A0A075B648_MOUSE Loading...

T cell receptor alpha variable 12-3

AlphaFold DB , UniProt , Accession A0A075B648, Species MOUSE (Mus musculus, Mouse), Gene Trav12-3, Length 115 aa.

						>A0A075B648_MOUSE|A0A075B648|Trav12-3
MRPGTCSVLVLLLMLRRSNGDGDSVTQKEGLVTLTEGLPVMLNCTYQTIYSNAFLFWYVHYLNESPRLLLKSSTDNKRTEHQGFHATLHKSSSSFHLQKSSAQLSDSALYYCALS
					

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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	36.2	Very low	57.7	Low	245 Å²	245	100 Å²	100	100%	1.207	56%	0.56	S	S	*	*				0	95.3	0	-75.2	161.5	174.5	0	0	109.6
2	R	46.7	Very low	57.5	Low	236 Å²	236	93 Å²	93	89%	0.891	52%	0.52	S	S	*	.			trans	-158.6	105.5	154.2	-121.1	-180	177.5	178.1	-1.4	102.6	G4	R2-G4 PolarHBondContact O-N 2.91Å
3	P	55	Low	56.8	Low	122 Å²	122	93.8 Å²	93.8	79%	0.792	52%	0.522	S	S	*	.			trans	-58.5	111.8	166.4	-7.2	20.9	0	0	0	104.4	T5	P3-T5 VanDerWaalsContact C-N 3.32Å; P3-T5 PolarHBondContact O-N 2.96Å
4	G	58.8	Low	56.2	Low	72 Å²	72	96 Å²	96	74%	0.742	53%	0.529	S	S	*	.			trans	-61.1	104.3	170.7	0	0	0	0	0	105.7	R2 C6	R2-G4 PolarHBondContact O-N 2.91Å; G4-C6 PolarHBondContact O-N 3.38Å
5	T	62.1	Low	55.7	Low	99 Å²	99	98.7 Å²	98.7	61%	0.607	54%	0.541	S	S	*	.			trans	-68.4	100.8	173.3	48.1	0	0	0	0	106.4	P3 S7 T35	P3-T5 VanDerWaalsContact C-N 3.32Å; P3-T5 PolarHBondContact O-N 2.96Å; T5-S7 PolarHBondContact O-N 3.4Å; T5-T35 HydrophobicContact CG2-CG2 4.06Å
6	C	73.4	Confident	55.3	Low	62 Å²	62	106.9 Å²	106.9	42%	0.419	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-69.3	121	166	-78.8	0	0	0	0	107.8	G4 E36	G4-C6 PolarHBondContact O-N 3.38Å; C6-E36 HydrophobicContact CB-CG 4.24Å; C6-E36 WeakPolarHBondContact CB-OE1 3.37Å; C6-E36 PolarHBondContact O-N 2.99Å
7	S	63.5	Low	55	Low	66 Å²	66	111.9 Å²	111.9	46%	0.462	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.5	127.8	173.8	-73	0	0	0	0	109.4	T5	T5-S7 PolarHBondContact O-N 3.4Å
8	V	64.9	Low	54.7	Low	1 Å²	1	110.9 Å²	110.9	1%	0.006	58%	0.575	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.5	129.3	174.8	-175.2	0	0	0	0	108.2	V10 T33 L34 E36 S107	V8-V10 HydrophobicContact CG1-CG2 4.27Å; V8-T33 WeakPolarHBondContact O-CA 3.3Å; V8-L34 PolarHBondContact N-O 2.81Å; V8-L34 PolarHBondContact O-N 2.81Å; V8-E36 HydrophobicContact CG2-CG 3.93Å; V8-S107 WeakPolarHBondContact CG1-OG 3.39Å
9	L	58.5	Low	54.5	Low	95 Å²	95	110.1 Å²	110.1	50%	0.497	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.3	113.9	177.3	-113.2	92.7	0	0	0	110.1	L11 L31 S107	L9-L11 HydrophobicContact CD2-CD1 4.49Å; L9-L31 HydrophobicContact CD2-CD1 4.44Å; L9-L31 HydrophobicContact CG-CD1 4.45Å; L9-S107 PolarHBondContact N-OG 3.42Å; L9-S107 WeakPolarHBondContact O-CA 3.48Å; L9-S107 WeakPolarHBondContact O-CB 3.32Å
10	V	62.8	Low	54.4	Low	4 Å²	4	108.2 Å²	108.2	2%	0.024	58%	0.581	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.3	98.2	174.6	179.6	0	0	0	0	108.4	V8 L12 L31 V32 L42 A108 Y110	V8-V10 HydrophobicContact CG1-CG2 4.27Å; V10-L12 HydrophobicContact CG1-CD1 4.38Å; V10-L12 HydrophobicContact CG1-CG 4.3Å; V10-L31 VanDerWaalsContact O-CD1 3.25Å; V10-L31 WeakPolarHBondContact O-CD1 3.27Å; V10-V32 HydrophobicContact CB-CB 4.3Å; V10-V32 WeakPolarHBondContact CB-O 3.44Å; V10-V32 PolarHBondContact N-O 2.8Å; V10-V32 PolarHBondContact O-N 2.68Å; V10-L42 HydrophobicContact CG1-CD1 4.49Å; V10-A108 WeakPolarHBondContact CA-O 3.33Å; V10-A108 VanDerWaalsContact CG1-O 3.32Å; V10-A108 WeakPolarHBondContact CG1-O 3.41Å; V10-Y110 HydrophobicContact CG1-CD2 3.66Å; V10-Y110 HydrophobicContact CG1-CE2 3.99Å
11	L	53.1	Low	54.7	Low	98 Å²	98	111.8 Å²	111.8	51%	0.513	60%	0.6	S	S	.	*			trans	-80.6	127.4	180	-138	90	0	0	0	109	L9 L31 L109	L9-L11 HydrophobicContact CD2-CD1 4.49Å; L11-L31 HydrophobicContact CD1-CD1 3.85Å; L11-L109 WeakPolarHBondContact O-CA 3.36Å; L11-L109 WeakPolarHBondContact O-CB 3.47Å; L11-L109 WeakPolarHBondContact O-CD1 3.43Å; L11-L109 WeakPolarHBondContact O-CG 3.07Å
12	L	54.8	Low	56.6	Low	16 Å²	16	102 Å²	102	8%	0.084	56%	0.562	C	S	.	*			trans	-122.2	121.1	178	-68	163.2	0	0	0	110.4	V10 E29 G30 V32 L42 L109 Y110	V10-L12 HydrophobicContact CG1-CD1 4.38Å; V10-L12 HydrophobicContact CG1-CG 4.3Å; L12-E29 HydrophobicContact CD1-CB 4.03Å; L12-G30 VanDerWaalsContact CB-O 3.31Å; L12-G30 WeakPolarHBondContact CB-O 3.34Å; L12-G30 WeakPolarHBondContact CD1-O 3.35Å; L12-V32 HydrophobicContact CD1-CG2 4.26Å; L12-L42 HydrophobicContact CD1-CD1 4.41Å; L12-L42 HydrophobicContact CD1-CD2 3.91Å; L12-L109 VanDerWaalsContact CA-CD1 3.48Å; L12-L109 HydrophobicContact CD2-CD1 4.14Å; L12-Y110 WeakPolarHBondContact CD2-O 3.28Å
13	L	49	Very low	58.6	Low	104 Å²	104	93.6 Å²	93.6	55%	0.545	54%	0.535	S	S	.	.			trans	-90	119.4	174.6	-76.1	169.2	0	0	0	109.7	L15 L109	L13-L15 PolarHBondContact O-N 3.14Å; L13-L109 HydrophobicContact CD1-CD2 4.08Å; L13-L109 HydrophobicContact CG-CD2 4.38Å
14	M	48.9	Very low	60.5	Low	124 Å²	124	88.9 Å²	88.9	61%	0.611	51%	0.505	S	S	*	.			trans	-71.4	87.6	178.3	-63.2	-67.6	-122	0	0	111	R16	M14-R16 PolarHBondContact O-N 2.89Å
15	L	47.3	Very low	62.2	Low	136 Å²	136	87.2 Å²	87.2	71%	0.712	48%	0.48	S	S	*	.			trans	-87.5	83.5	169.3	-69.3	171.1	0	0	0	109.4	L13 R17	L13-L15 PolarHBondContact O-N 3.14Å; L15-R17 PolarHBondContact O-N 2.88Å
16	R	49.8	Very low	63.8	Low	230 Å²	230	85.7 Å²	85.7	87%	0.868	47%	0.471	S	S	*	.			trans	-76.5	80.4	167.4	-165.7	179.2	-174.7	-175.9	0.4	108.8	M14 S18	M14-R16 PolarHBondContact O-N 2.89Å; R16-S18 PolarHBondContact O-N 3.04Å; R16-S18 VanDerWaalsContact O-N 3.11Å
17	R	51.1	Low	64.8	Low	193 Å²	193	84.3 Å²	84.3	73%	0.728	46%	0.458	S	S	*	.			trans	-80.1	88.8	170	-162.3	174.1	179.2	142.7	-1	108.2	L15 N19	L15-R17 PolarHBondContact O-N 2.88Å; R17-N19 PolarHBondContact O-N 3.2Å
18	S	49.1	Very low	65.7	Low	93 Å²	93	88.1 Å²	88.1	65%	0.65	47%	0.467	S	S	*	.			trans	-90.6	91.7	166.2	177.9	0	0	0	0	107.2	R16	R16-S18 PolarHBondContact O-N 3.04Å; R16-S18 VanDerWaalsContact O-N 3.11Å
19	N	51.2	Low	66.3	Low	95 Å²	95	89.9 Å²	89.9	51%	0.508	48%	0.475	S	S	.	.			trans	-79.2	129.8	156.9	-71.7	-12.2	0	0	0	105.6	R17 D21 G22	R17-N19 PolarHBondContact O-N 3.2Å; N19-D21 PolarHBondContact O-N 3.3Å; N19-G22 PolarHBondContact O-N 2.97Å
20	G	52.2	Low	67.2	Low	73 Å²	73	86.6 Å²	86.6	75%	0.753	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	136.3	179.1	0	0	0	0	0	111.5	G22	G20-G22 VanDerWaalsContact C-N 3.29Å; G20-G22 PolarHBondContact O-N 3.43Å
21	D	59.9	Low	68.2	Low	184 Å²	184	91.3 Å²	91.3	98%	0.984	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.1	42.4	176.4	-152	34.8	0	0	0	115.7	N19	N19-D21 PolarHBondContact O-N 3.3Å
22	G	76.8	Confident	69.8	Low	40 Å²	40	87.8 Å²	87.8	41%	0.412	47%	0.471	S	S	.	.	S	Bend	trans	-141.1	167.6	-173.2	0	0	0	0	0	114.9	N19 G20 S24	N19-G22 PolarHBondContact O-N 2.97Å; G20-G22 VanDerWaalsContact C-N 3.29Å; G20-G22 PolarHBondContact O-N 3.43Å; G22-S24 PolarHBondContact O-N 3.18Å
23	D	88.7	Confident	71.4	Confident	58 Å²	58	90.6 Å²	90.6	31%	0.31	49%	0.489	S	S	.	.			trans	-46.7	132	176.2	-72.3	-13.6	0	0	0	112.4	Q47 T48 Y50 L114	D23-Q47 CarbonylContact C-O 3.56Å; D23-Q47 VanDerWaalsContact CA-O 3.28Å; D23-Q47 WeakPolarHBondContact CA-O 3.26Å; D23-T48 VanDerWaalsContact CG-OG1 3.32Å; D23-T48 WeakPolarHBondContact OD1-CA 3.32Å; D23-T48 WeakPolarHBondContact OD1-CB 3.4Å; D23-T48 PolarHBondContact OD1-OG1 3.26Å; D23-Y50 WeakPolarHBondContact OD2-CD2 3.15Å; D23-Y50 WeakPolarHBondContact OD2-CE2 3.25Å; D23-L114 HydrophobicContact CB-CD2 3.61Å; D23-L114 HydrophobicContact CB-CG 4.37Å
24	S	93.8	Very high	73.4	Confident	24 Å²	24	87.3 Å²	87.3	17%	0.168	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	157.9	-179.9	68.8	0	0	0	0	113	G22 Y46 Q47	G22-S24 PolarHBondContact O-N 3.18Å; S24-Y46 CarbonylContact O-C 3.58Å; S24-Y46 WeakPolarHBondContact O-CA 2.87Å; S24-Y46 WeakPolarHBondContact O-CB 3.39Å; S24-Q47 PolarHBondContact N-O 3.24Å; S24-Q47 PolarHBondContact O-N 2.84Å
