3.19Å; A36-V100 PolarHBondContact O-N 2.95Å
37	S	97.9	Very high	96.2	Very high	91 Å²	91	77.8 Å²	77.8	64%	0.636	42%	0.423	S	S	*	.			trans	-77.8	147	170.4	60.6	0	0	0	0	111.1	K97 A98	S37-K97 WeakPolarHBondContact CA-O 3.26Å; S37-A98 WeakPolarHBondContact CA-O 3.44Å; S37-A98 WeakPolarHBondContact CB-O 3.19Å
38	L	96.7	Very high	96.2	Very high	21 Å²	21	77.7 Å²	77.7	11%	0.11	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	142	179.5	171.5	69.7	0	0	0	109.9	V30 V32 L40 F82 R96 K97 V100	V30-L38 HydrophobicContact CB-CD1 4.38Å; V30-L38 HydrophobicContact CG1-CD1 3.58Å; V32-L38 HydrophobicContact CG1-CD1 4.03Å; V32-L38 HydrophobicContact CG2-CD1 4.42Å; L38-L40 HydrophobicContact CD1-CD2 3.9Å; L38-L40 HydrophobicContact CD1-CG 4.36Å; L38-L40 HydrophobicContact CD2-CG 4.42Å; L38-L40 HydrophobicContact CG-CD2 4.44Å; L38-L40 HydrophobicContact CG-CG 4.38Å; L38-F82 HydrophobicContact CD2-CE1 4.4Å; L38-R96 VanDerWaalsContact O-CA 3.3Å; L38-R96 WeakPolarHBondContact O-CA 3.35Å; L38-K97 PolarHBondContact N-O 3.34Å; L38-K97 PolarHBondContact O-N 2.98Å; L38-V100 HydrophobicContact CB-CG2 3.38Å; L38-V100 HydrophobicContact CD2-CG2 3.94Å; L38-V100 HydrophobicContact CG-CG2 4.28Å
39	Q	97.6	Very high	96.3	Very high	83 Å²	83	76.6 Å²	76.6	39%	0.388	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	127.3	165.3	-175.3	175.7	-78.1	0	0	109.8	H94 L95 R96	Q39-H94 HydrophobicContact CG-CB 4.2Å; Q39-L95 CarbonylContact C-O 3.42Å; Q39-L95 VanDerWaalsContact CA-O 3.24Å; Q39-L95 WeakPolarHBondContact CA-O 3.33Å; Q39-R96 HydrophobicContact CB-CG 4.41Å; Q39-R96 HydrophobicContact CG-CG 4.03Å
40	L	98.2	Very high	96.4	Very high	17 Å²	17	66.6 Å²	66.6	9%	0.089	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	125.9	170.3	-57.8	-178.7	0	0	0	109.2	V30 L38 W54 H94 L95 Y108	V30-L40 HydrophobicContact CB-CD2 4.04Å; V30-L40 HydrophobicContact CG2-CD2 3.6Å; L38-L40 HydrophobicContact CD1-CD2 3.9Å; L38-L40 HydrophobicContact CD1-CG 4.36Å; L38-L40 HydrophobicContact CD2-CG 4.42Å; L38-L40 HydrophobicContact CG-CD2 4.44Å; L38-L40 HydrophobicContact CG-CG 4.38Å; L40-W54 HydrophobicContact CB-CH2 3.86Å; L40-W54 HydrophobicContact CB-CZ2 4.39Å; L40-W54 HydrophobicContact CB-CZ3 4.47Å; L40-W54 HydrophobicContact CD1-CZ3 4.42Å; L40-H94 WeakPolarHBondContact O-CA 3.23Å; L40-L95 HydrophobicContact CB-CB 4.27Å; L40-L95 HydrophobicContact CD1-CD2 4.17Å; L40-L95 PolarHBondContact N-O 3.02Å; L40-L95 PolarHBondContact O-N 2.83Å; L40-Y108 HydrophobicContact CD1-CD1 4.38Å; L40-Y108 HydrophobicContact CD1-CD2 3.81Å; L40-Y108 HydrophobicContact CD1-CG 3.66Å
41	R	98.4	Very high	96.4	Very high	109 Å²	109	68 Å²	68	41%	0.411	38%	0.377	S	S	.	.			trans	-84.9	133.8	-177.4	-61.7	174.4	-68.1	171.2	0.3	110.5	P26 D27	P26-R41 HydrophobicContact CG-CB 3.81Å; D27-R41 IonicContact OD1-CZ 2.7Å; D27-R41 VanDerWaalsContact OD1-CZ 3.31Å; D27-R41 IonicContact OD1-NE 2.7Å; D27-R41 PolarHBondContact OD1-NE 2.97Å; D27-R41 VanDerWaalsContact OD1-NE 3.16Å; D27-R41 IonicContact OD1-NH2 2.67Å; D27-R41 PolarHBondContact OD1-NH2 2.91Å; D27-R41 VanDerWaalsContact OD2-CB 3.23Å; D27-R41 WeakPolarHBondContact OD2-CB 3.48Å; D27-R41 WeakPolarHBondContact OD2-CG 3.35Å; D27-R41 IonicContact OD2-CZ 3.31Å; D27-R41 PolarHBondContact OD2-N 2.95Å; D27-R41 IonicContact OD2-NE 3.16Å; D27-R41 PolarHBondContact OD2-NE 2.98Å; D27-R41 IonicContact OD2-NH2 3.91Å
42	C	98.5	Very high	96.5	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.343	C	S	.	.			trans	-133.2	130.9	165.9	175.2	0	0	0	0	109.7	T24 Q25 W54 S92 F93 H94 C110	T24-C42 WeakPolarHBondContact O-CA 3.35Å; Q25-C42 HydrophobicContact CG-CB 4.47Å; C42-W54 HydrophobicContact CB-CH2 4.07Å; C42-W54 HydrophobicContact CB-CZ2 3.44Å; C42-W54 VanDerWaalsContact CB-CZ2 3.44Å; C42-S92 VanDerWaalsContact O-CA 3.31Å; C42-S92 WeakPolarHBondContact O-CA 3.31Å; C42-S92 WeakPolarHBondContact O-CB 3.41Å; C42-F93 WeakPolarHBondContact CB-O 3.16Å; C42-F93 PolarHBondContact O-N 2.73Å; C42-H94 PolarHBondContact N-ND1 2.93Å; C42-H94 VanDerWaalsContact N-ND1 3.19Å; C42-H94 PolarHBondContact O-CE1 3.4Å; C42-H94 VanDerWaalsContact O-CE1 3.3Å; C42-H94 PolarHBondContact O-ND1 3.23Å; C42-H94 VanDerWaalsContact O-ND1 3.1Å; C42-C110 HydrophobicContact CB-CB 3.51Å; C42-C110 WeakPolarHBondContact CB-SG 3.01Å; C42-C110 WeakPolarHBondContact SG-CB 3.26Å; C42-C110 CovalentContact SG-SG 2.02Å; C42-C110 PolarHBondContact SG-SG 2.86Å
43	K	98.3	Very high	96.6	Very high	126 Å²	126	61.2 Å²	61.2	55%	0.548	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	145	165.4	-70.5	-168.7	171.4	-170.5	0	109.6	V23 T24 S91	V23-K43 CarbonylContact C-O 3.57Å; V23-K43 WeakPolarHBondContact CA-O 3.48Å; T24-K43 PolarHBondContact N-O 3.38Å; T24-K43 PolarHBondContact O-N 3.3Å; K43-S91 CarbonylContact C-O 3.55Å; K43-S91 VanDerWaalsContact CA-O 3.22Å; K43-S91 WeakPolarHBondContact CA-O 3.44Å
44	Y	97.5	Very high	96.7	Very high	19 Å²	19	56.9 Å²	56.9	8%	0.075	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	156.6	175	71.7	-92.3	0	0	0	110.4	S22 P50 L52 F86 S91 V112	S22-Y44 CarbonylContact O-C 3.56Å; S22-Y44 VanDerWaalsContact O-CA 3.31Å; S22-Y44 WeakPolarHBondContact O-CA 3.46Å; Y44-P50 HydrophobicContact CD2-CB 4.25Å; Y44-P50 HydrophobicContact CE2-CB 4Å; Y44-P50 HydrophobicContact CE2-CG 3.86Å; Y44-L52 HydrophobicContact CD1-CD1 3.88Å; Y44-L52 HydrophobicContact CD1-CD2 3.81Å; Y44-L52 HydrophobicContact CD1-CG 4.47Å; Y44-L52 HydrophobicContact CE1-CD1 3.93Å; Y44-L52 HydrophobicContact CG-CD2 3.88Å; Y44-F86 HydrophobicContact CE1-CD2 4.29Å; Y44-F86 AromaticContact CE1-CE2 3.83Å; Y44-F86 HydrophobicContact CE1-CE2 3.83Å; Y44-F86 AromaticContact CZ-CE2 3.83Å; Y44-F86 VanDerWaalsContact OH-CE2 3.32Å; Y44-F86 WeakPolarHBondContact OH-CE2 3.24Å; Y44-S91 VanDerWaalsContact CD1-C 3.4Å; Y44-S91 WeakPolarHBondContact CD1-O 3.43Å; Y44-S91 PolarHBondContact N-O 2.79Å; Y44-S91 WeakPolarHBondContact O-CB 3.39Å; Y44-V112 HydrophobicContact CD2-CG2 4.43Å
45	S	96.4	Very high	96.8	Very high	56 Å²	56	54.7 Å²	54.7	39%	0.392	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	110.9	168.9	-169.9	0	0	0	0	107.6	Q21 S22	Q21-S45 WeakPolarHBondContact CA-O 3.46Å; S22-S45 PolarHBondContact N-O 2.8Å; S22-S45 VanDerWaalsContact N-O 3.09Å; S22-S45 PolarHBondContact O-N 3.36Å; S22-S45 VanDerWaalsContact OG-CB 3.31Å; S22-S45 WeakPolarHBondContact OG-CB 3.3Å
