A0A075B6A4_MOUSE Loading...

T cell receptor alpha variable 12D-3

AlphaFold DB , UniProt , Accession A0A075B6A4, Species MOUSE (Mus musculus, Mouse), Gene Trav12n-3, Length 115 aa.

						>A0A075B6A4_MOUSE|A0A075B6A4|Trav12n-3
MRPVTCSVLVLLLMLRRSNGDGDSVTQTEGLVTLTEGLPVMLNCTYQTIYSNPFLFWYVQHLNESPRLLLKSFTDNKRTEHQGFHATLHKSSSSFHLQKSSAQLSDSALYYCALS
					

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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	45.7	Very low	58.3	Low	236 Å²	236	102.4 Å²	102.4	100%	1.163	55%	0.545	S	S	*	.				0	110.2	0	-66.1	155.9	88.9	0	0	106.7
2	R	47.5	Very low	58.2	Low	239 Å²	239	95.7 Å²	95.7	90%	0.902	51%	0.509	S	S	*	.			trans	-69.7	123	169.6	-76.6	-178.2	170.1	-177.9	-3.4	106	V4	R2-V4 PolarHBondContact O-N 3.12Å; R2-V4 VanDerWaalsContact O-N 3.12Å
3	P	53.7	Low	57.8	Low	109 Å²	109	97.1 Å²	97.1	71%	0.708	52%	0.516	S	S	*	.			trans	-59.1	123.6	174	24.6	-30	0	0	0	106.6	T5	P3-T5 VanDerWaalsContact C-N 3.26Å; P3-T5 PolarHBondContact O-N 2.89Å
4	V	62.6	Low	57.2	Low	129 Å²	129	100.3 Å²	100.3	78%	0.782	53%	0.529	S	S	*	.			trans	-64.1	98	169.5	-180	0	0	0	0	104.6	R2 C6	R2-V4 PolarHBondContact O-N 3.12Å; R2-V4 VanDerWaalsContact O-N 3.12Å; V4-C6 VanDerWaalsContact C-N 3.34Å; V4-C6 PolarHBondContact O-N 3.24Å
5	T	59.7	Low	56.4	Low	88 Å²	88	103.7 Å²	103.7	54%	0.54	55%	0.546	S	S	.	.			trans	-71.8	97.1	173.4	48.6	0	0	0	0	106.6	P3 S7	P3-T5 VanDerWaalsContact C-N 3.26Å; P3-T5 PolarHBondContact O-N 2.89Å; T5-S7 PolarHBondContact O-N 3Å
6	C	71.3	Confident	55.8	Low	55 Å²	55	112.7 Å²	112.7	37%	0.372	57%	0.571	S	S	.	*			trans	-67.2	112.8	165.8	-77.6	0	0	0	0	107.6	V4	V4-C6 VanDerWaalsContact C-N 3.34Å; V4-C6 PolarHBondContact O-N 3.24Å
7	S	62	Low	55.5	Low	59 Å²	59	117.8 Å²	117.8	41%	0.413	58%	0.581	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87	126.7	175.1	-62.9	0	0	0	0	109.4	T5	T5-S7 PolarHBondContact O-N 3Å
8	V	63.5	Low	55.4	Low	4 Å²	4	116.9 Å²	116.9	2%	0.024	59%	0.589	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-83	131.1	173.4	-175.5	0	0	0	0	108.3	T33 L34 D106 S107	V8-T33 WeakPolarHBondContact O-CA 3.23Å; V8-L34 PolarHBondContact N-O 2.84Å; V8-L34 VanDerWaalsContact N-O 3.08Å; V8-D106 HydrophobicContact CG1-CB 4.44Å; V8-S107 WeakPolarHBondContact CG1-OG 3.47Å
9	L	57.4	Low	55.4	Low	98 Å²	98	119 Å²	119	51%	0.513	60%	0.602	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.4	116.8	177.8	-84	104.2	0	0	0	110.8	L31 S107	L9-L31 HydrophobicContact CB-CD1 4.27Å; L9-L31 HydrophobicContact CD2-CD1 4.13Å; L9-L31 HydrophobicContact CD2-CD2 4.27Å; L9-L31 HydrophobicContact CG-CD1 4.31Å; L9-S107 PolarHBondContact N-OG 2.83Å; L9-S107 WeakPolarHBondContact O-CA 3.29Å; L9-S107 WeakPolarHBondContact O-CB 3.46Å
10	V	64.7	Low	55.4	Low	9 Å²	9	115.4 Å²	115.4	6%	0.055	60%	0.595	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.4	103.1	171.7	172.4	0	0	0	0	109.1	L12 L31 V32 A108 Y110	V10-L12 HydrophobicContact CG1-CD2 4.48Å; V10-L12 HydrophobicContact CG1-CG 4.29Å; V10-L31 WeakPolarHBondContact O-CA 3.19Å; V10-L31 WeakPolarHBondContact O-CD1 3.32Å; V10-V32 HydrophobicContact CB-CB 4.36Å; V10-V32 PolarHBondContact N-O 3.14Å; V10-V32 PolarHBondContact O-N 3.22Å; V10-A108 VanDerWaalsContact CA-O 3.29Å; V10-A108 WeakPolarHBondContact CA-O 3.27Å; V10-A108 WeakPolarHBondContact CG1-O 3.45Å; V10-Y110 HydrophobicContact CG1-CD2 3.78Å; V10-Y110 HydrophobicContact CG1-CE2 4.3Å; V10-Y110 HydrophobicContact CG2-CD2 4.45Å; V10-Y110 HydrophobicContact CG2-CE2 4.14Å
11	L	53.1	Low	55.9	Low	100 Å²	100	118 Å²	118	52%	0.524	61%	0.61	S	S	.	*			trans	-85.2	144	176.5	-140.1	82.7	0	0	0	108.6	L31 L109	L11-L31 HydrophobicContact CD1-CD1 4.45Å; L11-L109 VanDerWaalsContact C-CD2 3.42Å; L11-L109 HydrophobicContact CB-CD2 3.79Å; L11-L109 HydrophobicContact CB-CG 4.04Å; L11-L109 HydrophobicContact CD2-CD2 4.46Å; L11-L109 WeakPolarHBondContact O-CA 3.35Å; L11-L109 WeakPolarHBondContact O-CB 3.38Å; L11-L109 WeakPolarHBondContact O-CD2 3.39Å; L11-L109 WeakPolarHBondContact O-CG 3.11Å
12	L	57.5	Low	57.7	Low	22 Å²	22	108.8 Å²	108.8	12%	0.115	58%	0.577	C	S	.	*			trans	-133.6	125.6	175.3	-67	173.8	0	0	0	110	V10 T28 Y110	V10-L12 HydrophobicContact CG1-CD2 4.48Å; V10-L12 HydrophobicContact CG1-CG 4.29Å; L12-T28 WeakPolarHBondContact CD1-O 3.47Å; L12-Y110 VanDerWaalsContact CD2-N 3.31Å; L12-Y110 WeakPolarHBondContact CD2-O 3.43Å
13	L	53.4	Low	59.8	Low	114 Å²	114	100.7 Å²	100.7	60%	0.597	55%	0.551	S	S	*	*			trans	-83.6	134.3	179.4	-77.5	165.6	0	0	0	111.2	L15 L109 Y111	L13-L15 PolarHBondContact O-N 3.1Å; L13-L109 HydrophobicContact CD1-CD2 4.29Å; L13-L109 HydrophobicContact CG-CD2 4.02Å; L13-Y111 HydrophobicContact CB-CE1 4.31Å
14	M	48.7	Very low	61.7	Low	142 Å²	142	97.8 Å²	97.8	70%	0.7	53%	0.533	S	S	*	.			trans	-73.2	104.4	-174.6	-56.9	-77.3	-86.8	0	0	111.4	R16	M14-R16 PolarHBondContact O-N 3.49Å
15	L	45.6	Very low	63.4	Low	151 Å²	151	93.7 Å²	93.7	79%	0.791	51%	0.508	S	S	*	.			trans	-84.1	105.1	165.1	-72.6	170.5	0	0	0	108.8	L13 R17	L13-L15 PolarHBondContact O-N 3.1Å; L15-R17 PolarHBondContact O-N 3.45Å
16	R	47.3	Very low	65.2	Low	248 Å²	248	93 Å²	93	94%	0.936	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-62.5	122.8	-179.7	-168.3	177.1	-177.9	179.7	0.3	110.4	M14 S18	M14-R16 PolarHBondContact O-N 3.49Å; R16-S18 PolarHBondContact O-N 2.91Å
17	R	50.1	Low	66.4	Low	199 Å²	199	92 Å²	92	75%	0.751	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-49.9	126.2	177.3	-168.3	174	176.6	140.1	0.1	112.6	L15	L15-R17 PolarHBondContact O-N 3.45Å
18	S	53.1	Low	68	Low	102 Å²	102	90.8 Å²	90.8	71%	0.713	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-89.7	129	159.5	177.2	0	0	0	0	107.9	R16 G20	R16-S18 PolarHBondContact O-N 2.91Å; S18-G20 PolarHBondContact O-N 3.08Å; S18-G20 PolarHBondContact OG-N 3.37Å
19	N	55.4	Low	69.2	Low	157 Å²	157	97.3 Å²	97.3	84%	0.84	52%	0.515	S	S	*	.			trans	-76	39.6	170.1	-67.4	-24.2	0	0	0	111.1
20	G	54.9	Low	70.8	Confident	46 Å²	46	94.1 Å²	94.1	47%	0.474	51%	0.505	S	S	.	.	S	Bend	trans	-86.3	148.4	173.8	0	0	0	0	0	110.4	S18 G22	S18-G20 PolarHBondContact O-N 3.08Å; S18-G20 PolarHBondContact OG-N 3.37Å; G20-G22 PolarHBondContact O-N 2.8Å
21	D	67.3	Low	72	Confident	170 Å²	170	98 Å²	98	91%	0.909	53%	0.525	S	S	*	.	S	Bend	trans	-69.2	46.2	166.4	-170.6	36.2	0	0	0	111.4
22	G	83.5	Confident	73.9	Confident	44 Å²	44	94.7 Å²	94.7	45%	0.454	51%	0.509	S	S	.	.	S	Bend	trans	-121.1	172.6	-169.7	0	0	0	0	0	112.9	G20 S24	G20-G22 PolarHBondContact O-N 2.8Å; G22-S24 PolarHBondContact O-N 3.07Å
23	D	90.4	Very high	75.6	Confident	69 Å²	69	97.2 Å²	97.2	37%	0.369	53%	0.525	S	S	.	.			trans	-61	131.2	175.2	-72.1	-13.3	0	0	0	111.1	Q47 T48 Y50 L114	D23-Q47 VanDerWaalsContact CA-O 3.31Å; D23-Q47 WeakPolarHBondContact CA-O 3.25Å; D23-T48 VanDerWaalsContact OD1-CA 3.23Å; D23-T48 WeakPolarHBondContact OD1-CA 3.43Å; D23-T48 WeakPolarHBondContact OD1-CB 3.41Å; D23-T48 PolarHBondContact OD1-OG1 2.91Å; D23-Y50 WeakPolarHBondContact OD2-CD2 3.23Å; D23-Y50 VanDerWaalsContact OD2-CE2 3.23Å; D23-Y50 WeakPolarHBondContact OD2-CE2 3.42Å; D23-L114 HydrophobicContact CB-CD2 3.67Å; D23-L114 HydrophobicContact CB-CG 4.45Å
24	S	94.9	Very high	77.5	Confident	47 Å²	47	93.6 Å²	93.6	33%	0.329	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	157.5	179.3	66.2	0	0	0	0	112.4	G22 Y46 Q47	G22-S24 PolarHBondContact O-N 3.07Å; S24-Y46 CarbonylContact O-C 3.5Å; S24-Y46 WeakPolarHBondContact O-CA 3.06Å; S24-Y46 WeakPolarHBondContact O-CB 3.38Å; S24-Q47 PolarHBondContact N-O 2.89Å; S24-Q47 PolarHBondContact O-N 3.24Å