25	V	95.7	Very high	75.5	Confident	37 Å²	37	84.1 Å²	84.1	22%	0.224	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	145.9	169.7	-65.6	0	0	0	0	109.6	T45 L114	V25-T45 CarbonylContact C-O 3.47Å; V25-T45 VanDerWaalsContact CA-O 3.3Å; V25-T45 WeakPolarHBondContact CA-O 3.32Å; V25-L114 HydrophobicContact CG1-CB 3.58Å
26	T	95.2	Very high	77.7	Confident	67 Å²	67	81.6 Å²	81.6	41%	0.411	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	119.2	175.6	-62.1	0	0	0	0	109.3	T45	T26-T45 PolarHBondContact N-O 3.06Å; T26-T45 PolarHBondContact O-N 3.08Å; T26-T45 PolarHBondContact O-OG1 3.3Å
27	Q	94.2	Very high	79.9	Confident	33 Å²	33	72.7 Å²	72.7	15%	0.154	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	124.5	167.8	-67.5	179.4	-110.7	0	0	108.3	N43 W57 Y110 C112	Q27-N43 WeakPolarHBondContact CA-O 3.18Å; Q27-W57 HydrophobicContact CG-CH2 4.48Å; Q27-Y110 PolarHBondContact NE2-O 2.8Å; Q27-C112 HydrophobicContact CG-CB 4.05Å
28	K	82.4	Confident	82.1	Confident	146 Å²	146	67.6 Å²	67.6	64%	0.635	41%	0.41	S	S	*	.			trans	-83.1	-31	-176.1	-72.6	-177.4	178.7	177.3	0	111.7
29	E	77	Confident	84.3	Confident	37 Å²	37	67.3 Å²	67.3	17%	0.173	41%	0.406	C	S	.	.			trans	-83.9	128.8	-174.9	-60.4	70.3	-146.5	0	0	110.8	L12 V32 L42 N43	L12-E29 HydrophobicContact CD1-CB 4.03Å; E29-V32 HydrophobicContact CB-CG2 3.68Å; E29-V32 HydrophobicContact CG-CG2 4.09Å; E29-L42 HydrophobicContact CB-CD2 4.46Å; E29-N43 WeakPolarHBondContact OE1-CB 3.12Å; E29-N43 VanDerWaalsContact OE1-CG 3.29Å; E29-N43 PolarHBondContact OE1-ND2 3.37Å; E29-N43 WeakPolarHBondContact OE2-CA 3.31Å; E29-N43 WeakPolarHBondContact OE2-CB 3.4Å; E29-N43 PolarHBondContact OE2-N 3.39Å
30	G	79	Confident	86.4	Confident	26 Å²	26	63.1 Å²	63.1	27%	0.268	38%	0.384	S	S	.	.	S	Bend	trans	-85.7	-132	162.7	0	0	0	0	0	109.8	L12 V32	L12-G30 VanDerWaalsContact CB-O 3.31Å; L12-G30 WeakPolarHBondContact CB-O 3.34Å; L12-G30 WeakPolarHBondContact CD1-O 3.35Å; G30-V32 PolarHBondContact O-N 2.82Å
31	L	82.1	Confident	88.4	Confident	103 Å²	103	64.9 Å²	64.9	54%	0.539	37%	0.374	S	S	.	.	S	Bend	trans	-58.6	122.7	173.2	177.9	58.3	0	0	0	111.4	L9 V10 L11	L9-L31 HydrophobicContact CD2-CD1 4.44Å; L9-L31 HydrophobicContact CG-CD1 4.45Å; V10-L31 VanDerWaalsContact O-CD1 3.25Å; V10-L31 WeakPolarHBondContact O-CD1 3.27Å; L11-L31 HydrophobicContact CD1-CD1 3.85Å
32	V	86.8	Confident	90.2	Very high	25 Å²	25	56.1 Å²	56.1	15%	0.152	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	126.3	173.1	176	0	0	0	0	108.6	V10 L12 E29 G30 L34 L42	V10-V32 HydrophobicContact CB-CB 4.3Å; V10-V32 WeakPolarHBondContact CB-O 3.44Å; V10-V32 PolarHBondContact N-O 2.8Å; V10-V32 PolarHBondContact O-N 2.68Å; L12-V32 HydrophobicContact CD1-CG2 4.26Å; E29-V32 HydrophobicContact CB-CG2 3.68Å; E29-V32 HydrophobicContact CG-CG2 4.09Å; G30-V32 PolarHBondContact O-N 2.82Å; V32-L34 HydrophobicContact CG1-CD1 3.95Å; V32-L34 HydrophobicContact CG1-CD2 4.11Å; V32-L34 HydrophobicContact CG1-CG 3.75Å; V32-L42 HydrophobicContact CB-CD2 4.47Å; V32-L42 HydrophobicContact CG2-CD2 3.95Å
33	T	90	Very high	91.1	Very high	75 Å²	75	55.9 Å²	55.9	46%	0.46	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	123	173.6	-55.1	0	0	0	0	108.7	V8	V8-T33 WeakPolarHBondContact O-CA 3.3Å
34	L	89.6	Confident	91.4	Very high	35 Å²	35	53.1 Å²	53.1	18%	0.183	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	147.5	-177.9	-61.7	168.9	0	0	0	109.4	V8 V32 V40 A102	V8-L34 PolarHBondContact N-O 2.81Å; V8-L34 PolarHBondContact O-N 2.81Å; V32-L34 HydrophobicContact CG1-CD1 3.95Å; V32-L34 HydrophobicContact CG1-CD2 4.11Å; V32-L34 HydrophobicContact CG1-CG 3.75Å; L34-V40 HydrophobicContact CD1-CB 4.2Å; L34-V40 HydrophobicContact CD1-CG1 4.28Å; L34-V40 HydrophobicContact CD1-CG2 3.81Å; L34-A102 HydrophobicContact CB-CB 4.48Å
35	T	93.2	Very high	91.6	Very high	56 Å²	56	54 Å²	54	34%	0.344	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	140.7	165	-51.7	0	0	0	0	109	T5 L38	T5-T35 HydrophobicContact CG2-CG2 4.06Å; T35-L38 VanDerWaalsContact O-CB 3.32Å; T35-L38 WeakPolarHBondContact O-CB 3.46Å; T35-L38 WeakPolarHBondContact O-CG 2.82Å; T35-L38 PolarHBondContact O-N 2.94Å; T35-L38 VanDerWaalsContact O-N 3.14Å
36	E	94.7	Very high	91.6	Very high	83 Å²	83	53 Å²	53	39%	0.388	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	143.5	170.5	-74.3	-175.2	-151.3	0	0	111.8	C6 V8 L38 A102 L104	C6-E36 HydrophobicContact CB-CG 4.24Å; C6-E36 WeakPolarHBondContact CB-OE1 3.37Å; C6-E36 PolarHBondContact O-N 2.99Å; V8-E36 HydrophobicContact CG2-CG 3.93Å; E36-L38 VanDerWaalsContact C-N 3.27Å; E36-L38 PolarHBondContact O-N 2.88Å; E36-A102 WeakPolarHBondContact CA-O 3.25Å; E36-L104 WeakPolarHBondContact OE1-CB 3.49Å
37	G	95.9	Very high	91.6	Very high	44 Å²	44	56.2 Å²	56.2	45%	0.454	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.8	-20.4	-175.9	0	0	0	0	0	114.7	S101 A102	G37-S101 WeakPolarHBondContact CA-OG 3.38Å; G37-A102 PolarHBondContact N-O 3.06Å
38	L	96.1	Very high	91.5	Very high	85 Å²	85	56.5 Å²	56.5	45%	0.445	31%	0.313	S	S	.	.	S	Bend	trans	-78.3	150	178	-64.4	-176.7	0	0	0	111.9	T35 E36 A102	T35-L38 VanDerWaalsContact O-CB 3.32Å; T35-L38 WeakPolarHBondContact O-CB 3.46Å; T35-L38 WeakPolarHBondContact O-CG 2.82Å; T35-L38 PolarHBondContact O-N 2.94Å; T35-L38 VanDerWaalsContact O-N 3.14Å; E36-L38 VanDerWaalsContact C-N 3.27Å; E36-L38 PolarHBondContact O-N 2.88Å; L38-A102 VanDerWaalsContact O-CB 3.3Å; L38-A102 WeakPolarHBondContact O-CB 3.23Å; L38-A102 PolarHBondContact O-N 3.15Å
39	P	96.3	Very high	91.9	Very high	88 Å²	88	56.8 Å²	56.8	57%	0.571	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-68.4	141.1	176.6	28.1	-34.5	0	0	0	111.6	K99	P39-K99 CarbonylContact C-O 3.52Å; P39-K99 VanDerWaalsContact CA-O 3.27Å; P39-K99 WeakPolarHBondContact CA-O 2.86Å
40	V	94.6	Very high	92.5	Very high	7 Å²	7	61.1 Å²	61.1	4%	0.042	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	134.6	170.4	-173.8	0	0	0	0	108.6	L34 L42 F84 Q98 K99 A102	L34-V40 HydrophobicContact CD1-CB 4.2Å; L34-V40 HydrophobicContact CD1-CG1 4.28Å; L34-V40 HydrophobicContact CD1-CG2 3.81Å; V40-L42 HydrophobicContact CG1-CG 4.13Å; V40-F84 HydrophobicContact CB-CE1 4.44Å; V40-F84 HydrophobicContact CG1-CE1 4.26Å; V40-Q98 VanDerWaalsContact O-CA 3.26Å; V40-Q98 WeakPolarHBondContact O-CA 3.28Å; V40-K99 HydrophobicContact CB-CB 4.01Å; V40-K99 HydrophobicContact CG2-CB 4.1Å; V40-K99 PolarHBondContact N-O 2.99Å; V40-K99 PolarHBondContact O-N 3.27Å; V40-A102 HydrophobicContact CG2-CB 3.77Å
41	M	95.2	Very high	92.9	Very high	109 Å²	109	64.9 Å²	64.9	54%	0.537	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	115.8	169.3	-176.9	-178.9	-73.9	0	0	108.8	L97	M41-L97 WeakPolarHBondContact CA-O 3.45Å
42	L	95.9	Very high	93.2	Very high	0 Å²	0	65 Å²	65	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	122.2	174.3	-56.2	-179.3	0	0	0	109.1	V10 L12 E29 V32 V40 W57 H96 L97 Y110	V10-L42 HydrophobicContact CG1-CD1 4.49Å; L12-L42 HydrophobicContact CD1-CD1 4.41Å; L12-L42 HydrophobicContact CD1-CD2 3.91Å; E29-L42 HydrophobicContact CB-CD2 4.46Å; V32-L42 HydrophobicContact CB-CD2 4.47Å; V32-L42 HydrophobicContact CG2-CD2 3.95Å; V40-L42 HydrophobicContact CG1-CG 4.13Å; L42-W57 HydrophobicContact CB-CH2 3.81Å; L42-W57 HydrophobicContact CB-CZ2 4.36Å; L42-W57 HydrophobicContact CB-CZ3 4.47Å; L42-W57 HydrophobicContact CD1-CZ3 4.44Å; L42-H96 WeakPolarHBondContact O-CA 3.44Å; L42-L97 HydrophobicContact CB-CB 4.3Å; L42-L97 HydrophobicContact CD1-CD2 4.35Å; L42-L97 PolarHBondContact N-O 2.77Å; L42-L97 PolarHBondContact O-N 2.99Å; L42-Y110 HydrophobicContact CD1-CD2 4.06Å; L42-Y110 HydrophobicContact CD1-CG 3.94Å
