A0A087WZ39_HUMAN Loading...

T cell receptor beta variable 15

AlphaFold DB , UniProt , Accession A0A087WZ39, Species HUMAN (Homo sapiens, Human), Gene TRBV15, Length 114 aa.

						>A0A087WZ39_HUMAN|A0A087WZ39|TRBV15
MGPGLLHWMALCLLGTGHGDAMVIQNPRYQVTQFGKPVTLSCSQTLNHNVMYWYQQKSSQAPKLLFHYYDKDFNNEADTPDNFQSRRPNTSFCFLDIRSPGLGDAAMYLCATSR
					

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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	47.1	Very low	57.9	Low	250 Å²	250	124.8 Å²	124.8	100%	1.232	69%	0.686	S	S	*	*				0	113.7	0	-78.5	153.3	144.9	0	0	107.1
2	G	57.3	Low	58.2	Low	56 Å²	56	123.5 Å²	123.5	58%	0.577	69%	0.691	S	S	*	*			trans	-74.1	153	-155.9	0	0	0	0	0	115.6	G4	G2-G4 PolarHBondContact O-N 2.9Å
3	P	57	Low	58.4	Low	118 Å²	118	125.2 Å²	125.2	77%	0.766	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	-1.6	176.7	25.8	-32.9	0	0	0	114.7	L5	P3-L5 VanDerWaalsContact C-N 3.3Å; P3-L5 PolarHBondContact O-N 3.37Å
4	G	59.6	Low	58.5	Low	52 Å²	52	126.9 Å²	126.9	54%	0.536	70%	0.702	S	S	.	*	H	α-helix	trans	-65.9	-25.3	178.7	0	0	0	0	0	114.8	G2 H7	G2-G4 PolarHBondContact O-N 2.9Å; G4-H7 PolarHBondContact O-N 3.06Å
5	L	58.2	Low	58.5	Low	124 Å²	124	122.7 Å²	122.7	65%	0.649	70%	0.699	S	S	*	*	H	α-helix	trans	-72	-31.9	-176.9	-131.5	114.7	0	0	0	112.8	P3 H7	P3-L5 VanDerWaalsContact C-N 3.3Å; P3-L5 PolarHBondContact O-N 3.37Å; L5-H7 VanDerWaalsContact C-N 3.28Å; L5-H7 PolarHBondContact O-N 3.09Å
6	L	56.5	Low	58.4	Low	125 Å²	125	123 Å²	123	65%	0.654	70%	0.704	S	S	*	*	H	α-helix	trans	-68.5	-30.2	178.9	-66.6	171.7	0	0	0	111.7	M9 A10	L6-M9 HydrophobicContact CD2-CE 3.75Å; L6-M9 PolarHBondContact O-N 3.16Å; L6-A10 PolarHBondContact O-N 3.46Å
7	H	60	Low	58.4	Low	157 Å²	157	119.9 Å²	119.9	73%	0.727	71%	0.705	S	S	*	*	H	α-helix	trans	-71.3	-35.2	-178	-147.3	70.9	0	0	0	112.6	G4 L5 L11	G4-H7 PolarHBondContact O-N 3.06Å; L5-H7 VanDerWaalsContact C-N 3.28Å; L5-H7 PolarHBondContact O-N 3.09Å; H7-L11 PolarHBondContact O-N 3.27Å
8	W	58.1	Low	58.3	Low	202 Å²	202	122.4 Å²	122.4	77%	0.765	71%	0.709	S	S	*	*	H	α-helix	trans	-72	-35.8	174.7	-88.9	-21	0	0	0	113.4	A10 L11 C12	W8-A10 VanDerWaalsContact C-N 3.31Å; W8-A10 PolarHBondContact O-N 2.81Å; W8-L11 PolarHBondContact O-N 2.68Å; W8-C12 PolarHBondContact O-N 3.22Å; W8-C12 PolarHBondContact O-SG 2.96Å
9	M	60.5	Low	58.3	Low	105 Å²	105	119 Å²	119	52%	0.517	70%	0.703	S	S	.	*	H	α-helix	trans	-65.9	-34.2	177.3	-70.8	-171.2	-74.8	0	0	112.4	L6	L6-M9 HydrophobicContact CD2-CE 3.75Å; L6-M9 PolarHBondContact O-N 3.16Å
10	A	61.8	Low	58.6	Low	54 Å²	54	120.2 Å²	120.2	45%	0.446	71%	0.706	S	S	.	*	H	α-helix	trans	-67.5	-38.1	176.3	0	0	0	0	0	112.7	L6 W8 C12 L13 L14	L6-A10 PolarHBondContact O-N 3.46Å; W8-A10 VanDerWaalsContact C-N 3.31Å; W8-A10 PolarHBondContact O-N 2.81Å; A10-C12 VanDerWaalsContact C-N 3.34Å; A10-C12 PolarHBondContact O-N 2.94Å; A10-L13 PolarHBondContact O-N 3.11Å; A10-L14 VanDerWaalsContact O-CD1 3.31Å; A10-L14 WeakPolarHBondContact O-CD1 3.41Å
11	L	61.3	Low	58.9	Low	130 Å²	130	116.1 Å²	116.1	68%	0.681	69%	0.686	S	S	*	*	H	α-helix	trans	-69.5	-30.4	-178.5	-160.1	71.7	0	0	0	112.7	H7 W8 L13	H7-L11 PolarHBondContact O-N 3.27Å; W8-L11 PolarHBondContact O-N 2.68Å; L11-L13 VanDerWaalsContact C-N 3.25Å; L11-L13 PolarHBondContact O-N 2.86Å
12	C	61.6	Low	60.9	Low	109 Å²	109	108.8 Å²	108.8	74%	0.736	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-19.9	178.1	-68	0	0	0	0	114	W8 A10	W8-C12 PolarHBondContact O-N 3.22Å; W8-C12 PolarHBondContact O-SG 2.96Å; A10-C12 VanDerWaalsContact C-N 3.34Å; A10-C12 PolarHBondContact O-N 2.94Å
13	L	60.4	Low	62.8	Low	145 Å²	145	108.4 Å²	108.4	76%	0.759	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-18.3	-178.2	-73.3	165	0	0	0	113.8	A10 L11 G15	A10-L13 PolarHBondContact O-N 3.11Å; L11-L13 VanDerWaalsContact C-N 3.25Å; L11-L13 PolarHBondContact O-N 2.86Å; L13-G15 VanDerWaalsContact C-N 3.28Å; L13-G15 PolarHBondContact O-N 2.79Å
14	L	59.3	Low	64.7	Low	149 Å²	149	107 Å²	107	78%	0.78	62%	0.621	S	S	*	*	S	Bend	trans	-83	-0.6	179.3	-80.4	91	0	0	0	113.9	A10 T16	A10-L14 VanDerWaalsContact O-CD1 3.31Å; A10-L14 WeakPolarHBondContact O-CD1 3.41Å; L14-T16 PolarHBondContact O-N 2.78Å
15	G	58.5	Low	66.5	Low	64 Å²	64	107.6 Å²	107.6	66%	0.66	61%	0.61	S	S	*	*			trans	-89	11	-170	0	0	0	0	0	117.2	L13	L13-G15 VanDerWaalsContact C-N 3.28Å; L13-G15 PolarHBondContact O-N 2.79Å
16	T	56.9	Low	68.4	Low	128 Å²	128	106.6 Å²	106.6	79%	0.785	61%	0.605	S	S	*	*			trans	-111.6	69.2	176.3	56.3	0	0	0	0	110.2	L14 H18	L14-T16 PolarHBondContact O-N 2.78Å; T16-H18 PolarHBondContact O-N 2.95Å
17	G	58.1	Low	70.3	Confident	70 Å²	70	102.3 Å²	102.3	72%	0.722	59%	0.585	S	S	*	*			trans	-49.9	116.5	155.6	0	0	0	0	0	106.6	G19	G17-G19 PolarHBondContact O-N 3.23Å
18	H	57	Low	72	Confident	165 Å²	165	104.4 Å²	104.4	76%	0.764	59%	0.587	S	S	*	*			trans	-58.9	94.1	166.3	-166	72.7	0	0	0	104.1	T16 D20	T16-H18 PolarHBondContact O-N 2.95Å; H18-D20 PolarHBondContact O-N 3.07Å
19	G	58.8	Low	73.8	Confident	58 Å²	58	104 Å²	104	60%	0.598	59%	0.587	S	S	*	*			trans	-49.7	130.5	179.3	0	0	0	0	0	106.4	G17 A21	G17-G19 PolarHBondContact O-N 3.23Å; G19-A21 WeakPolarHBondContact O-CA 3.4Å; G19-A21 PolarHBondContact O-N 2.63Å