25	V	97.3	Very high	79.7	Confident	43 Å²	43	89.9 Å²	89.9	26%	0.261	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	144.7	170.5	-64.4	0	0	0	0	109.5	T45 L114	V25-T45 CarbonylContact C-O 3.44Å; V25-T45 VanDerWaalsContact CA-O 3.3Å; V25-T45 WeakPolarHBondContact CA-O 3.34Å; V25-L114 HydrophobicContact CG1-CB 3.67Å
26	T	97.1	Very high	82.1	Confident	73 Å²	73	87.7 Å²	87.7	45%	0.448	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	125.5	168.9	-58.9	0	0	0	0	107	C44 T45	T26-C44 CarbonylContact O-C 3.58Å; T26-C44 WeakPolarHBondContact O-CA 3.29Å; T26-T45 PolarHBondContact N-O 2.64Å; T26-T45 PolarHBondContact O-N 2.72Å; T26-T45 PolarHBondContact O-OG1 3.3Å
27	Q	97.7	Very high	84.5	Confident	34 Å²	34	77.9 Å²	77.9	16%	0.159	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	170.2	-178.9	65.4	-174.8	-43.3	0	0	111.4	E29 N43 W57 Y110 C112	Q27-E29 PolarHBondContact O-N 2.79Å; Q27-N43 CarbonylContact C-O 3.5Å; Q27-N43 WeakPolarHBondContact CA-O 3.17Å; Q27-N43 WeakPolarHBondContact CB-O 3.36Å; Q27-W57 HydrophobicContact CB-CH2 4.48Å; Q27-Y110 PolarHBondContact OE1-O 2.77Å; Q27-C112 HydrophobicContact CB-CB 4.39Å
28	T	95.8	Very high	86.7	Confident	34 Å²	34	72.4 Å²	72.4	21%	0.209	44%	0.439	C	S	.	.			trans	-52.6	126.4	170.4	-60.6	0	0	0	0	109.4	L12 V32 L42 N43	L12-T28 WeakPolarHBondContact CD1-O 3.47Å; T28-V32 HydrophobicContact CG2-CG2 3.7Å; T28-L42 HydrophobicContact CG2-CD2 4.43Å; T28-N43 PolarHBondContact N-O 2.79Å; T28-N43 VanDerWaalsContact N-O 3.08Å; T28-N43 PolarHBondContact OG1-N 3.37Å
29	E	88.5	Confident	88.9	Confident	142 Å²	142	71.6 Å²	71.6	66%	0.664	43%	0.431	S	S	*	.			trans	-98.8	154.2	-178	-62	-171.9	158.6	0	0	111.7	Q27	Q27-E29 PolarHBondContact O-N 2.79Å
30	G	90.2	Very high	90.9	Very high	30 Å²	30	64.6 Å²	64.6	31%	0.309	39%	0.394	S	S	.	.	S	Bend	trans	78.6	-163	172.5	0	0	0	0	0	114.8
31	L	90.7	Very high	92.9	Very high	92 Å²	92	68.1 Å²	68.1	48%	0.482	40%	0.4	S	S	.	.			trans	-83.7	121.1	-178.4	173.2	60.6	0	0	0	110.2	L9 V10 L11	L9-L31 HydrophobicContact CB-CD1 4.27Å; L9-L31 HydrophobicContact CD2-CD1 4.13Å; L9-L31 HydrophobicContact CD2-CD2 4.27Å; L9-L31 HydrophobicContact CG-CD1 4.31Å; V10-L31 WeakPolarHBondContact O-CA 3.19Å; V10-L31 WeakPolarHBondContact O-CD1 3.32Å; L11-L31 HydrophobicContact CD1-CD1 4.45Å
32	V	92.4	Very high	94.4	Very high	29 Å²	29	60.1 Å²	60.1	18%	0.176	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	121.6	168.7	-175.9	0	0	0	0	108.3	V10 T28 L34 L42	V10-V32 HydrophobicContact CB-CB 4.36Å; V10-V32 PolarHBondContact N-O 3.14Å; V10-V32 PolarHBondContact O-N 3.22Å; T28-V32 HydrophobicContact CG2-CG2 3.7Å; V32-L34 HydrophobicContact CG1-CD1 4.34Å; V32-L34 HydrophobicContact CG1-CD2 4.31Å; V32-L34 HydrophobicContact CG1-CG 4.07Å; V32-L42 HydrophobicContact CB-CD2 4.45Å; V32-L42 HydrophobicContact CG2-CD2 3.95Å
33	T	94	Very high	95.1	Very high	76 Å²	76	61.5 Å²	61.5	47%	0.466	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	123.8	175.9	-54.6	0	0	0	0	109.6	V8	V8-T33 WeakPolarHBondContact O-CA 3.23Å
34	L	92.9	Very high	95.4	Very high	37 Å²	37	58.2 Å²	58.2	19%	0.194	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	146.4	180	-61.4	171.5	0	0	0	109.7	V8 V32 V40 A102	V8-L34 PolarHBondContact N-O 2.84Å; V8-L34 VanDerWaalsContact N-O 3.08Å; V32-L34 HydrophobicContact CG1-CD1 4.34Å; V32-L34 HydrophobicContact CG1-CD2 4.31Å; V32-L34 HydrophobicContact CG1-CG 4.07Å; L34-V40 HydrophobicContact CD1-CB 4.14Å; L34-V40 HydrophobicContact CD1-CG1 4.2Å; L34-V40 HydrophobicContact CD1-CG2 3.79Å; L34-A102 HydrophobicContact CB-CB 4.38Å; L34-A102 HydrophobicContact CD1-CB 4.45Å
35	T	95.2	Very high	95.6	Very high	65 Å²	65	58.6 Å²	58.6	40%	0.399	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	138.9	165.1	-51.6	0	0	0	0	108.9	G37 L38	T35-G37 PolarHBondContact O-N 2.93Å; T35-L38 VanDerWaalsContact O-CB 3.29Å; T35-L38 WeakPolarHBondContact O-CB 3.27Å; T35-L38 WeakPolarHBondContact O-CG 3.45Å; T35-L38 PolarHBondContact O-N 3.22Å; T35-L38 VanDerWaalsContact O-N 3.1Å
36	E	96	Very high	95.5	Very high	104 Å²	104	57.2 Å²	57.2	49%	0.486	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	140.2	172.5	-163.2	172	-148.4	0	0	111.4	L38 A102	E36-L38 VanDerWaalsContact C-N 3.3Å; E36-L38 PolarHBondContact O-N 3.23Å; E36-A102 WeakPolarHBondContact CA-O 3.27Å; E36-A102 VanDerWaalsContact CG-O 3.27Å; E36-A102 WeakPolarHBondContact CG-O 3.27Å
37	G	96.9	Very high	95.5	Very high	43 Å²	43	59.4 Å²	59.4	44%	0.443	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.8	-19.4	-174.9	0	0	0	0	0	115.1	T35 S101 A102	T35-G37 PolarHBondContact O-N 2.93Å; G37-S101 WeakPolarHBondContact CA-OG 3.35Å; G37-A102 PolarHBondContact N-O 3.17Å
38	L	97.5	Very high	95.3	Very high	84 Å²	84	59.6 Å²	59.6	44%	0.44	34%	0.336	S	S	.	.	S	Bend	trans	-79.3	151.3	177.4	-65	-176.6	0	0	0	111.9	T35 E36 A102	T35-L38 VanDerWaalsContact O-CB 3.29Å; T35-L38 WeakPolarHBondContact O-CB 3.27Å; T35-L38 WeakPolarHBondContact O-CG 3.45Å; T35-L38 PolarHBondContact O-N 3.22Å; T35-L38 VanDerWaalsContact O-N 3.1Å; E36-L38 VanDerWaalsContact C-N 3.3Å; E36-L38 PolarHBondContact O-N 3.23Å; L38-A102 VanDerWaalsContact O-CB 3.27Å; L38-A102 WeakPolarHBondContact O-CB 3.43Å; L38-A102 PolarHBondContact O-N 3.17Å
39	P	97.8	Very high	95.1	Very high	85 Å²	85	64.8 Å²	64.8	55%	0.552	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-68.1	140.9	177.1	27.8	-34.7	0	0	0	111.8	K99	P39-K99 CarbonylContact C-O 3.49Å; P39-K99 VanDerWaalsContact CA-O 3.23Å; P39-K99 WeakPolarHBondContact CA-O 3.33Å
40	V	97	Very high	95.1	Very high	10 Å²	10	64.4 Å²	64.4	6%	0.061	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	134.7	169.3	-173.2	0	0	0	0	108.6	L34 L42 F84 Q98 K99 A102	L34-V40 HydrophobicContact CD1-CB 4.14Å; L34-V40 HydrophobicContact CD1-CG1 4.2Å; L34-V40 HydrophobicContact CD1-CG2 3.79Å; V40-L42 HydrophobicContact CG1-CG 4.21Å; V40-F84 HydrophobicContact CB-CE1 4.34Å; V40-F84 HydrophobicContact CG1-CE1 4.17Å; V40-F84 HydrophobicContact CG2-CE1 4.41Å; V40-Q98 VanDerWaalsContact O-CA 3.27Å; V40-Q98 WeakPolarHBondContact O-CA 3.37Å; V40-K99 HydrophobicContact CB-CB 3.97Å; V40-K99 HydrophobicContact CG2-CB 4.02Å; V40-K99 PolarHBondContact N-O 2.79Å; V40-K99 PolarHBondContact O-N 3.39Å; V40-A102 HydrophobicContact CG2-CB 3.75Å
41	M	97.4	Very high	95.1	Very high	119 Å²	119	67.6 Å²	67.6	59%	0.586	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.1	111.6	169.4	-174.4	-174.1	-68.7	0	0	109	L97	M41-L97 WeakPolarHBondContact CA-O 3.26Å
42	L	98.3	Very high	95.1	Very high	2 Å²	2	68.2 Å²	68.2	1%	0.01	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	122.1	171.5	-56.8	-179.9	0	0	0	108.7	T28 V32 V40 W57 H96 L97 Y110	T28-L42 HydrophobicContact CG2-CD2 4.43Å; V32-L42 HydrophobicContact CB-CD2 4.45Å; V32-L42 HydrophobicContact CG2-CD2 3.95Å; V40-L42 HydrophobicContact CG1-CG 4.21Å; L42-W57 HydrophobicContact CB-CH2 3.85Å; L42-W57 HydrophobicContact CB-CZ2 4.36Å; L42-W57 HydrophobicContact CB-CZ3 4.49Å; L42-W57 HydrophobicContact CD1-CZ3 4.45Å; L42-H96 WeakPolarHBondContact O-CA 3.33Å; L42-L97 HydrophobicContact CB-CB 4.26Å; L42-L97 HydrophobicContact CD1-CD2 4.28Å; L42-L97 PolarHBondContact N-O 3.23Å; L42-L97 PolarHBondContact O-N 3.03Å; L42-Y110 HydrophobicContact CD1-CD2 3.96Å; L42-Y110 HydrophobicContact CD1-CG 3.79Å
43	N	98.2	Very high	95.2	Very high	74 Å²	74	67 Å²	67	40%	0.396	37%	0.368	S	S	.	.			trans	-75.2	140.9	-179.4	-68.8	-26.5	0	0	0	109.7	Q27 T28 H96	Q27-N43 CarbonylContact C-O 3.5Å; Q27-N43 WeakPolarHBondContact CA-O 3.17Å; Q27-N43 WeakPolarHBondContact CB-O 3.36Å; T28-N43 PolarHBondContact N-O 2.79Å; T28-N43 VanDerWaalsContact N-O 3.08Å; T28-N43 PolarHBondContact OG1-N 3.37Å; N43-H96 WeakPolarHBondContact CA-ND1 3.3Å