43	N	96.5	Very high	93.5	Very high	35 Å²	35	64 Å²	64	19%	0.187	35%	0.353	C	S	.	.			trans	-84.1	123.4	-176.2	-68	-40.5	0	0	0	109.7	Q27 E29	Q27-N43 WeakPolarHBondContact CA-O 3.18Å; E29-N43 WeakPolarHBondContact OE1-CB 3.12Å; E29-N43 VanDerWaalsContact OE1-CG 3.29Å; E29-N43 PolarHBondContact OE1-ND2 3.37Å; E29-N43 WeakPolarHBondContact OE2-CA 3.31Å; E29-N43 WeakPolarHBondContact OE2-CB 3.4Å; E29-N43 PolarHBondContact OE2-N 3.39Å
44	C	96.3	Very high	93.8	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	126.2	161	178.1	0	0	0	0	110.6	W57 S94 F95 H96 C112	C44-W57 HydrophobicContact CB-CH2 4.13Å; C44-W57 HydrophobicContact CB-CZ2 3.43Å; C44-W57 VanDerWaalsContact CB-CZ2 3.43Å; C44-S94 WeakPolarHBondContact O-CA 3.47Å; C44-F95 PolarHBondContact O-N 3.43Å; C44-H96 PolarHBondContact N-ND1 2.78Å; C44-H96 PolarHBondContact O-CE1 2.91Å; C44-H96 VanDerWaalsContact O-CE1 3.26Å; C44-H96 PolarHBondContact O-ND1 2.95Å; C44-C112 HydrophobicContact CB-CB 3.45Å; C44-C112 VanDerWaalsContact CB-CB 3.45Å; C44-C112 WeakPolarHBondContact CB-SG 3.18Å; C44-C112 WeakPolarHBondContact SG-CB 3.28Å; C44-C112 CovalentContact SG-SG 2.01Å; C44-C112 PolarHBondContact SG-SG 3.46Å
45	T	96.8	Very high	94.2	Very high	42 Å²	42	62.8 Å²	62.8	26%	0.258	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	157.3	167.7	52.7	0	0	0	0	109.3	V25 T26 S93	V25-T45 CarbonylContact C-O 3.47Å; V25-T45 VanDerWaalsContact CA-O 3.3Å; V25-T45 WeakPolarHBondContact CA-O 3.32Å; T26-T45 PolarHBondContact N-O 3.06Å; T26-T45 PolarHBondContact O-N 3.08Å; T26-T45 PolarHBondContact O-OG1 3.3Å; T45-S93 CarbonylContact C-O 3.55Å; T45-S93 WeakPolarHBondContact CA-O 3.49Å
46	Y	95.2	Very high	94.4	Very high	18 Å²	18	61.5 Å²	61.5	7%	0.071	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	161.1	-178.2	70.2	-88.4	0	0	0	111.9	S24 T48 L55 L88 S93 L114	S24-Y46 CarbonylContact O-C 3.58Å; S24-Y46 WeakPolarHBondContact O-CA 2.87Å; S24-Y46 WeakPolarHBondContact O-CB 3.39Å; Y46-T48 HydrophobicContact CD2-CG2 3.68Å; Y46-T48 HydrophobicContact CE2-CG2 3.51Å; Y46-L55 HydrophobicContact CD1-CD1 3.67Å; Y46-L55 HydrophobicContact CD1-CD2 4.07Å; Y46-L55 HydrophobicContact CD1-CG 3.89Å; Y46-L55 HydrophobicContact CD2-CD1 4.49Å; Y46-L55 HydrophobicContact CE1-CD1 4.28Å; Y46-L55 HydrophobicContact CE1-CD2 3.82Å; Y46-L55 HydrophobicContact CE1-CG 3.99Å; Y46-L55 HydrophobicContact CE2-CD2 4.29Å; Y46-L55 HydrophobicContact CG-CD1 3.8Å; Y46-L55 HydrophobicContact CG-CD2 4.41Å; Y46-L55 HydrophobicContact CG-CG 4.4Å; Y46-L88 HydrophobicContact CE1-CD1 3.8Å; Y46-S93 WeakPolarHBondContact CD1-O 3.41Å; Y46-S93 PolarHBondContact N-O 2.68Å; Y46-S93 WeakPolarHBondContact O-CB 3.37Å; Y46-L114 HydrophobicContact CD2-CD1 4.28Å; Y46-L114 HydrophobicContact CD2-CD2 4.35Å
47	Q	95.5	Very high	94.6	Very high	134 Å²	134	57.5 Å²	57.5	63%	0.626	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.7	130.6	170.2	-64.6	-179.8	-13.6	0	0	107.5	D23 S24 L114	D23-Q47 CarbonylContact C-O 3.56Å; D23-Q47 VanDerWaalsContact CA-O 3.28Å; D23-Q47 WeakPolarHBondContact CA-O 3.26Å; S24-Q47 PolarHBondContact N-O 3.24Å; S24-Q47 PolarHBondContact O-N 2.84Å; Q47-L114 WeakPolarHBondContact O-CD2 3.26Å
48	T	92.6	Very high	94.7	Very high	39 Å²	39	59.3 Å²	59.3	24%	0.239	31%	0.305	C	S	.	.			trans	-160.6	153.5	177	-175.4	0	0	0	0	109.9	D23 Y46 Y50 A53	D23-T48 VanDerWaalsContact CG-OG1 3.32Å; D23-T48 WeakPolarHBondContact OD1-CA 3.32Å; D23-T48 WeakPolarHBondContact OD1-CB 3.4Å; D23-T48 PolarHBondContact OD1-OG1 3.26Å; Y46-T48 HydrophobicContact CD2-CG2 3.68Å; Y46-T48 HydrophobicContact CE2-CG2 3.51Å; T48-Y50 WeakPolarHBondContact OG1-CD2 3.47Å; T48-Y50 PolarHBondContact OG1-N 2.96Å; T48-Y50 VanDerWaalsContact OG1-N 3.07Å; T48-A53 HydrophobicContact CG2-CB 3.86Å
49	I	90.9	Very high	94.7	Very high	151 Å²	151	55.3 Å²	55.3	77%	0.774	28%	0.284	S	S	*	.	S	Bend	trans	-88.6	-10.8	169.3	62.7	170.5	0	0	0	112.4
50	Y	89.2	Confident	94.6	Very high	129 Å²	129	53.5 Å²	53.5	51%	0.506	27%	0.268	S	S	.	.			trans	-89.9	122.8	-172.4	-59.9	-67.1	0	0	0	112.5	D23 T48 N52 A53	D23-Y50 WeakPolarHBondContact OD2-CD2 3.15Å; D23-Y50 WeakPolarHBondContact OD2-CE2 3.25Å; T48-Y50 WeakPolarHBondContact OG1-CD2 3.47Å; T48-Y50 PolarHBondContact OG1-N 2.96Å; T48-Y50 VanDerWaalsContact OG1-N 3.07Å; Y50-N52 PolarHBondContact O-N 3.22Å; Y50-A53 PolarHBondContact O-N 2.81Å
51	S	87.6	Confident	94.6	Very high	104 Å²	104	55.2 Å²	55.2	73%	0.727	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-18.2	179.6	60.3	0	0	0	0	113.9	K90	S51-K90 PolarHBondContact O-NZ 3.37Å
52	N	89.5	Confident	94.3	Very high	107 Å²	107	57.1 Å²	57.1	57%	0.572	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	15.3	-178.1	66.7	-29.4	0	0	0	113.7	Y50	Y50-N52 PolarHBondContact O-N 3.22Å
53	A	92.6	Very high	94.2	Very high	4 Å²	4	64.5 Å²	64.5	3%	0.033	33%	0.325	C	S	.	.			trans	-47.3	138.5	174.8	0	0	0	0	0	113.1	T48 Y50 L55 S73 L114 S115	T48-A53 HydrophobicContact CG2-CB 3.86Å; Y50-A53 PolarHBondContact O-N 2.81Å; A53-L55 HydrophobicContact CB-CD2 4.41Å; A53-S73 WeakPolarHBondContact O-CA 3.2Å; A53-S73 WeakPolarHBondContact O-CB 3.44Å; A53-L114 HydrophobicContact CB-CD1 3.49Å; A53-L114 VanDerWaalsContact CB-CD1 3.49Å; A53-S115 CarbonylContact C-O 3.54Å; A53-S115 WeakPolarHBondContact CA-O 3.34Å
54	F	96.5	Very high	94	Very high	83 Å²	83	66.5 Å²	66.5	36%	0.364	33%	0.333	S	S	.	.			trans	-99.2	132	171.1	-77	-97.8	0	0	0	110.2	F56 S73 L114 S115	F54-F56 HydrophobicContact CB-CD2 4.4Å; F54-F56 HydrophobicContact CB-CE1 4.39Å; F54-F56 HydrophobicContact CB-CE2 3.43Å; F54-F56 VanDerWaalsContact CB-CE2 3.43Å; F54-F56 HydrophobicContact CB-CZ 3.43Å; F54-F56 VanDerWaalsContact CB-CZ 3.43Å; F54-F56 HydrophobicContact CD1-CZ 4.44Å; F54-F56 HydrophobicContact CG-CZ 4.19Å; F54-F56 WeakPolarHBondContact O-CE2 3.13Å; F54-S73 WeakPolarHBondContact CE1-OG 3.13Å; F54-S73 VanDerWaalsContact CZ-OG 3.28Å; F54-S73 WeakPolarHBondContact CZ-OG 3.39Å; F54-L114 CarbonylContact O-C 3.51Å; F54-L114 WeakPolarHBondContact O-CA 3.44Å; F54-S115 PolarHBondContact N-O 2.86Å; F54-S115 PolarHBondContact O-N 3.05Å
55	L	97.8	Very high	93.9	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	141.4	172.8	-73.6	-60	0	0	0	109.4	Y46 A53 K71 S72 L88 F95 A113 L114	Y46-L55 HydrophobicContact CD1-CD1 3.67Å; Y46-L55 HydrophobicContact CD1-CD2 4.07Å; Y46-L55 HydrophobicContact CD1-CG 3.89Å; Y46-L55 HydrophobicContact CD2-CD1 4.49Å; Y46-L55 HydrophobicContact CE1-CD1 4.28Å; Y46-L55 HydrophobicContact CE1-CD2 3.82Å; Y46-L55 HydrophobicContact CE1-CG 3.99Å; Y46-L55 HydrophobicContact CE2-CD2 4.29Å; Y46-L55 HydrophobicContact CG-CD1 3.8Å; Y46-L55 HydrophobicContact CG-CD2 4.41Å; Y46-L55 HydrophobicContact CG-CG 4.4Å; A53-L55 HydrophobicContact CB-CD2 4.41Å; L55-K71 CarbonylContact O-C 3.57Å; L55-K71 WeakPolarHBondContact O-CA 3.07Å; L55-S72 PolarHBondContact N-O 3.32Å; L55-S72 PolarHBondContact O-N 2.69Å; L55-L88 HydrophobicContact CB-CD1 4.4Å; L55-L88 HydrophobicContact CD2-CD1 3.75Å; L55-L88 HydrophobicContact CD2-CD2 4.36Å; L55-L88 HydrophobicContact CG-CD1 3.92Å; L55-F95 HydrophobicContact CB-CB 3.96Å; L55-F95 HydrophobicContact CB-CD1 3.5Å; L55-F95 HydrophobicContact CB-CE1 4.08Å; L55-F95 HydrophobicContact CB-CG 3.8Å; L55-F95 HydrophobicContact CG-CB 4.12Å; L55-F95 HydrophobicContact CG-CG 4.48Å; L55-A113 WeakPolarHBondContact CA-O 3.15Å; L55-L114 HydrophobicContact CD1-CB 4.05Å; L55-L114 HydrophobicContact CD1-CD1 3.93Å; L55-L114 HydrophobicContact CD2-CD1 4.08Å