46	Y	94.5	Very high	96.8	Very high	77 Å²	77	52.8 Å²	52.8	30%	0.302	27%	0.269	S	S	.	.			trans	-158.7	134.6	175.9	-178.3	-143.9	0	0	0	109.5	Q21 T49 P50 V112	Q21-Y46 HydrophobicContact CB-CD2 4.44Å; Q21-Y46 HydrophobicContact CG-CD2 3.57Å; Q21-Y46 HydrophobicContact CG-CE2 3.86Å; Q21-Y46 HydrophobicContact CG-CG 4.15Å; Q21-Y46 VanDerWaalsContact NE2-CE2 3.32Å; Q21-Y46 VanDerWaalsContact NE2-CZ 3.33Å; Y46-T49 WeakPolarHBondContact CE1-O 3.17Å; Y46-P50 HydrophobicContact CD1-CB 4.06Å; Y46-V112 HydrophobicContact CD1-CG2 4.39Å
47	F	88.3	Confident	96.8	Very high	146 Å²	146	54.8 Å²	54.8	64%	0.64	27%	0.272	S	S	*	.	S	Bend	trans	-81.5	-22.6	-176.5	-64.1	-83.6	0	0	0	113.4	Q19	Q19-F47 HydrophobicContact CB-CD2 3.96Å; Q19-F47 HydrophobicContact CB-CE2 3.87Å; Q19-F47 VanDerWaalsContact CD-CD2 3.42Å; Q19-F47 HydrophobicContact CG-CD2 4.25Å; Q19-F47 HydrophobicContact CG-CE2 3.89Å
48	G	91.5	Very high	96.8	Very high	38 Å²	38	51.6 Å²	51.6	39%	0.392	25%	0.246	S	C	.	.	S	Bend	trans	-86.7	-159.7	-179.1	0	0	0	0	0	113.3	P50	G48-P50 WeakPolarHBondContact O-CD 3.46Å
49	T	94	Very high	96.8	Very high	83 Å²	83	53 Å²	53	51%	0.509	26%	0.257	S	S	.	.			trans	-82.4	110.4	171.7	-61.5	0	0	0	0	108.9	Y46 P71	Y46-T49 WeakPolarHBondContact CE1-O 3.17Å; T49-P71 HydrophobicContact CG2-CB 4.1Å; T49-P71 HydrophobicContact CG2-CG 3.08Å
50	P	96	Very high	96.8	Very high	11 Å²	11	61 Å²	61	7%	0.071	28%	0.284	C	S	.	.			trans	-78.3	135	-173.2	31.9	-34.9	0	0	0	112	Y44 Y46 G48 L52 F86 V112	Y44-P50 HydrophobicContact CD2-CB 4.25Å; Y44-P50 HydrophobicContact CE2-CB 4Å; Y44-P50 HydrophobicContact CE2-CG 3.86Å; Y46-P50 HydrophobicContact CD1-CB 4.06Å; G48-P50 WeakPolarHBondContact O-CD 3.46Å; P50-L52 HydrophobicContact CB-CD1 4.18Å; P50-L52 HydrophobicContact CB-CG 4.2Å; P50-L52 HydrophobicContact CG-CD1 4.32Å; P50-F86 HydrophobicContact CG-CE2 3.8Å; P50-F86 HydrophobicContact CG-CZ 4.21Å; P50-V112 HydrophobicContact CB-CG2 3.92Å
51	Y	97.7	Very high	96.7	Very high	91 Å²	91	64.8 Å²	64.8	36%	0.357	30%	0.301	S	S	.	.			trans	-99.1	124.6	158.9	-57.3	-69.8	0	0	0	108	F53 Y70 P71 V112 S113	Y51-F53 WeakPolarHBondContact O-CE2 3.47Å; Y51-Y70 AromaticContact CD1-CD1 3.26Å; Y51-Y70 HydrophobicContact CD1-CD1 3.26Å; Y51-Y70 AromaticContact CD1-CE1 3.8Å; Y51-Y70 HydrophobicContact CD1-CE1 3.8Å; Y51-Y70 HydrophobicContact CD1-CG 4.27Å; Y51-Y70 AromaticContact CE1-CD1 3.47Å; Y51-Y70 HydrophobicContact CE1-CD1 3.47Å; Y51-Y70 VanDerWaalsContact CE1-CD1 3.47Å; Y51-Y70 HydrophobicContact CE1-CE1 4.14Å; Y51-Y70 HydrophobicContact CE1-CG 4.49Å; Y51-Y70 HydrophobicContact CG-CD1 4.37Å; Y51-P71 HydrophobicContact CE1-CG 4.31Å; Y51-V112 CarbonylContact O-C 3.49Å; Y51-V112 VanDerWaalsContact O-CA 3.3Å; Y51-V112 WeakPolarHBondContact O-CA 3.31Å; Y51-S113 PolarHBondContact N-O 3.11Å; Y51-S113 PolarHBondContact O-N 3.34Å
52	L	98.5	Very high	96.7	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	145.9	-172.5	-68.8	149.1	0	0	0	110.7	Y44 P50 K68 Y69 F86 F93 A111 V112	Y44-L52 HydrophobicContact CD1-CD1 3.88Å; Y44-L52 HydrophobicContact CD1-CD2 3.81Å; Y44-L52 HydrophobicContact CD1-CG 4.47Å; Y44-L52 HydrophobicContact CE1-CD1 3.93Å; Y44-L52 HydrophobicContact CG-CD2 3.88Å; P50-L52 HydrophobicContact CB-CD1 4.18Å; P50-L52 HydrophobicContact CB-CG 4.2Å; P50-L52 HydrophobicContact CG-CD1 4.32Å; L52-K68 CarbonylContact O-C 3.55Å; L52-K68 VanDerWaalsContact O-CA 3.25Å; L52-K68 WeakPolarHBondContact O-CA 3.44Å; L52-Y69 HydrophobicContact CD1-CD1 4.09Å; L52-Y69 PolarHBondContact N-O 2.96Å; L52-Y69 PolarHBondContact O-N 3.19Å; L52-F86 HydrophobicContact CD1-CD2 3.57Å; L52-F86 HydrophobicContact CD1-CE2 3.91Å; L52-F93 HydrophobicContact CB-CB 4.36Å; L52-F93 HydrophobicContact CB-CD1 3.5Å; L52-F93 HydrophobicContact CB-CD2 4.34Å; L52-F93 HydrophobicContact CB-CE1 3.72Å; L52-F93 HydrophobicContact CB-CG 3.82Å; L52-F93 HydrophobicContact CB-CZ 4.26Å; L52-F93 HydrophobicContact CD1-CB 3.94Å; L52-F93 HydrophobicContact CD1-CD2 4.26Å; L52-F93 HydrophobicContact CD1-CG 4.02Å; L52-F93 HydrophobicContact CD2-CB 4.23Å; L52-F93 HydrophobicContact CG-CB 4.41Å; L52-F93 HydrophobicContact CG-CD1 4.42Å; L52-F93 HydrophobicContact CG-CG 4.36Å; L52-A111 WeakPolarHBondContact CA-O 3.1Å; L52-V112 HydrophobicContact CD2-CB 3.82Å; L52-V112 HydrophobicContact CD2-CG2 3.82Å; L52-V112 HydrophobicContact CG-CG2 4.38Å
53	F	98.6	Very high	96.7	Very high	33 Å²	33	66.7 Å²	66.7	15%	0.145	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	146.1	-173.3	-51.8	-94.4	0	0	0	109.9	Y51 Y55 L65 K68 C110 A111	Y51-F53 WeakPolarHBondContact O-CE2 3.47Å; F53-Y55 HydrophobicContact CB-CD2 4.15Å; F53-Y55 HydrophobicContact CB-CE2 3.54Å; F53-Y55 HydrophobicContact CG-CE2 4.23Å; F53-L65 HydrophobicContact CB-CD1 4.37Å; F53-L65 HydrophobicContact CD1-CD1 4.05Å; F53-K68 HydrophobicContact CD1-CB 3.62Å; F53-K68 HydrophobicContact CE1-CB 3.89Å; F53-K68 HydrophobicContact CE1-CD 4.39Å; F53-C110 CarbonylContact O-C 3.51Å; F53-C110 WeakPolarHBondContact O-CA 3.41Å; F53-A111 HydrophobicContact CB-CB 4.34Å; F53-A111 PolarHBondContact N-O 3.01Å; F53-A111 PolarHBondContact O-N 3.18Å
54	W	98.7	Very high	96.7	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	132.8	159.2	-82.4	97	0	0	0	108.9	Q25 L40 C42 L66 L67 F93 L95 F109 C110	Q25-W54 HydrophobicContact CG-CH2 4.36Å; L40-W54 HydrophobicContact CB-CH2 3.86Å; L40-W54 HydrophobicContact CB-CZ2 4.39Å; L40-W54 HydrophobicContact CB-CZ3 4.47Å; L40-W54 HydrophobicContact CD1-CZ3 4.42Å; C42-W54 HydrophobicContact CB-CH2 4.07Å; C42-W54 HydrophobicContact CB-CZ2 3.44Å; C42-W54 VanDerWaalsContact CB-CZ2 3.44Å; W54-L66 HydrophobicContact CB-CB 4.35Å; W54-L66 HydrophobicContact CB-CD2 4.37Å; W54-L66 WeakPolarHBondContact O-CA 2.97Å; W54-L66 VanDerWaalsContact O-CB 3.3Å; W54-L66 WeakPolarHBondContact O-CB 3.36Å; W54-L66 PolarHBondContact O-N 2.95Å; W54-L67 HydrophobicContact CB-CD1 3.92Å; W54-L67 HydrophobicContact CB-CG 4.15Å; W54-L67 HydrophobicContact CG-CD1 4.25Å; W54-L67 PolarHBondContact N-O 2.86Å; W54-L67 PolarHBondContact O-N 3.09Å; W54-F93 AromaticContact CD1-CD1 3.51Å; W54-F93 AromaticContact CD1-CE1 3.48Å; W54-F93 VanDerWaalsContact CD1-CE1 3.48Å; W54-F93 AromaticContact NE1-CD1 3.54Å; W54-F93 AromaticContact NE1-CE1 4Å; W54-F93 PolarHBondContact NE1-O 3.28Å; W54-L95 HydrophobicContact CB-CD1 4.15Å; W54-L95 HydrophobicContact CD2-CB 3.87Å; W54-L95 HydrophobicContact CD2-CD1 4.36Å; W54-L95 HydrophobicContact CD2-CD2 4.15Å; W54-L95 HydrophobicContact CD2-CG 4.36Å; W54-L95 HydrophobicContact CE3-CB 4.43Å; W54-L95 HydrophobicContact CE3-CD2 4.15Å; W54-L95 HydrophobicContact CG-CB 4.21Å; W54-L95 HydrophobicContact CG-CD1 3.9Å; W54-L95 HydrophobicContact CG-CD2 4.42Å; W54-L95 HydrophobicContact CG-CG 4.41Å; W54-L95 HydrophobicContact CH2-CB 4.36Å; W54-L95 HydrophobicContact CZ2-CB 3.79Å; W54-F109 CarbonylContact C-O 3.5Å; W54-F109 WeakPolarHBondContact CA-O 3.45Å; W54-F109 VanDerWaalsContact CE3-C 3.46Å; W54-C110 HydrophobicContact CD2-CB 4.16Å; W54-C110 HydrophobicContact CE3-CB 4.16Å; W54-C110 HydrophobicContact CH2-CB 3.9Å; W54-C110 HydrophobicContact CZ2-CB 3.87Å; W54-C110 HydrophobicContact CZ3-CB 4.03Å