20	D	63.2	Low	75.5	Confident	143 Å²	143	103.6 Å²	103.6	77%	0.765	58%	0.583	S	S	*	*			trans	-41.6	107.4	-179.7	-168.8	3.7	0	0	0	108.3	H18 M22	H18-D20 PolarHBondContact O-N 3.07Å; D20-M22 VanDerWaalsContact C-N 3.3Å; D20-M22 PolarHBondContact O-N 3.1Å
21	A	66.5	Low	77.2	Confident	35 Å²	35	107.7 Å²	107.7	29%	0.289	60%	0.602	S	S	.	*			trans	-72.7	96.5	-167.6	0	0	0	0	0	107.1	G19 V23 I24	G19-A21 WeakPolarHBondContact O-CA 3.4Å; G19-A21 PolarHBondContact O-N 2.63Å; A21-V23 PolarHBondContact O-N 3.24Å; A21-V23 VanDerWaalsContact O-N 3.16Å; A21-I24 HydrophobicContact CB-CG1 4.16Å; A21-I24 WeakPolarHBondContact O-CG1 3.36Å
22	M	89.3	Confident	78.9	Confident	95 Å²	95	104.3 Å²	104.3	47%	0.468	59%	0.588	S	S	.	*	S	Bend	trans	-56	-30.3	-172.7	177.1	161.6	172.1	0	0	113.9	D20 Q44 T45 L46	D20-M22 VanDerWaalsContact C-N 3.3Å; D20-M22 PolarHBondContact O-N 3.1Å; M22-Q44 WeakPolarHBondContact O-CA 3.4Å; M22-T45 PolarHBondContact O-N 2.84Å; M22-L46 HydrophobicContact CB-CD1 4.26Å; M22-L46 HydrophobicContact CB-CD2 4.39Å; M22-L46 HydrophobicContact CE-CB 4.38Å; M22-L46 HydrophobicContact CE-CD1 3.58Å; M22-L46 HydrophobicContact CE-CD2 3.23Å; M22-L46 HydrophobicContact CE-CG 3.1Å; M22-L46 HydrophobicContact CG-CD1 3.01Å; M22-L46 HydrophobicContact CG-CD2 3.23Å; M22-L46 HydrophobicContact CG-CG 3.41Å; M22-L46 VanDerWaalsContact CG-CG 3.41Å; M22-L46 WeakPolarHBondContact O-CD1 3.4Å; M22-L46 HydrophobicContact SD-CD1 4.01Å; M22-L46 HydrophobicContact SD-CD2 3.48Å; M22-L46 WeakPolarHBondContact SD-CD2 3.45Å; M22-L46 HydrophobicContact SD-CG 3.84Å
23	V	95.9	Very high	80.5	Confident	49 Å²	49	105.7 Å²	105.7	30%	0.297	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-133.4	127.4	174	-176	0	0	0	0	108.6	A21 C42 S43 Q44 L46 T112	A21-V23 PolarHBondContact O-N 3.24Å; A21-V23 VanDerWaalsContact O-N 3.16Å; V23-C42 VanDerWaalsContact CG1-SG 3.58Å; V23-S43 CarbonylContact C-O 3.56Å; V23-S43 WeakPolarHBondContact CA-O 3.05Å; V23-Q44 HydrophobicContact CG2-CB 4.25Å; V23-L46 HydrophobicContact CG2-CD1 4.18Å; V23-T112 HydrophobicContact CG1-CG2 4.18Å; V23-T112 HydrophobicContact CG2-CG2 3.82Å
24	I	96.4	Very high	82.2	Confident	87 Å²	87	106.2 Å²	106.2	45%	0.446	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.4	133.7	-176.2	-58.9	173.5	0	0	0	109.1	A21 C42 S43	A21-I24 HydrophobicContact CB-CG1 4.16Å; A21-I24 WeakPolarHBondContact O-CG1 3.36Å; I24-C42 CarbonylContact O-C 3.58Å; I24-C42 VanDerWaalsContact O-CA 3.31Å; I24-C42 WeakPolarHBondContact O-CA 3.25Å; I24-S43 PolarHBondContact N-O 3.32Å; I24-S43 PolarHBondContact O-N 2.72Å
25	Q	97.8	Very high	83.9	Confident	66 Å²	66	100.8 Å²	100.8	31%	0.308	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.3	137.7	174.2	-69.5	-177.9	-113.6	0	0	111	S41 C42 W53 Y108 C110	Q25-S41 CarbonylContact C-O 3.57Å; Q25-S41 VanDerWaalsContact CA-O 3.29Å; Q25-S41 WeakPolarHBondContact CA-O 3.33Å; Q25-C42 HydrophobicContact CG-CB 4.41Å; Q25-W53 HydrophobicContact CG-CH2 4.48Å; Q25-W53 VanDerWaalsContact NE2-CZ3 3.32Å; Q25-Y108 PolarHBondContact NE2-O 3.34Å; Q25-C110 VanDerWaalsContact CD-N 3.29Å; Q25-C110 HydrophobicContact CG-CB 3.68Å
26	N	97.7	Very high	85.8	Confident	102 Å²	102	103.2 Å²	103.2	55%	0.545	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-139.8	135.2	177.7	174.4	71.5	0	0	0	112.2	S41	N26-S41 WeakPolarHBondContact CB-OG 3.28Å; N26-S41 PolarHBondContact N-O 2.97Å; N26-S41 PolarHBondContact O-N 3Å; N26-S41 PolarHBondContact O-OG 3.3Å
27	P	97.8	Very high	87.7	Confident	36 Å²	36	101.7 Å²	101.7	23%	0.234	54%	0.544	C	S	.	.			cis	-72.9	159.9	-8.7	32.2	-35.3	0	0	0	112.1	Q30 L40	P27-Q30 HydrophobicContact CG-CB 4.09Å; P27-Q30 VanDerWaalsContact CG-OE1 3.31Å; P27-L40 HydrophobicContact CG-CD2 4.25Å
28	R	95.6	Very high	89.6	Confident	201 Å²	201	98.8 Å²	98.8	76%	0.758	51%	0.513	S	S	*	.	S	Bend	trans	-69.4	-35.5	175.3	-174.7	179.8	-69.9	177.3	-0.2	112.2
29	Y	96.5	Very high	91.6	Very high	193 Å²	193	94.1 Å²	94.1	76%	0.757	50%	0.496	S	S	*	.	S	Bend	trans	-133.7	136.1	176.2	-54.8	-78.7	0	0	0	108.3
30	Q	96.1	Very high	93.5	Very high	96 Å²	96	92.1 Å²	92.1	45%	0.449	47%	0.471	S	S	.	.			trans	-127.7	126.1	176.2	-177.2	64	19.2	0	0	109.6	P27 V38 L40	P27-Q30 HydrophobicContact CG-CB 4.09Å; P27-Q30 VanDerWaalsContact CG-OE1 3.31Å; Q30-V38 HydrophobicContact CG-CB 4.4Å; Q30-V38 HydrophobicContact CG-CG1 3.69Å; Q30-V38 HydrophobicContact CG-CG2 3.77Å; Q30-L40 HydrophobicContact CB-CD2 4.37Å
31	V	96.3	Very high	95.2	Very high	140 Å²	140	86.4 Å²	86.4	85%	0.848	44%	0.443	S	S	*	.			trans	-117.8	126.7	170.1	-177.6	0	0	0	0	107
32	T	96.3	Very high	96.7	Very high	60 Å²	60	84.8 Å²	84.8	37%	0.368	43%	0.429	S	S	.	.			trans	-139.2	162	-177.2	-164.3	0	0	0	0	110.4	K36 V38 P100	T32-K36 WeakPolarHBondContact OG1-CB 3.45Å; T32-K36 PolarHBondContact OG1-O 2.61Å; T32-V38 HydrophobicContact CG2-CG2 3.54Å; T32-P100 HydrophobicContact CG2-CB 4.15Å; T32-P100 HydrophobicContact CG2-CG 4.17Å
33	Q	96.1	Very high	97.1	Very high	137 Å²	137	81.7 Å²	81.7	64%	0.64	42%	0.417	S	S	*	.			trans	-82.3	157.8	170	-61.5	174.8	-25.7	0	0	110.3	G35 K36	Q33-G35 PolarHBondContact O-N 3.28Å; Q33-K36 HydrophobicContact CB-CB 4.42Å; Q33-K36 HydrophobicContact CB-CG 3.73Å; Q33-K36 WeakPolarHBondContact O-CB 3.14Å; Q33-K36 PolarHBondContact O-N 2.76Å; Q33-K36 VanDerWaalsContact O-N 3.09Å