56	F	98	Very high	93.8	Very high	29 Å²	29	71.8 Å²	71.8	13%	0.127	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	146.4	-175.8	-53.1	-94	0	0	0	110.5	F54 Y58 L68 L70 K71 C112 A113	F54-F56 HydrophobicContact CB-CD2 4.4Å; F54-F56 HydrophobicContact CB-CE1 4.39Å; F54-F56 HydrophobicContact CB-CE2 3.43Å; F54-F56 VanDerWaalsContact CB-CE2 3.43Å; F54-F56 HydrophobicContact CB-CZ 3.43Å; F54-F56 VanDerWaalsContact CB-CZ 3.43Å; F54-F56 HydrophobicContact CD1-CZ 4.44Å; F54-F56 HydrophobicContact CG-CZ 4.19Å; F54-F56 WeakPolarHBondContact O-CE2 3.13Å; F56-Y58 HydrophobicContact CB-CD2 4.12Å; F56-Y58 HydrophobicContact CB-CE2 3.62Å; F56-Y58 HydrophobicContact CG-CE2 4.21Å; F56-L68 HydrophobicContact CB-CD1 4.2Å; F56-L68 HydrophobicContact CD1-CD1 3.78Å; F56-L68 HydrophobicContact CG-CD1 4.48Å; F56-L70 CarbonylContact C-O 3.57Å; F56-L70 WeakPolarHBondContact CA-O 3.15Å; F56-K71 HydrophobicContact CD1-CB 3.59Å; F56-K71 HydrophobicContact CE1-CB 3.91Å; F56-K71 HydrophobicContact CE1-CD 4.25Å; F56-K71 HydrophobicContact CG-CB 4.48Å; F56-C112 CarbonylContact O-C 3.52Å; F56-C112 VanDerWaalsContact O-CA 3.29Å; F56-C112 WeakPolarHBondContact O-CA 3.35Å; F56-A113 HydrophobicContact CB-CB 4.32Å; F56-A113 HydrophobicContact CD2-CB 4.49Å; F56-A113 PolarHBondContact N-O 2.78Å; F56-A113 PolarHBondContact O-N 3.31Å
57	W	98	Very high	93.9	Very high	0 Å²	0	77.1 Å²	77.1	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	131.3	158	-82	100.1	0	0	0	109.2	Q27 L42 C44 L69 L70 F95 L97 Y111 C112	Q27-W57 HydrophobicContact CG-CH2 4.48Å; L42-W57 HydrophobicContact CB-CH2 3.81Å; L42-W57 HydrophobicContact CB-CZ2 4.36Å; L42-W57 HydrophobicContact CB-CZ3 4.47Å; L42-W57 HydrophobicContact CD1-CZ3 4.44Å; C44-W57 HydrophobicContact CB-CH2 4.13Å; C44-W57 HydrophobicContact CB-CZ2 3.43Å; C44-W57 VanDerWaalsContact CB-CZ2 3.43Å; W57-L69 HydrophobicContact CB-CB 4.31Å; W57-L69 WeakPolarHBondContact O-CA 3.44Å; W57-L69 WeakPolarHBondContact O-CB 3.29Å; W57-L69 PolarHBondContact O-N 2.97Å; W57-L70 HydrophobicContact CB-CB 4.31Å; W57-L70 PolarHBondContact N-O 3.4Å; W57-L70 PolarHBondContact O-N 2.83Å; W57-F95 AromaticContact CD1-CD1 3.5Å; W57-F95 AromaticContact CD1-CE1 3.53Å; W57-F95 AromaticContact NE1-CD1 3.69Å; W57-F95 PolarHBondContact NE1-O 3.4Å; W57-L97 HydrophobicContact CB-CD1 4.42Å; W57-L97 HydrophobicContact CD2-CB 3.83Å; W57-L97 HydrophobicContact CD2-CD1 4.46Å; W57-L97 HydrophobicContact CD2-CD2 3.89Å; W57-L97 HydrophobicContact CD2-CG 4.29Å; W57-L97 VanDerWaalsContact CE2-CB 3.46Å; W57-L97 HydrophobicContact CE3-CB 4.37Å; W57-L97 HydrophobicContact CE3-CD2 3.89Å; W57-L97 HydrophobicContact CG-CB 4.21Å; W57-L97 HydrophobicContact CG-CD1 4.06Å; W57-L97 HydrophobicContact CG-CD2 4.17Å; W57-L97 HydrophobicContact CG-CG 4.4Å; W57-L97 HydrophobicContact CH2-CB 4.22Å; W57-L97 HydrophobicContact CZ2-CB 3.66Å; W57-L97 HydrophobicContact CZ3-CD2 4.36Å; W57-Y111 CarbonylContact C-O 3.52Å; W57-Y111 WeakPolarHBondContact CA-O 3.37Å; W57-Y111 VanDerWaalsContact CE3-C 3.48Å; W57-C112 HydrophobicContact CD2-CB 4.29Å; W57-C112 HydrophobicContact CE3-CB 4.28Å; W57-C112 HydrophobicContact CH2-CB 4.04Å; W57-C112 HydrophobicContact CZ2-CB 4.03Å; W57-C112 HydrophobicContact CZ3-CB 4.15Å
58	Y	97	Very high	94	Very high	81 Å²	81	74.3 Å²	74.3	32%	0.318	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	146.8	169.5	-70.4	-93.8	0	0	0	109.7	F56 P66 R67 L68 Y110 Y111 A113	F56-Y58 HydrophobicContact CB-CD2 4.12Å; F56-Y58 HydrophobicContact CB-CE2 3.62Å; F56-Y58 HydrophobicContact CG-CE2 4.21Å; Y58-P66 HydrophobicContact CD1-CB 4.48Å; Y58-R67 CarbonylContact C-O 3.56Å; Y58-R67 WeakPolarHBondContact CA-O 3.27Å; Y58-R67 WeakPolarHBondContact CD1-O 3.28Å; Y58-L68 HydrophobicContact CD1-CB 4.46Å; Y58-L68 HydrophobicContact CE1-CB 4.17Å; Y58-L68 HydrophobicContact CE1-CD1 4.25Å; Y58-L68 HydrophobicContact CE2-CD1 4.42Å; Y58-Y110 CarbonylContact O-C 3.48Å; Y58-Y110 VanDerWaalsContact O-CA 3.27Å; Y58-Y110 WeakPolarHBondContact O-CA 3.4Å; Y58-Y111 PolarHBondContact N-O 3.07Å; Y58-Y111 PolarHBondContact O-N 2.86Å; Y58-A113 HydrophobicContact CD2-CB 4.47Å; Y58-A113 HydrophobicContact CE2-CB 4.25Å
59	V	96.3	Very high	94.3	Very high	2 Å²	2	72.9 Å²	72.9	1%	0.012	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	135.9	169.7	61.8	0	0	0	0	109.1	Y61 R67 L69 A108 L109 Y110	V59-Y61 HydrophobicContact CG1-CE2 3.96Å; V59-Y61 HydrophobicContact CG2-CD2 4.38Å; V59-Y61 HydrophobicContact CG2-CE1 4.08Å; V59-Y61 HydrophobicContact CG2-CE2 3.88Å; V59-R67 HydrophobicContact CG1-CB 4.33Å; V59-R67 PolarHBondContact N-O 2.79Å; V59-R67 PolarHBondContact O-N 2.75Å; V59-L69 HydrophobicContact CB-CB 4.49Å; V59-L69 HydrophobicContact CB-CD2 4.44Å; V59-L69 HydrophobicContact CG1-CB 4.25Å; V59-L69 HydrophobicContact CG1-CD1 4.46Å; V59-A108 HydrophobicContact CG2-CB 3.55Å; V59-L109 CarbonylContact C-O 3.49Å; V59-L109 WeakPolarHBondContact CA-O 3.49Å; V59-Y110 HydrophobicContact CB-CD1 4.05Å; V59-Y110 HydrophobicContact CB-CE1 3.93Å; V59-Y110 HydrophobicContact CG2-CD1 4.07Å; V59-Y110 HydrophobicContact CG2-CE1 3.63Å; V59-Y110 HydrophobicContact CG2-CE2 4.49Å
60	H	95.2	Very high	94.6	Very high	50 Å²	50	66.1 Å²	66.1	23%	0.231	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	103.1	-179.2	-179.1	-166.9	0	0	0	108.4	E64 P66 L109 Y111	H60-E64 PolarHBondContact CD2-O 2.65Å; H60-E64 PolarHBondContact NE2-O 3.32Å; H60-P66 HydrophobicContact CB-CB 4.39Å; H60-P66 HydrophobicContact CB-CG 4.29Å; H60-L109 HydrophobicContact CB-CB 4.33Å; H60-L109 PolarHBondContact N-O 3.27Å; H60-L109 PolarHBondContact O-N 2.9Å; H60-Y111 HydrophobicContact CB-CD2 4.46Å; H60-Y111 HydrophobicContact CB-CE2 3.69Å; H60-Y111 AromaticContact ND1-CE2 3.94Å; H60-Y111 PolarHBondContact ND1-OH 2.59Å
61	Y	94	Very high	95.1	Very high	42 Å²	42	65.8 Å²	65.8	17%	0.165	34%	0.336	C	S	.	.			trans	-76.8	154.1	173.6	-61.3	-74.1	0	0	0	110.1	V59 N63 E64 Q82 A108	V59-Y61 HydrophobicContact CG1-CE2 3.96Å; V59-Y61 HydrophobicContact CG2-CD2 4.38Å; V59-Y61 HydrophobicContact CG2-CE1 4.08Å; V59-Y61 HydrophobicContact CG2-CE2 3.88Å; Y61-N63 PolarHBondContact O-N 2.92Å; Y61-E64 PolarHBondContact O-N 2.77Å; Y61-E64 VanDerWaalsContact O-N 3.08Å; Y61-Q82 PolarHBondContact OH-OE1 2.94Å; Y61-A108 HydrophobicContact CD1-CB 3.62Å; Y61-A108 HydrophobicContact CE1-CB 3.73Å; Y61-A108 HydrophobicContact CG-CB 4.39Å
62	L	90.1	Very high	95.6	Very high	149 Å²	149	61 Å²	61	78%	0.78	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	130.5	-179.7	-173.5	67.5	0	0	0	110.7	E64	L62-E64 PolarHBondContact O-N 3.05Å
63	N	91.9	Very high	95.9	Very high	156 Å²	156	57.4 Å²	57.4	83%	0.834	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	14.9	-179.4	-53.6	-37.3	0	0	0	115.8	Y61	Y61-N63 PolarHBondContact O-N 2.92Å
64	E	93.7	Very high	96.1	Very high	77 Å²	77	60.7 Å²	60.7	36%	0.36	31%	0.306	S	S	.	.	S	Bend	trans	-108	173.2	174	-61	-168.5	-175.2	0	0	111.3	H60 Y61 L62 R67	H60-E64 PolarHBondContact CD2-O 2.65Å; H60-E64 PolarHBondContact NE2-O 3.32Å; Y61-E64 PolarHBondContact O-N 2.77Å; Y61-E64 VanDerWaalsContact O-N 3.08Å; L62-E64 PolarHBondContact O-N 3.05Å; E64-R67 IonicContact OE1-NH2 3.94Å; E64-R67 IonicContact OE2-CZ 3.88Å; E64-R67 IonicContact OE2-NE 2.68Å; E64-R67 IonicContact OE2-NH1 3.22Å; E64-R67 PolarHBondContact OE2-NH1 2.9Å; E64-R67 IonicContact OE2-NH2 2.69Å; E64-R67 PolarHBondContact OE2-NH2 3.33Å
65	S	94.1	Very high	96.2	Very high	83 Å²	83	59.7 Å²	59.7	58%	0.58	31%	0.305	S	S	*	.			trans	-85.1	152.9	166.6	55.5	0	0	0	0	111	R67	S65-R67 PolarHBondContact O-N 2.87Å
66	P	95.2	Very high	96.2	Very high	70 Å²	70	64.6 Å²	64.6	46%	0.455	33%	0.331	S	S	.	.			trans	-57.2	133.3	172.7	-25.2	34.1	0	0	0	112.1	Y58 H60	Y58-P66 HydrophobicContact CD1-CB 4.48Å; H60-P66 HydrophobicContact CB-CB 4.39Å; H60-P66 HydrophobicContact CB-CG 4.29Å