44	C	98.3	Very high	95.3	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	124.7	160.6	176.5	0	0	0	0	109.5	T26 W57 S94 F95 H96 C112	T26-C44 CarbonylContact O-C 3.58Å; T26-C44 WeakPolarHBondContact O-CA 3.29Å; C44-W57 HydrophobicContact CB-CH2 4.1Å; C44-W57 HydrophobicContact CB-CZ2 3.42Å; C44-W57 VanDerWaalsContact CB-CZ2 3.42Å; C44-S94 WeakPolarHBondContact O-CA 3.43Å; C44-S94 WeakPolarHBondContact O-CB 3.49Å; C44-F95 PolarHBondContact O-N 3.31Å; C44-H96 PolarHBondContact N-ND1 3.39Å; C44-C112 HydrophobicContact CB-CB 3.5Å; C44-C112 WeakPolarHBondContact CB-SG 3.41Å; C44-C112 WeakPolarHBondContact SG-CB 3.35Å; C44-C112 CovalentContact SG-SG 2.01Å; C44-C112 PolarHBondContact SG-SG 2.83Å
45	T	98	Very high	95.5	Very high	55 Å²	55	65.8 Å²	65.8	34%	0.337	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	155.5	169.4	56.9	0	0	0	0	109.3	V25 T26 S93	V25-T45 CarbonylContact C-O 3.44Å; V25-T45 VanDerWaalsContact CA-O 3.3Å; V25-T45 WeakPolarHBondContact CA-O 3.34Å; T26-T45 PolarHBondContact N-O 2.64Å; T26-T45 PolarHBondContact O-N 2.72Å; T26-T45 PolarHBondContact O-OG1 3.3Å; T45-S93 CarbonylContact C-O 3.51Å; T45-S93 WeakPolarHBondContact CA-O 3.17Å
46	Y	96.1	Very high	95.7	Very high	13 Å²	13	64.2 Å²	64.2	5%	0.051	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	159.9	-179	65.6	-92.2	0	0	0	112.5	S24 T48 P53 L55 L88 S93 L114	S24-Y46 CarbonylContact O-C 3.5Å; S24-Y46 WeakPolarHBondContact O-CA 3.06Å; S24-Y46 WeakPolarHBondContact O-CB 3.38Å; Y46-T48 HydrophobicContact CD2-CG2 3.66Å; Y46-T48 HydrophobicContact CE2-CG2 3.62Å; Y46-P53 HydrophobicContact CE2-CB 4.17Å; Y46-P53 HydrophobicContact CE2-CG 3.63Å; Y46-P53 WeakPolarHBondContact OH-CG 3.5Å; Y46-L55 HydrophobicContact CD1-CD1 3.64Å; Y46-L55 HydrophobicContact CD1-CD2 4.09Å; Y46-L55 HydrophobicContact CD1-CG 3.94Å; Y46-L55 HydrophobicContact CE1-CD1 4.2Å; Y46-L55 HydrophobicContact CE1-CD2 3.8Å; Y46-L55 HydrophobicContact CE1-CG 4Å; Y46-L55 HydrophobicContact CG-CD1 3.99Å; Y46-L88 HydrophobicContact CE1-CD1 3.87Å; Y46-S93 WeakPolarHBondContact CD1-O 3.13Å; Y46-S93 VanDerWaalsContact CE1-CA 3.44Å; Y46-S93 WeakPolarHBondContact CE1-O 3.16Å; Y46-S93 PolarHBondContact N-O 2.87Å; Y46-S93 WeakPolarHBondContact O-CB 3.5Å; Y46-L114 HydrophobicContact CD2-CD1 4.37Å; Y46-L114 HydrophobicContact CD2-CD2 4.35Å
47	Q	96.1	Very high	95.8	Very high	120 Å²	120	59.3 Å²	59.3	56%	0.561	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.4	130.2	170.2	-62.3	-178.5	-11.5	0	0	107.5	D23 S24	D23-Q47 VanDerWaalsContact CA-O 3.31Å; D23-Q47 WeakPolarHBondContact CA-O 3.25Å; S24-Q47 PolarHBondContact N-O 2.89Å; S24-Q47 PolarHBondContact O-N 3.24Å
48	T	93	Very high	95.9	Very high	38 Å²	38	61 Å²	61	23%	0.233	31%	0.313	C	S	.	.			trans	-161.8	153.7	179.7	-175.3	0	0	0	0	110.1	D23 Y46 Y50 P53 L114	D23-T48 VanDerWaalsContact OD1-CA 3.23Å; D23-T48 WeakPolarHBondContact OD1-CA 3.43Å; D23-T48 WeakPolarHBondContact OD1-CB 3.41Å; D23-T48 PolarHBondContact OD1-OG1 2.91Å; Y46-T48 HydrophobicContact CD2-CG2 3.66Å; Y46-T48 HydrophobicContact CE2-CG2 3.62Å; T48-Y50 VanDerWaalsContact OG1-CD2 3.26Å; T48-Y50 WeakPolarHBondContact OG1-CD2 3.45Å; T48-Y50 PolarHBondContact OG1-N 2.87Å; T48-Y50 VanDerWaalsContact OG1-N 3.1Å; T48-P53 HydrophobicContact CG2-CB 4.09Å; T48-P53 HydrophobicContact CG2-CG 4.27Å; T48-L114 HydrophobicContact CG2-CD2 4.42Å
49	I	91.8	Very high	95.9	Very high	142 Å²	142	57.5 Å²	57.5	73%	0.728	30%	0.295	S	S	*	.	S	Bend	trans	-86.7	-11.2	170.1	63.8	170	0	0	0	112.4
50	Y	89.2	Confident	95.9	Very high	135 Å²	135	55.4 Å²	55.4	53%	0.529	28%	0.278	S	S	.	.			trans	-78.9	134.5	-176.4	-62.5	-61.7	0	0	0	111.9	D23 T48 N52	D23-Y50 WeakPolarHBondContact OD2-CD2 3.23Å; D23-Y50 VanDerWaalsContact OD2-CE2 3.23Å; D23-Y50 WeakPolarHBondContact OD2-CE2 3.42Å; T48-Y50 VanDerWaalsContact OG1-CD2 3.26Å; T48-Y50 WeakPolarHBondContact OG1-CD2 3.45Å; T48-Y50 PolarHBondContact OG1-N 2.87Å; T48-Y50 VanDerWaalsContact OG1-N 3.1Å; Y50-N52 VanDerWaalsContact C-N 3.3Å; Y50-N52 PolarHBondContact O-N 3.02Å
51	S	89.8	Confident	95.8	Very high	96 Å²	96	57.4 Å²	57.4	67%	0.671	29%	0.287	S	S	*	.	S	Bend	trans	-75.3	-18.9	178.5	57.5	0	0	0	0	113.8	P53 K90	S51-P53 VanDerWaalsContact C-CD 3.43Å; S51-K90 PolarHBondContact O-NZ 2.82Å; S51-K90 VanDerWaalsContact O-NZ 3.15Å
52	N	90.9	Very high	95.6	Very high	105 Å²	105	58.8 Å²	58.8	56%	0.561	30%	0.295	S	S	*	.	S	Bend	trans	-129.7	63.2	-177.3	-66.1	-49.7	0	0	0	112	Y50 K90	Y50-N52 VanDerWaalsContact C-N 3.3Å; Y50-N52 PolarHBondContact O-N 3.02Å; N52-K90 PolarHBondContact OD1-NZ 2.85Å
53	P	94.2	Very high	95.4	Very high	3 Å²	3	66.3 Å²	66.3	2%	0.019	34%	0.336	C	S	.	.			trans	-69.1	144.6	178.7	30.4	-34.7	0	0	0	111.2	Y46 T48 S51 L55 L114	Y46-P53 HydrophobicContact CE2-CB 4.17Å; Y46-P53 HydrophobicContact CE2-CG 3.63Å; Y46-P53 WeakPolarHBondContact OH-CG 3.5Å; T48-P53 HydrophobicContact CG2-CB 4.09Å; T48-P53 HydrophobicContact CG2-CG 4.27Å; S51-P53 VanDerWaalsContact C-CD 3.43Å; P53-L55 HydrophobicContact CB-CD2 3.77Å; P53-L55 HydrophobicContact CG-CD2 3.95Å; P53-L114 HydrophobicContact CB-CD1 3.31Å
54	F	96.4	Very high	95.3	Very high	88 Å²	88	66.3 Å²	66.3	39%	0.386	33%	0.334	S	S	.	.			trans	-98	125.8	167.6	-80.5	-108.2	0	0	0	109.1	F56 F73 L114 S115	F54-F56 HydrophobicContact CB-CE2 3.72Å; F54-F56 HydrophobicContact CB-CZ 3.77Å; F54-F56 HydrophobicContact CD1-CZ 4.48Å; F54-F56 WeakPolarHBondContact O-CE2 3.11Å; F54-F73 HydrophobicContact CD1-CB 3.6Å; F54-F73 HydrophobicContact CD1-CG 4.4Å; F54-F73 HydrophobicContact CD2-CB 3.96Å; F54-F73 HydrophobicContact CE1-CB 3.41Å; F54-F73 VanDerWaalsContact CE1-CB 3.41Å; F54-F73 AromaticContact CE1-CD1 3.77Å; F54-F73 HydrophobicContact CE1-CD1 3.77Å; F54-F73 AromaticContact CE1-CG 3.75Å; F54-F73 HydrophobicContact CE1-CG 3.75Å; F54-F73 HydrophobicContact CE2-CB 3.77Å; F54-F73 HydrophobicContact CE2-CG 4.4Å; F54-F73 HydrophobicContact CG-CB 3.86Å; F54-F73 HydrophobicContact CZ-CB 3.49Å; F54-F73 VanDerWaalsContact CZ-CB 3.49Å; F54-F73 HydrophobicContact CZ-CD1 4.12Å; F54-F73 HydrophobicContact CZ-CD2 4.35Å; F54-F73 AromaticContact CZ-CG 3.74Å; F54-F73 HydrophobicContact CZ-CG 3.74Å; F54-L114 CarbonylContact O-C 3.5Å; F54-L114 WeakPolarHBondContact O-CA 3.23Å; F54-S115 WeakPolarHBondContact CB-OG 3.46Å; F54-S115 PolarHBondContact N-O 2.94Å; F54-S115 PolarHBondContact O-N 2.81Å
55	L	98.1	Very high	95.2	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	144.1	179.3	-74	-60.4	0	0	0	109.9	Y46 P53 K71 S72 L88 F95 A113 L114	Y46-L55 HydrophobicContact CD1-CD1 3.64Å; Y46-L55 HydrophobicContact CD1-CD2 4.09Å; Y46-L55 HydrophobicContact CD1-CG 3.94Å; Y46-L55 HydrophobicContact CE1-CD1 4.2Å; Y46-L55 HydrophobicContact CE1-CD2 3.8Å; Y46-L55 HydrophobicContact CE1-CG 4Å; Y46-L55 HydrophobicContact CG-CD1 3.99Å; P53-L55 HydrophobicContact CB-CD2 3.77Å; P53-L55 HydrophobicContact CG-CD2 3.95Å; L55-K71 CarbonylContact O-C 3.58Å; L55-K71 WeakPolarHBondContact O-CA 3.48Å; L55-S72 PolarHBondContact N-O 3.02Å; L55-S72 PolarHBondContact O-N 3.43Å; L55-L88 HydrophobicContact CB-CD1 4.42Å; L55-L88 HydrophobicContact CD2-CD1 3.6Å; L55-L88 HydrophobicContact CD2-CD2 4.31Å; L55-L88 HydrophobicContact CG-CD1 3.88Å; L55-F95 HydrophobicContact CB-CB 3.98Å; L55-F95 HydrophobicContact CB-CD1 3.49Å; L55-F95 VanDerWaalsContact CB-CD1 3.49Å; L55-F95 HydrophobicContact CB-CE1 4.03Å; L55-F95 HydrophobicContact CB-CG 3.76Å; L55-F95 HydrophobicContact CG-CB 4.06Å; L55-F95 HydrophobicContact CG-CD1 4.47Å; L55-F95 HydrophobicContact CG-CG 4.39Å; L55-A113 WeakPolarHBondContact CA-O 3.33Å; L55-A113 WeakPolarHBondContact CD1-O 3.44Å; L55-L114 HydrophobicContact CD1-CB 3.98Å; L55-L114 HydrophobicContact CD1-CD1 3.94Å; L55-L114 HydrophobicContact CD2-CD1 4.1Å