34	F	95.3	Very high	97.1	Very high	157 Å²	157	79.7 Å²	79.7	69%	0.689	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	134.5	172.4	-70.8	-83.7	0	0	0	111.7	K36 L102	F34-K36 PolarHBondContact O-N 3.11Å; F34-L102 HydrophobicContact CE1-CB 4.07Å; F34-L102 HydrophobicContact CZ-CB 4.47Å
35	G	96.2	Very high	97	Very high	35 Å²	35	80.3 Å²	80.3	36%	0.361	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.6	-1.2	178.1	0	0	0	0	0	115.3	Q33 P37 P100	Q33-G35 PolarHBondContact O-N 3.28Å; G35-P37 WeakPolarHBondContact O-CD 3.3Å; G35-P100 PolarHBondContact N-O 2.82Å
36	K	97.7	Very high	96.8	Very high	115 Å²	115	79.2 Å²	79.2	50%	0.5	41%	0.408	S	S	.	.			trans	-82.6	117.6	173.1	-67.6	-61.7	-174.7	-175.8	0	109.6	T32 Q33 F34 P100	T32-K36 WeakPolarHBondContact OG1-CB 3.45Å; T32-K36 PolarHBondContact OG1-O 2.61Å; Q33-K36 HydrophobicContact CB-CB 4.42Å; Q33-K36 HydrophobicContact CB-CG 3.73Å; Q33-K36 WeakPolarHBondContact O-CB 3.14Å; Q33-K36 PolarHBondContact O-N 2.76Å; Q33-K36 VanDerWaalsContact O-N 3.09Å; F34-K36 PolarHBondContact O-N 3.11Å; K36-P100 WeakPolarHBondContact O-CD 3.39Å; K36-P100 VanDerWaalsContact O-CG 3.25Å; K36-P100 WeakPolarHBondContact O-CG 3.38Å
37	P	97.9	Very high	96.6	Very high	96 Å²	96	80 Å²	80	62%	0.623	41%	0.412	S	S	*	.			trans	-55.3	144.3	-176.8	-21.2	27.4	0	0	0	112.8	G35 I97 R98	G35-P37 WeakPolarHBondContact O-CD 3.3Å; P37-I97 CarbonylContact C-O 3.6Å; P37-I97 VanDerWaalsContact CA-O 3.28Å; P37-I97 WeakPolarHBondContact CA-O 3.19Å; P37-R98 VanDerWaalsContact CG-O 3.3Å; P37-R98 WeakPolarHBondContact CG-O 3.22Å
38	V	98.1	Very high	96.5	Very high	9 Å²	9	79.2 Å²	79.2	6%	0.055	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	138.8	175.4	163.7	0	0	0	0	109.3	Q30 T32 L40 D96 I97 P100	Q30-V38 HydrophobicContact CG-CB 4.4Å; Q30-V38 HydrophobicContact CG-CG1 3.69Å; Q30-V38 HydrophobicContact CG-CG2 3.77Å; T32-V38 HydrophobicContact CG2-CG2 3.54Å; V38-L40 HydrophobicContact CG1-CD2 3.9Å; V38-L40 HydrophobicContact CG1-CG 4.17Å; V38-D96 CarbonylContact O-C 3.51Å; V38-D96 WeakPolarHBondContact O-CA 3.36Å; V38-I97 PolarHBondContact N-O 3.5Å; V38-I97 PolarHBondContact O-N 3.43Å; V38-P100 HydrophobicContact CB-CG 4.4Å; V38-P100 HydrophobicContact CG2-CG 4.21Å
39	T	98.5	Very high	96.6	Very high	67 Å²	67	71.9 Å²	71.9	41%	0.411	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	125.2	169.9	-62.1	0	0	0	0	109.2	F94 D96	T39-F94 HydrophobicContact CG2-CD1 3.92Å; T39-D96 VanDerWaalsContact CB-OD1 3.28Å; T39-D96 WeakPolarHBondContact CB-OD1 3.24Å; T39-D96 WeakPolarHBondContact CG2-OD1 3.42Å; T39-D96 PolarHBondContact OG1-OD1 3.08Å
40	L	98.7	Very high	96.6	Very high	15 Å²	15	63.1 Å²	63.1	8%	0.079	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	139.6	167.4	-53.7	-178.4	0	0	0	108.7	P27 Q30 V38 W53 F94 L95 Y108	P27-L40 HydrophobicContact CG-CD2 4.25Å; Q30-L40 HydrophobicContact CB-CD2 4.37Å; V38-L40 HydrophobicContact CG1-CD2 3.9Å; V38-L40 HydrophobicContact CG1-CG 4.17Å; L40-W53 HydrophobicContact CB-CH2 3.65Å; L40-W53 HydrophobicContact CB-CZ2 4.21Å; L40-W53 HydrophobicContact CB-CZ3 4.2Å; L40-W53 HydrophobicContact CD1-CZ3 4.25Å; L40-F94 WeakPolarHBondContact O-CA 3.18Å; L40-L95 HydrophobicContact CB-CB 4.36Å; L40-L95 HydrophobicContact CD1-CD2 4.16Å; L40-L95 PolarHBondContact N-O 3.16Å; L40-L95 PolarHBondContact O-N 2.83Å; L40-Y108 HydrophobicContact CD1-CD1 4.47Å; L40-Y108 HydrophobicContact CD1-CD2 3.72Å; L40-Y108 HydrophobicContact CD1-CG 3.64Å
41	S	98.4	Very high	96.8	Very high	24 Å²	24	58.5 Å²	58.5	17%	0.168	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	143.8	179.7	59.1	0	0	0	0	110	Q25 N26	Q25-S41 CarbonylContact C-O 3.57Å; Q25-S41 VanDerWaalsContact CA-O 3.29Å; Q25-S41 WeakPolarHBondContact CA-O 3.33Å; N26-S41 WeakPolarHBondContact CB-OG 3.28Å; N26-S41 PolarHBondContact N-O 2.97Å; N26-S41 PolarHBondContact O-N 3Å; N26-S41 PolarHBondContact O-OG 3.3Å
42	C	98.2	Very high	96.9	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.007	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	132.5	172.3	179.3	0	0	0	0	109.1	V23 I24 Q25 M51 W53 F92 C93 C110	V23-C42 VanDerWaalsContact CG1-SG 3.58Å; I24-C42 CarbonylContact O-C 3.58Å; I24-C42 VanDerWaalsContact O-CA 3.31Å; I24-C42 WeakPolarHBondContact O-CA 3.25Å; Q25-C42 HydrophobicContact CG-CB 4.41Å; C42-M51 HydrophobicContact CB-CE 4.04Å; C42-M51 WeakPolarHBondContact SG-CE 3.32Å; C42-W53 HydrophobicContact CB-CH2 4.2Å; C42-W53 HydrophobicContact CB-CZ2 3.52Å; C42-F92 CarbonylContact O-C 3.56Å; C42-F92 WeakPolarHBondContact O-CA 3.41Å; C42-C93 PolarHBondContact N-O 2.75Å; C42-C93 PolarHBondContact O-N 3.11Å; C42-C110 HydrophobicContact CB-CB 3.47Å; C42-C110 VanDerWaalsContact CB-CB 3.47Å; C42-C110 WeakPolarHBondContact CB-SG 3.48Å; C42-C110 WeakPolarHBondContact SG-CB 3.46Å; C42-C110 CovalentContact SG-SG 2.01Å; C42-C110 PolarHBondContact SG-SG 3.34Å
43	S	97.1	Very high	97	Very high	30 Å²	30	51.5 Å²	51.5	21%	0.21	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	150.2	177	60.3	0	0	0	0	111.8	V23 I24 S91	V23-S43 CarbonylContact C-O 3.56Å; V23-S43 WeakPolarHBondContact CA-O 3.05Å; I24-S43 PolarHBondContact N-O 3.32Å; I24-S43 PolarHBondContact O-N 2.72Å; S43-S91 CarbonylContact C-O 3.48Å; S43-S91 WeakPolarHBondContact CA-O 3.29Å