67	R	96.8	Very high	96.1	Very high	129 Å²	129	68.2 Å²	68.2	49%	0.487	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	143.9	178.3	-61.5	-178.1	-177	163.7	5.9	110.3	Y58 V59 E64 S65 L69	Y58-R67 CarbonylContact C-O 3.56Å; Y58-R67 WeakPolarHBondContact CA-O 3.27Å; Y58-R67 WeakPolarHBondContact CD1-O 3.28Å; V59-R67 HydrophobicContact CG1-CB 4.33Å; V59-R67 PolarHBondContact N-O 2.79Å; V59-R67 PolarHBondContact O-N 2.75Å; E64-R67 IonicContact OE1-NH2 3.94Å; E64-R67 IonicContact OE2-CZ 3.88Å; E64-R67 IonicContact OE2-NE 2.68Å; E64-R67 IonicContact OE2-NH1 3.22Å; E64-R67 PolarHBondContact OE2-NH1 2.9Å; E64-R67 IonicContact OE2-NH2 2.69Å; E64-R67 PolarHBondContact OE2-NH2 3.33Å; S65-R67 PolarHBondContact O-N 2.87Å; R67-L69 PolarHBondContact O-N 2.79Å
68	L	97.3	Very high	96.1	Very high	76 Å²	76	74.3 Å²	74.3	40%	0.398	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	125.6	173.3	-179.8	67.6	0	0	0	109.6	F56 Y58 L70 K71	F56-L68 HydrophobicContact CB-CD1 4.2Å; F56-L68 HydrophobicContact CD1-CD1 3.78Å; F56-L68 HydrophobicContact CG-CD1 4.48Å; Y58-L68 HydrophobicContact CD1-CB 4.46Å; Y58-L68 HydrophobicContact CE1-CB 4.17Å; Y58-L68 HydrophobicContact CE1-CD1 4.25Å; Y58-L68 HydrophobicContact CE2-CD1 4.42Å; L68-L70 WeakPolarHBondContact CD1-O 3.26Å; L68-K71 HydrophobicContact CD1-CB 4.38Å; L68-K71 HydrophobicContact CD2-CD 4.02Å; L68-K71 HydrophobicContact CD2-CG 4.39Å
69	L	98.2	Very high	96.2	Very high	9 Å²	9	71.3 Å²	71.3	5%	0.047	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-56.9	176.4	-176.4	61.6	0	0	0	110.7	W57 V59 R67 H81 Q82 F84 L97 Y110	W57-L69 HydrophobicContact CB-CB 4.31Å; W57-L69 WeakPolarHBondContact O-CA 3.44Å; W57-L69 WeakPolarHBondContact O-CB 3.29Å; W57-L69 PolarHBondContact O-N 2.97Å; V59-L69 HydrophobicContact CB-CB 4.49Å; V59-L69 HydrophobicContact CB-CD2 4.44Å; V59-L69 HydrophobicContact CG1-CB 4.25Å; V59-L69 HydrophobicContact CG1-CD1 4.46Å; R67-L69 PolarHBondContact O-N 2.79Å; L69-H81 HydrophobicContact CD1-CB 4.41Å; L69-H81 WeakPolarHBondContact O-CB 3.41Å; L69-Q82 HydrophobicContact CD1-CB 4.48Å; L69-F84 HydrophobicContact CD1-CD2 4.4Å; L69-F84 HydrophobicContact CD2-CB 4.18Å; L69-F84 HydrophobicContact CD2-CD2 4.23Å; L69-F84 HydrophobicContact CD2-CG 4.11Å; L69-L97 HydrophobicContact CD2-CD1 4.08Å; L69-L97 HydrophobicContact CD2-CD2 3.83Å; L69-Y110 HydrophobicContact CD2-CD1 3.87Å; L69-Y110 HydrophobicContact CD2-CE1 3.72Å
70	L	98.5	Very high	96.2	Very high	8 Å²	8	76.4 Å²	76.4	4%	0.042	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	154	-179.9	-60.8	177	0	0	0	111	F56 W57 L68 H81 A86 F95 L97	F56-L70 CarbonylContact C-O 3.57Å; F56-L70 WeakPolarHBondContact CA-O 3.15Å; W57-L70 HydrophobicContact CB-CB 4.31Å; W57-L70 PolarHBondContact N-O 3.4Å; W57-L70 PolarHBondContact O-N 2.83Å; L68-L70 WeakPolarHBondContact CD1-O 3.26Å; L70-H81 HydrophobicContact CD2-CB 3.74Å; L70-A86 HydrophobicContact CD1-CB 3.56Å; L70-F95 HydrophobicContact CB-CE1 4.41Å; L70-F95 HydrophobicContact CB-CZ 4.19Å; L70-L97 HydrophobicContact CD1-CD1 3.45Å; L70-L97 VanDerWaalsContact CD1-CD1 3.45Å; L70-L97 HydrophobicContact CG-CD1 4.36Å
71	K	98	Very high	96.4	Very high	122 Å²	122	78.3 Å²	78.3	53%	0.53	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	144.5	170.4	66.6	175.5	177.2	-176.6	0	112.7	L55 F56 L68 T79	L55-K71 CarbonylContact O-C 3.57Å; L55-K71 WeakPolarHBondContact O-CA 3.07Å; F56-K71 HydrophobicContact CD1-CB 3.59Å; F56-K71 HydrophobicContact CE1-CB 3.91Å; F56-K71 HydrophobicContact CE1-CD 4.25Å; F56-K71 HydrophobicContact CG-CB 4.48Å; L68-K71 HydrophobicContact CD1-CB 4.38Å; L68-K71 HydrophobicContact CD2-CD 4.02Å; L68-K71 HydrophobicContact CD2-CG 4.39Å; K71-T79 WeakPolarHBondContact O-CG2 3Å
72	S	98.1	Very high	96.5	Very high	5 Å²	5	81 Å²	81	4%	0.035	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	146.9	170.7	-167.2	0	0	0	0	112.4	L55 T74	L55-S72 PolarHBondContact N-O 3.32Å; L55-S72 PolarHBondContact O-N 2.69Å; S72-T74 PolarHBondContact OG-N 3.11Å; S72-T74 PolarHBondContact OG-O 3.1Å
73	S	96.5	Very high	96.8	Very high	31 Å²	31	75.6 Å²	75.6	22%	0.217	39%	0.386	C	S	.	.			trans	-123.3	-0.2	163.4	57	0	0	0	0	112.6	A53 F54 K90	A53-S73 WeakPolarHBondContact O-CA 3.2Å; A53-S73 WeakPolarHBondContact O-CB 3.44Å; F54-S73 WeakPolarHBondContact CE1-OG 3.13Å; F54-S73 VanDerWaalsContact CZ-OG 3.28Å; F54-S73 WeakPolarHBondContact CZ-OG 3.39Å; S73-K90 WeakPolarHBondContact O-CE 3.22Å; S73-K90 PolarHBondContact O-NZ 3.41Å
74	T	97.2	Very high	97.1	Very high	73 Å²	73	68.2 Å²	68.2	45%	0.448	35%	0.346	S	S	.	.	S	Bend	trans	-97.2	125.8	-177.9	-48.2	0	0	0	0	109.5	S72 K77	S72-T74 PolarHBondContact OG-N 3.11Å; S72-T74 PolarHBondContact OG-O 3.1Å; T74-K77 HydrophobicContact CG2-CB 4.16Å; T74-K77 HydrophobicContact CG2-CD 4.44Å; T74-K77 WeakPolarHBondContact O-CB 3.19Å; T74-K77 PolarHBondContact O-N 3.45Å
75	D	97.5	Very high	97.3	Very high	62 Å²	62	65.8 Å²	65.8	33%	0.332	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	144.2	177.8	-167	37.1	0	0	0	111.5	K77 H89 K90	D75-K77 PolarHBondContact O-N 2.95Å; D75-H89 WeakPolarHBondContact OD1-CA 3.35Å; D75-K90 HydrophobicContact CB-CB 4.45Å; D75-K90 HydrophobicContact CB-CD 3.95Å; D75-K90 HydrophobicContact CB-CG 3.91Å; D75-K90 PolarHBondContact OD1-N 3.21Å
76	N	97.7	Very high	97.6	Very high	102 Å²	102	61.9 Å²	61.9	55%	0.545	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	16.7	-177	-54.4	-59.1	0	0	0	115	R78 L88 H89	N76-R78 PolarHBondContact O-N 2.79Å; N76-L88 WeakPolarHBondContact CA-O 3.13Å; N76-L88 PolarHBondContact N-O 2.01Å; N76-H89 PolarHBondContact OD1-ND1 2.86Å; N76-H89 VanDerWaalsContact OD1-ND1 3.13Å
77	K	96.9	Very high	97.7	Very high	106 Å²	106	59.9 Å²	59.9	46%	0.461	29%	0.294	S	S	.	.			trans	-85.2	114.4	174.7	-176.5	176.6	179.8	177	0	110.2	T74 D75 T79 L88	T74-K77 HydrophobicContact CG2-CB 4.16Å; T74-K77 HydrophobicContact CG2-CD 4.44Å; T74-K77 WeakPolarHBondContact O-CB 3.19Å; T74-K77 PolarHBondContact O-N 3.45Å; D75-K77 PolarHBondContact O-N 2.95Å; K77-T79 HydrophobicContact CG-CG2 4.31Å; K77-L88 PolarHBondContact O-N 2.94Å
78	R	97.9	Very high	97.8	Very high	128 Å²	128	53.7 Å²	53.7	48%	0.483	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	131	166.6	-174.1	172.8	178.3	-90.1	-4.9	109.6	N76 E80 H85	N76-R78 PolarHBondContact O-N 2.79Å; R78-E80 IonicContact CZ-OE2 3.54Å; R78-E80 IonicContact NH1-OE2 2.95Å; R78-E80 PolarHBondContact NH1-OE2 3.3Å; R78-E80 IonicContact NH2-OE1 3.32Å; R78-E80 IonicContact NH2-OE2 2.95Å; R78-E80 PolarHBondContact NH2-OE2 2.96Å; R78-H85 HydrophobicContact CG-CB 4.42Å; R78-H85 VanDerWaalsContact NH2-CG 3.29Å; R78-H85 PolarHBondContact NH2-ND1 2.87Å
79	T	98.2	Very high	97.8	Very high	17 Å²	17	53.3 Å²	53.3	10%	0.104	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	145.2	174.8	59.1	0	0	0	0	108.6	K71 K77 H85 A86	K71-T79 WeakPolarHBondContact O-CG2 3Å; K77-T79 HydrophobicContact CG-CG2 4.31Å; T79-H85 CarbonylContact O-C 3.54Å; T79-H85 WeakPolarHBondContact O-CA 2.95Å; T79-H85 VanDerWaalsContact O-CB 3.26Å; T79-H85 WeakPolarHBondContact O-CB 3.29Å; T79-A86 PolarHBondContact N-O 2.95Å; T79-A86 PolarHBondContact O-N 2.74Å; T79-A86 PolarHBondContact OG1-O 2.86Å
80	E	98.3	Very high	97.7	Very high	109 Å²	109	56 Å²	56	51%	0.509	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	136.7	-175.6	-179.3	166.9	-172.6	0	0	111.6	R78 F84 H85	R78-E80 IonicContact CZ-OE2 3.54Å; R78-E80 IonicContact NH1-OE2 2.95Å; R78-E80 PolarHBondContact NH1-OE2 3.3Å; R78-E80 IonicContact NH2-OE1 3.32Å; R78-E80 IonicContact NH2-OE2 2.95Å; R78-E80 PolarHBondContact NH2-OE2 2.96Å; E80-F84 CarbonylContact C-O 3.5Å; E80-F84 WeakPolarHBondContact CA-O 3.15Å; E80-F84 WeakPolarHBondContact CG-O 3.3Å; E80-H85 HydrophobicContact CB-CB 4.15Å; E80-H85 HydrophobicContact CG-CB 4.34Å
81	H	98.2	Very high	97.5	Very high	90 Å²	90	61 Å²	61	42%	0.417	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	136.9	175.6	-168.3	54	0	0	0	109.9	L69 L70 G83 F84	L69-H81 HydrophobicContact CD1-CB 4.41Å; L69-H81 WeakPolarHBondContact O-CB 3.41Å; L70-H81 HydrophobicContact CD2-CB 3.74Å; H81-G83 PolarHBondContact O-N 3.22Å; H81-G83 VanDerWaalsContact O-N 3.14Å; H81-F84 PolarHBondContact N-O 2.99Å; H81-F84 WeakPolarHBondContact O-CB 3.35Å; H81-F84 PolarHBondContact O-N 3.14Å