55	Y	98.5	Very high	96.7	Very high	68 Å²	68	67.4 Å²	67.4	27%	0.267	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	152	171.2	-63.3	-93.6	0	0	0	109.6	F53 L63 Q64 L65 Y108 F109 A111	F53-Y55 HydrophobicContact CB-CD2 4.15Å; F53-Y55 HydrophobicContact CB-CE2 3.54Å; F53-Y55 HydrophobicContact CG-CE2 4.23Å; Y55-L63 HydrophobicContact CD1-CD2 3.98Å; Y55-L63 HydrophobicContact CD1-CG 3.96Å; Y55-L63 HydrophobicContact CG-CD1 4.41Å; Y55-L63 HydrophobicContact CG-CD2 4.08Å; Y55-L63 HydrophobicContact CG-CG 4.13Å; Y55-Q64 CarbonylContact C-O 3.48Å; Y55-Q64 WeakPolarHBondContact CA-O 3.38Å; Y55-Q64 WeakPolarHBondContact CB-O 3.08Å; Y55-L65 HydrophobicContact CD1-CB 4.25Å; Y55-L65 HydrophobicContact CD1-CD1 4.22Å; Y55-L65 HydrophobicContact CE1-CB 4.1Å; Y55-L65 HydrophobicContact CE1-CD1 3.83Å; Y55-Y108 CarbonylContact O-C 3.5Å; Y55-Y108 WeakPolarHBondContact O-CA 3.32Å; Y55-F109 PolarHBondContact N-O 2.88Å; Y55-F109 PolarHBondContact O-N 2.88Å; Y55-A111 HydrophobicContact CE2-CB 4.22Å
56	V	98.3	Very high	96.8	Very high	3 Å²	3	65 Å²	65	2%	0.018	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	138.7	174.6	62.3	0	0	0	0	109.3	Y58 Q64 L66 A106 V107 Y108	V56-Y58 HydrophobicContact CB-CE2 4.46Å; V56-Y58 HydrophobicContact CG1-CD2 4.37Å; V56-Y58 HydrophobicContact CG1-CE2 3.7Å; V56-Y58 HydrophobicContact CG2-CD1 4.4Å; V56-Y58 HydrophobicContact CG2-CD2 4.26Å; V56-Y58 HydrophobicContact CG2-CE1 4Å; V56-Y58 HydrophobicContact CG2-CE2 3.87Å; V56-Q64 HydrophobicContact CG1-CB 4.07Å; V56-Q64 PolarHBondContact N-O 2.02Å; V56-Q64 PolarHBondContact O-N 3.29Å; V56-L66 HydrophobicContact CG1-CB 4.27Å; V56-L66 HydrophobicContact CG1-CD1 4.33Å; V56-A106 HydrophobicContact CG2-CB 3.48Å; V56-A106 VanDerWaalsContact CG2-CB 3.48Å; V56-V107 CarbonylContact C-O 3.58Å; V56-V107 WeakPolarHBondContact CA-O 3.35Å; V56-Y108 HydrophobicContact CB-CD1 4.03Å; V56-Y108 HydrophobicContact CB-CE1 3.91Å; V56-Y108 HydrophobicContact CG2-CD1 3.98Å; V56-Y108 HydrophobicContact CG2-CE1 3.55Å; V56-Y108 HydrophobicContact CG2-CE2 4.38Å
57	Q	98.4	Very high	97	Very high	78 Å²	78	61.8 Å²	61.8	36%	0.364	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	100.3	173.1	-171.4	176.1	24.4	0	0	109.3	Q61 L63 A106 V107 F109	Q57-Q61 PolarHBondContact NE2-O 2.78Å; Q57-L63 HydrophobicContact CB-CD1 4.09Å; Q57-A106 WeakPolarHBondContact O-CB 3.44Å; Q57-V107 PolarHBondContact N-O 3Å; Q57-V107 PolarHBondContact O-N 2.93Å; Q57-V107 VanDerWaalsContact O-N 3.09Å; Q57-F109 HydrophobicContact CB-CE2 3.97Å
58	Y	97.7	Very high	97.5	Very high	25 Å²	25	59.1 Å²	59.1	10%	0.098	30%	0.297	C	S	.	.			trans	-71.6	157.8	174.1	-64.5	-73.5	0	0	0	111.2	V56 R60 Q61 S103 A106	V56-Y58 HydrophobicContact CB-CE2 4.46Å; V56-Y58 HydrophobicContact CG1-CD2 4.37Å; V56-Y58 HydrophobicContact CG1-CE2 3.7Å; V56-Y58 HydrophobicContact CG2-CD1 4.4Å; V56-Y58 HydrophobicContact CG2-CD2 4.26Å; V56-Y58 HydrophobicContact CG2-CE1 4Å; V56-Y58 HydrophobicContact CG2-CE2 3.87Å; Y58-R60 PolarHBondContact O-N 3.35Å; Y58-Q61 PolarHBondContact O-N 2.92Å; Y58-S103 WeakPolarHBondContact CE1-O 3.5Å; Y58-A106 HydrophobicContact CD1-CB 3.64Å; Y58-A106 HydrophobicContact CE1-CB 3.91Å; Y58-A106 HydrophobicContact CG-CB 4.3Å
59	P	97.5	Very high	97.8	Very high	51 Å²	51	57.9 Å²	57.9	33%	0.331	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	127.8	179.5	-24.5	33.5	0	0	0	111.8	Q61 W105	P59-Q61 PolarHBondContact O-N 2.79Å; P59-W105 HydrophobicContact CB-CZ3 3.93Å; P59-W105 HydrophobicContact CG-CE3 3.33Å; P59-W105 HydrophobicContact CG-CH2 4.01Å; P59-W105 HydrophobicContact CG-CZ3 3.05Å
60	R	97.1	Very high	97.9	Very high	251 Å²	251	59.5 Å²	59.5	95%	0.947	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	18.2	-179.6	-52.8	-178.3	-69.2	-95.2	-0.4	114.6	Y58	Y58-R60 PolarHBondContact O-N 3.35Å
61	Q	97.3	Very high	97.9	Very high	96 Å²	96	62.1 Å²	62.1	45%	0.449	30%	0.296	S	S	.	.	S	Bend	trans	-113.1	162.4	174.8	-62	-175.7	48	0	0	110.9	Q57 Y58 P59	Q57-Q61 PolarHBondContact NE2-O 2.78Å; Y58-Q61 PolarHBondContact O-N 2.92Å; P59-Q61 PolarHBondContact O-N 2.79Å
62	G	97.7	Very high	97.7	Very high	51 Å²	51	60.4 Å²	60.4	53%	0.526	31%	0.305	S	S	.	.			trans	-71.2	168.2	171.3	0	0	0	0	0	112.5	Q64	G62-Q64 PolarHBondContact O-N 2.84Å
63	L	98.1	Very high	97.6	Very high	97 Å²	97	66.6 Å²	66.6	51%	0.508	34%	0.339	S	S	.	.			trans	-66.5	129.4	173.2	-167.5	70.1	0	0	0	110	Y55 Q57 F109	Y55-L63 HydrophobicContact CD1-CD2 3.98Å; Y55-L63 HydrophobicContact CD1-CG 3.96Å; Y55-L63 HydrophobicContact CG-CD1 4.41Å; Y55-L63 HydrophobicContact CG-CD2 4.08Å; Y55-L63 HydrophobicContact CG-CG 4.13Å; Q57-L63 HydrophobicContact CB-CD1 4.09Å; L63-F109 HydrophobicContact CD1-CD2 3.54Å; L63-F109 HydrophobicContact CD1-CE2 3.86Å; L63-F109 HydrophobicContact CD1-CG 4.47Å
64	Q	98.2	Very high	97.5	Very high	78 Å²	78	68.1 Å²	68.1	36%	0.364	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	140.7	-178.7	-64.9	172.2	9	0	0	109.9	Y55 V56 G62 L66	Y55-Q64 CarbonylContact C-O 3.48Å; Y55-Q64 WeakPolarHBondContact CA-O 3.38Å; Y55-Q64 WeakPolarHBondContact CB-O 3.08Å; V56-Q64 HydrophobicContact CG1-CB 4.07Å; V56-Q64 PolarHBondContact N-O 2.02Å; V56-Q64 PolarHBondContact O-N 3.29Å; G62-Q64 PolarHBondContact O-N 2.84Å; Q64-L66 PolarHBondContact O-N 3.42Å
65	L	98.2	Very high	97.5	Very high	82 Å²	82	71.3 Å²	71.3	43%	0.429	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	123.6	172.3	179.9	67.3	0	0	0	109.2	F53 Y55 L67 K68	F53-L65 HydrophobicContact CB-CD1 4.37Å; F53-L65 HydrophobicContact CD1-CD1 4.05Å; Y55-L65 HydrophobicContact CD1-CB 4.25Å; Y55-L65 HydrophobicContact CD1-CD1 4.22Å; Y55-L65 HydrophobicContact CE1-CB 4.1Å; Y55-L65 HydrophobicContact CE1-CD1 3.83Å; L65-L67 WeakPolarHBondContact CD1-O 3.29Å; L65-K68 HydrophobicContact CD2-CD 4.31Å