44	Q	95.8	Very high	97.1	Very high	7 Å²	7	48.1 Å²	48.1	3%	0.033	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	150.8	-178.9	64.6	106.6	-4.6	0	0	112.8	M22 V23 L46 H48 M51 T90 S91 T112	M22-Q44 WeakPolarHBondContact O-CA 3.4Å; V23-Q44 HydrophobicContact CG2-CB 4.25Å; Q44-L46 HydrophobicContact CB-CD1 4.19Å; Q44-L46 VanDerWaalsContact OE1-CB 3.31Å; Q44-H48 PolarHBondContact NE2-O 2.81Å; Q44-M51 HydrophobicContact CG-CE 4.15Å; Q44-M51 HydrophobicContact CG-SD 4.12Å; Q44-T90 PolarHBondContact NE2-O 2.74Å; Q44-S91 PolarHBondContact N-O 2.99Å; Q44-T112 HydrophobicContact CB-CG2 3.82Å; Q44-T112 HydrophobicContact CG-CG2 3.93Å
45	T	95.2	Very high	97.2	Very high	99 Å²	99	41.5 Å²	41.5	61%	0.607	23%	0.231	S	C	*	.	S	Bend	trans	-112.5	10.7	-177.4	54.5	0	0	0	0	113.7	M22	M22-T45 PolarHBondContact O-N 2.84Å
46	L	93.8	Very high	97.3	Very high	44 Å²	44	42.4 Å²	42.4	23%	0.23	23%	0.226	C	C	.	.	S	Bend	trans	-90.9	-9	-174.4	-62.6	98.2	0	0	0	117.1	M22 V23 Q44 H48	M22-L46 HydrophobicContact CB-CD1 4.26Å; M22-L46 HydrophobicContact CB-CD2 4.39Å; M22-L46 HydrophobicContact CE-CB 4.38Å; M22-L46 HydrophobicContact CE-CD1 3.58Å; M22-L46 HydrophobicContact CE-CD2 3.23Å; M22-L46 HydrophobicContact CE-CG 3.1Å; M22-L46 HydrophobicContact CG-CD1 3.01Å; M22-L46 HydrophobicContact CG-CD2 3.23Å; M22-L46 HydrophobicContact CG-CG 3.41Å; M22-L46 VanDerWaalsContact CG-CG 3.41Å; M22-L46 WeakPolarHBondContact O-CD1 3.4Å; M22-L46 HydrophobicContact SD-CD1 4.01Å; M22-L46 HydrophobicContact SD-CD2 3.48Å; M22-L46 WeakPolarHBondContact SD-CD2 3.45Å; M22-L46 HydrophobicContact SD-CG 3.84Å; V23-L46 HydrophobicContact CG2-CD1 4.18Å; Q44-L46 HydrophobicContact CB-CD1 4.19Å; Q44-L46 VanDerWaalsContact OE1-CB 3.31Å; L46-H48 HydrophobicContact CB-CB 4.23Å; L46-H48 WeakPolarHBondContact CB-CD2 3.39Å; L46-H48 PolarHBondContact O-N 2.95Å
47	N	92.7	Very high	97.2	Very high	118 Å²	118	40.4 Å²	40.4	63%	0.631	22%	0.218	S	C	*	.			trans	57.3	37.2	-165.9	-164	57.5	0	0	0	111.6
48	H	96.7	Very high	97.1	Very high	19 Å²	19	41 Å²	41	9%	0.088	22%	0.224	C	C	.	.			trans	-72.8	134.1	169.5	-81.5	179.1	0	0	0	110.7	Q44 L46 R87 T112 S113 R114	Q44-H48 PolarHBondContact NE2-O 2.81Å; L46-H48 HydrophobicContact CB-CB 4.23Å; L46-H48 WeakPolarHBondContact CB-CD2 3.39Å; L46-H48 PolarHBondContact O-N 2.95Å; H48-R87 PolarHBondContact O-NH2 2.87Å; H48-T112 PolarHBondContact ND1-O 3.41Å; H48-T112 PolarHBondContact ND1-OG1 2.8Å; H48-S113 CarbonylContact C-O 3.59Å; H48-S113 WeakPolarHBondContact CB-O 3.31Å; H48-S113 VanDerWaalsContact CG-C 3.47Å; H48-S113 PolarHBondContact ND1-N 3.36Å; H48-R114 WeakPolarHBondContact CD2-CG 3.38Å
49	N	96.6	Very high	96.9	Very high	47 Å²	47	46.7 Å²	46.7	25%	0.251	26%	0.264	S	S	.	.	S	Bend	trans	-84.6	-16.7	-177.2	-67.1	-7.9	0	0	0	111.9	D70 R87 S113	N49-D70 WeakPolarHBondContact CB-OD1 3.22Å; N49-D70 PolarHBondContact O-N 3.09Å; N49-R87 PolarHBondContact O-NH1 2.96Å; N49-R87 PolarHBondContact O-NH2 3.13Å; N49-S113 PolarHBondContact N-O 2.88Å
50	V	98.1	Very high	96.8	Very high	9 Å²	9	48.2 Å²	48.2	6%	0.055	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	134.9	-179.4	-158.1	0	0	0	0	111.6	Y52 Y68 Y69 T112 S113	V50-Y52 HydrophobicContact CB-CE2 3.96Å; V50-Y52 HydrophobicContact CG1-CD2 4.33Å; V50-Y52 HydrophobicContact CG1-CE1 3.87Å; V50-Y52 HydrophobicContact CG1-CE2 3.57Å; V50-Y52 WeakPolarHBondContact CG1-OH 3.43Å; V50-Y68 VanDerWaalsContact CA-O 3.24Å; V50-Y68 WeakPolarHBondContact CA-O 3.44Å; V50-Y68 VanDerWaalsContact CG1-O 3.22Å; V50-Y68 WeakPolarHBondContact CG1-O 3.2Å; V50-Y69 HydrophobicContact CG2-CD2 3.73Å; V50-Y69 HydrophobicContact CG2-CE2 4.27Å; V50-T112 CarbonylContact O-C 3.53Å; V50-T112 WeakPolarHBondContact O-CA 3.28Å; V50-S113 WeakPolarHBondContact CB-OG 3.13Å; V50-S113 PolarHBondContact N-O 3.04Å; V50-S113 PolarHBondContact O-N 2.91Å
51	M	98.4	Very high	96.7	Very high	0 Å²	0	51 Å²	51	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	138.9	172.2	-65	-173.1	75.2	0	0	110.3	C42 Q44 H67 Y68 T90 C93 A111 T112	C42-M51 HydrophobicContact CB-CE 4.04Å; C42-M51 WeakPolarHBondContact SG-CE 3.32Å; Q44-M51 HydrophobicContact CG-CE 4.15Å; Q44-M51 HydrophobicContact CG-SD 4.12Å; M51-H67 CarbonylContact O-C 3.57Å; M51-H67 WeakPolarHBondContact O-CA 3.34Å; M51-H67 WeakPolarHBondContact O-CB 3.49Å; M51-Y68 PolarHBondContact N-O 3.39Å; M51-Y68 VanDerWaalsContact N-O 3.13Å; M51-Y68 PolarHBondContact O-N 2.86Å; M51-T90 VanDerWaalsContact SD-O 3.35Å; M51-C93 HydrophobicContact CB-CB 4.02Å; M51-C93 HydrophobicContact CE-CB 3.51Å; M51-C93 HydrophobicContact CG-CB 4.44Å; M51-C93 HydrophobicContact SD-CB 3.57Å; M51-C93 VanDerWaalsContact SD-CB 3.57Å; M51-A111 WeakPolarHBondContact CA-O 3.45Å; M51-T112 HydrophobicContact CE-CG2 3.94Å; M51-T112 HydrophobicContact CG-CG2 3.89Å