82	Q	95.7	Very high	97.5	Very high	100 Å²	100	58.6 Å²	58.6	47%	0.467	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	32.4	179.5	-61.1	175.2	33	0	0	114.1	Y61 L69 F84	Y61-Q82 PolarHBondContact OH-OE1 2.94Å; L69-Q82 HydrophobicContact CD1-CB 4.48Å; Q82-F84 PolarHBondContact O-N 2.87Å
83	G	97.3	Very high	97.4	Very high	34 Å²	34	60.3 Å²	60.3	35%	0.351	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	-6.6	-176.6	0	0	0	0	0	114.7	H81 K99	H81-G83 PolarHBondContact O-N 3.22Å; H81-G83 VanDerWaalsContact O-N 3.14Å; G83-K99 WeakPolarHBondContact O-CG 3.41Å
84	F	98.3	Very high	97.4	Very high	1 Å²	1	59 Å²	59	0%	0.004	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	142.5	168.5	-71.6	-85	0	0	0	110.4	V40 L69 E80 H81 Q82 L97 Q98 K99 D106 Y110	V40-F84 HydrophobicContact CB-CE1 4.44Å; V40-F84 HydrophobicContact CG1-CE1 4.26Å; L69-F84 HydrophobicContact CD1-CD2 4.4Å; L69-F84 HydrophobicContact CD2-CB 4.18Å; L69-F84 HydrophobicContact CD2-CD2 4.23Å; L69-F84 HydrophobicContact CD2-CG 4.11Å; E80-F84 CarbonylContact C-O 3.5Å; E80-F84 WeakPolarHBondContact CA-O 3.15Å; E80-F84 WeakPolarHBondContact CG-O 3.3Å; H81-F84 PolarHBondContact N-O 2.99Å; H81-F84 WeakPolarHBondContact O-CB 3.35Å; H81-F84 PolarHBondContact O-N 3.14Å; Q82-F84 PolarHBondContact O-N 2.87Å; F84-L97 HydrophobicContact CB-CD1 3.85Å; F84-L97 HydrophobicContact CB-CG 4.48Å; F84-L97 HydrophobicContact CD1-CD1 4.11Å; F84-L97 HydrophobicContact CD1-CD2 3.96Å; F84-L97 HydrophobicContact CD1-CG 3.8Å; F84-L97 HydrophobicContact CE1-CD2 4.37Å; F84-L97 HydrophobicContact CG-CD1 4.33Å; F84-L97 HydrophobicContact CG-CG 4.49Å; F84-Q98 CarbonylContact C-O 3.52Å; F84-Q98 VanDerWaalsContact CA-O 3.26Å; F84-Q98 WeakPolarHBondContact CA-O 3.43Å; F84-K99 HydrophobicContact CD1-CB 3.67Å; F84-K99 HydrophobicContact CD1-CD 4.19Å; F84-K99 HydrophobicContact CD1-CG 4.49Å; F84-K99 HydrophobicContact CD2-CD 4.02Å; F84-K99 HydrophobicContact CE1-CB 3.74Å; F84-K99 HydrophobicContact CE1-CD 3.91Å; F84-K99 HydrophobicContact CE1-CG 4.47Å; F84-K99 HydrophobicContact CE2-CD 3.72Å; F84-K99 HydrophobicContact CG-CB 4.26Å; F84-K99 HydrophobicContact CG-CD 4.24Å; F84-K99 HydrophobicContact CZ-CB 4.37Å; F84-K99 HydrophobicContact CZ-CD 3.66Å; F84-D106 HydrophobicContact CE2-CB 4.49Å; F84-D106 HydrophobicContact CZ-CB 4.04Å; F84-Y110 HydrophobicContact CE1-CE1 4.18Å; F84-Y110 HydrophobicContact CE2-CE1 4.18Å; F84-Y110 WeakPolarHBondContact CE2-OH 3.33Å; F84-Y110 AromaticContact CZ-CE1 3.9Å; F84-Y110 HydrophobicContact CZ-CE1 3.9Å; F84-Y110 AromaticContact CZ-CZ 3.69Å; F84-Y110 WeakPolarHBondContact CZ-OH 3.21Å
85	H	98.6	Very high	97.4	Very high	27 Å²	27	55.6 Å²	55.6	13%	0.125	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	155.4	171.7	63	-85	0	0	0	112.2	R78 T79 E80 Q98	R78-H85 HydrophobicContact CG-CB 4.42Å; R78-H85 VanDerWaalsContact NH2-CG 3.29Å; R78-H85 PolarHBondContact NH2-ND1 2.87Å; T79-H85 CarbonylContact O-C 3.54Å; T79-H85 WeakPolarHBondContact O-CA 2.95Å; T79-H85 VanDerWaalsContact O-CB 3.26Å; T79-H85 WeakPolarHBondContact O-CB 3.29Å; E80-H85 HydrophobicContact CB-CB 4.15Å; E80-H85 HydrophobicContact CG-CB 4.34Å; H85-Q98 PolarHBondContact N-O 3Å; H85-Q98 PolarHBondContact ND1-O 2.84Å; H85-Q98 PolarHBondContact O-N 3.44Å
86	A	98.5	Very high	97.5	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	139.4	174.2	0	0	0	0	0	109.7	L70 T79 F95 H96 L97	L70-A86 HydrophobicContact CD1-CB 3.56Å; T79-A86 PolarHBondContact N-O 2.95Å; T79-A86 PolarHBondContact O-N 2.74Å; T79-A86 PolarHBondContact OG1-O 2.86Å; A86-F95 HydrophobicContact CB-CD1 4.49Å; A86-F95 HydrophobicContact CB-CD2 3.8Å; A86-F95 HydrophobicContact CB-CE1 4.22Å; A86-F95 HydrophobicContact CB-CE2 3.46Å; A86-F95 VanDerWaalsContact CB-CE2 3.46Å; A86-F95 HydrophobicContact CB-CG 4.32Å; A86-F95 HydrophobicContact CB-CZ 3.7Å; A86-H96 VanDerWaalsContact CA-O 3.29Å; A86-H96 WeakPolarHBondContact CA-O 3.4Å; A86-H96 WeakPolarHBondContact CB-O 3.09Å; A86-L97 HydrophobicContact CB-CD1 4.45Å
87	T	98.6	Very high	97.5	Very high	28 Å²	28	50.4 Å²	50.4	17%	0.172	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	127.2	174	-56.7	0	0	0	0	108.6	H89	T87-H89 WeakPolarHBondContact CG2-NE2 3.45Å
88	L	98.2	Very high	97.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	122.5	173.7	176.6	60.1	0	0	0	108.8	Y46 L55 N76 K77 K90 F95	Y46-L88 HydrophobicContact CE1-CD1 3.8Å; L55-L88 HydrophobicContact CB-CD1 4.4Å; L55-L88 HydrophobicContact CD2-CD1 3.75Å; L55-L88 HydrophobicContact CD2-CD2 4.36Å; L55-L88 HydrophobicContact CG-CD1 3.92Å; N76-L88 WeakPolarHBondContact CA-O 3.13Å; N76-L88 PolarHBondContact N-O 2.01Å; K77-L88 PolarHBondContact O-N 2.94Å; L88-K90 HydrophobicContact CD2-CG 4.47Å; L88-K90 HydrophobicContact CG-CG 4.35Å; L88-F95 HydrophobicContact CB-CD2 3.86Å; L88-F95 HydrophobicContact CB-CE2 4.2Å; L88-F95 HydrophobicContact CD1-CB 4.29Å; L88-F95 HydrophobicContact CD1-CD2 4.48Å
89	H	97.6	Very high	97.5	Very high	67 Å²	67	42.9 Å²	42.9	31%	0.31	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	107.5	171.2	-63.2	-68.9	0	0	0	108.8	D75 N76 T87 S92 S93 S94	D75-H89 WeakPolarHBondContact OD1-CA 3.35Å; N76-H89 PolarHBondContact OD1-ND1 2.86Å; N76-H89 VanDerWaalsContact OD1-ND1 3.13Å; T87-H89 WeakPolarHBondContact CG2-NE2 3.45Å; H89-S92 VanDerWaalsContact CB-OG 3.28Å; H89-S92 WeakPolarHBondContact CB-OG 3.5Å; H89-S93 WeakPolarHBondContact O-CA 3.36Å; H89-S93 PolarHBondContact O-N 3.4Å; H89-S94 PolarHBondContact N-O 3.11Å; H89-S94 PolarHBondContact O-N 2.81Å
90	K	95.9	Very high	97.4	Very high	66 Å²	66	46.7 Å²	46.7	29%	0.287	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-35.7	-177.5	-67.4	-168.7	-179.1	-177.2	0	112.3	S51 S73 D75 L88 S92 S93	S51-K90 PolarHBondContact O-NZ 3.37Å; S73-K90 WeakPolarHBondContact O-CE 3.22Å; S73-K90 PolarHBondContact O-NZ 3.41Å; D75-K90 HydrophobicContact CB-CB 4.45Å; D75-K90 HydrophobicContact CB-CD 3.95Å; D75-K90 HydrophobicContact CB-CG 3.91Å; D75-K90 PolarHBondContact OD1-N 3.21Å; L88-K90 HydrophobicContact CD2-CG 4.47Å; L88-K90 HydrophobicContact CG-CG 4.35Å; K90-S92 VanDerWaalsContact C-N 3.35Å; K90-S92 PolarHBondContact O-N 3.47Å; K90-S93 PolarHBondContact O-N 3.13Å; K90-S93 VanDerWaalsContact O-N 3.11Å; K90-S93 PolarHBondContact O-OG 2.78Å
91	S	95.3	Very high	97.4	Very high	114 Å²	114	44 Å²	44	80%	0.797	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-38.2	-179.9	56.4	0	0	0	0	113.4
92	S	96.2	Very high	97.3	Very high	70 Å²	70	39.8 Å²	39.8	49%	0.49	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	3.5	174.7	53.9	0	0	0	0	113.4	H89 K90 S94	H89-S92 VanDerWaalsContact CB-OG 3.28Å; H89-S92 WeakPolarHBondContact CB-OG 3.5Å; K90-S92 VanDerWaalsContact C-N 3.35Å; K90-S92 PolarHBondContact O-N 3.47Å; S92-S94 VanDerWaalsContact C-N 3.31Å; S92-S94 PolarHBondContact O-N 3.48Å; S92-S94 PolarHBondContact OG-OG 3.07Å
93	S	96.5	Very high	97.3	Very high	42 Å²	42	39.7 Å²	39.7	29%	0.294	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.1	52.9	-175.4	-49.7	0	0	0	0	112.7	T45 Y46 H89 K90	T45-S93 CarbonylContact C-O 3.55Å; T45-S93 WeakPolarHBondContact CA-O 3.49Å; Y46-S93 WeakPolarHBondContact CD1-O 3.41Å; Y46-S93 PolarHBondContact N-O 2.68Å; Y46-S93 WeakPolarHBondContact O-CB 3.37Å; H89-S93 WeakPolarHBondContact O-CA 3.36Å; H89-S93 PolarHBondContact O-N 3.4Å; K90-S93 PolarHBondContact O-N 3.13Å; K90-S93 VanDerWaalsContact O-N 3.11Å; K90-S93 PolarHBondContact O-OG 2.78Å
94	S	97.3	Very high	97.1	Very high	4 Å²	4	42.5 Å²	42.5	3%	0.028	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	144.6	-172.8	59.4	0	0	0	0	113.5	C44 H89 S92 H96	C44-S94 WeakPolarHBondContact O-CA 3.47Å; H89-S94 PolarHBondContact N-O 3.11Å; H89-S94 PolarHBondContact O-N 2.81Å; S92-S94 VanDerWaalsContact C-N 3.31Å; S92-S94 PolarHBondContact O-N 3.48Å; S92-S94 PolarHBondContact OG-OG 3.07Å; S94-H96 WeakPolarHBondContact CB-CE1 3.18Å