66	L	98.2	Very high	97.5	Very high	7 Å²	7	69.2 Å²	69.2	4%	0.037	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-49.2	178.8	-177.9	64.1	0	0	0	111.6	W54 V56 Q64 G78 V79 F82 L95 Y108	W54-L66 HydrophobicContact CB-CB 4.35Å; W54-L66 HydrophobicContact CB-CD2 4.37Å; W54-L66 WeakPolarHBondContact O-CA 2.97Å; W54-L66 VanDerWaalsContact O-CB 3.3Å; W54-L66 WeakPolarHBondContact O-CB 3.36Å; W54-L66 PolarHBondContact O-N 2.95Å; V56-L66 HydrophobicContact CG1-CB 4.27Å; V56-L66 HydrophobicContact CG1-CD1 4.33Å; Q64-L66 PolarHBondContact O-N 3.42Å; L66-G78 WeakPolarHBondContact O-CA 3.43Å; L66-V79 HydrophobicContact CD1-CB 4.23Å; L66-V79 PolarHBondContact O-N 3.3Å; L66-F82 HydrophobicContact CD1-CB 4.21Å; L66-F82 HydrophobicContact CD1-CD2 3.82Å; L66-F82 HydrophobicContact CD1-CG 4.18Å; L66-F82 HydrophobicContact CD2-CB 4.03Å; L66-F82 HydrophobicContact CD2-CD1 4.17Å; L66-F82 HydrophobicContact CD2-CD2 4.16Å; L66-F82 HydrophobicContact CD2-CG 3.86Å; L66-F82 HydrophobicContact CG-CB 4.21Å; L66-F82 HydrophobicContact CG-CD2 4.49Å; L66-F82 HydrophobicContact CG-CG 4.39Å; L66-L95 HydrophobicContact CD2-CD1 3.81Å; L66-L95 HydrophobicContact CD2-CD2 3.69Å; L66-L95 HydrophobicContact CD2-CG 4.38Å; L66-Y108 HydrophobicContact CD2-CD1 3.94Å; L66-Y108 HydrophobicContact CD2-CE1 3.81Å
67	L	98.6	Very high	97.5	Very high	8 Å²	8	75 Å²	75	4%	0.042	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	167.5	176	57	75.5	0	0	0	111.4	W54 L65 V76 A84 F93 L95	W54-L67 HydrophobicContact CB-CD1 3.92Å; W54-L67 HydrophobicContact CB-CG 4.15Å; W54-L67 HydrophobicContact CG-CD1 4.25Å; W54-L67 PolarHBondContact N-O 2.86Å; W54-L67 PolarHBondContact O-N 3.09Å; L65-L67 WeakPolarHBondContact CD1-O 3.29Å; L67-V76 HydrophobicContact CD1-CG2 3.93Å; L67-V76 HydrophobicContact CD2-CG2 4.46Å; L67-A84 HydrophobicContact CD1-CB 3.7Å; L67-A84 HydrophobicContact CD2-CB 3.95Å; L67-A84 HydrophobicContact CG-CB 4.5Å; L67-F93 HydrophobicContact CD1-CE1 3.65Å; L67-F93 HydrophobicContact CD1-CZ 3.61Å; L67-L95 HydrophobicContact CD2-CD1 3.67Å; L67-L95 HydrophobicContact CG-CD1 4.18Å
68	K	98.2	Very high	97.4	Very high	90 Å²	90	72.4 Å²	72.4	39%	0.391	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	149.9	179.5	60.3	-178	177.6	168.5	0	111.6	L52 F53 L65 Y70	L52-K68 CarbonylContact O-C 3.55Å; L52-K68 VanDerWaalsContact O-CA 3.25Å; L52-K68 WeakPolarHBondContact O-CA 3.44Å; F53-K68 HydrophobicContact CD1-CB 3.62Å; F53-K68 HydrophobicContact CE1-CB 3.89Å; F53-K68 HydrophobicContact CE1-CD 4.39Å; L65-K68 HydrophobicContact CD2-CD 4.31Å; K68-Y70 HydrophobicContact CD-CE2 3.54Å; K68-Y70 VanDerWaalsContact CE-CE2 3.48Å; K68-Y70 HydrophobicContact CG-CE2 4.06Å; K68-Y70 PolarHBondContact NZ-OH 3.1Å
69	Y	98.4	Very high	97.2	Very high	13 Å²	13	75.1 Å²	75.1	5%	0.051	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	128.1	173	169.6	-95.9	0	0	0	110	L52 D73 V76 F86 F93	L52-Y69 HydrophobicContact CD1-CD1 4.09Å; L52-Y69 PolarHBondContact N-O 2.96Å; L52-Y69 PolarHBondContact O-N 3.19Å; Y69-D73 VanDerWaalsContact CE2-O 3.31Å; Y69-D73 WeakPolarHBondContact CE2-O 3.36Å; Y69-V76 HydrophobicContact CD2-CG1 4.05Å; Y69-F86 HydrophobicContact CD1-CB 4.27Å; Y69-F86 AromaticContact CD1-CD2 3.99Å; Y69-F86 HydrophobicContact CD1-CD2 3.99Å; Y69-F86 HydrophobicContact CD1-CG 4.09Å; Y69-F86 HydrophobicContact CD2-CB 3.76Å; Y69-F86 HydrophobicContact CD2-CG 4.27Å; Y69-F86 HydrophobicContact CE1-CB 4.13Å; Y69-F86 AromaticContact CE1-CD1 3.86Å; Y69-F86 HydrophobicContact CE1-CD1 3.86Å; Y69-F86 AromaticContact CE1-CD2 3.63Å; Y69-F86 HydrophobicContact CE1-CD2 3.63Å; Y69-F86 HydrophobicContact CE1-CE1 4.13Å; Y69-F86 AromaticContact CE1-CE2 3.92Å; Y69-F86 HydrophobicContact CE1-CE2 3.92Å; Y69-F86 AromaticContact CE1-CG 3.58Å; Y69-F86 HydrophobicContact CE1-CG 3.58Å; Y69-F86 HydrophobicContact CE1-CZ 4.15Å; Y69-F86 HydrophobicContact CE2-CB 3.61Å; Y69-F86 AromaticContact CE2-CD1 3.88Å; Y69-F86 HydrophobicContact CE2-CD1 3.88Å; Y69-F86 AromaticContact CE2-CG 3.78Å; Y69-F86 HydrophobicContact CE2-CG 3.78Å; Y69-F86 HydrophobicContact CG-CB 4.09Å; Y69-F86 HydrophobicContact CG-CG 4.41Å; Y69-F86 AromaticContact CZ-CD1 3.35Å; Y69-F86 AromaticContact CZ-CD2 3.98Å; Y69-F86 AromaticContact CZ-CE1 3.82Å; Y69-F86 AromaticContact CZ-CG 3.42Å; Y69-F86 VanDerWaalsContact CZ-CG 3.42Å; Y69-F86 WeakPolarHBondContact OH-CD1 3.35Å; Y69-F86 VanDerWaalsContact OH-CE1 3.26Å; Y69-F86 WeakPolarHBondContact OH-CE1 3.37Å; Y69-F93 VanDerWaalsContact CB-CZ 3.48Å; Y69-F93 HydrophobicContact CG-CE2 4.18Å
70	Y	96.4	Very high	97.1	Very high	116 Å²	116	77.2 Å²	77.2	46%	0.455	41%	0.414	S	S	.	.			trans	-109.8	154	161.4	-63.1	-76.5	0	0	0	107.8	Y51 K68 G72	Y51-Y70 AromaticContact CD1-CD1 3.26Å; Y51-Y70 HydrophobicContact CD1-CD1 3.26Å; Y51-Y70 AromaticContact CD1-CE1 3.8Å; Y51-Y70 HydrophobicContact CD1-CE1 3.8Å; Y51-Y70 HydrophobicContact CD1-CG 4.27Å; Y51-Y70 AromaticContact CE1-CD1 3.47Å; Y51-Y70 HydrophobicContact CE1-CD1 3.47Å; Y51-Y70 VanDerWaalsContact CE1-CD1 3.47Å; Y51-Y70 HydrophobicContact CE1-CE1 4.14Å; Y51-Y70 HydrophobicContact CE1-CG 4.49Å; Y51-Y70 HydrophobicContact CG-CD1 4.37Å; K68-Y70 HydrophobicContact CD-CE2 3.54Å; K68-Y70 VanDerWaalsContact CE-CE2 3.48Å; K68-Y70 HydrophobicContact CG-CE2 4.06Å; K68-Y70 PolarHBondContact NZ-OH 3.1Å; Y70-G72 PolarHBondContact O-N 3.33Å; Y70-G72 VanDerWaalsContact O-N 3.11Å
71	P	94.7	Very high	97.1	Very high	67 Å²	67	67.7 Å²	67.7	44%	0.435	39%	0.393	S	S	.	.	S	Bend	trans	-48.2	121	173.4	-26.8	34.4	0	0	0	111.6	T49 Y51	T49-P71 HydrophobicContact CG2-CB 4.1Å; T49-P71 HydrophobicContact CG2-CG 3.08Å; Y51-P71 HydrophobicContact CE1-CG 4.31Å
72	G	95	Very high	97.2	Very high	54 Å²	54	63.1 Å²	63.1	56%	0.557	37%	0.372	S	S	*	.	S	Bend	trans	155.2	-139.4	-169.1	0	0	0	0	0	110.1	Y70	Y70-G72 PolarHBondContact O-N 3.33Å; Y70-G72 VanDerWaalsContact O-N 3.11Å
73	D	96.3	Very high	97.2	Very high	131 Å²	131	63.7 Å²	63.7	70%	0.701	36%	0.361	S	S	*	.			trans	-55.7	126.5	-179	-65.6	-36.4	0	0	0	111.3	Y69 V75	Y69-D73 VanDerWaalsContact CE2-O 3.31Å; Y69-D73 WeakPolarHBondContact CE2-O 3.36Å; D73-V75 VanDerWaalsContact C-N 3.26Å; D73-V75 PolarHBondContact O-N 2.87Å
74	P	96.8	Very high	97.2	Very high	65 Å²	65	59.1 Å²	59.1	42%	0.422	34%	0.337	S	S	.	.	S	Bend	trans	-68.5	-27.7	-175.1	26.4	-33.9	0	0	0	112.2	E85 F86	P74-E85 CarbonylContact O-C 3.52Å; P74-E85 WeakPolarHBondContact O-CA 3.22Å; P74-F86 PolarHBondContact O-N 3.43Å