52	Y	98.4	Very high	96.7	Very high	52 Å²	52	52.9 Å²	52.9	20%	0.204	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	148.6	-173.9	-52.4	-96.9	0	0	0	110.3	V50 Y54 L64 H67 C110 A111 S113	V50-Y52 HydrophobicContact CB-CE2 3.96Å; V50-Y52 HydrophobicContact CG1-CD2 4.33Å; V50-Y52 HydrophobicContact CG1-CE1 3.87Å; V50-Y52 HydrophobicContact CG1-CE2 3.57Å; V50-Y52 WeakPolarHBondContact CG1-OH 3.43Å; Y52-Y54 VanDerWaalsContact CB-CE2 3.41Å; Y52-Y54 HydrophobicContact CG-CE2 4.16Å; Y52-L64 HydrophobicContact CD1-CD1 3.97Å; Y52-H67 HydrophobicContact CD1-CB 3.42Å; Y52-H67 VanDerWaalsContact CD1-CB 3.42Å; Y52-H67 HydrophobicContact CE1-CB 3.8Å; Y52-H67 HydrophobicContact CG-CB 4.12Å; Y52-C110 WeakPolarHBondContact O-CA 3.37Å; Y52-A111 HydrophobicContact CD2-CB 4.29Å; Y52-A111 PolarHBondContact N-O 3.44Å; Y52-A111 PolarHBondContact O-N 3.5Å; Y52-A111 VanDerWaalsContact O-N 3.11Å; Y52-S113 VanDerWaalsContact CE2-OG 3.31Å; Y52-S113 WeakPolarHBondContact CE2-OG 3.34Å; Y52-S113 PolarHBondContact OH-OG 2.76Å; Y52-S113 VanDerWaalsContact OH-OG 3.08Å
53	W	98.7	Very high	96.7	Very high	1 Å²	1	58.2 Å²	58.2	0%	0.004	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	132.3	164.5	-83.6	96.5	0	0	0	110.5	Q25 L40 C42 L65 F66 L95 C110	Q25-W53 HydrophobicContact CG-CH2 4.48Å; Q25-W53 VanDerWaalsContact NE2-CZ3 3.32Å; L40-W53 HydrophobicContact CB-CH2 3.65Å; L40-W53 HydrophobicContact CB-CZ2 4.21Å; L40-W53 HydrophobicContact CB-CZ3 4.2Å; L40-W53 HydrophobicContact CD1-CZ3 4.25Å; C42-W53 HydrophobicContact CB-CH2 4.2Å; C42-W53 HydrophobicContact CB-CZ2 3.52Å; W53-L65 HydrophobicContact CB-CD1 4.47Å; W53-L65 WeakPolarHBondContact O-CB 3.46Å; W53-L65 PolarHBondContact O-N 2.86Å; W53-F66 HydrophobicContact CB-CD1 4.5Å; W53-F66 HydrophobicContact CB-CE1 3.94Å; W53-F66 HydrophobicContact CB-CE2 4.01Å; W53-F66 HydrophobicContact CB-CZ 3.64Å; W53-F66 AromaticContact CD1-CE2 3.41Å; W53-F66 VanDerWaalsContact CD1-CE2 3.41Å; W53-F66 AromaticContact CD1-CZ 3.26Å; W53-F66 HydrophobicContact CG-CE1 4.33Å; W53-F66 HydrophobicContact CG-CE2 4.04Å; W53-F66 AromaticContact CG-CZ 3.63Å; W53-F66 HydrophobicContact CG-CZ 3.63Å; W53-F66 PolarHBondContact N-O 2.82Å; W53-L95 HydrophobicContact CD2-CB 3.8Å; W53-L95 HydrophobicContact CD2-CD2 4.06Å; W53-L95 HydrophobicContact CE3-CB 4.25Å; W53-L95 HydrophobicContact CE3-CD2 3.82Å; W53-L95 HydrophobicContact CG-CB 4.09Å; W53-L95 HydrophobicContact CG-CD2 4.42Å; W53-L95 HydrophobicContact CZ2-CB 4.15Å; W53-L95 HydrophobicContact CZ3-CD2 4.32Å; W53-C110 HydrophobicContact CD2-CB 4.33Å; W53-C110 HydrophobicContact CE3-CB 4.29Å; W53-C110 HydrophobicContact CH2-CB 4.22Å; W53-C110 HydrophobicContact CZ2-CB 4.26Å; W53-C110 HydrophobicContact CZ3-CB 4.23Å
54	Y	98.4	Very high	96.7	Very high	65 Å²	65	58.8 Å²	58.8	26%	0.255	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	148.3	177.2	-59.7	-97.5	0	0	0	110.6	Y52 P62 K63 L64 Y108 L109 A111	Y52-Y54 VanDerWaalsContact CB-CE2 3.41Å; Y52-Y54 HydrophobicContact CG-CE2 4.16Å; Y54-P62 HydrophobicContact CD1-CB 4.37Å; Y54-K63 CarbonylContact C-O 3.53Å; Y54-K63 WeakPolarHBondContact CA-O 2.88Å; Y54-K63 WeakPolarHBondContact CB-O 3.36Å; Y54-L64 HydrophobicContact CD1-CB 4.04Å; Y54-L64 HydrophobicContact CD1-CD1 4.17Å; Y54-L64 HydrophobicContact CE1-CB 3.85Å; Y54-L64 HydrophobicContact CE1-CD1 3.76Å; Y54-L64 HydrophobicContact CE1-CG 4.37Å; Y54-L64 HydrophobicContact CE2-CD1 4.32Å; Y54-Y108 WeakPolarHBondContact O-CA 3.31Å; Y54-L109 PolarHBondContact N-O 2.8Å; Y54-L109 PolarHBondContact O-N 3.43Å; Y54-A111 HydrophobicContact CE2-CB 4.02Å
55	Q	98.1	Very high	96.9	Very high	19 Å²	19	58.8 Å²	58.8	9%	0.089	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	130.2	166.3	-173	-174.8	61.5	0	0	109.5	K63 L65 A106 Y108	Q55-K63 PolarHBondContact N-O 3.04Å; Q55-K63 PolarHBondContact O-N 2.86Å; Q55-L65 HydrophobicContact CB-CD1 4.09Å; Q55-L65 HydrophobicContact CB-CD2 3.87Å; Q55-L65 HydrophobicContact CB-CG 4.07Å; Q55-A106 HydrophobicContact CG-CB 3.5Å; Q55-A106 VanDerWaalsContact CG-CB 3.5Å; Q55-Y108 HydrophobicContact CB-CD1 4.28Å; Q55-Y108 HydrophobicContact CB-CE1 3.99Å; Q55-Y108 HydrophobicContact CG-CD1 4.33Å; Q55-Y108 HydrophobicContact CG-CE1 3.73Å; Q55-Y108 PolarHBondContact NE2-OH 3.47Å
56	Q	98	Very high	97	Very high	53 Å²	53	54.2 Å²	54.2	25%	0.248	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	105.9	173.3	-173.1	177.9	27.5	0	0	109.8	Q60 P62 M107	Q56-Q60 VanDerWaalsContact CG-O 3.29Å; Q56-Q60 WeakPolarHBondContact CG-O 3.3Å; Q56-Q60 PolarHBondContact NE2-O 2.78Å; Q56-P62 HydrophobicContact CB-CB 4.33Å; Q56-P62 HydrophobicContact CB-CG 4.3Å; Q56-P62 HydrophobicContact CG-CG 4.2Å; Q56-M107 HydrophobicContact CB-CB 4.26Å; Q56-M107 PolarHBondContact N-O 2.83Å; Q56-M107 PolarHBondContact O-N 3.39Å
57	K	96.6	Very high	97.2	Very high	74 Å²	74	54.1 Å²	54.1	32%	0.322	30%	0.297	S	S	.	.			trans	-77.2	159.9	171.7	-62.9	-170.8	-176.7	-169.1	0	110.2	S59 Q60 G103 A106	K57-S59 PolarHBondContact O-N 3.22Å; K57-Q60 HydrophobicContact CB-CB 4.47Å; K57-Q60 HydrophobicContact CB-CG 4.45Å; K57-Q60 PolarHBondContact O-N 2.85Å; K57-G103 WeakPolarHBondContact CE-O 2.99Å; K57-G103 PolarHBondContact NZ-O 3.47Å; K57-A106 HydrophobicContact CG-CB 4.14Å
58	S	94.8	Very high	97.5	Very high	108 Å²	108	49.6 Å²	49.6	76%	0.755	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	128.4	-179	-172.8	0	0	0	0	111.4	Q60	S58-Q60 PolarHBondContact O-N 2.98Å; S58-Q60 VanDerWaalsContact O-N 3.09Å
59	S	94	Very high	97.5	Very high	129 Å²	129	54 Å²	54	90%	0.902	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	16.2	177.3	-48.9	0	0	0	0	115.5	K57	K57-S59 PolarHBondContact O-N 3.22Å