56	F	98.4	Very high	95.2	Very high	33 Å²	33	70.7 Å²	70.7	15%	0.145	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	146.8	-176.8	-50.7	-96.8	0	0	0	110.4	F54 Y58 L68 L70 K71 C112 A113 S115	F54-F56 HydrophobicContact CB-CE2 3.72Å; F54-F56 HydrophobicContact CB-CZ 3.77Å; F54-F56 HydrophobicContact CD1-CZ 4.48Å; F54-F56 WeakPolarHBondContact O-CE2 3.11Å; F56-Y58 HydrophobicContact CB-CD2 4.09Å; F56-Y58 HydrophobicContact CB-CE2 3.57Å; F56-Y58 HydrophobicContact CG-CE2 4.15Å; F56-L68 HydrophobicContact CB-CD1 4.23Å; F56-L68 HydrophobicContact CD1-CD1 3.82Å; F56-L70 CarbonylContact C-O 3.56Å; F56-L70 WeakPolarHBondContact CA-O 3.41Å; F56-K71 HydrophobicContact CD1-CB 3.61Å; F56-K71 HydrophobicContact CD1-CD 4.47Å; F56-K71 HydrophobicContact CE1-CB 3.96Å; F56-K71 HydrophobicContact CE1-CD 4.2Å; F56-K71 HydrophobicContact CG-CB 4.42Å; F56-C112 CarbonylContact O-C 3.51Å; F56-C112 WeakPolarHBondContact O-CA 3.42Å; F56-A113 HydrophobicContact CB-CB 4.35Å; F56-A113 HydrophobicContact CD2-CB 4.5Å; F56-A113 PolarHBondContact N-O 2.6Å; F56-A113 PolarHBondContact O-N 3.1Å; F56-S115 WeakPolarHBondContact CE2-OG 3.42Å
57	W	98.6	Very high	95.3	Very high	0 Å²	0	76.8 Å²	76.8	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	130.8	157.1	-81.9	100.6	0	0	0	108.9	Q27 L42 C44 L69 L70 F95 L97 Y111 C112	Q27-W57 HydrophobicContact CB-CH2 4.48Å; L42-W57 HydrophobicContact CB-CH2 3.85Å; L42-W57 HydrophobicContact CB-CZ2 4.36Å; L42-W57 HydrophobicContact CB-CZ3 4.49Å; L42-W57 HydrophobicContact CD1-CZ3 4.45Å; C44-W57 HydrophobicContact CB-CH2 4.1Å; C44-W57 HydrophobicContact CB-CZ2 3.42Å; C44-W57 VanDerWaalsContact CB-CZ2 3.42Å; W57-L69 HydrophobicContact CB-CB 4.37Å; W57-L69 WeakPolarHBondContact O-CA 3.14Å; W57-L69 WeakPolarHBondContact O-CB 3.03Å; W57-L69 PolarHBondContact O-N 3.08Å; W57-L70 HydrophobicContact CB-CB 4.32Å; W57-L70 PolarHBondContact N-O 2.89Å; W57-L70 PolarHBondContact O-N 2.97Å; W57-F95 AromaticContact CD1-CD1 3.49Å; W57-F95 VanDerWaalsContact CD1-CD1 3.49Å; W57-F95 AromaticContact CD1-CE1 3.51Å; W57-F95 AromaticContact NE1-CD1 3.68Å; W57-F95 PolarHBondContact NE1-O 2.96Å; W57-L97 HydrophobicContact CB-CD1 4.31Å; W57-L97 HydrophobicContact CD2-CB 3.89Å; W57-L97 HydrophobicContact CD2-CD1 4.39Å; W57-L97 HydrophobicContact CD2-CD2 4.05Å; W57-L97 HydrophobicContact CD2-CG 4.34Å; W57-L97 HydrophobicContact CE3-CB 4.46Å; W57-L97 HydrophobicContact CE3-CD2 4.09Å; W57-L97 HydrophobicContact CG-CB 4.25Å; W57-L97 HydrophobicContact CG-CD1 3.95Å; W57-L97 HydrophobicContact CG-CD2 4.32Å; W57-L97 HydrophobicContact CG-CG 4.41Å; W57-L97 HydrophobicContact CH2-CB 4.32Å; W57-L97 HydrophobicContact CZ2-CB 3.72Å; W57-Y111 CarbonylContact C-O 3.5Å; W57-Y111 WeakPolarHBondContact CA-O 3.26Å; W57-Y111 VanDerWaalsContact CE3-C 3.48Å; W57-C112 HydrophobicContact CD2-CB 4.24Å; W57-C112 HydrophobicContact CE3-CB 4.18Å; W57-C112 HydrophobicContact CH2-CB 3.88Å; W57-C112 HydrophobicContact CZ2-CB 3.93Å; W57-C112 HydrophobicContact CZ3-CB 4Å
58	Y	98.2	Very high	95.4	Very high	80 Å²	80	74.6 Å²	74.6	31%	0.314	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	148.5	168.5	-68.6	-96.9	0	0	0	109.7	F56 P66 R67 L68 Y110 Y111 A113	F56-Y58 HydrophobicContact CB-CD2 4.09Å; F56-Y58 HydrophobicContact CB-CE2 3.57Å; F56-Y58 HydrophobicContact CG-CE2 4.15Å; Y58-P66 HydrophobicContact CD1-CB 4.31Å; Y58-R67 CarbonylContact C-O 3.58Å; Y58-R67 WeakPolarHBondContact CA-O 3.3Å; Y58-L68 HydrophobicContact CE1-CB 4.25Å; Y58-L68 HydrophobicContact CE1-CD1 4.35Å; Y58-Y110 CarbonylContact O-C 3.57Å; Y58-Y110 VanDerWaalsContact O-CA 3.26Å; Y58-Y110 WeakPolarHBondContact O-CA 3.49Å; Y58-Y111 PolarHBondContact N-O 2.92Å; Y58-Y111 PolarHBondContact O-N 3.46Å; Y58-A113 HydrophobicContact CD2-CB 4.47Å; Y58-A113 HydrophobicContact CE2-CB 4.24Å
59	V	97.8	Very high	95.6	Very high	10 Å²	10	73.2 Å²	73.2	6%	0.061	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	136.2	170.5	62.4	0	0	0	0	109	R67 L69 A108 L109 Y110	V59-R67 PolarHBondContact N-O 3.41Å; V59-R67 PolarHBondContact O-N 2.82Å; V59-L69 HydrophobicContact CB-CB 4.36Å; V59-L69 HydrophobicContact CB-CD2 4.35Å; V59-L69 HydrophobicContact CG1-CB 4.11Å; V59-L69 HydrophobicContact CG1-CD1 4.46Å; V59-A108 HydrophobicContact CG2-CB 3.46Å; V59-A108 VanDerWaalsContact CG2-CB 3.46Å; V59-L109 CarbonylContact C-O 3.5Å; V59-L109 WeakPolarHBondContact CA-O 3.46Å; V59-Y110 HydrophobicContact CB-CD1 4.15Å; V59-Y110 HydrophobicContact CB-CE1 4Å; V59-Y110 HydrophobicContact CG2-CD1 4.13Å; V59-Y110 HydrophobicContact CG2-CE1 3.68Å; V59-Y110 HydrophobicContact CG2-CE2 4.46Å
60	Q	97.4	Very high	95.9	Very high	40 Å²	40	66.8 Å²	66.8	19%	0.187	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	108.1	178.3	-174.8	-179.2	18.3	0	0	109.4	E64 P66 A108 L109 Y111	Q60-E64 VanDerWaalsContact CG-O 3.26Å; Q60-E64 WeakPolarHBondContact CG-O 3.37Å; Q60-E64 PolarHBondContact NE2-O 3.34Å; Q60-P66 HydrophobicContact CB-CB 4.36Å; Q60-P66 HydrophobicContact CB-CG 4.24Å; Q60-P66 HydrophobicContact CG-CG 4.19Å; Q60-A108 WeakPolarHBondContact O-CB 3.15Å; Q60-L109 HydrophobicContact CB-CB 4.31Å; Q60-L109 HydrophobicContact CB-CD1 4.29Å; Q60-L109 HydrophobicContact CG-CD1 4.27Å; Q60-L109 PolarHBondContact N-O 3.15Å; Q60-L109 PolarHBondContact O-N 2.78Å; Q60-Y111 HydrophobicContact CB-CE2 3.81Å; Q60-Y111 VanDerWaalsContact OE1-CE2 3.3Å; Q60-Y111 PolarHBondContact OE1-OH 3.08Å
61	H	95.9	Very high	96.4	Very high	53 Å²	53	66.3 Å²	66.3	25%	0.245	34%	0.338	C	S	.	.			trans	-75.3	162.5	170.3	-62.6	-52.8	0	0	0	111	N63 E64 A108	H61-N63 PolarHBondContact O-N 3.07Å; H61-E64 HydrophobicContact CB-CB 4.42Å; H61-E64 HydrophobicContact CB-CG 4.29Å; H61-E64 PolarHBondContact O-N 3.21Å; H61-A108 WeakPolarHBondContact ND1-CB 3.37Å
62	L	92.7	Very high	96.8	Very high	147 Å²	147	62 Å²	62	77%	0.77	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	131	-178.7	-174.8	66.9	0	0	0	110.8	E64	L62-E64 PolarHBondContact O-N 2.86Å; L62-E64 VanDerWaalsContact O-N 3.14Å
63	N	94.6	Very high	97	Very high	161 Å²	161	62 Å²	62	86%	0.861	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	14.8	-179.5	-54.9	-34.5	0	0	0	115.3	H61	H61-N63 PolarHBondContact O-N 3.07Å
64	E	95.9	Very high	97.2	Very high	74 Å²	74	64.4 Å²	64.4	35%	0.346	32%	0.318	S	S	.	.	S	Bend	trans	-108	163.1	174.1	-62.2	-170.2	-162.5	0	0	111.5	Q60 H61 L62 R67	Q60-E64 VanDerWaalsContact CG-O 3.26Å; Q60-E64 WeakPolarHBondContact CG-O 3.37Å; Q60-E64 PolarHBondContact NE2-O 3.34Å; H61-E64 HydrophobicContact CB-CB 4.42Å; H61-E64 HydrophobicContact CB-CG 4.29Å; H61-E64 PolarHBondContact O-N 3.21Å; L62-E64 PolarHBondContact O-N 2.86Å; L62-E64 VanDerWaalsContact O-N 3.14Å; E64-R67 IonicContact OE2-CZ 3.49Å; E64-R67 IonicContact OE2-NE 2.77Å; E64-R67 IonicContact OE2-NH1 3.08Å; E64-R67 IonicContact OE2-NH2 3.5Å; E64-R67 PolarHBondContact OE2-NH2 3.39Å
65	S	96.4	Very high	97.2	Very high	82 Å²	82	63 Å²	63	57%	0.573	31%	0.314	S	S	*	.			trans	-77.3	151.4	168.4	54.2	0	0	0	0	111.1	R67	S65-R67 PolarHBondContact O-N 3.29Å
66	P	97.2	Very high	97.2	Very high	65 Å²	65	67.8 Å²	67.8	42%	0.422	34%	0.34	S	S	.	.			trans	-57.4	134.1	172.9	-23.4	33.3	0	0	0	111.8	Y58 Q60	Y58-P66 HydrophobicContact CD1-CB 4.31Å; Q60-P66 HydrophobicContact CB-CB 4.36Å; Q60-P66 HydrophobicContact CB-CG 4.24Å; Q60-P66 HydrophobicContact CG-CG 4.19Å