75	V	98	Very high	97.2	Very high	66 Å²	66	59.9 Å²	59.9	40%	0.4	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	122.3	178.4	-177.6	0	0	0	0	109.2	D73 A84 E85	D73-V75 VanDerWaalsContact C-N 3.26Å; D73-V75 PolarHBondContact O-N 2.87Å; V75-A84 WeakPolarHBondContact CA-O 3.31Å; V75-E85 HydrophobicContact CG2-CB 4.42Å; V75-E85 HydrophobicContact CG2-CG 4.09Å
76	V	98.3	Very high	97.2	Very high	24 Å²	24	57.2 Å²	57.2	15%	0.145	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	137.1	177	-62.6	0	0	0	0	110.9	L67 Y69 E83 A84 F93	L67-V76 HydrophobicContact CD1-CG2 3.93Å; L67-V76 HydrophobicContact CD2-CG2 4.46Å; Y69-V76 HydrophobicContact CD2-CG1 4.05Å; V76-E83 CarbonylContact O-C 3.49Å; V76-E83 WeakPolarHBondContact O-CA 3.48Å; V76-E83 WeakPolarHBondContact O-CB 3.4Å; V76-A84 HydrophobicContact CG2-CB 4.14Å; V76-A84 PolarHBondContact N-O 3.33Å; V76-A84 PolarHBondContact O-N 2.89Å; V76-F93 HydrophobicContact CG2-CE2 3.93Å; V76-F93 HydrophobicContact CG2-CZ 3.68Å
77	Q	98.1	Very high	97.2	Very high	126 Å²	126	58 Å²	58	59%	0.589	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	138.6	177.1	-62.7	-62.4	-34.4	0	0	110	E83	Q77-E83 PolarHBondContact NE2-OE2 3.39Å
78	G	95.9	Very high	97	Very high	23 Å²	23	65.3 Å²	65.3	24%	0.237	36%	0.363	C	S	.	.			trans	-114.7	-171.7	178.5	0	0	0	0	0	113.1	L66 F82	L66-G78 WeakPolarHBondContact O-CA 3.43Å; G78-F82 WeakPolarHBondContact CA-O 3.17Å; G78-F82 PolarHBondContact N-O 3.35Å
79	V	95.1	Very high	96.9	Very high	81 Å²	81	66.1 Å²	66.1	49%	0.491	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-71.7	150.5	175.9	-174.2	0	0	0	0	110.1	L66 G81 F82	L66-V79 HydrophobicContact CD1-CB 4.23Å; L66-V79 PolarHBondContact O-N 3.3Å; V79-G81 VanDerWaalsContact C-N 3.28Å; V79-G81 PolarHBondContact O-N 3.14Å; V79-F82 WeakPolarHBondContact O-CD2 3.3Å; V79-F82 PolarHBondContact O-N 3.29Å
80	N	95	Very high	96.9	Very high	96 Å²	96	70.4 Å²	70.4	51%	0.513	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	58.1	31.4	174.2	-59.8	-22.3	0	0	0	115	F82 K97	N80-F82 VanDerWaalsContact C-N 3.25Å; N80-F82 HydrophobicContact CB-CD2 4.33Å; N80-F82 PolarHBondContact O-N 2.75Å; N80-K97 WeakPolarHBondContact O-CE 3.42Å; N80-K97 PolarHBondContact O-NZ 2.86Å
81	G	97.2	Very high	96.9	Very high	50 Å²	50	67.2 Å²	67.2	52%	0.515	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	72.4	17.2	176.6	0	0	0	0	0	114.3	V79	V79-G81 VanDerWaalsContact C-N 3.28Å; V79-G81 PolarHBondContact O-N 3.14Å
82	F	98.5	Very high	97.1	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	145.4	164.5	-77.2	-82.4	0	0	0	110.1	L38 L66 G78 V79 N80 L95 R96 K97 D104 Y108	L38-F82 HydrophobicContact CD2-CE1 4.4Å; L66-F82 HydrophobicContact CD1-CB 4.21Å; L66-F82 HydrophobicContact CD1-CD2 3.82Å; L66-F82 HydrophobicContact CD1-CG 4.18Å; L66-F82 HydrophobicContact CD2-CB 4.03Å; L66-F82 HydrophobicContact CD2-CD1 4.17Å; L66-F82 HydrophobicContact CD2-CD2 4.16Å; L66-F82 HydrophobicContact CD2-CG 3.86Å; L66-F82 HydrophobicContact CG-CB 4.21Å; L66-F82 HydrophobicContact CG-CD2 4.49Å; L66-F82 HydrophobicContact CG-CG 4.39Å; G78-F82 WeakPolarHBondContact CA-O 3.17Å; G78-F82 PolarHBondContact N-O 3.35Å; V79-F82 WeakPolarHBondContact O-CD2 3.3Å; V79-F82 PolarHBondContact O-N 3.29Å; N80-F82 VanDerWaalsContact C-N 3.25Å; N80-F82 HydrophobicContact CB-CD2 4.33Å; N80-F82 PolarHBondContact O-N 2.75Å; F82-L95 HydrophobicContact CB-CD1 4.16Å; F82-L95 HydrophobicContact CD1-CD1 4.11Å; F82-L95 HydrophobicContact CD1-CD2 3.75Å; F82-L95 HydrophobicContact CD1-CG 3.82Å; F82-L95 HydrophobicContact CE1-CD2 4.01Å; F82-L95 HydrophobicContact CE1-CG 4.46Å; F82-R96 WeakPolarHBondContact CA-O 3.3Å; F82-K97 HydrophobicContact CD1-CB 3.81Å; F82-K97 HydrophobicContact CD1-CD 4.08Å; F82-K97 HydrophobicContact CD1-CG 4.45Å; F82-K97 HydrophobicContact CD2-CD 3.99Å; F82-K97 HydrophobicContact CE1-CB 3.78Å; F82-K97 HydrophobicContact CE1-CD 3.76Å; F82-K97 HydrophobicContact CE1-CG 4.38Å; F82-K97 HydrophobicContact CE2-CD 3.66Å; F82-K97 HydrophobicContact CG-CB 4.48Å; F82-K97 HydrophobicContact CG-CD 4.19Å; F82-K97 HydrophobicContact CZ-CB 4.42Å; F82-K97 HydrophobicContact CZ-CD 3.52Å; F82-D104 HydrophobicContact CE2-CB 4.49Å; F82-D104 WeakPolarHBondContact CE2-OD1 3.41Å; F82-D104 HydrophobicContact CZ-CB 4.13Å; F82-Y108 AromaticContact CE1-CE1 3.99Å; F82-Y108 HydrophobicContact CE1-CE1 3.99Å; F82-Y108 HydrophobicContact CE2-CE1 4.29Å; F82-Y108 AromaticContact CZ-CE1 3.8Å; F82-Y108 HydrophobicContact CZ-CE1 3.8Å; F82-Y108 AromaticContact CZ-CZ 3.71Å; F82-Y108 WeakPolarHBondContact CZ-OH 3.42Å
83	E	98.5	Very high	97.2	Very high	64 Å²	64	61.8 Å²	61.8	30%	0.299	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	161.2	172.1	67.3	-176.9	-170.5	0	0	109.9	V76 Q77 L95 R96	V76-E83 CarbonylContact O-C 3.49Å; V76-E83 WeakPolarHBondContact O-CA 3.48Å; V76-E83 WeakPolarHBondContact O-CB 3.4Å; Q77-E83 PolarHBondContact NE2-OE2 3.39Å; E83-L95 CarbonylContact O-C 3.52Å; E83-R96 HydrophobicContact CG-CB 3.96Å; E83-R96 PolarHBondContact N-O 3.26Å; E83-R96 PolarHBondContact O-N 2.91Å
84	A	98.6	Very high	97.3	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.008	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	146.7	171.3	0	0	0	0	0	111.1	L67 V75 V76 F93 H94 L95	L67-A84 HydrophobicContact CD1-CB 3.7Å; L67-A84 HydrophobicContact CD2-CB 3.95Å; L67-A84 HydrophobicContact CG-CB 4.5Å; V75-A84 WeakPolarHBondContact CA-O 3.31Å; V76-A84 HydrophobicContact CG2-CB 4.14Å; V76-A84 PolarHBondContact N-O 3.33Å; V76-A84 PolarHBondContact O-N 2.89Å; A84-F93 HydrophobicContact CB-CD1 4.4Å; A84-F93 HydrophobicContact CB-CD2 4.09Å; A84-F93 HydrophobicContact CB-CE1 3.98Å; A84-F93 HydrophobicContact CB-CE2 3.59Å; A84-F93 HydrophobicContact CB-CG 4.47Å; A84-F93 HydrophobicContact CB-CZ 3.55Å; A84-H94 VanDerWaalsContact CA-O 3.23Å; A84-H94 WeakPolarHBondContact CA-O 3.43Å; A84-H94 WeakPolarHBondContact CB-O 3.41Å; A84-L95 HydrophobicContact CB-CD1 4.41Å
85	E	97.7	Very high	97.4	Very high	93 Å²	93	54.5 Å²	54.5	44%	0.435	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	120.7	178.8	-173.5	-178.6	178.2	0	0	110.3	P74 V75 F93 H94	P74-E85 CarbonylContact O-C 3.52Å; P74-E85 WeakPolarHBondContact O-CA 3.22Å; V75-E85 HydrophobicContact CG2-CB 4.42Å; V75-E85 HydrophobicContact CG2-CG 4.09Å; E85-F93 WeakPolarHBondContact O-CA 3.09Å; E85-H94 PolarHBondContact N-O 3.13Å