60	Q	96	Very high	97.4	Very high	98 Å²	98	54.4 Å²	54.4	46%	0.458	29%	0.29	S	S	.	.	S	Bend	trans	-108.2	158.5	174.7	-64	-179.6	39.7	0	0	110.5	Q56 K57 S58	Q56-Q60 VanDerWaalsContact CG-O 3.29Å; Q56-Q60 WeakPolarHBondContact CG-O 3.3Å; Q56-Q60 PolarHBondContact NE2-O 2.78Å; K57-Q60 HydrophobicContact CB-CB 4.47Å; K57-Q60 HydrophobicContact CB-CG 4.45Å; K57-Q60 PolarHBondContact O-N 2.85Å; S58-Q60 PolarHBondContact O-N 2.98Å; S58-Q60 VanDerWaalsContact O-N 3.09Å
61	A	97.3	Very high	97.3	Very high	75 Å²	75	62.9 Å²	62.9	62%	0.62	33%	0.326	S	S	*	.			trans	-67.8	150.6	168.5	0	0	0	0	0	110.3	K63	A61-K63 PolarHBondContact O-N 2.87Å
62	P	97.9	Very high	97.2	Very high	62 Å²	62	67.9 Å²	67.9	40%	0.403	35%	0.353	S	S	.	.			trans	-57.9	131.9	170.3	-21.4	32.7	0	0	0	111	Y54 Q56 L109	Y54-P62 HydrophobicContact CD1-CB 4.37Å; Q56-P62 HydrophobicContact CB-CB 4.33Å; Q56-P62 HydrophobicContact CB-CG 4.3Å; Q56-P62 HydrophobicContact CG-CG 4.2Å; P62-L109 HydrophobicContact CB-CD1 4.38Å; P62-L109 HydrophobicContact CG-CD1 4.12Å
63	K	97.8	Very high	97.2	Very high	113 Å²	113	69.7 Å²	69.7	49%	0.491	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	136.7	172.9	-68.4	-171.2	173.4	-166	0	110	Y54 Q55 A61	Y54-K63 CarbonylContact C-O 3.53Å; Y54-K63 WeakPolarHBondContact CA-O 2.88Å; Y54-K63 WeakPolarHBondContact CB-O 3.36Å; Q55-K63 PolarHBondContact N-O 3.04Å; Q55-K63 PolarHBondContact O-N 2.86Å; A61-K63 PolarHBondContact O-N 2.87Å
64	L	98.2	Very high	97.2	Very high	42 Å²	42	73.4 Å²	73.4	22%	0.22	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	136.1	174.7	-176.9	61	0	0	0	108.9	Y52 Y54 F66 E76	Y52-L64 HydrophobicContact CD1-CD1 3.97Å; Y54-L64 HydrophobicContact CD1-CB 4.04Å; Y54-L64 HydrophobicContact CD1-CD1 4.17Å; Y54-L64 HydrophobicContact CE1-CB 3.85Å; Y54-L64 HydrophobicContact CE1-CD1 3.76Å; Y54-L64 HydrophobicContact CE1-CG 4.37Å; Y54-L64 HydrophobicContact CE2-CD1 4.32Å; L64-F66 WeakPolarHBondContact CD1-O 3.42Å; L64-E76 HydrophobicContact CB-CG 4.05Å; L64-E76 HydrophobicContact CD2-CG 4.32Å; L64-E76 WeakPolarHBondContact CD2-OE1 3.36Å; L64-E76 HydrophobicContact CG-CG 4.04Å; L64-E76 VanDerWaalsContact O-CG 3.31Å; L64-E76 WeakPolarHBondContact O-CG 3.29Å
65	L	98.4	Very high	97.1	Very high	7 Å²	7	74.6 Å²	74.6	4%	0.037	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-56.2	169.6	-61.5	171.7	0	0	0	108.8	W53 Q55 N75 E76 T79 F83 L95 Y108	W53-L65 HydrophobicContact CB-CD1 4.47Å; W53-L65 WeakPolarHBondContact O-CB 3.46Å; W53-L65 PolarHBondContact O-N 2.86Å; Q55-L65 HydrophobicContact CB-CD1 4.09Å; Q55-L65 HydrophobicContact CB-CD2 3.87Å; Q55-L65 HydrophobicContact CB-CG 4.07Å; L65-N75 WeakPolarHBondContact O-CA 3.4Å; L65-E76 PolarHBondContact O-N 2.97Å; L65-T79 HydrophobicContact CB-CG2 4.4Å; L65-T79 HydrophobicContact CD2-CG2 4.45Å; L65-T79 PolarHBondContact O-OG1 2.85Å; L65-F83 HydrophobicContact CD1-CD1 3.9Å; L65-F83 HydrophobicContact CD1-CE1 3.72Å; L65-F83 HydrophobicContact CD2-CD1 4.41Å; L65-F83 HydrophobicContact CD2-CE1 4.21Å; L65-L95 HydrophobicContact CD1-CD2 4.04Å; L65-Y108 HydrophobicContact CD1-CD1 4.22Å; L65-Y108 HydrophobicContact CD1-CE1 4.22Å
66	F	98.6	Very high	97.1	Very high	4 Å²	4	77.3 Å²	77.3	2%	0.018	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	168.2	-179.9	61.7	-98.4	0	0	0	110.4	W53 L64 Y68 F73 N74 N75 S85 L95	W53-F66 HydrophobicContact CB-CD1 4.5Å; W53-F66 HydrophobicContact CB-CE1 3.94Å; W53-F66 HydrophobicContact CB-CE2 4.01Å; W53-F66 HydrophobicContact CB-CZ 3.64Å; W53-F66 AromaticContact CD1-CE2 3.41Å; W53-F66 VanDerWaalsContact CD1-CE2 3.41Å; W53-F66 AromaticContact CD1-CZ 3.26Å; W53-F66 HydrophobicContact CG-CE1 4.33Å; W53-F66 HydrophobicContact CG-CE2 4.04Å; W53-F66 AromaticContact CG-CZ 3.63Å; W53-F66 HydrophobicContact CG-CZ 3.63Å; W53-F66 PolarHBondContact N-O 2.82Å; L64-F66 WeakPolarHBondContact CD1-O 3.42Å; F66-Y68 HydrophobicContact CD2-CD2 4.33Å; F66-Y68 HydrophobicContact CD2-CE2 4.24Å; F66-Y68 HydrophobicContact CE2-CD2 4.39Å; F66-Y68 HydrophobicContact CE2-CE2 4.18Å; F66-F73 HydrophobicContact CB-CD2 4.48Å; F66-F73 HydrophobicContact CB-CE2 3.61Å; F66-F73 HydrophobicContact CB-CZ 4.13Å; F66-F73 HydrophobicContact CD1-CE2 4.44Å; F66-F73 HydrophobicContact CD2-CD2 4.41Å; F66-F73 AromaticContact CD2-CE2 3.81Å; F66-F73 HydrophobicContact CD2-CE2 3.81Å; F66-F73 AromaticContact CG-CE2 3.71Å; F66-F73 HydrophobicContact CG-CE2 3.71Å; F66-F73 HydrophobicContact CG-CZ 4.42Å; F66-N74 CarbonylContact C-O 3.56Å; F66-N74 WeakPolarHBondContact CA-O 3.42Å; F66-N74 VanDerWaalsContact CB-O 3.22Å; F66-N74 WeakPolarHBondContact CB-O 3.41Å; F66-N75 HydrophobicContact CB-CB 3.83Å; F66-S85 VanDerWaalsContact CE2-CB 3.41Å; F66-S85 WeakPolarHBondContact CE2-OG 3.32Å; F66-S85 WeakPolarHBondContact CZ-OG 3.38Å; F66-L95 HydrophobicContact CE1-CD1 3.93Å; F66-L95 HydrophobicContact CZ-CB 4.26Å; F66-L95 HydrophobicContact CZ-CD1 4.47Å
67	H	98.4	Very high	97	Very high	41 Å²	41	79.9 Å²	79.9	19%	0.19	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	161.1	169	68.4	-86.7	0	0	0	111.5	M51 Y52 N74	M51-H67 CarbonylContact O-C 3.57Å; M51-H67 WeakPolarHBondContact O-CA 3.34Å; M51-H67 WeakPolarHBondContact O-CB 3.49Å; Y52-H67 HydrophobicContact CD1-CB 3.42Å; Y52-H67 VanDerWaalsContact CD1-CB 3.42Å; Y52-H67 HydrophobicContact CE1-CB 3.8Å; Y52-H67 HydrophobicContact CG-CB 4.12Å; H67-N74 WeakPolarHBondContact CE1-CB 3.48Å; H67-N74 PolarHBondContact N-O 2.84Å; H67-N74 PolarHBondContact NE2-ND2 2.01Å; H67-N74 PolarHBondContact O-N 3.47Å