67	R	97.9	Very high	97.1	Very high	141 Å²	141	71 Å²	71	53%	0.532	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	146.4	176.4	-61.6	-177.5	-174.6	167	7.9	110	Y58 V59 E64 S65 L69	Y58-R67 CarbonylContact C-O 3.58Å; Y58-R67 WeakPolarHBondContact CA-O 3.3Å; V59-R67 PolarHBondContact N-O 3.41Å; V59-R67 PolarHBondContact O-N 2.82Å; E64-R67 IonicContact OE2-CZ 3.49Å; E64-R67 IonicContact OE2-NE 2.77Å; E64-R67 IonicContact OE2-NH1 3.08Å; E64-R67 IonicContact OE2-NH2 3.5Å; E64-R67 PolarHBondContact OE2-NH2 3.39Å; S65-R67 PolarHBondContact O-N 3.29Å; R67-L69 PolarHBondContact O-N 2.77Å
68	L	98.1	Very high	97.1	Very high	74 Å²	74	77.7 Å²	77.7	39%	0.387	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	125.1	176.4	-179.2	67.2	0	0	0	109.9	F56 Y58 L70 K71	F56-L68 HydrophobicContact CB-CD1 4.23Å; F56-L68 HydrophobicContact CD1-CD1 3.82Å; Y58-L68 HydrophobicContact CE1-CB 4.25Å; Y58-L68 HydrophobicContact CE1-CD1 4.35Å; L68-L70 WeakPolarHBondContact CD1-O 3.43Å; L68-K71 HydrophobicContact CD1-CB 4.31Å; L68-K71 HydrophobicContact CD2-CD 3.9Å; L68-K71 HydrophobicContact CD2-CG 4.28Å
69	L	98.6	Very high	97.1	Very high	8 Å²	8	74.8 Å²	74.8	4%	0.042	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	-56.9	175.2	179.8	61.3	0	0	0	110.6	W57 V59 R67 H81 F84 L97 Y110	W57-L69 HydrophobicContact CB-CB 4.37Å; W57-L69 WeakPolarHBondContact O-CA 3.14Å; W57-L69 WeakPolarHBondContact O-CB 3.03Å; W57-L69 PolarHBondContact O-N 3.08Å; V59-L69 HydrophobicContact CB-CB 4.36Å; V59-L69 HydrophobicContact CB-CD2 4.35Å; V59-L69 HydrophobicContact CG1-CB 4.11Å; V59-L69 HydrophobicContact CG1-CD1 4.46Å; R67-L69 PolarHBondContact O-N 2.77Å; L69-H81 HydrophobicContact CD1-CB 4.45Å; L69-H81 WeakPolarHBondContact O-CB 3.12Å; L69-F84 HydrophobicContact CD1-CD2 4.31Å; L69-F84 HydrophobicContact CD2-CB 4.23Å; L69-F84 HydrophobicContact CD2-CD2 4.18Å; L69-F84 HydrophobicContact CD2-CG 4.11Å; L69-L97 HydrophobicContact CD2-CD1 4.09Å; L69-L97 HydrophobicContact CD2-CD2 3.9Å; L69-Y110 HydrophobicContact CD2-CD1 3.89Å; L69-Y110 HydrophobicContact CD2-CE1 3.67Å
70	L	98.6	Very high	97.1	Very high	8 Å²	8	79.7 Å²	79.7	4%	0.042	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	155.1	179	-64.4	177	0	0	0	111	F56 W57 L68 H81 A86 F95 L97	F56-L70 CarbonylContact C-O 3.56Å; F56-L70 WeakPolarHBondContact CA-O 3.41Å; W57-L70 HydrophobicContact CB-CB 4.32Å; W57-L70 PolarHBondContact N-O 2.89Å; W57-L70 PolarHBondContact O-N 2.97Å; L68-L70 WeakPolarHBondContact CD1-O 3.43Å; L70-H81 HydrophobicContact CD2-CB 3.69Å; L70-A86 HydrophobicContact CD1-CB 3.62Å; L70-F95 HydrophobicContact CB-CE1 4.48Å; L70-F95 HydrophobicContact CB-CZ 4.27Å; L70-L97 HydrophobicContact CD1-CD1 3.51Å; L70-L97 HydrophobicContact CG-CD1 4.4Å
71	K	98.2	Very high	97.2	Very high	125 Å²	125	82 Å²	82	54%	0.543	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	146.9	168.3	60.4	176.8	175.9	-175.5	0	111.7	L55 F56 L68 T79	L55-K71 CarbonylContact O-C 3.58Å; L55-K71 WeakPolarHBondContact O-CA 3.48Å; F56-K71 HydrophobicContact CD1-CB 3.61Å; F56-K71 HydrophobicContact CD1-CD 4.47Å; F56-K71 HydrophobicContact CE1-CB 3.96Å; F56-K71 HydrophobicContact CE1-CD 4.2Å; F56-K71 HydrophobicContact CG-CB 4.42Å; L68-K71 HydrophobicContact CD1-CB 4.31Å; L68-K71 HydrophobicContact CD2-CD 3.9Å; L68-K71 HydrophobicContact CD2-CG 4.28Å; K71-T79 WeakPolarHBondContact O-CG2 3.01Å
72	S	98.2	Very high	97.2	Very high	4 Å²	4	85 Å²	85	3%	0.028	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	148	170.9	-167.1	0	0	0	0	112	L55 T74	L55-S72 PolarHBondContact N-O 3.02Å; L55-S72 PolarHBondContact O-N 3.43Å; S72-T74 PolarHBondContact OG-N 2.84Å; S72-T74 PolarHBondContact OG-O 2.96Å
73	F	96.1	Very high	97.4	Very high	106 Å²	106	79.6 Å²	79.6	47%	0.465	40%	0.397	S	S	.	.			trans	-123.5	-13.4	168.6	73	-87.5	0	0	0	112	F54	F54-F73 HydrophobicContact CD1-CB 3.6Å; F54-F73 HydrophobicContact CD1-CG 4.4Å; F54-F73 HydrophobicContact CD2-CB 3.96Å; F54-F73 HydrophobicContact CE1-CB 3.41Å; F54-F73 VanDerWaalsContact CE1-CB 3.41Å; F54-F73 AromaticContact CE1-CD1 3.77Å; F54-F73 HydrophobicContact CE1-CD1 3.77Å; F54-F73 AromaticContact CE1-CG 3.75Å; F54-F73 HydrophobicContact CE1-CG 3.75Å; F54-F73 HydrophobicContact CE2-CB 3.77Å; F54-F73 HydrophobicContact CE2-CG 4.4Å; F54-F73 HydrophobicContact CG-CB 3.86Å; F54-F73 HydrophobicContact CZ-CB 3.49Å; F54-F73 VanDerWaalsContact CZ-CB 3.49Å; F54-F73 HydrophobicContact CZ-CD1 4.12Å; F54-F73 HydrophobicContact CZ-CD2 4.35Å; F54-F73 AromaticContact CZ-CG 3.74Å; F54-F73 HydrophobicContact CZ-CG 3.74Å
74	T	97.4	Very high	97.6	Very high	53 Å²	53	72 Å²	72	33%	0.325	36%	0.356	S	S	.	.	S	Bend	trans	-93	125.2	-175.9	-47.4	0	0	0	0	108.5	S72 K77	S72-T74 PolarHBondContact OG-N 2.84Å; S72-T74 PolarHBondContact OG-O 2.96Å; T74-K77 HydrophobicContact CG2-CB 4.1Å; T74-K77 HydrophobicContact CG2-CD 4.4Å; T74-K77 WeakPolarHBondContact O-CB 3.04Å; T74-K77 PolarHBondContact O-N 2.94Å
75	D	97.8	Very high	97.8	Very high	59 Å²	59	69.7 Å²	69.7	32%	0.316	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	143.7	177	-168.3	36.5	0	0	0	111.2	K77 H89 K90	D75-K77 PolarHBondContact O-N 3.13Å; D75-H89 WeakPolarHBondContact OD1-CA 3.07Å; D75-K90 HydrophobicContact CB-CB 4.46Å; D75-K90 HydrophobicContact CB-CD 3.92Å; D75-K90 HydrophobicContact CB-CG 3.94Å; D75-K90 PolarHBondContact OD1-N 2.01Å
76	N	97.8	Very high	97.9	Very high	101 Å²	101	65.8 Å²	65.8	54%	0.54	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	17.7	-177.2	-54	-60.1	0	0	0	115	L88 H89	N76-L88 WeakPolarHBondContact CA-O 2.85Å; N76-L88 PolarHBondContact N-O 2.87Å; N76-H89 PolarHBondContact OD1-ND1 3.25Å; N76-H89 VanDerWaalsContact OD1-ND1 3.08Å
77	K	96.7	Very high	98	Very high	100 Å²	100	64 Å²	64	44%	0.435	31%	0.306	S	S	.	.			trans	-88.1	114.3	173.8	-176.2	178.4	180	178.3	0	110.1	T74 D75 T79	T74-K77 HydrophobicContact CG2-CB 4.1Å; T74-K77 HydrophobicContact CG2-CD 4.4Å; T74-K77 WeakPolarHBondContact O-CB 3.04Å; T74-K77 PolarHBondContact O-N 2.94Å; D75-K77 PolarHBondContact O-N 3.13Å; K77-T79 HydrophobicContact CG-CG2 4.33Å
78	R	97.9	Very high	98	Very high	140 Å²	140	57.2 Å²	57.2	53%	0.528	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	131.3	166	-177.8	175.6	167	175.2	-4.8	109.7	E80 H85	R78-E80 IonicContact CZ-OE2 3.64Å; R78-E80 IonicContact NE-OE2 3.53Å; R78-E80 IonicContact NH2-OE2 2.75Å; R78-E80 PolarHBondContact NH2-OE2 3.27Å; R78-H85 HydrophobicContact CG-CB 4.31Å
79	T	98.2	Very high	98	Very high	19 Å²	19	56.6 Å²	56.6	12%	0.117	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	145.3	173.5	59.9	0	0	0	0	108.9	K71 K77 H85 A86	K71-T79 WeakPolarHBondContact O-CG2 3.01Å; K77-T79 HydrophobicContact CG-CG2 4.33Å; T79-H85 CarbonylContact O-C 3.52Å; T79-H85 WeakPolarHBondContact O-CA 3.18Å; T79-H85 VanDerWaalsContact O-CB 3.28Å; T79-H85 WeakPolarHBondContact O-CB 3.32Å; T79-A86 PolarHBondContact N-O 2.73Å; T79-A86 PolarHBondContact O-N 2.91Å; T79-A86 PolarHBondContact OG1-O 2.86Å
80	E	98.4	Very high	97.9	Very high	114 Å²	114	58.7 Å²	58.7	53%	0.533	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	136.2	-173.8	-176.7	164.2	169.3	0	0	111.7	R78 F84 H85	R78-E80 IonicContact CZ-OE2 3.64Å; R78-E80 IonicContact NE-OE2 3.53Å; R78-E80 IonicContact NH2-OE2 2.75Å; R78-E80 PolarHBondContact NH2-OE2 3.27Å; E80-F84 CarbonylContact C-O 3.51Å; E80-F84 WeakPolarHBondContact CA-O 3.2Å; E80-F84 WeakPolarHBondContact CG-O 3.13Å; E80-H85 HydrophobicContact CB-CB 4.13Å; E80-H85 HydrophobicContact CG-CB 4.26Å
81	H	98.4	Very high	97.7	Very high	87 Å²	87	63.8 Å²	63.8	40%	0.403	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	135.4	177.1	-169.3	53.9	0	0	0	109.7	L69 L70 G83 F84	L69-H81 HydrophobicContact CD1-CB 4.45Å; L69-H81 WeakPolarHBondContact O-CB 3.12Å; L70-H81 HydrophobicContact CD2-CB 3.69Å; H81-G83 PolarHBondContact O-N 2.94Å; H81-G83 VanDerWaalsContact O-N 3.13Å; H81-F84 PolarHBondContact N-O 3.32Å; H81-F84 WeakPolarHBondContact O-CB 3.4Å; H81-F84 PolarHBondContact O-N 2.85Å