86	F	98.1	Very high	97.4	Very high	27 Å²	27	56.3 Å²	56.3	12%	0.118	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	124.4	170.6	171.3	-105.1	0	0	0	110.7	Y44 P50 L52 Y69 P74 K88 F93	Y44-F86 HydrophobicContact CE1-CD2 4.29Å; Y44-F86 AromaticContact CE1-CE2 3.83Å; Y44-F86 HydrophobicContact CE1-CE2 3.83Å; Y44-F86 AromaticContact CZ-CE2 3.83Å; Y44-F86 VanDerWaalsContact OH-CE2 3.32Å; Y44-F86 WeakPolarHBondContact OH-CE2 3.24Å; P50-F86 HydrophobicContact CG-CE2 3.8Å; P50-F86 HydrophobicContact CG-CZ 4.21Å; L52-F86 HydrophobicContact CD1-CD2 3.57Å; L52-F86 HydrophobicContact CD1-CE2 3.91Å; Y69-F86 HydrophobicContact CD1-CB 4.27Å; Y69-F86 AromaticContact CD1-CD2 3.99Å; Y69-F86 HydrophobicContact CD1-CD2 3.99Å; Y69-F86 HydrophobicContact CD1-CG 4.09Å; Y69-F86 HydrophobicContact CD2-CB 3.76Å; Y69-F86 HydrophobicContact CD2-CG 4.27Å; Y69-F86 HydrophobicContact CE1-CB 4.13Å; Y69-F86 AromaticContact CE1-CD1 3.86Å; Y69-F86 HydrophobicContact CE1-CD1 3.86Å; Y69-F86 AromaticContact CE1-CD2 3.63Å; Y69-F86 HydrophobicContact CE1-CD2 3.63Å; Y69-F86 HydrophobicContact CE1-CE1 4.13Å; Y69-F86 AromaticContact CE1-CE2 3.92Å; Y69-F86 HydrophobicContact CE1-CE2 3.92Å; Y69-F86 AromaticContact CE1-CG 3.58Å; Y69-F86 HydrophobicContact CE1-CG 3.58Å; Y69-F86 HydrophobicContact CE1-CZ 4.15Å; Y69-F86 HydrophobicContact CE2-CB 3.61Å; Y69-F86 AromaticContact CE2-CD1 3.88Å; Y69-F86 HydrophobicContact CE2-CD1 3.88Å; Y69-F86 AromaticContact CE2-CG 3.78Å; Y69-F86 HydrophobicContact CE2-CG 3.78Å; Y69-F86 HydrophobicContact CG-CB 4.09Å; Y69-F86 HydrophobicContact CG-CG 4.41Å; Y69-F86 AromaticContact CZ-CD1 3.35Å; Y69-F86 AromaticContact CZ-CD2 3.98Å; Y69-F86 AromaticContact CZ-CE1 3.82Å; Y69-F86 AromaticContact CZ-CG 3.42Å; Y69-F86 VanDerWaalsContact CZ-CG 3.42Å; Y69-F86 WeakPolarHBondContact OH-CD1 3.35Å; Y69-F86 VanDerWaalsContact OH-CE1 3.26Å; Y69-F86 WeakPolarHBondContact OH-CE1 3.37Å; P74-F86 PolarHBondContact O-N 3.43Å; F86-K88 HydrophobicContact CE1-CB 3.86Å; F86-K88 HydrophobicContact CZ-CB 3.76Å; F86-K88 HydrophobicContact CZ-CG 4.32Å; F86-F93 HydrophobicContact CB-CD2 4.07Å; F86-F93 HydrophobicContact CB-CE2 4.34Å
87	S	97.6	Very high	97.4	Very high	23 Å²	23	55.9 Å²	55.9	16%	0.161	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	107.4	172.8	-176.3	0	0	0	0	110.2	S89 N90 S91 S92	S87-S89 PolarHBondContact OG-OG 3.49Å; S87-N90 PolarHBondContact OG-ND2 2.94Å; S87-N90 VanDerWaalsContact OG-ND2 3.07Å; S87-S91 WeakPolarHBondContact O-CA 3.31Å; S87-S91 PolarHBondContact O-N 2.96Å; S87-S92 WeakPolarHBondContact CB-OG 3.23Å; S87-S92 PolarHBondContact N-O 2.92Å; S87-S92 PolarHBondContact O-N 2.92Å
88	K	95.6	Very high	97.4	Very high	162 Å²	162	53.9 Å²	53.9	70%	0.704	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-44.5	177.4	-171.9	174.2	-178.7	176.1	0	112.1	F86 N90 S91	F86-K88 HydrophobicContact CE1-CB 3.86Å; F86-K88 HydrophobicContact CZ-CB 3.76Å; F86-K88 HydrophobicContact CZ-CG 4.32Å; K88-N90 VanDerWaalsContact C-N 3.29Å; K88-N90 PolarHBondContact O-N 3.28Å; K88-S91 PolarHBondContact O-N 3.05Å
89	S	95.6	Very high	97.5	Very high	107 Å²	107	55 Å²	55	75%	0.748	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-34.3	-177.9	51.9	0	0	0	0	112.8	S87	S87-S89 PolarHBondContact OG-OG 3.49Å
90	N	97.3	Very high	97.7	Very high	102 Å²	102	51.8 Å²	51.8	55%	0.545	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-2.3	178.1	-64.9	-50.9	0	0	0	113.6	S87 K88 S92	S87-N90 PolarHBondContact OG-ND2 2.94Å; S87-N90 VanDerWaalsContact OG-ND2 3.07Å; K88-N90 VanDerWaalsContact C-N 3.29Å; K88-N90 PolarHBondContact O-N 3.28Å; N90-S92 PolarHBondContact O-N 3.18Å
91	S	97.2	Very high	97.8	Very high	50 Å²	50	51.6 Å²	51.6	35%	0.35	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.6	50.6	-170.8	-53.5	0	0	0	0	111.6	K43 Y44 S87 K88	K43-S91 CarbonylContact C-O 3.55Å; K43-S91 VanDerWaalsContact CA-O 3.22Å; K43-S91 WeakPolarHBondContact CA-O 3.44Å; Y44-S91 VanDerWaalsContact CD1-C 3.4Å; Y44-S91 WeakPolarHBondContact CD1-O 3.43Å; Y44-S91 PolarHBondContact N-O 2.79Å; Y44-S91 WeakPolarHBondContact O-CB 3.39Å; S87-S91 WeakPolarHBondContact O-CA 3.31Å; S87-S91 PolarHBondContact O-N 2.96Å; K88-S91 PolarHBondContact O-N 3.05Å
92	S	98.3	Very high	97.7	Very high	7 Å²	7	58.6 Å²	58.6	5%	0.049	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	153.7	-171.4	67	0	0	0	0	113.9	C42 S87 N90 H94	C42-S92 VanDerWaalsContact O-CA 3.31Å; C42-S92 WeakPolarHBondContact O-CA 3.31Å; C42-S92 WeakPolarHBondContact O-CB 3.41Å; S87-S92 WeakPolarHBondContact CB-OG 3.23Å; S87-S92 PolarHBondContact N-O 2.92Å; S87-S92 PolarHBondContact O-N 2.92Å; N90-S92 PolarHBondContact O-N 3.18Å; S92-H94 WeakPolarHBondContact CB-CE1 3.2Å
93	F	98.4	Very high	97.6	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	70.9	176.8	-168	-125.4	0	0	0	110.4	C42 L52 W54 L67 Y69 V76 A84 E85 F86	C42-F93 WeakPolarHBondContact CB-O 3.16Å; C42-F93 PolarHBondContact O-N 2.73Å; L52-F93 HydrophobicContact CB-CB 4.36Å; L52-F93 HydrophobicContact CB-CD1 3.5Å; L52-F93 HydrophobicContact CB-CD2 4.34Å; L52-F93 HydrophobicContact CB-CE1 3.72Å; L52-F93 HydrophobicContact CB-CG 3.82Å; L52-F93 HydrophobicContact CB-CZ 4.26Å; L52-F93 HydrophobicContact CD1-CB 3.94Å; L52-F93 HydrophobicContact CD1-CD2 4.26Å; L52-F93 HydrophobicContact CD1-CG 4.02Å; L52-F93 HydrophobicContact CD2-CB 4.23Å; L52-F93 HydrophobicContact CG-CB 4.41Å; L52-F93 HydrophobicContact CG-CD1 4.42Å; L52-F93 HydrophobicContact CG-CG 4.36Å; W54-F93 AromaticContact CD1-CD1 3.51Å; W54-F93 AromaticContact CD1-CE1 3.48Å; W54-F93 VanDerWaalsContact CD1-CE1 3.48Å; W54-F93 AromaticContact NE1-CD1 3.54Å; W54-F93 AromaticContact NE1-CE1 4Å; W54-F93 PolarHBondContact NE1-O 3.28Å; L67-F93 HydrophobicContact CD1-CE1 3.65Å; L67-F93 HydrophobicContact CD1-CZ 3.61Å; Y69-F93 VanDerWaalsContact CB-CZ 3.48Å; Y69-F93 HydrophobicContact CG-CE2 4.18Å; V76-F93 HydrophobicContact CG2-CE2 3.93Å; V76-F93 HydrophobicContact CG2-CZ 3.68Å; A84-F93 HydrophobicContact CB-CD1 4.4Å; A84-F93 HydrophobicContact CB-CD2 4.09Å; A84-F93 HydrophobicContact CB-CE1 3.98Å; A84-F93 HydrophobicContact CB-CE2 3.59Å; A84-F93 HydrophobicContact CB-CG 4.47Å; A84-F93 HydrophobicContact CB-CZ 3.55Å; E85-F93 WeakPolarHBondContact O-CA 3.09Å; F86-F93 HydrophobicContact CB-CD2 4.07Å; F86-F93 HydrophobicContact CB-CE2 4.34Å
94	H	98.5	Very high	97.6	Very high	41 Å²	41	60 Å²	60	19%	0.19	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	131.3	-171.8	-61.5	-12.6	0	0	0	110.8	Q39 L40 C42 A84 E85 S92	Q39-H94 HydrophobicContact CG-CB 4.2Å; L40-H94 WeakPolarHBondContact O-CA 3.23Å; C42-H94 PolarHBondContact N-ND1 2.93Å; C42-H94 VanDerWaalsContact N-ND1 3.19Å; C42-H94 PolarHBondContact O-CE1 3.4Å; C42-H94 VanDerWaalsContact O-CE1 3.3Å; C42-H94 PolarHBondContact O-ND1 3.23Å; C42-H94 VanDerWaalsContact O-ND1 3.1Å; A84-H94 VanDerWaalsContact CA-O 3.23Å; A84-H94 WeakPolarHBondContact CA-O 3.43Å; A84-H94 WeakPolarHBondContact CB-O 3.41Å; E85-H94 PolarHBondContact N-O 3.13Å; S92-H94 WeakPolarHBondContact CB-CE1 3.2Å