68	Y	98.4	Very high	96.9	Very high	24 Å²	24	81.4 Å²	81.4	9%	0.094	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	134.8	164.3	-77	-96.6	0	0	0	109.9	V50 M51 F66 D72 F73 S85 R87	V50-Y68 VanDerWaalsContact CA-O 3.24Å; V50-Y68 WeakPolarHBondContact CA-O 3.44Å; V50-Y68 VanDerWaalsContact CG1-O 3.22Å; V50-Y68 WeakPolarHBondContact CG1-O 3.2Å; M51-Y68 PolarHBondContact N-O 3.39Å; M51-Y68 VanDerWaalsContact N-O 3.13Å; M51-Y68 PolarHBondContact O-N 2.86Å; F66-Y68 HydrophobicContact CD2-CD2 4.33Å; F66-Y68 HydrophobicContact CD2-CE2 4.24Å; F66-Y68 HydrophobicContact CE2-CD2 4.39Å; F66-Y68 HydrophobicContact CE2-CE2 4.18Å; Y68-D72 CarbonylContact C-O 3.48Å; Y68-D72 WeakPolarHBondContact CA-O 3.31Å; Y68-F73 HydrophobicContact CD1-CB 4.03Å; Y68-F73 HydrophobicContact CD1-CD2 4.47Å; Y68-F73 HydrophobicContact CD2-CD2 4.14Å; Y68-F73 HydrophobicContact CE1-CB 3.6Å; Y68-F73 AromaticContact CE1-CD2 3.95Å; Y68-F73 HydrophobicContact CE1-CD2 3.95Å; Y68-F73 HydrophobicContact CE1-CG 4.17Å; Y68-F73 AromaticContact CE2-CD2 3.55Å; Y68-F73 HydrophobicContact CE2-CD2 3.55Å; Y68-F73 HydrophobicContact CE2-CE2 4.12Å; Y68-F73 AromaticContact CZ-CD2 3.44Å; Y68-F73 VanDerWaalsContact CZ-CD2 3.44Å; Y68-S85 VanDerWaalsContact CE2-OG 3.3Å; Y68-S85 WeakPolarHBondContact CE2-OG 3.36Å; Y68-S85 PolarHBondContact OH-O 2.9Å; Y68-R87 VanDerWaalsContact CB-NH1 3.29Å; Y68-R87 HydrophobicContact CD1-CB 3.81Å; Y68-R87 HydrophobicContact CD2-CB 3.82Å; Y68-R87 HydrophobicContact CE1-CB 3.86Å; Y68-R87 HydrophobicContact CE2-CB 3.88Å; Y68-R87 HydrophobicContact CG-CB 3.78Å; Y68-R87 HydrophobicContact CG-CG 4.3Å; Y68-R87 PolarHBondContact O-NH1 2.79Å; Y68-R87 VanDerWaalsContact O-NH1 3.13Å
69	Y	97.2	Very high	96.9	Very high	111 Å²	111	77.2 Å²	77.2	44%	0.435	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	111.9	157.6	-178.5	-83.6	0	0	0	107.5	V50 K71 D72	V50-Y69 HydrophobicContact CG2-CD2 3.73Å; V50-Y69 HydrophobicContact CG2-CE2 4.27Å; Y69-K71 PolarHBondContact O-N 3.24Å; Y69-D72 PolarHBondContact N-O 3.25Å; Y69-D72 WeakPolarHBondContact O-CB 3.22Å; Y69-D72 PolarHBondContact O-N 3.3Å
70	D	94.9	Very high	96.9	Very high	56 Å²	56	73 Å²	73	30%	0.299	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	-103.5	-167.6	-68	-39.3	0	0	0	112.1	N49 R87	N49-D70 WeakPolarHBondContact CB-OD1 3.22Å; N49-D70 PolarHBondContact O-N 3.09Å; D70-R87 WeakPolarHBondContact O-CD 3.46Å; D70-R87 PolarHBondContact O-NH1 3.04Å
71	K	94.5	Very high	96.8	Very high	187 Å²	187	75.4 Å²	75.4	81%	0.813	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-13.2	177.2	-63.4	-179.5	-178	175.8	0	113.7	Y69 F73	Y69-K71 PolarHBondContact O-N 3.24Å; K71-F73 PolarHBondContact O-N 3.44Å
72	D	97.3	Very high	96.7	Very high	104 Å²	104	73.6 Å²	73.6	56%	0.556	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	121.7	-176.6	-59.9	-37.7	0	0	0	109.6	Y68 Y69	Y68-D72 CarbonylContact C-O 3.48Å; Y68-D72 WeakPolarHBondContact CA-O 3.31Å; Y69-D72 PolarHBondContact N-O 3.25Å; Y69-D72 WeakPolarHBondContact O-CB 3.22Å; Y69-D72 PolarHBondContact O-N 3.3Å
73	F	97.8	Very high	96.7	Very high	91 Å²	91	71.5 Å²	71.5	40%	0.399	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	132.2	-177.2	173.3	-111.9	0	0	0	110.8	F66 Y68 K71 N75	F66-F73 HydrophobicContact CB-CD2 4.48Å; F66-F73 HydrophobicContact CB-CE2 3.61Å; F66-F73 HydrophobicContact CB-CZ 4.13Å; F66-F73 HydrophobicContact CD1-CE2 4.44Å; F66-F73 HydrophobicContact CD2-CD2 4.41Å; F66-F73 AromaticContact CD2-CE2 3.81Å; F66-F73 HydrophobicContact CD2-CE2 3.81Å; F66-F73 AromaticContact CG-CE2 3.71Å; F66-F73 HydrophobicContact CG-CE2 3.71Å; F66-F73 HydrophobicContact CG-CZ 4.42Å; Y68-F73 HydrophobicContact CD1-CB 4.03Å; Y68-F73 HydrophobicContact CD1-CD2 4.47Å; Y68-F73 HydrophobicContact CD2-CD2 4.14Å; Y68-F73 HydrophobicContact CE1-CB 3.6Å; Y68-F73 AromaticContact CE1-CD2 3.95Å; Y68-F73 HydrophobicContact CE1-CD2 3.95Å; Y68-F73 HydrophobicContact CE1-CG 4.17Å; Y68-F73 AromaticContact CE2-CD2 3.55Å; Y68-F73 HydrophobicContact CE2-CD2 3.55Å; Y68-F73 HydrophobicContact CE2-CE2 4.12Å; Y68-F73 AromaticContact CZ-CD2 3.44Å; Y68-F73 VanDerWaalsContact CZ-CD2 3.44Å; K71-F73 PolarHBondContact O-N 3.44Å; F73-N75 HydrophobicContact CE1-CB 4.02Å; F73-N75 HydrophobicContact CE2-CB 4.41Å; F73-N75 HydrophobicContact CZ-CB 3.68Å
74	N	97.9	Very high	96.7	Very high	79 Å²	79	70.2 Å²	70.2	42%	0.422	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	128.3	171.7	-63.7	-64.9	0	0	0	109.6	F66 H67	F66-N74 CarbonylContact C-O 3.56Å; F66-N74 WeakPolarHBondContact CA-O 3.42Å; F66-N74 VanDerWaalsContact CB-O 3.22Å; F66-N74 WeakPolarHBondContact CB-O 3.41Å; H67-N74 WeakPolarHBondContact CE1-CB 3.48Å; H67-N74 PolarHBondContact N-O 2.84Å; H67-N74 PolarHBondContact NE2-ND2 2.01Å; H67-N74 PolarHBondContact O-N 3.47Å
75	N	97.7	Very high	96.7	Very high	89 Å²	89	69.1 Å²	69.1	48%	0.476	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	152	174.1	66.5	-56.1	0	0	0	112.1	L65 F66 F73	L65-N75 WeakPolarHBondContact O-CA 3.4Å; F66-N75 HydrophobicContact CB-CB 3.83Å; F73-N75 HydrophobicContact CE1-CB 4.02Å; F73-N75 HydrophobicContact CE2-CB 4.41Å; F73-N75 HydrophobicContact CZ-CB 3.68Å