82	Q	96.3	Very high	97.7	Very high	116 Å²	116	61 Å²	61	54%	0.542	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	32.5	179.6	-59	177.8	28.6	0	0	114.2	F84	Q82-F84 PolarHBondContact O-N 3.09Å
83	G	97.7	Very high	97.6	Very high	34 Å²	34	62.8 Å²	62.8	35%	0.351	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	77	-7.9	-176.9	0	0	0	0	0	114.8	H81 K99	H81-G83 PolarHBondContact O-N 2.94Å; H81-G83 VanDerWaalsContact O-N 3.13Å; G83-K99 WeakPolarHBondContact O-CG 3.38Å
84	F	98.6	Very high	97.7	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.009	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	141.5	168.2	-71.5	-83.7	0	0	0	110.5	V40 L69 E80 H81 Q82 L97 Q98 K99 D106 Y110	V40-F84 HydrophobicContact CB-CE1 4.34Å; V40-F84 HydrophobicContact CG1-CE1 4.17Å; V40-F84 HydrophobicContact CG2-CE1 4.41Å; L69-F84 HydrophobicContact CD1-CD2 4.31Å; L69-F84 HydrophobicContact CD2-CB 4.23Å; L69-F84 HydrophobicContact CD2-CD2 4.18Å; L69-F84 HydrophobicContact CD2-CG 4.11Å; E80-F84 CarbonylContact C-O 3.51Å; E80-F84 WeakPolarHBondContact CA-O 3.2Å; E80-F84 WeakPolarHBondContact CG-O 3.13Å; H81-F84 PolarHBondContact N-O 3.32Å; H81-F84 WeakPolarHBondContact O-CB 3.4Å; H81-F84 PolarHBondContact O-N 2.85Å; Q82-F84 PolarHBondContact O-N 3.09Å; F84-L97 HydrophobicContact CB-CD1 3.92Å; F84-L97 HydrophobicContact CB-CG 4.48Å; F84-L97 HydrophobicContact CD1-CD1 4.14Å; F84-L97 HydrophobicContact CD1-CD2 3.86Å; F84-L97 HydrophobicContact CD1-CG 3.77Å; F84-L97 HydrophobicContact CE1-CD2 4.21Å; F84-L97 HydrophobicContact CE1-CG 4.49Å; F84-L97 HydrophobicContact CG-CD1 4.36Å; F84-L97 HydrophobicContact CG-CG 4.46Å; F84-Q98 CarbonylContact C-O 3.48Å; F84-Q98 VanDerWaalsContact CA-O 3.25Å; F84-Q98 WeakPolarHBondContact CA-O 3.01Å; F84-K99 HydrophobicContact CD1-CB 3.66Å; F84-K99 HydrophobicContact CD1-CD 4.2Å; F84-K99 HydrophobicContact CD1-CG 4.48Å; F84-K99 HydrophobicContact CD2-CD 4.06Å; F84-K99 HydrophobicContact CE1-CB 3.73Å; F84-K99 HydrophobicContact CE1-CD 3.92Å; F84-K99 HydrophobicContact CE1-CG 4.47Å; F84-K99 HydrophobicContact CE2-CD 3.76Å; F84-K99 HydrophobicContact CG-CB 4.26Å; F84-K99 HydrophobicContact CG-CD 4.27Å; F84-K99 HydrophobicContact CZ-CB 4.37Å; F84-K99 HydrophobicContact CZ-CD 3.68Å; F84-D106 HydrophobicContact CE2-CB 4.48Å; F84-D106 VanDerWaalsContact CE2-OD1 3.3Å; F84-D106 WeakPolarHBondContact CE2-OD1 3.48Å; F84-D106 HydrophobicContact CZ-CB 4.01Å; F84-Y110 HydrophobicContact CE1-CE1 4.18Å; F84-Y110 HydrophobicContact CE2-CE1 4.23Å; F84-Y110 WeakPolarHBondContact CE2-OH 3.23Å; F84-Y110 AromaticContact CZ-CE1 3.93Å; F84-Y110 HydrophobicContact CZ-CE1 3.93Å; F84-Y110 AromaticContact CZ-CZ 3.73Å; F84-Y110 WeakPolarHBondContact CZ-OH 3.31Å
85	H	98.7	Very high	97.8	Very high	25 Å²	25	55.4 Å²	55.4	12%	0.116	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	155.1	170.9	63.6	-82.9	0	0	0	112	R78 T79 E80 Q98	R78-H85 HydrophobicContact CG-CB 4.31Å; T79-H85 CarbonylContact O-C 3.52Å; T79-H85 WeakPolarHBondContact O-CA 3.18Å; T79-H85 VanDerWaalsContact O-CB 3.28Å; T79-H85 WeakPolarHBondContact O-CB 3.32Å; E80-H85 HydrophobicContact CB-CB 4.13Å; E80-H85 HydrophobicContact CG-CB 4.26Å; H85-Q98 PolarHBondContact N-O 2.77Å; H85-Q98 PolarHBondContact ND1-O 3.48Å; H85-Q98 WeakPolarHBondContact NE2-CB 3.28Å; H85-Q98 PolarHBondContact O-N 3.38Å
86	A	98.8	Very high	97.8	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	141.7	173.5	0	0	0	0	0	109.6	L70 T79 F95 H96 L97	L70-A86 HydrophobicContact CD1-CB 3.62Å; T79-A86 PolarHBondContact N-O 2.73Å; T79-A86 PolarHBondContact O-N 2.91Å; T79-A86 PolarHBondContact OG1-O 2.86Å; A86-F95 HydrophobicContact CB-CD1 4.46Å; A86-F95 HydrophobicContact CB-CD2 3.82Å; A86-F95 HydrophobicContact CB-CE1 4.17Å; A86-F95 HydrophobicContact CB-CE2 3.46Å; A86-F95 VanDerWaalsContact CB-CE2 3.46Å; A86-F95 HydrophobicContact CB-CG 4.31Å; A86-F95 HydrophobicContact CB-CZ 3.66Å; A86-H96 WeakPolarHBondContact CA-O 3.18Å; A86-H96 WeakPolarHBondContact CB-O 3.4Å; A86-L97 HydrophobicContact CB-CD1 4.45Å
87	T	98.6	Very high	97.9	Very high	27 Å²	27	50.3 Å²	50.3	17%	0.166	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	127.3	175.3	-56.4	0	0	0	0	108.5
88	L	98.3	Very high	97.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.258	C	S	.	.			trans	-77.4	123.4	173.8	175	59.6	0	0	0	108.7	Y46 L55 N76 K90 F95	Y46-L88 HydrophobicContact CE1-CD1 3.87Å; L55-L88 HydrophobicContact CB-CD1 4.42Å; L55-L88 HydrophobicContact CD2-CD1 3.6Å; L55-L88 HydrophobicContact CD2-CD2 4.31Å; L55-L88 HydrophobicContact CG-CD1 3.88Å; N76-L88 WeakPolarHBondContact CA-O 2.85Å; N76-L88 PolarHBondContact N-O 2.87Å; L88-K90 HydrophobicContact CD2-CG 4.46Å; L88-K90 HydrophobicContact CG-CG 4.34Å; L88-F95 HydrophobicContact CB-CD2 3.91Å; L88-F95 HydrophobicContact CB-CE2 4.25Å; L88-F95 HydrophobicContact CD1-CB 4.46Å
89	H	97.9	Very high	98	Very high	61 Å²	61	42.7 Å²	42.7	28%	0.282	24%	0.235	S	C	.	.	B	Isolated β-bridge	trans	-117.3	105.1	171.7	-64.9	-67.2	0	0	0	108.8	D75 N76 S92 S93 S94	D75-H89 WeakPolarHBondContact OD1-CA 3.07Å; N76-H89 PolarHBondContact OD1-ND1 3.25Å; N76-H89 VanDerWaalsContact OD1-ND1 3.08Å; H89-S92 WeakPolarHBondContact CB-OG 3.19Å; H89-S93 WeakPolarHBondContact O-CA 3.43Å; H89-S93 PolarHBondContact O-N 2.86Å; H89-S93 VanDerWaalsContact O-N 3.09Å; H89-S94 PolarHBondContact N-O 2.78Å; H89-S94 PolarHBondContact O-N 3.06Å
90	K	96.4	Very high	98	Very high	52 Å²	52	46.5 Å²	46.5	23%	0.226	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-33	-179.2	-68.4	-171.2	-179.3	-175.6	0	112.8	S51 N52 D75 L88 S92 S93	S51-K90 PolarHBondContact O-NZ 2.82Å; S51-K90 VanDerWaalsContact O-NZ 3.15Å; N52-K90 PolarHBondContact OD1-NZ 2.85Å; D75-K90 HydrophobicContact CB-CB 4.46Å; D75-K90 HydrophobicContact CB-CD 3.92Å; D75-K90 HydrophobicContact CB-CG 3.94Å; D75-K90 PolarHBondContact OD1-N 2.01Å; L88-K90 HydrophobicContact CD2-CG 4.46Å; L88-K90 HydrophobicContact CG-CG 4.34Å; K90-S92 VanDerWaalsContact C-N 3.35Å; K90-S92 PolarHBondContact O-N 2.78Å; K90-S93 PolarHBondContact O-N 2.79Å
91	S	95.7	Very high	97.9	Very high	114 Å²	114	43.5 Å²	43.5	80%	0.797	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-35	179.9	56.3	0	0	0	0	113.3
92	S	97	Very high	97.9	Very high	66 Å²	66	39.4 Å²	39.4	46%	0.462	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	6.8	176.5	57.8	0	0	0	0	113.3	H89 K90 S94	H89-S92 WeakPolarHBondContact CB-OG 3.19Å; K90-S92 VanDerWaalsContact C-N 3.35Å; K90-S92 PolarHBondContact O-N 2.78Å; S92-S94 VanDerWaalsContact C-N 3.31Å; S92-S94 PolarHBondContact O-N 3.14Å; S92-S94 PolarHBondContact OG-OG 2.83Å
93	S	97.3	Very high	97.9	Very high	42 Å²	42	38 Å²	38	29%	0.294	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	43.6	52	-174	-54.7	0	0	0	0	113.4	T45 Y46 H89 K90	T45-S93 CarbonylContact C-O 3.51Å; T45-S93 WeakPolarHBondContact CA-O 3.17Å; Y46-S93 WeakPolarHBondContact CD1-O 3.13Å; Y46-S93 VanDerWaalsContact CE1-CA 3.44Å; Y46-S93 WeakPolarHBondContact CE1-O 3.16Å; Y46-S93 PolarHBondContact N-O 2.87Å; Y46-S93 WeakPolarHBondContact O-CB 3.5Å; H89-S93 WeakPolarHBondContact O-CA 3.43Å; H89-S93 PolarHBondContact O-N 2.86Å; H89-S93 VanDerWaalsContact O-N 3.09Å; K90-S93 PolarHBondContact O-N 2.79Å
94	S	98.3	Very high	97.8	Very high	4 Å²	4	41 Å²	41	3%	0.028	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-133.8	152.6	-173.8	70.4	0	0	0	0	115.3	C44 H89 S92 H96	C44-S94 WeakPolarHBondContact O-CA 3.43Å; C44-S94 WeakPolarHBondContact O-CB 3.49Å; H89-S94 PolarHBondContact N-O 2.78Å; H89-S94 PolarHBondContact O-N 3.06Å; S92-S94 VanDerWaalsContact C-N 3.31Å; S92-S94 PolarHBondContact O-N 3.14Å; S92-S94 PolarHBondContact OG-OG 2.83Å; S94-H96 WeakPolarHBondContact CB-NE2 2.97Å; S94-H96 PolarHBondContact OG-NE2 3.5Å