95	L	98.6	Very high	97.5	Very high	2 Å²	2	68.9 Å²	68.9	1%	0.01	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	136.4	173.9	-171.4	71.9	0	0	0	109.1	Q39 L40 W54 L66 L67 F82 E83 A84 Y108	Q39-L95 CarbonylContact C-O 3.42Å; Q39-L95 VanDerWaalsContact CA-O 3.24Å; Q39-L95 WeakPolarHBondContact CA-O 3.33Å; L40-L95 HydrophobicContact CB-CB 4.27Å; L40-L95 HydrophobicContact CD1-CD2 4.17Å; L40-L95 PolarHBondContact N-O 3.02Å; L40-L95 PolarHBondContact O-N 2.83Å; W54-L95 HydrophobicContact CB-CD1 4.15Å; W54-L95 HydrophobicContact CD2-CB 3.87Å; W54-L95 HydrophobicContact CD2-CD1 4.36Å; W54-L95 HydrophobicContact CD2-CD2 4.15Å; W54-L95 HydrophobicContact CD2-CG 4.36Å; W54-L95 HydrophobicContact CE3-CB 4.43Å; W54-L95 HydrophobicContact CE3-CD2 4.15Å; W54-L95 HydrophobicContact CG-CB 4.21Å; W54-L95 HydrophobicContact CG-CD1 3.9Å; W54-L95 HydrophobicContact CG-CD2 4.42Å; W54-L95 HydrophobicContact CG-CG 4.41Å; W54-L95 HydrophobicContact CH2-CB 4.36Å; W54-L95 HydrophobicContact CZ2-CB 3.79Å; L66-L95 HydrophobicContact CD2-CD1 3.81Å; L66-L95 HydrophobicContact CD2-CD2 3.69Å; L66-L95 HydrophobicContact CD2-CG 4.38Å; L67-L95 HydrophobicContact CD2-CD1 3.67Å; L67-L95 HydrophobicContact CG-CD1 4.18Å; F82-L95 HydrophobicContact CB-CD1 4.16Å; F82-L95 HydrophobicContact CD1-CD1 4.11Å; F82-L95 HydrophobicContact CD1-CD2 3.75Å; F82-L95 HydrophobicContact CD1-CG 3.82Å; F82-L95 HydrophobicContact CE1-CD2 4.01Å; F82-L95 HydrophobicContact CE1-CG 4.46Å; E83-L95 CarbonylContact O-C 3.52Å; A84-L95 HydrophobicContact CB-CD1 4.41Å; L95-Y108 HydrophobicContact CD2-CD1 3.62Å; L95-Y108 HydrophobicContact CD2-CE1 4.06Å; L95-Y108 HydrophobicContact CD2-CG 4.33Å
96	R	98.3	Very high	97.5	Very high	103 Å²	103	65.7 Å²	65.7	39%	0.389	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	151.5	-179.1	-62.5	174.1	69.9	140.2	3.7	110.5	L38 Q39 F82 E83	L38-R96 VanDerWaalsContact O-CA 3.3Å; L38-R96 WeakPolarHBondContact O-CA 3.35Å; Q39-R96 HydrophobicContact CB-CG 4.41Å; Q39-R96 HydrophobicContact CG-CG 4.03Å; F82-R96 WeakPolarHBondContact CA-O 3.3Å; E83-R96 HydrophobicContact CG-CB 3.96Å; E83-R96 PolarHBondContact N-O 3.26Å; E83-R96 PolarHBondContact O-N 2.91Å
97	K	98.2	Very high	97.4	Very high	16 Å²	16	68.1 Å²	68.1	7%	0.07	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	131.6	167.2	-174.1	163.6	-174.4	170.8	0	109.1	S37 L38 N80 F82 S99 V100 D104	S37-K97 WeakPolarHBondContact CA-O 3.26Å; L38-K97 PolarHBondContact N-O 3.34Å; L38-K97 PolarHBondContact O-N 2.98Å; N80-K97 WeakPolarHBondContact O-CE 3.42Å; N80-K97 PolarHBondContact O-NZ 2.86Å; F82-K97 HydrophobicContact CD1-CB 3.81Å; F82-K97 HydrophobicContact CD1-CD 4.08Å; F82-K97 HydrophobicContact CD1-CG 4.45Å; F82-K97 HydrophobicContact CD2-CD 3.99Å; F82-K97 HydrophobicContact CE1-CB 3.78Å; F82-K97 HydrophobicContact CE1-CD 3.76Å; F82-K97 HydrophobicContact CE1-CG 4.38Å; F82-K97 HydrophobicContact CE2-CD 3.66Å; F82-K97 HydrophobicContact CG-CB 4.48Å; F82-K97 HydrophobicContact CG-CD 4.19Å; F82-K97 HydrophobicContact CZ-CB 4.42Å; F82-K97 HydrophobicContact CZ-CD 3.52Å; K97-S99 WeakPolarHBondContact CE-O 3.4Å; K97-V100 HydrophobicContact CB-CG2 4.37Å; K97-V100 HydrophobicContact CD-CG2 4.42Å; K97-V100 HydrophobicContact CG-CG2 4.44Å; K97-D104 VanDerWaalsContact CE-OD2 3.26Å; K97-D104 WeakPolarHBondContact CE-OD2 3.32Å; K97-D104 IonicContact NZ-OD1 3.87Å; K97-D104 PolarHBondContact NZ-OD1 3.39Å; K97-D104 IonicContact NZ-OD2 2.97Å; K97-D104 PolarHBondContact NZ-OD2 3.07Å
98	A	98.1	Very high	97.5	Very high	84 Å²	84	68 Å²	68	69%	0.694	36%	0.355	S	S	*	.	S	Bend	trans	-70.7	-36.6	-175.7	0	0	0	0	0	113	S37	S37-A98 WeakPolarHBondContact CA-O 3.44Å; S37-A98 WeakPolarHBondContact CB-O 3.19Å
99	S	98	Very high	97.6	Very high	47 Å²	47	64.2 Å²	64.2	33%	0.329	34%	0.338	S	S	.	.	S	Bend	trans	-143	109.7	-179.6	175.7	0	0	0	0	110	G35 K97 H101	G35-S99 WeakPolarHBondContact CA-OG 3.25Å; K97-S99 WeakPolarHBondContact CE-O 3.4Å; S99-H101 PolarHBondContact O-ND1 2.83Å
100	V	97.9	Very high	97.7	Very high	13 Å²	13	59.5 Å²	59.5	8%	0.079	31%	0.305	C	S	.	.			trans	-81.2	141.6	179.7	174.8	0	0	0	0	111.4	V32 G35 A36 L38 K97 D104	V32-V100 HydrophobicContact CG2-CB 4.21Å; V32-V100 HydrophobicContact CG2-CG1 4Å; V32-V100 HydrophobicContact CG2-CG2 4.2Å; G35-V100 PolarHBondContact N-O 2.78Å; A36-V100 PolarHBondContact O-N 2.95Å; L38-V100 HydrophobicContact CB-CG2 3.38Å; L38-V100 HydrophobicContact CD2-CG2 3.94Å; L38-V100 HydrophobicContact CG-CG2 4.28Å; K97-V100 HydrophobicContact CB-CG2 4.37Å; K97-V100 HydrophobicContact CD-CG2 4.42Å; K97-V100 HydrophobicContact CG-CG2 4.44Å; V100-D104 HydrophobicContact CG1-CB 4Å
101	H	97.7	Very high	97.8	Very high	92 Å²	92	56 Å²	56	43%	0.426	29%	0.291	S	S	.	.			trans	-116.2	161	174.9	-62.6	70.9	0	0	0	110.3	S99 S103 D104	S99-H101 PolarHBondContact O-ND1 2.83Å; H101-S103 PolarHBondContact O-N 3.23Å; H101-S103 VanDerWaalsContact O-N 3.12Å; H101-D104 PolarHBondContact N-OD2 3.4Å; H101-D104 VanDerWaalsContact O-CB 3.29Å; H101-D104 WeakPolarHBondContact O-CB 3.42Å; H101-D104 PolarHBondContact O-N 3.31Å
102	W	96	Very high	97.8	Very high	196 Å²	196	54.8 Å²	54.8	74%	0.742	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-55.1	-31	175.1	-73.6	104.7	0	0	0	114	E34 D104 W105	E34-W102 PolarHBondContact OE2-NE1 3.23Å; W102-D104 PolarHBondContact O-N 2.98Å; W102-W105 WeakPolarHBondContact O-CB 3.42Å; W102-W105 PolarHBondContact O-N 3.18Å
103	S	95.8	Very high	97.6	Very high	87 Å²	87	57.7 Å²	57.7	61%	0.608	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-65.7	-15.6	176.5	52.6	0	0	0	0	113.8	Y58 H101 W105	Y58-S103 WeakPolarHBondContact CE1-O 3.5Å; H101-S103 PolarHBondContact O-N 3.23Å; H101-S103 VanDerWaalsContact O-N 3.12Å; S103-W105 VanDerWaalsContact C-N 3.28Å