95	F	97.6	Very high	96.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	66.3	173.3	-169.4	-131.3	0	0	0	109.7	C44 L55 W57 L70 A86 L88	C44-F95 PolarHBondContact O-N 3.43Å; L55-F95 HydrophobicContact CB-CB 3.96Å; L55-F95 HydrophobicContact CB-CD1 3.5Å; L55-F95 HydrophobicContact CB-CE1 4.08Å; L55-F95 HydrophobicContact CB-CG 3.8Å; L55-F95 HydrophobicContact CG-CB 4.12Å; L55-F95 HydrophobicContact CG-CG 4.48Å; W57-F95 AromaticContact CD1-CD1 3.5Å; W57-F95 AromaticContact CD1-CE1 3.53Å; W57-F95 AromaticContact NE1-CD1 3.69Å; W57-F95 PolarHBondContact NE1-O 3.4Å; L70-F95 HydrophobicContact CB-CE1 4.41Å; L70-F95 HydrophobicContact CB-CZ 4.19Å; A86-F95 HydrophobicContact CB-CD1 4.49Å; A86-F95 HydrophobicContact CB-CD2 3.8Å; A86-F95 HydrophobicContact CB-CE1 4.22Å; A86-F95 HydrophobicContact CB-CE2 3.46Å; A86-F95 VanDerWaalsContact CB-CE2 3.46Å; A86-F95 HydrophobicContact CB-CG 4.32Å; A86-F95 HydrophobicContact CB-CZ 3.7Å; L88-F95 HydrophobicContact CB-CD2 3.86Å; L88-F95 HydrophobicContact CB-CE2 4.2Å; L88-F95 HydrophobicContact CD1-CB 4.29Å; L88-F95 HydrophobicContact CD1-CD2 4.48Å
96	H	97.7	Very high	96.7	Very high	55 Å²	55	45.2 Å²	45.2	26%	0.255	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	137.2	-173.4	-54	-27.3	0	0	0	111.8	L42 C44 A86 S94	L42-H96 WeakPolarHBondContact O-CA 3.44Å; C44-H96 PolarHBondContact N-ND1 2.78Å; C44-H96 PolarHBondContact O-CE1 2.91Å; C44-H96 VanDerWaalsContact O-CE1 3.26Å; C44-H96 PolarHBondContact O-ND1 2.95Å; A86-H96 VanDerWaalsContact CA-O 3.29Å; A86-H96 WeakPolarHBondContact CA-O 3.4Å; A86-H96 WeakPolarHBondContact CB-O 3.09Å; S94-H96 WeakPolarHBondContact CB-CE1 3.18Å
97	L	98	Very high	96.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	130.6	177.6	-171.9	67	0	0	0	109.9	M41 L42 W57 L69 L70 F84 A86 Y110	M41-L97 WeakPolarHBondContact CA-O 3.45Å; L42-L97 HydrophobicContact CB-CB 4.3Å; L42-L97 HydrophobicContact CD1-CD2 4.35Å; L42-L97 PolarHBondContact N-O 2.77Å; L42-L97 PolarHBondContact O-N 2.99Å; W57-L97 HydrophobicContact CB-CD1 4.42Å; W57-L97 HydrophobicContact CD2-CB 3.83Å; W57-L97 HydrophobicContact CD2-CD1 4.46Å; W57-L97 HydrophobicContact CD2-CD2 3.89Å; W57-L97 HydrophobicContact CD2-CG 4.29Å; W57-L97 VanDerWaalsContact CE2-CB 3.46Å; W57-L97 HydrophobicContact CE3-CB 4.37Å; W57-L97 HydrophobicContact CE3-CD2 3.89Å; W57-L97 HydrophobicContact CG-CB 4.21Å; W57-L97 HydrophobicContact CG-CD1 4.06Å; W57-L97 HydrophobicContact CG-CD2 4.17Å; W57-L97 HydrophobicContact CG-CG 4.4Å; W57-L97 HydrophobicContact CH2-CB 4.22Å; W57-L97 HydrophobicContact CZ2-CB 3.66Å; W57-L97 HydrophobicContact CZ3-CD2 4.36Å; L69-L97 HydrophobicContact CD2-CD1 4.08Å; L69-L97 HydrophobicContact CD2-CD2 3.83Å; L70-L97 HydrophobicContact CD1-CD1 3.45Å; L70-L97 VanDerWaalsContact CD1-CD1 3.45Å; L70-L97 HydrophobicContact CG-CD1 4.36Å; F84-L97 HydrophobicContact CB-CD1 3.85Å; F84-L97 HydrophobicContact CB-CG 4.48Å; F84-L97 HydrophobicContact CD1-CD1 4.11Å; F84-L97 HydrophobicContact CD1-CD2 3.96Å; F84-L97 HydrophobicContact CD1-CG 3.8Å; F84-L97 HydrophobicContact CE1-CD2 4.37Å; F84-L97 HydrophobicContact CG-CD1 4.33Å; F84-L97 HydrophobicContact CG-CG 4.49Å; A86-L97 HydrophobicContact CB-CD1 4.45Å; L97-Y110 HydrophobicContact CD2-CD1 3.56Å; L97-Y110 HydrophobicContact CD2-CE1 4.1Å; L97-Y110 HydrophobicContact CD2-CG 4.24Å
98	Q	97.4	Very high	96.4	Very high	63 Å²	63	46.2 Å²	46.2	29%	0.294	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	148.4	-175.1	-61.4	177.8	-74.9	0	0	111.1	V40 F84 H85	V40-Q98 VanDerWaalsContact O-CA 3.26Å; V40-Q98 WeakPolarHBondContact O-CA 3.28Å; F84-Q98 CarbonylContact C-O 3.52Å; F84-Q98 VanDerWaalsContact CA-O 3.26Å; F84-Q98 WeakPolarHBondContact CA-O 3.43Å; H85-Q98 PolarHBondContact N-O 3Å; H85-Q98 PolarHBondContact ND1-O 2.84Å; H85-Q98 PolarHBondContact O-N 3.44Å
99	K	97.7	Very high	96.2	Very high	14 Å²	14	47.1 Å²	47.1	6%	0.061	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	136.4	168.7	-178.2	169.6	-175.4	178	0	108.9	P39 V40 G83 F84 S101 D106	P39-K99 CarbonylContact C-O 3.52Å; P39-K99 VanDerWaalsContact CA-O 3.27Å; P39-K99 WeakPolarHBondContact CA-O 2.86Å; V40-K99 HydrophobicContact CB-CB 4.01Å; V40-K99 HydrophobicContact CG2-CB 4.1Å; V40-K99 PolarHBondContact N-O 2.99Å; V40-K99 PolarHBondContact O-N 3.27Å; G83-K99 WeakPolarHBondContact O-CG 3.41Å; F84-K99 HydrophobicContact CD1-CB 3.67Å; F84-K99 HydrophobicContact CD1-CD 4.19Å; F84-K99 HydrophobicContact CD1-CG 4.49Å; F84-K99 HydrophobicContact CD2-CD 4.02Å; F84-K99 HydrophobicContact CE1-CB 3.74Å; F84-K99 HydrophobicContact CE1-CD 3.91Å; F84-K99 HydrophobicContact CE1-CG 4.47Å; F84-K99 HydrophobicContact CE2-CD 3.72Å; F84-K99 HydrophobicContact CG-CB 4.26Å; F84-K99 HydrophobicContact CG-CD 4.24Å; F84-K99 HydrophobicContact CZ-CB 4.37Å; F84-K99 HydrophobicContact CZ-CD 3.66Å; K99-S101 VanDerWaalsContact C-N 3.31Å; K99-S101 VanDerWaalsContact CE-O 3.25Å; K99-S101 WeakPolarHBondContact CE-O 3.19Å; K99-S101 PolarHBondContact O-N 2.91Å; K99-D106 WeakPolarHBondContact CD-OD2 3.32Å; K99-D106 VanDerWaalsContact CE-OD2 3.32Å; K99-D106 WeakPolarHBondContact CE-OD2 3.42Å; K99-D106 IonicContact NZ-OD1 2.65Å; K99-D106 PolarHBondContact NZ-OD1 2.93Å; K99-D106 IonicContact NZ-OD2 2.75Å; K99-D106 PolarHBondContact NZ-OD2 2.91Å
100	S	97.2	Very high	96.1	Very high	97 Å²	97	44 Å²	44	68%	0.678	26%	0.264	S	S	*	.	S	Bend	trans	-69.4	-28.7	-173.3	-51.7	0	0	0	0	113.8
101	S	96.7	Very high	96	Very high	53 Å²	53	43 Å²	43	37%	0.371	26%	0.259	S	S	.	.	S	Bend	trans	-147.3	116.5	-177.4	173.5	0	0	0	0	109.9	G37 K99	G37-S101 WeakPolarHBondContact CA-OG 3.38Å; K99-S101 VanDerWaalsContact C-N 3.31Å; K99-S101 VanDerWaalsContact CE-O 3.25Å; K99-S101 WeakPolarHBondContact CE-O 3.19Å; K99-S101 PolarHBondContact O-N 2.91Å
102	A	96.2	Very high	96	Very high	1 Å²	1	38 Å²	38	1%	0.008	22%	0.224	C	C	.	.			trans	-69.7	139.4	175.1	0	0	0	0	0	110.9	L34 E36 G37 L38 V40	L34-A102 HydrophobicContact CB-CB 4.48Å; E36-A102 WeakPolarHBondContact CA-O 3.25Å; G37-A102 PolarHBondContact N-O 3.06Å; L38-A102 VanDerWaalsContact O-CB 3.3Å; L38-A102 WeakPolarHBondContact O-CB 3.23Å; L38-A102 PolarHBondContact O-N 3.15Å; V40-A102 HydrophobicContact CG2-CB 3.77Å
103	Q	95.8	Very high	96	Very high	97 Å²	97	36.1 Å²	36.1	45%	0.453	21%	0.212	S	C	.	.			trans	-121.6	157.2	173.2	-68.4	168	79	0	0	109.4	S105 D106	Q103-S105 PolarHBondContact O-N 3.17Å; Q103-S105 VanDerWaalsContact O-N 3.15Å; Q103-D106 PolarHBondContact N-OD2 2.95Å; Q103-D106 VanDerWaalsContact O-CB 3.23Å; Q103-D106 WeakPolarHBondContact O-CB 3.43Å; Q103-D106 PolarHBondContact O-N 3.22Å
104	L	93.8	Very high	96	Very high	94 Å²	94	35.8 Å²	35.8	49%	0.492	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-55.3	-35.2	176.3	-169.2	61.3	0	0	0	112.8	E36 D106 S107	E36-L104 WeakPolarHBondContact OE1-CB 3.49Å; L104-D106 PolarHBondContact O-N 3.46Å; L104-S107 VanDerWaalsContact O-CB 3.28Å; L104-S107 WeakPolarHBondContact O-CB 3.34Å; L104-S107 PolarHBondContact O-N 3.49Å; L104-S107 PolarHBondContact O-OG 3.03Å
105	S	93.6	Very high	95.7	Very high	78 Å²	78	40.2 Å²	40.2	55%	0.545	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-64.2	-13.8	175.9	60.7	0	0	0	0	114.3	Q103	Q103-S105 PolarHBondContact O-N 3.17Å; Q103-S105 VanDerWaalsContact O-N 3.15Å