95	F	98.3	Very high	97.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.263	C	S	.	.			trans	-148.6	61.8	177.6	-168.6	-130.2	0	0	0	109.9	C44 L55 W57 L70 A86 L88	C44-F95 PolarHBondContact O-N 3.31Å; L55-F95 HydrophobicContact CB-CB 3.98Å; L55-F95 HydrophobicContact CB-CD1 3.49Å; L55-F95 VanDerWaalsContact CB-CD1 3.49Å; L55-F95 HydrophobicContact CB-CE1 4.03Å; L55-F95 HydrophobicContact CB-CG 3.76Å; L55-F95 HydrophobicContact CG-CB 4.06Å; L55-F95 HydrophobicContact CG-CD1 4.47Å; L55-F95 HydrophobicContact CG-CG 4.39Å; W57-F95 AromaticContact CD1-CD1 3.49Å; W57-F95 VanDerWaalsContact CD1-CD1 3.49Å; W57-F95 AromaticContact CD1-CE1 3.51Å; W57-F95 AromaticContact NE1-CD1 3.68Å; W57-F95 PolarHBondContact NE1-O 2.96Å; L70-F95 HydrophobicContact CB-CE1 4.48Å; L70-F95 HydrophobicContact CB-CZ 4.27Å; A86-F95 HydrophobicContact CB-CD1 4.46Å; A86-F95 HydrophobicContact CB-CD2 3.82Å; A86-F95 HydrophobicContact CB-CE1 4.17Å; A86-F95 HydrophobicContact CB-CE2 3.46Å; A86-F95 VanDerWaalsContact CB-CE2 3.46Å; A86-F95 HydrophobicContact CB-CG 4.31Å; A86-F95 HydrophobicContact CB-CZ 3.66Å; L88-F95 HydrophobicContact CB-CD2 3.91Å; L88-F95 HydrophobicContact CB-CE2 4.25Å; L88-F95 HydrophobicContact CD1-CB 4.46Å
96	H	98.7	Very high	97.6	Very high	54 Å²	54	44 Å²	44	25%	0.25	26%	0.26	C	S	.	.			trans	-67	137.4	-175.2	-50	-66.3	0	0	0	111.9	L42 N43 C44 A86 S94	L42-H96 WeakPolarHBondContact O-CA 3.33Å; N43-H96 WeakPolarHBondContact CA-ND1 3.3Å; C44-H96 PolarHBondContact N-ND1 3.39Å; A86-H96 WeakPolarHBondContact CA-O 3.18Å; A86-H96 WeakPolarHBondContact CB-O 3.4Å; S94-H96 WeakPolarHBondContact CB-NE2 2.97Å; S94-H96 PolarHBondContact OG-NE2 3.5Å
97	L	98.7	Very high	97.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	130.8	175.6	-169.5	69.3	0	0	0	110.1	M41 L42 W57 L69 L70 F84 A86 Y110	M41-L97 WeakPolarHBondContact CA-O 3.26Å; L42-L97 HydrophobicContact CB-CB 4.26Å; L42-L97 HydrophobicContact CD1-CD2 4.28Å; L42-L97 PolarHBondContact N-O 3.23Å; L42-L97 PolarHBondContact O-N 3.03Å; W57-L97 HydrophobicContact CB-CD1 4.31Å; W57-L97 HydrophobicContact CD2-CB 3.89Å; W57-L97 HydrophobicContact CD2-CD1 4.39Å; W57-L97 HydrophobicContact CD2-CD2 4.05Å; W57-L97 HydrophobicContact CD2-CG 4.34Å; W57-L97 HydrophobicContact CE3-CB 4.46Å; W57-L97 HydrophobicContact CE3-CD2 4.09Å; W57-L97 HydrophobicContact CG-CB 4.25Å; W57-L97 HydrophobicContact CG-CD1 3.95Å; W57-L97 HydrophobicContact CG-CD2 4.32Å; W57-L97 HydrophobicContact CG-CG 4.41Å; W57-L97 HydrophobicContact CH2-CB 4.32Å; W57-L97 HydrophobicContact CZ2-CB 3.72Å; L69-L97 HydrophobicContact CD2-CD1 4.09Å; L69-L97 HydrophobicContact CD2-CD2 3.9Å; L70-L97 HydrophobicContact CD1-CD1 3.51Å; L70-L97 HydrophobicContact CG-CD1 4.4Å; F84-L97 HydrophobicContact CB-CD1 3.92Å; F84-L97 HydrophobicContact CB-CG 4.48Å; F84-L97 HydrophobicContact CD1-CD1 4.14Å; F84-L97 HydrophobicContact CD1-CD2 3.86Å; F84-L97 HydrophobicContact CD1-CG 3.77Å; F84-L97 HydrophobicContact CE1-CD2 4.21Å; F84-L97 HydrophobicContact CE1-CG 4.49Å; F84-L97 HydrophobicContact CG-CD1 4.36Å; F84-L97 HydrophobicContact CG-CG 4.46Å; A86-L97 HydrophobicContact CB-CD1 4.45Å; L97-Y110 HydrophobicContact CD2-CD1 3.48Å; L97-Y110 VanDerWaalsContact CD2-CD1 3.48Å; L97-Y110 HydrophobicContact CD2-CE1 3.91Å; L97-Y110 HydrophobicContact CD2-CG 4.23Å
98	Q	98.5	Very high	97.4	Very high	67 Å²	67	45 Å²	45	31%	0.313	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	148.4	-175.8	-61.1	178.3	-81.7	0	0	111.4	V40 F84 H85	V40-Q98 VanDerWaalsContact O-CA 3.27Å; V40-Q98 WeakPolarHBondContact O-CA 3.37Å; F84-Q98 CarbonylContact C-O 3.48Å; F84-Q98 VanDerWaalsContact CA-O 3.25Å; F84-Q98 WeakPolarHBondContact CA-O 3.01Å; H85-Q98 PolarHBondContact N-O 2.77Å; H85-Q98 PolarHBondContact ND1-O 3.48Å; H85-Q98 WeakPolarHBondContact NE2-CB 3.28Å; H85-Q98 PolarHBondContact O-N 3.38Å
99	K	98.5	Very high	97.3	Very high	13 Å²	13	46.2 Å²	46.2	6%	0.057	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	136.6	168.9	-178.3	171.4	-173.2	-174.5	0	108.7	P39 V40 G83 F84 S101 Q103 D106	P39-K99 CarbonylContact C-O 3.49Å; P39-K99 VanDerWaalsContact CA-O 3.23Å; P39-K99 WeakPolarHBondContact CA-O 3.33Å; V40-K99 HydrophobicContact CB-CB 3.97Å; V40-K99 HydrophobicContact CG2-CB 4.02Å; V40-K99 PolarHBondContact N-O 2.79Å; V40-K99 PolarHBondContact O-N 3.39Å; G83-K99 WeakPolarHBondContact O-CG 3.38Å; F84-K99 HydrophobicContact CD1-CB 3.66Å; F84-K99 HydrophobicContact CD1-CD 4.2Å; F84-K99 HydrophobicContact CD1-CG 4.48Å; F84-K99 HydrophobicContact CD2-CD 4.06Å; F84-K99 HydrophobicContact CE1-CB 3.73Å; F84-K99 HydrophobicContact CE1-CD 3.92Å; F84-K99 HydrophobicContact CE1-CG 4.47Å; F84-K99 HydrophobicContact CE2-CD 3.76Å; F84-K99 HydrophobicContact CG-CB 4.26Å; F84-K99 HydrophobicContact CG-CD 4.27Å; F84-K99 HydrophobicContact CZ-CB 4.37Å; F84-K99 HydrophobicContact CZ-CD 3.68Å; K99-S101 VanDerWaalsContact C-N 3.3Å; K99-S101 VanDerWaalsContact CE-O 3.27Å; K99-S101 WeakPolarHBondContact CE-O 3.26Å; K99-S101 PolarHBondContact O-N 2.84Å; K99-Q103 VanDerWaalsContact NZ-NE2 3.2Å; K99-D106 WeakPolarHBondContact CD-OD2 3.26Å; K99-D106 WeakPolarHBondContact CE-OD2 3.39Å; K99-D106 IonicContact NZ-OD1 2.64Å; K99-D106 PolarHBondContact NZ-OD1 3.21Å; K99-D106 IonicContact NZ-OD2 2.72Å; K99-D106 PolarHBondContact NZ-OD2 2.94Å
100	S	98	Very high	97.3	Very high	98 Å²	98	43.5 Å²	43.5	69%	0.685	26%	0.262	S	S	*	.	S	Bend	trans	-69.3	-28.3	-173.4	-51.6	0	0	0	0	113.8
101	S	97.6	Very high	97.3	Very high	52 Å²	52	42.7 Å²	42.7	36%	0.364	26%	0.258	S	S	.	.	S	Bend	trans	-147.2	114.1	-176.8	173.8	0	0	0	0	109.7	G37 K99	G37-S101 WeakPolarHBondContact CA-OG 3.35Å; K99-S101 VanDerWaalsContact C-N 3.3Å; K99-S101 VanDerWaalsContact CE-O 3.27Å; K99-S101 WeakPolarHBondContact CE-O 3.26Å; K99-S101 PolarHBondContact O-N 2.84Å
102	A	97.5	Very high	97.4	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.008	22%	0.222	C	C	.	.			trans	-67	139.7	174.1	0	0	0	0	0	110.2	L34 E36 G37 L38 V40	L34-A102 HydrophobicContact CB-CB 4.38Å; L34-A102 HydrophobicContact CD1-CB 4.45Å; E36-A102 WeakPolarHBondContact CA-O 3.27Å; E36-A102 VanDerWaalsContact CG-O 3.27Å; E36-A102 WeakPolarHBondContact CG-O 3.27Å; G37-A102 PolarHBondContact N-O 3.17Å; L38-A102 VanDerWaalsContact O-CB 3.27Å; L38-A102 WeakPolarHBondContact O-CB 3.43Å; L38-A102 PolarHBondContact O-N 3.17Å; V40-A102 HydrophobicContact CG2-CB 3.75Å
103	Q	97.1	Very high	97.4	Very high	87 Å²	87	35.9 Å²	35.9	41%	0.407	21%	0.212	S	C	.	.			trans	-122.8	157.3	174.2	-71.1	167.8	73	0	0	109.2	K99 S105 D106	K99-Q103 VanDerWaalsContact NZ-NE2 3.2Å; Q103-S105 PolarHBondContact O-N 2.8Å; Q103-S105 VanDerWaalsContact O-N 3.17Å; Q103-D106 PolarHBondContact N-OD2 3.33Å; Q103-D106 VanDerWaalsContact O-CB 3.26Å; Q103-D106 WeakPolarHBondContact O-CB 3.47Å; Q103-D106 PolarHBondContact O-N 2.92Å
104	L	95.4	Very high	97.3	Very high	95 Å²	95	35.5 Å²	35.5	50%	0.497	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-56.8	-34	177.2	-173	62.2	0	0	0	113	D106 S107	L104-D106 PolarHBondContact O-N 2.93Å; L104-S107 WeakPolarHBondContact O-CB 3.39Å; L104-S107 PolarHBondContact O-N 3.41Å; L104-S107 VanDerWaalsContact O-N 3.14Å; L104-S107 PolarHBondContact O-OG 2.75Å
105	S	95.3	Very high	97	Very high	82 Å²	82	39.3 Å²	39.3	57%	0.573	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-65.4	-13.4	175.9	52.2	0	0	0	0	114.4	Q103 S107	Q103-S105 PolarHBondContact O-N 2.8Å; Q103-S105 VanDerWaalsContact O-N 3.17Å; S105-S107 PolarHBondContact O-N 2.95Å