104	D	97.4	Very high	97.5	Very high	8 Å²	8	60.6 Å²	60.6	4%	0.043	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-84.4	0.1	176.1	-59.1	-44.6	0	0	0	112.9	F82 K97 V100 H101 W102 A106 Y108	F82-D104 HydrophobicContact CE2-CB 4.49Å; F82-D104 WeakPolarHBondContact CE2-OD1 3.41Å; F82-D104 HydrophobicContact CZ-CB 4.13Å; K97-D104 VanDerWaalsContact CE-OD2 3.26Å; K97-D104 WeakPolarHBondContact CE-OD2 3.32Å; K97-D104 IonicContact NZ-OD1 3.87Å; K97-D104 PolarHBondContact NZ-OD1 3.39Å; K97-D104 IonicContact NZ-OD2 2.97Å; K97-D104 PolarHBondContact NZ-OD2 3.07Å; V100-D104 HydrophobicContact CG1-CB 4Å; H101-D104 PolarHBondContact N-OD2 3.4Å; H101-D104 VanDerWaalsContact O-CB 3.29Å; H101-D104 WeakPolarHBondContact O-CB 3.42Å; H101-D104 PolarHBondContact O-N 3.31Å; W102-D104 PolarHBondContact O-N 2.98Å; D104-A106 PolarHBondContact O-N 3.01Å; D104-Y108 PolarHBondContact O-OH 2.75Å
105	W	96.7	Very high	97.5	Very high	187 Å²	187	61.6 Å²	61.6	71%	0.708	32%	0.323	S	S	*	.			trans	-67.8	107.6	176.7	-178.2	73.2	0	0	0	110.9	P59 W102 S103	P59-W105 HydrophobicContact CB-CZ3 3.93Å; P59-W105 HydrophobicContact CG-CE3 3.33Å; P59-W105 HydrophobicContact CG-CH2 4.01Å; P59-W105 HydrophobicContact CG-CZ3 3.05Å; W102-W105 WeakPolarHBondContact O-CB 3.42Å; W102-W105 PolarHBondContact O-N 3.18Å; S103-W105 VanDerWaalsContact C-N 3.28Å
106	A	97.4	Very high	97.4	Very high	25 Å²	25	64.9 Å²	64.9	21%	0.207	34%	0.34	C	S	.	.	S	Bend	trans	-162.5	175.9	-173.8	0	0	0	0	0	111.9	V56 Q57 Y58 D104 Y108	V56-A106 HydrophobicContact CG2-CB 3.48Å; V56-A106 VanDerWaalsContact CG2-CB 3.48Å; Q57-A106 WeakPolarHBondContact O-CB 3.44Å; Y58-A106 HydrophobicContact CD1-CB 3.64Å; Y58-A106 HydrophobicContact CE1-CB 3.91Å; Y58-A106 HydrophobicContact CG-CB 4.3Å; D104-A106 PolarHBondContact O-N 3.01Å; A106-Y108 HydrophobicContact CB-CD2 4.46Å; A106-Y108 HydrophobicContact CB-CE2 3.85Å
107	V	97.9	Very high	97.4	Very high	79 Å²	79	62.6 Å²	62.6	48%	0.479	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	136.1	165.7	-172	0	0	0	0	109	V56 Q57 F109	V56-V107 CarbonylContact C-O 3.58Å; V56-V107 WeakPolarHBondContact CA-O 3.35Å; Q57-V107 PolarHBondContact N-O 3Å; Q57-V107 PolarHBondContact O-N 2.93Å; Q57-V107 VanDerWaalsContact O-N 3.09Å; V107-F109 HydrophobicContact CB-CE2 3.97Å; V107-F109 HydrophobicContact CB-CZ 4.19Å; V107-F109 HydrophobicContact CG1-CD2 4.27Å; V107-F109 HydrophobicContact CG1-CE1 4.01Å; V107-F109 HydrophobicContact CG1-CE2 3.55Å; V107-F109 HydrophobicContact CG1-CZ 3.4Å
108	Y	98.1	Very high	97.3	Very high	21 Å²	21	65.6 Å²	65.6	8%	0.082	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	130.4	-178.6	-66.8	-96.1	0	0	0	110.5	Q25 L40 Y55 V56 L66 F82 L95 D104 A106	Q25-Y108 PolarHBondContact NE2-O 2.85Å; L40-Y108 HydrophobicContact CD1-CD1 4.38Å; L40-Y108 HydrophobicContact CD1-CD2 3.81Å; L40-Y108 HydrophobicContact CD1-CG 3.66Å; Y55-Y108 CarbonylContact O-C 3.5Å; Y55-Y108 WeakPolarHBondContact O-CA 3.32Å; V56-Y108 HydrophobicContact CB-CD1 4.03Å; V56-Y108 HydrophobicContact CB-CE1 3.91Å; V56-Y108 HydrophobicContact CG2-CD1 3.98Å; V56-Y108 HydrophobicContact CG2-CE1 3.55Å; V56-Y108 HydrophobicContact CG2-CE2 4.38Å; L66-Y108 HydrophobicContact CD2-CD1 3.94Å; L66-Y108 HydrophobicContact CD2-CE1 3.81Å; F82-Y108 AromaticContact CE1-CE1 3.99Å; F82-Y108 HydrophobicContact CE1-CE1 3.99Å; F82-Y108 HydrophobicContact CE2-CE1 4.29Å; F82-Y108 AromaticContact CZ-CE1 3.8Å; F82-Y108 HydrophobicContact CZ-CE1 3.8Å; F82-Y108 AromaticContact CZ-CZ 3.71Å; F82-Y108 WeakPolarHBondContact CZ-OH 3.42Å; L95-Y108 HydrophobicContact CD2-CD1 3.62Å; L95-Y108 HydrophobicContact CD2-CE1 4.06Å; L95-Y108 HydrophobicContact CD2-CG 4.33Å; D104-Y108 PolarHBondContact O-OH 2.75Å; A106-Y108 HydrophobicContact CB-CD2 4.46Å; A106-Y108 HydrophobicContact CB-CE2 3.85Å
109	F	98.3	Very high	97.3	Very high	81 Å²	81	64.3 Å²	64.3	36%	0.355	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	125.5	-177.2	-57.9	-89	0	0	0	110.3	W54 Y55 Q57 L63 V107	W54-F109 CarbonylContact C-O 3.5Å; W54-F109 WeakPolarHBondContact CA-O 3.45Å; W54-F109 VanDerWaalsContact CE3-C 3.46Å; Y55-F109 PolarHBondContact N-O 2.88Å; Y55-F109 PolarHBondContact O-N 2.88Å; Q57-F109 HydrophobicContact CB-CE2 3.97Å; L63-F109 HydrophobicContact CD1-CD2 3.54Å; L63-F109 HydrophobicContact CD1-CE2 3.86Å; L63-F109 HydrophobicContact CD1-CG 4.47Å; V107-F109 HydrophobicContact CB-CE2 3.97Å; V107-F109 HydrophobicContact CB-CZ 4.19Å; V107-F109 HydrophobicContact CG1-CD2 4.27Å; V107-F109 HydrophobicContact CG1-CE1 4.01Å; V107-F109 HydrophobicContact CG1-CE2 3.55Å; V107-F109 HydrophobicContact CG1-CZ 3.4Å
110	C	98.3	Very high	97.2	Very high	8 Å²	8	65.6 Å²	65.6	5%	0.054	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	148.8	167.8	-171.2	0	0	0	0	109.5	V23 Q25 C42 F53 W54	V23-C110 WeakPolarHBondContact CG2-O 3.45Å; Q25-C110 HydrophobicContact CG-CB 4.12Å; C42-C110 HydrophobicContact CB-CB 3.51Å; C42-C110 WeakPolarHBondContact CB-SG 3.01Å; C42-C110 WeakPolarHBondContact SG-CB 3.26Å; C42-C110 CovalentContact SG-SG 2.02Å; C42-C110 PolarHBondContact SG-SG 2.86Å; F53-C110 CarbonylContact O-C 3.51Å; F53-C110 WeakPolarHBondContact O-CA 3.41Å; W54-C110 HydrophobicContact CD2-CB 4.16Å; W54-C110 HydrophobicContact CE3-CB 4.16Å; W54-C110 HydrophobicContact CH2-CB 3.9Å; W54-C110 HydrophobicContact CZ2-CB 3.87Å; W54-C110 HydrophobicContact CZ3-CB 4.03Å
111	A	98.2	Very high	97.2	Very high	30 Å²	30	69.6 Å²	69.6	25%	0.248	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	157.2	172.5	0	0	0	0	0	111.3	L52 F53 Y55	L52-A111 WeakPolarHBondContact CA-O 3.1Å; F53-A111 HydrophobicContact CB-CB 4.34Å; F53-A111 PolarHBondContact N-O 3.01Å; F53-A111 PolarHBondContact O-N 3.18Å; Y55-A111 HydrophobicContact CE2-CB 4.22Å
112	V	97.8	Very high	97.1	Very high	24 Å²	24	67.8 Å²	67.8	15%	0.145	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	146.1	174.4	67.2	0	0	0	0	109.5	Q21 V23 Y44 Y46 P50 Y51 L52	Q21-V112 HydrophobicContact CB-CG1 3.82Å; Q21-V112 PolarHBondContact OE1-O 2.7Å; V23-V112 HydrophobicContact CG1-CB 3.94Å; V23-V112 HydrophobicContact CG1-CG1 3.82Å; Y44-V112 HydrophobicContact CD2-CG2 4.43Å; Y46-V112 HydrophobicContact CD1-CG2 4.39Å; P50-V112 HydrophobicContact CB-CG2 3.92Å; Y51-V112 CarbonylContact O-C 3.49Å; Y51-V112 VanDerWaalsContact O-CA 3.3Å; Y51-V112 WeakPolarHBondContact O-CA 3.31Å; L52-V112 HydrophobicContact CD2-CB 3.82Å; L52-V112 HydrophobicContact CD2-CG2 3.82Å; L52-V112 HydrophobicContact CG-CG2 4.38Å
113	S	93.6	Very high	97.2	Very high	67 Å²	67	56.1 Å²	56.1	47%	0.469	31%	0.309	S	S	.	.			trans	-136.1	0	171.3	-178.7	0	0	0	0	111.8	Q21 Y51	Q21-S113 PolarHBondContact NE2-OXT 2.82Å; Q21-S113 PolarHBondContact OE1-OXT 3.12Å; Y51-S113 PolarHBondContact N-O 3.11Å; Y51-S113 PolarHBondContact O-N 3.34Å

Retrieved 113 of 113 residues in 107.8 ms (Link to these results)

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