106	D	95.3	Very high	95.6	Very high	7 Å²	7	42.2 Å²	42.2	4%	0.037	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-83	-0.4	174.3	-58.6	-34.4	0	0	0	112.6	F84 K99 Q103 L104 A108 Y110	F84-D106 HydrophobicContact CE2-CB 4.49Å; F84-D106 HydrophobicContact CZ-CB 4.04Å; K99-D106 WeakPolarHBondContact CD-OD2 3.32Å; K99-D106 VanDerWaalsContact CE-OD2 3.32Å; K99-D106 WeakPolarHBondContact CE-OD2 3.42Å; K99-D106 IonicContact NZ-OD1 2.65Å; K99-D106 PolarHBondContact NZ-OD1 2.93Å; K99-D106 IonicContact NZ-OD2 2.75Å; K99-D106 PolarHBondContact NZ-OD2 2.91Å; Q103-D106 PolarHBondContact N-OD2 2.95Å; Q103-D106 VanDerWaalsContact O-CB 3.23Å; Q103-D106 WeakPolarHBondContact O-CB 3.43Å; Q103-D106 PolarHBondContact O-N 3.22Å; L104-D106 PolarHBondContact O-N 3.46Å; D106-A108 PolarHBondContact O-N 3.4Å; D106-Y110 WeakPolarHBondContact O-CE2 3.5Å; D106-Y110 PolarHBondContact O-OH 2.76Å; D106-Y110 VanDerWaalsContact O-OH 3.06Å
107	S	94.6	Very high	95.5	Very high	40 Å²	40	41.5 Å²	41.5	28%	0.28	25%	0.25	S	C	.	.			trans	-67.7	96.7	175	-57.2	0	0	0	0	109.9	V8 L9 L104	V8-S107 WeakPolarHBondContact CG1-OG 3.39Å; L9-S107 PolarHBondContact N-OG 3.42Å; L9-S107 WeakPolarHBondContact O-CA 3.48Å; L9-S107 WeakPolarHBondContact O-CB 3.32Å; L104-S107 VanDerWaalsContact O-CB 3.28Å; L104-S107 WeakPolarHBondContact O-CB 3.34Å; L104-S107 PolarHBondContact O-N 3.49Å; L104-S107 PolarHBondContact O-OG 3.03Å
108	A	95.2	Very high	95.4	Very high	8 Å²	8	43.8 Å²	43.8	7%	0.066	26%	0.263	C	S	.	.	S	Bend	trans	-156.4	177.6	-178.4	0	0	0	0	0	110.8	V10 V59 Y61 D106 Y110	V10-A108 WeakPolarHBondContact CA-O 3.33Å; V10-A108 VanDerWaalsContact CG1-O 3.32Å; V10-A108 WeakPolarHBondContact CG1-O 3.41Å; V59-A108 HydrophobicContact CG2-CB 3.55Å; Y61-A108 HydrophobicContact CD1-CB 3.62Å; Y61-A108 HydrophobicContact CE1-CB 3.73Å; Y61-A108 HydrophobicContact CG-CB 4.39Å; D106-A108 PolarHBondContact O-N 3.4Å; A108-Y110 HydrophobicContact CB-CD2 4.5Å; A108-Y110 HydrophobicContact CB-CE2 3.84Å
109	L	94.7	Very high	95.3	Very high	19 Å²	19	42.7 Å²	42.7	10%	0.099	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	125.2	173.6	165.7	53.1	0	0	0	109.9	L11 L12 L13 V59 H60 Y111	L11-L109 WeakPolarHBondContact O-CA 3.36Å; L11-L109 WeakPolarHBondContact O-CB 3.47Å; L11-L109 WeakPolarHBondContact O-CD1 3.43Å; L11-L109 WeakPolarHBondContact O-CG 3.07Å; L12-L109 VanDerWaalsContact CA-CD1 3.48Å; L12-L109 HydrophobicContact CD2-CD1 4.14Å; L13-L109 HydrophobicContact CD1-CD2 4.08Å; L13-L109 HydrophobicContact CG-CD2 4.38Å; V59-L109 CarbonylContact C-O 3.49Å; V59-L109 WeakPolarHBondContact CA-O 3.49Å; H60-L109 HydrophobicContact CB-CB 4.33Å; H60-L109 PolarHBondContact N-O 3.27Å; H60-L109 PolarHBondContact O-N 2.9Å; L109-Y111 HydrophobicContact CD1-CD1 4.15Å; L109-Y111 HydrophobicContact CD1-CE1 3.64Å; L109-Y111 HydrophobicContact CD1-CE2 4.17Å; L109-Y111 HydrophobicContact CD2-CE1 3.96Å; L109-Y111 HydrophobicContact CD2-CE2 4.02Å; L109-Y111 WeakPolarHBondContact CD2-OH 3.44Å; L109-Y111 HydrophobicContact CG-CD2 4.3Å; L109-Y111 HydrophobicContact CG-CE1 3.81Å; L109-Y111 HydrophobicContact CG-CE2 3.54Å; L109-Y111 WeakPolarHBondContact CG-OH 3.44Å
110	Y	95.8	Very high	95.1	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.008	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.5	-174.7	-63.8	-98.1	0	0	0	111.8	V10 L12 Q27 L42 Y58 V59 L69 F84 L97 D106 A108	V10-Y110 HydrophobicContact CG1-CD2 3.66Å; V10-Y110 HydrophobicContact CG1-CE2 3.99Å; L12-Y110 WeakPolarHBondContact CD2-O 3.28Å; Q27-Y110 PolarHBondContact NE2-O 2.8Å; L42-Y110 HydrophobicContact CD1-CD2 4.06Å; L42-Y110 HydrophobicContact CD1-CG 3.94Å; Y58-Y110 CarbonylContact O-C 3.48Å; Y58-Y110 VanDerWaalsContact O-CA 3.27Å; Y58-Y110 WeakPolarHBondContact O-CA 3.4Å; V59-Y110 HydrophobicContact CB-CD1 4.05Å; V59-Y110 HydrophobicContact CB-CE1 3.93Å; V59-Y110 HydrophobicContact CG2-CD1 4.07Å; V59-Y110 HydrophobicContact CG2-CE1 3.63Å; V59-Y110 HydrophobicContact CG2-CE2 4.49Å; L69-Y110 HydrophobicContact CD2-CD1 3.87Å; L69-Y110 HydrophobicContact CD2-CE1 3.72Å; F84-Y110 HydrophobicContact CE1-CE1 4.18Å; F84-Y110 HydrophobicContact CE2-CE1 4.18Å; F84-Y110 WeakPolarHBondContact CE2-OH 3.33Å; F84-Y110 AromaticContact CZ-CE1 3.9Å; F84-Y110 HydrophobicContact CZ-CE1 3.9Å; F84-Y110 AromaticContact CZ-CZ 3.69Å; F84-Y110 WeakPolarHBondContact CZ-OH 3.21Å; L97-Y110 HydrophobicContact CD2-CD1 3.56Å; L97-Y110 HydrophobicContact CD2-CE1 4.1Å; L97-Y110 HydrophobicContact CD2-CG 4.24Å; D106-Y110 WeakPolarHBondContact O-CE2 3.5Å; D106-Y110 PolarHBondContact O-OH 2.76Å; D106-Y110 VanDerWaalsContact O-OH 3.06Å; A108-Y110 HydrophobicContact CB-CD2 4.5Å; A108-Y110 HydrophobicContact CB-CE2 3.84Å
111	Y	93.2	Very high	95	Very high	46 Å²	46	41 Å²	41	18%	0.18	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	132.2	-179.5	-49.7	-90.4	0	0	0	110.9	W57 Y58 H60 L109	W57-Y111 CarbonylContact C-O 3.52Å; W57-Y111 WeakPolarHBondContact CA-O 3.37Å; W57-Y111 VanDerWaalsContact CE3-C 3.48Å; Y58-Y111 PolarHBondContact N-O 3.07Å; Y58-Y111 PolarHBondContact O-N 2.86Å; H60-Y111 HydrophobicContact CB-CD2 4.46Å; H60-Y111 HydrophobicContact CB-CE2 3.69Å; H60-Y111 AromaticContact ND1-CE2 3.94Å; H60-Y111 PolarHBondContact ND1-OH 2.59Å; L109-Y111 HydrophobicContact CD1-CD1 4.15Å; L109-Y111 HydrophobicContact CD1-CE1 3.64Å; L109-Y111 HydrophobicContact CD1-CE2 4.17Å; L109-Y111 HydrophobicContact CD2-CE1 3.96Å; L109-Y111 HydrophobicContact CD2-CE2 4.02Å; L109-Y111 WeakPolarHBondContact CD2-OH 3.44Å; L109-Y111 HydrophobicContact CG-CD2 4.3Å; L109-Y111 HydrophobicContact CG-CE1 3.81Å; L109-Y111 HydrophobicContact CG-CE2 3.54Å; L109-Y111 WeakPolarHBondContact CG-OH 3.44Å
112	C	96.5	Very high	94.8	Very high	8 Å²	8	40.1 Å²	40.1	5%	0.054	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	144.1	164.9	-167.5	0	0	0	0	109.9	Q27 C44 F56 W57	Q27-C112 HydrophobicContact CG-CB 4.05Å; C44-C112 HydrophobicContact CB-CB 3.45Å; C44-C112 VanDerWaalsContact CB-CB 3.45Å; C44-C112 WeakPolarHBondContact CB-SG 3.18Å; C44-C112 WeakPolarHBondContact SG-CB 3.28Å; C44-C112 CovalentContact SG-SG 2.01Å; C44-C112 PolarHBondContact SG-SG 3.46Å; F56-C112 CarbonylContact O-C 3.52Å; F56-C112 VanDerWaalsContact O-CA 3.29Å; F56-C112 WeakPolarHBondContact O-CA 3.35Å; W57-C112 HydrophobicContact CD2-CB 4.29Å; W57-C112 HydrophobicContact CE3-CB 4.28Å; W57-C112 HydrophobicContact CH2-CB 4.04Å; W57-C112 HydrophobicContact CZ2-CB 4.03Å; W57-C112 HydrophobicContact CZ3-CB 4.15Å
113	A	96.3	Very high	94.7	Very high	31 Å²	31	43.2 Å²	43.2	26%	0.256	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	160.2	175.1	0	0	0	0	0	111.5	L55 F56 Y58	L55-A113 WeakPolarHBondContact CA-O 3.15Å; F56-A113 HydrophobicContact CB-CB 4.32Å; F56-A113 HydrophobicContact CD2-CB 4.49Å; F56-A113 PolarHBondContact N-O 2.78Å; F56-A113 PolarHBondContact O-N 3.31Å; Y58-A113 HydrophobicContact CD2-CB 4.47Å; Y58-A113 HydrophobicContact CE2-CB 4.25Å
114	L	95.3	Very high	94.6	Very high	34 Å²	34	38.7 Å²	38.7	18%	0.178	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	140.3	-179.9	168.6	66.6	0	0	0	108.7	D23 V25 Y46 Q47 A53 F54 L55	D23-L114 HydrophobicContact CB-CD2 3.61Å; D23-L114 HydrophobicContact CB-CG 4.37Å; V25-L114 HydrophobicContact CG1-CB 3.58Å; Y46-L114 HydrophobicContact CD2-CD1 4.28Å; Y46-L114 HydrophobicContact CD2-CD2 4.35Å; Q47-L114 WeakPolarHBondContact O-CD2 3.26Å; A53-L114 HydrophobicContact CB-CD1 3.49Å; A53-L114 VanDerWaalsContact CB-CD1 3.49Å; F54-L114 CarbonylContact O-C 3.51Å; F54-L114 WeakPolarHBondContact O-CA 3.44Å; L55-L114 HydrophobicContact CD1-CB 4.05Å; L55-L114 HydrophobicContact CD1-CD1 3.93Å; L55-L114 HydrophobicContact CD2-CD1 4.08Å
115	S	91.6	Very high	94.7	Very high	97 Å²	97	33.6 Å²	33.6	68%	0.678	22%	0.217	S	C	*	.			trans	-144.8	0	169	95.7	0	0	0	0	112.9	A53 F54	A53-S115 CarbonylContact C-O 3.54Å; A53-S115 WeakPolarHBondContact CA-O 3.34Å; F54-S115 PolarHBondContact N-O 2.86Å; F54-S115 PolarHBondContact O-N 3.05Å

Retrieved 115 of 115 residues in 107.5 ms (Link to these results)

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