106	D	96.8	Very high	96.9	Very high	10 Å²	10	41.3 Å²	41.3	5%	0.053	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-80.4	-0.4	173.8	-60.3	-38.3	0	0	0	112.8	V8 F84 K99 Q103 L104 A108 Y110	V8-D106 HydrophobicContact CG1-CB 4.44Å; F84-D106 HydrophobicContact CE2-CB 4.48Å; F84-D106 VanDerWaalsContact CE2-OD1 3.3Å; F84-D106 WeakPolarHBondContact CE2-OD1 3.48Å; F84-D106 HydrophobicContact CZ-CB 4.01Å; K99-D106 WeakPolarHBondContact CD-OD2 3.26Å; K99-D106 WeakPolarHBondContact CE-OD2 3.39Å; K99-D106 IonicContact NZ-OD1 2.64Å; K99-D106 PolarHBondContact NZ-OD1 3.21Å; K99-D106 IonicContact NZ-OD2 2.72Å; K99-D106 PolarHBondContact NZ-OD2 2.94Å; Q103-D106 PolarHBondContact N-OD2 3.33Å; Q103-D106 VanDerWaalsContact O-CB 3.26Å; Q103-D106 WeakPolarHBondContact O-CB 3.47Å; Q103-D106 PolarHBondContact O-N 2.92Å; L104-D106 PolarHBondContact O-N 2.93Å; D106-A108 PolarHBondContact O-N 3.43Å; D106-Y110 WeakPolarHBondContact O-CE2 3.19Å; D106-Y110 PolarHBondContact O-OH 3.39Å
107	S	96.3	Very high	96.8	Very high	39 Å²	39	40.6 Å²	40.6	27%	0.273	24%	0.244	S	C	.	.			trans	-67.8	105.7	175.1	-56.1	0	0	0	0	110.1	V8 L9 L104 S105	V8-S107 WeakPolarHBondContact CG1-OG 3.47Å; L9-S107 PolarHBondContact N-OG 2.83Å; L9-S107 WeakPolarHBondContact O-CA 3.29Å; L9-S107 WeakPolarHBondContact O-CB 3.46Å; L104-S107 WeakPolarHBondContact O-CB 3.39Å; L104-S107 PolarHBondContact O-N 3.41Å; L104-S107 VanDerWaalsContact O-N 3.14Å; L104-S107 PolarHBondContact O-OG 2.75Å; S105-S107 PolarHBondContact O-N 2.95Å
108	A	96.8	Very high	96.7	Very high	8 Å²	8	42.8 Å²	42.8	7%	0.066	26%	0.258	C	S	.	.	S	Bend	trans	-161.9	173.4	-176.9	0	0	0	0	0	111	V10 V59 Q60 H61 D106 Y110	V10-A108 VanDerWaalsContact CA-O 3.29Å; V10-A108 WeakPolarHBondContact CA-O 3.27Å; V10-A108 WeakPolarHBondContact CG1-O 3.45Å; V59-A108 HydrophobicContact CG2-CB 3.46Å; V59-A108 VanDerWaalsContact CG2-CB 3.46Å; Q60-A108 WeakPolarHBondContact O-CB 3.15Å; H61-A108 WeakPolarHBondContact ND1-CB 3.37Å; D106-A108 PolarHBondContact O-N 3.43Å; A108-Y110 HydrophobicContact CB-CD2 4.38Å; A108-Y110 HydrophobicContact CB-CE2 3.79Å
109	L	96.7	Very high	96.6	Very high	25 Å²	25	41.4 Å²	41.4	13%	0.131	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	138.9	160.1	-50.7	112.7	0	0	0	109.9	L11 L13 V59 Q60 Y111	L11-L109 VanDerWaalsContact C-CD2 3.42Å; L11-L109 HydrophobicContact CB-CD2 3.79Å; L11-L109 HydrophobicContact CB-CG 4.04Å; L11-L109 HydrophobicContact CD2-CD2 4.46Å; L11-L109 WeakPolarHBondContact O-CA 3.35Å; L11-L109 WeakPolarHBondContact O-CB 3.38Å; L11-L109 WeakPolarHBondContact O-CD2 3.39Å; L11-L109 WeakPolarHBondContact O-CG 3.11Å; L13-L109 HydrophobicContact CD1-CD2 4.29Å; L13-L109 HydrophobicContact CG-CD2 4.02Å; V59-L109 CarbonylContact C-O 3.5Å; V59-L109 WeakPolarHBondContact CA-O 3.46Å; Q60-L109 HydrophobicContact CB-CB 4.31Å; Q60-L109 HydrophobicContact CB-CD1 4.29Å; Q60-L109 HydrophobicContact CG-CD1 4.27Å; Q60-L109 PolarHBondContact N-O 3.15Å; Q60-L109 PolarHBondContact O-N 2.78Å; L109-Y111 HydrophobicContact CB-CE2 3.76Å
110	Y	97.7	Very high	96.5	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.016	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	124.9	178.9	-68.8	-95.6	0	0	0	110.5	V10 L12 Q27 L42 Y58 V59 L69 F84 L97 D106 A108	V10-Y110 HydrophobicContact CG1-CD2 3.78Å; V10-Y110 HydrophobicContact CG1-CE2 4.3Å; V10-Y110 HydrophobicContact CG2-CD2 4.45Å; V10-Y110 HydrophobicContact CG2-CE2 4.14Å; L12-Y110 VanDerWaalsContact CD2-N 3.31Å; L12-Y110 WeakPolarHBondContact CD2-O 3.43Å; Q27-Y110 PolarHBondContact OE1-O 2.77Å; L42-Y110 HydrophobicContact CD1-CD2 3.96Å; L42-Y110 HydrophobicContact CD1-CG 3.79Å; Y58-Y110 CarbonylContact O-C 3.57Å; Y58-Y110 VanDerWaalsContact O-CA 3.26Å; Y58-Y110 WeakPolarHBondContact O-CA 3.49Å; V59-Y110 HydrophobicContact CB-CD1 4.15Å; V59-Y110 HydrophobicContact CB-CE1 4Å; V59-Y110 HydrophobicContact CG2-CD1 4.13Å; V59-Y110 HydrophobicContact CG2-CE1 3.68Å; V59-Y110 HydrophobicContact CG2-CE2 4.46Å; L69-Y110 HydrophobicContact CD2-CD1 3.89Å; L69-Y110 HydrophobicContact CD2-CE1 3.67Å; F84-Y110 HydrophobicContact CE1-CE1 4.18Å; F84-Y110 HydrophobicContact CE2-CE1 4.23Å; F84-Y110 WeakPolarHBondContact CE2-OH 3.23Å; F84-Y110 AromaticContact CZ-CE1 3.93Å; F84-Y110 HydrophobicContact CZ-CE1 3.93Å; F84-Y110 AromaticContact CZ-CZ 3.73Å; F84-Y110 WeakPolarHBondContact CZ-OH 3.31Å; L97-Y110 HydrophobicContact CD2-CD1 3.48Å; L97-Y110 VanDerWaalsContact CD2-CD1 3.48Å; L97-Y110 HydrophobicContact CD2-CE1 3.91Å; L97-Y110 HydrophobicContact CD2-CG 4.23Å; D106-Y110 WeakPolarHBondContact O-CE2 3.19Å; D106-Y110 PolarHBondContact O-OH 3.39Å; A108-Y110 HydrophobicContact CB-CD2 4.38Å; A108-Y110 HydrophobicContact CB-CE2 3.79Å
111	Y	96.5	Very high	96.4	Very high	36 Å²	36	39.5 Å²	39.5	14%	0.141	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	120.6	-178.3	-52.9	-86.7	0	0	0	110.6	L13 W57 Y58 Q60 L109	L13-Y111 HydrophobicContact CB-CE1 4.31Å; W57-Y111 CarbonylContact C-O 3.5Å; W57-Y111 WeakPolarHBondContact CA-O 3.26Å; W57-Y111 VanDerWaalsContact CE3-C 3.48Å; Y58-Y111 PolarHBondContact N-O 2.92Å; Y58-Y111 PolarHBondContact O-N 3.46Å; Q60-Y111 HydrophobicContact CB-CE2 3.81Å; Q60-Y111 VanDerWaalsContact OE1-CE2 3.3Å; Q60-Y111 PolarHBondContact OE1-OH 3.08Å; L109-Y111 HydrophobicContact CB-CE2 3.76Å
112	C	98.2	Very high	96.3	Very high	6 Å²	6	38.6 Å²	38.6	4%	0.041	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	142.7	162.4	-164.1	0	0	0	0	110.7	Q27 C44 F56 W57	Q27-C112 HydrophobicContact CB-CB 4.39Å; C44-C112 HydrophobicContact CB-CB 3.5Å; C44-C112 WeakPolarHBondContact CB-SG 3.41Å; C44-C112 WeakPolarHBondContact SG-CB 3.35Å; C44-C112 CovalentContact SG-SG 2.01Å; C44-C112 PolarHBondContact SG-SG 2.83Å; F56-C112 CarbonylContact O-C 3.51Å; F56-C112 WeakPolarHBondContact O-CA 3.42Å; W57-C112 HydrophobicContact CD2-CB 4.24Å; W57-C112 HydrophobicContact CE3-CB 4.18Å; W57-C112 HydrophobicContact CH2-CB 3.88Å; W57-C112 HydrophobicContact CZ2-CB 3.93Å; W57-C112 HydrophobicContact CZ3-CB 4Å
113	A	97.4	Very high	96.2	Very high	31 Å²	31	41.5 Å²	41.5	26%	0.256	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	157.9	174.6	0	0	0	0	0	111.4	L55 F56 Y58	L55-A113 WeakPolarHBondContact CA-O 3.33Å; L55-A113 WeakPolarHBondContact CD1-O 3.44Å; F56-A113 HydrophobicContact CB-CB 4.35Å; F56-A113 HydrophobicContact CD2-CB 4.5Å; F56-A113 PolarHBondContact N-O 2.6Å; F56-A113 PolarHBondContact O-N 3.1Å; Y58-A113 HydrophobicContact CD2-CB 4.47Å; Y58-A113 HydrophobicContact CE2-CB 4.24Å
114	L	95.5	Very high	96.1	Very high	33 Å²	33	37.8 Å²	37.8	17%	0.173	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	143.7	179.9	166	68.2	0	0	0	108.9	D23 V25 Y46 T48 P53 F54 L55	D23-L114 HydrophobicContact CB-CD2 3.67Å; D23-L114 HydrophobicContact CB-CG 4.45Å; V25-L114 HydrophobicContact CG1-CB 3.67Å; Y46-L114 HydrophobicContact CD2-CD1 4.37Å; Y46-L114 HydrophobicContact CD2-CD2 4.35Å; T48-L114 HydrophobicContact CG2-CD2 4.42Å; P53-L114 HydrophobicContact CB-CD1 3.31Å; F54-L114 CarbonylContact O-C 3.5Å; F54-L114 WeakPolarHBondContact O-CA 3.23Å; L55-L114 HydrophobicContact CD1-CB 3.98Å; L55-L114 HydrophobicContact CD1-CD1 3.94Å; L55-L114 HydrophobicContact CD2-CD1 4.1Å
115	S	91.2	Very high	96.2	Very high	84 Å²	84	32.5 Å²	32.5	59%	0.587	21%	0.21	S	C	*	.			trans	-143.4	0	165.5	72.8	0	0	0	0	112.5	F54 F56	F54-S115 WeakPolarHBondContact CB-OG 3.46Å; F54-S115 PolarHBondContact N-O 2.94Å; F54-S115 PolarHBondContact O-N 2.81Å; F56-S115 WeakPolarHBondContact CE2-OG 3.42Å

Retrieved 115 of 115 residues in 152.7 ms (Link to these results)

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