76	E	97.6	Very high	96.6	Very high	76 Å²	76	75.1 Å²	75.1	36%	0.355	38%	0.381	S	S	.	.			trans	-72	144.6	171.4	-60.9	-54.8	134.9	0	0	110.2	L64 L65 D78 T79	L64-E76 HydrophobicContact CB-CG 4.05Å; L64-E76 HydrophobicContact CD2-CG 4.32Å; L64-E76 WeakPolarHBondContact CD2-OE1 3.36Å; L64-E76 HydrophobicContact CG-CG 4.04Å; L64-E76 VanDerWaalsContact O-CG 3.31Å; L64-E76 WeakPolarHBondContact O-CG 3.29Å; L65-E76 PolarHBondContact O-N 2.97Å; E76-D78 WeakPolarHBondContact CB-OD1 2.92Å; E76-D78 PolarHBondContact O-N 2.86Å; E76-T79 WeakPolarHBondContact O-CB 3.14Å; E76-T79 PolarHBondContact O-N 2.91Å; E76-T79 PolarHBondContact O-OG1 3.13Å
77	A	95.3	Very high	96.6	Very high	108 Å²	108	76.1 Å²	76.1	89%	0.893	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-25.3	-175.6	0	0	0	0	0	113.5	T79	A77-T79 VanDerWaalsContact C-N 3.33Å
78	D	94.2	Very high	96.5	Very high	106 Å²	106	78.4 Å²	78.4	57%	0.567	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	6.5	176.3	65.8	-41.2	0	0	0	113.5	E76 P80	E76-D78 WeakPolarHBondContact CB-OD1 2.92Å; E76-D78 PolarHBondContact O-N 2.86Å; D78-P80 WeakPolarHBondContact O-CD 3.17Å
79	T	95.3	Very high	96.3	Very high	19 Å²	19	80.8 Å²	80.8	12%	0.117	42%	0.418	C	S	.	.	S	Bend	trans	-65.8	125.3	174.5	-58	0	0	0	0	110.4	L65 E76 A77 F83	L65-T79 HydrophobicContact CB-CG2 4.4Å; L65-T79 HydrophobicContact CD2-CG2 4.45Å; L65-T79 PolarHBondContact O-OG1 2.85Å; E76-T79 WeakPolarHBondContact O-CB 3.14Å; E76-T79 PolarHBondContact O-N 2.91Å; E76-T79 PolarHBondContact O-OG1 3.13Å; A77-T79 VanDerWaalsContact C-N 3.33Å; T79-F83 HydrophobicContact CG2-CB 4.2Å
80	P	94.5	Very high	96.3	Very high	41 Å²	41	77.4 Å²	77.4	27%	0.266	41%	0.409	S	S	.	.			trans	-61.2	138.6	-178.5	-26.2	35.9	0	0	0	113.8	D78 N82 F83	D78-P80 WeakPolarHBondContact O-CD 3.17Å; P80-N82 WeakPolarHBondContact CB-OD1 3.33Å; P80-N82 PolarHBondContact O-N 2.92Å; P80-N82 VanDerWaalsContact O-N 3.11Å; P80-F83 HydrophobicContact CB-CD2 3.79Å; P80-F83 HydrophobicContact CB-CE2 3.99Å; P80-F83 HydrophobicContact CB-CG 4.5Å; P80-F83 HydrophobicContact CG-CD2 4.22Å; P80-F83 HydrophobicContact CG-CE2 4.06Å; P80-F83 HydrophobicContact CG-CZ 4.48Å; P80-F83 WeakPolarHBondContact O-CB 3.35Å; P80-F83 PolarHBondContact O-N 2.82Å
81	D	93.7	Very high	96.3	Very high	149 Å²	149	76.9 Å²	76.9	80%	0.797	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-25.7	-179.5	-70.9	-27.8	0	0	0	113.8	F83 R98	D81-F83 PolarHBondContact O-N 2.88Å; D81-R98 PolarHBondContact O-NH2 3.34Å
82	N	95.7	Very high	96.5	Very high	37 Å²	37	72.2 Å²	72.2	20%	0.198	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-8	177.2	62.9	-40.7	0	0	0	112.9	P80 R98 S99 D104	P80-N82 WeakPolarHBondContact CB-OD1 3.33Å; P80-N82 PolarHBondContact O-N 2.92Å; P80-N82 VanDerWaalsContact O-N 3.11Å; N82-R98 WeakPolarHBondContact O-CB 3.42Å; N82-R98 PolarHBondContact O-N 2.88Å; N82-S99 PolarHBondContact ND2-O 2.81Å; N82-S99 VanDerWaalsContact ND2-O 3.16Å; N82-D104 PolarHBondContact ND2-OD2 3.45Å
83	F	97.7	Very high	96.5	Very high	17 Å²	17	67.3 Å²	67.3	8%	0.075	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	140.6	178.8	-72.1	-139.9	0	0	0	109.9	L65 T79 P80 D81 L95 D96 I97 D104 Y108	L65-F83 HydrophobicContact CD1-CD1 3.9Å; L65-F83 HydrophobicContact CD1-CE1 3.72Å; L65-F83 HydrophobicContact CD2-CD1 4.41Å; L65-F83 HydrophobicContact CD2-CE1 4.21Å; T79-F83 HydrophobicContact CG2-CB 4.2Å; P80-F83 HydrophobicContact CB-CD2 3.79Å; P80-F83 HydrophobicContact CB-CE2 3.99Å; P80-F83 HydrophobicContact CB-CG 4.5Å; P80-F83 HydrophobicContact CG-CD2 4.22Å; P80-F83 HydrophobicContact CG-CE2 4.06Å; P80-F83 HydrophobicContact CG-CZ 4.48Å; P80-F83 WeakPolarHBondContact O-CB 3.35Å; P80-F83 PolarHBondContact O-N 2.82Å; D81-F83 PolarHBondContact O-N 2.88Å; F83-L95 HydrophobicContact CB-CD1 4.34Å; F83-L95 HydrophobicContact CD1-CD1 3.51Å; F83-L95 HydrophobicContact CE1-CD1 4.14Å; F83-L95 HydrophobicContact CG-CD1 4.21Å; F83-D96 CarbonylContact C-O 3.52Å; F83-D96 WeakPolarHBondContact CA-O 3.22Å; F83-I97 HydrophobicContact CD2-CG1 4.48Å; F83-I97 HydrophobicContact CD2-CG2 4.19Å; F83-I97 HydrophobicContact CE1-CD1 4.43Å; F83-I97 HydrophobicContact CE1-CG1 4.36Å; F83-I97 HydrophobicContact CE2-CG1 4.3Å; F83-I97 HydrophobicContact CE2-CG2 3.91Å; F83-I97 HydrophobicContact CZ-CD1 4.15Å; F83-I97 HydrophobicContact CZ-CG1 4.23Å; F83-D104 WeakPolarHBondContact CE2-OD1 3.45Å; F83-Y108 AromaticContact CE1-CE1 3.74Å; F83-Y108 HydrophobicContact CE1-CE1 3.74Å; F83-Y108 HydrophobicContact CZ-CE1 4.06Å; F83-Y108 WeakPolarHBondContact CZ-OH 3.17Å
84	Q	97.2	Very high	96.6	Very high	87 Å²	87	65.2 Å²	65.2	41%	0.407	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	156.7	171.7	-67	-171	-5.3	0	0	109.2	D96 R98	Q84-D96 HydrophobicContact CB-CB 4.2Å; Q84-D96 PolarHBondContact N-O 2.82Å; Q84-D96 PolarHBondContact O-N 3.22Å; Q84-R98 HydrophobicContact CG-CG 4.36Å; Q84-R98 VanDerWaalsContact NE2-CD 3.27Å; Q84-R98 VanDerWaalsContact NE2-NE 3.15Å
85	S	97.5	Very high	96.6	Very high	19 Å²	19	61.5 Å²	61.5	13%	0.133	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	152.3	175.3	-166.8	0	0	0	0	112.4	F66 Y68 F94	F66-S85 VanDerWaalsContact CE2-CB 3.41Å; F66-S85 WeakPolarHBondContact CE2-OG 3.32Å; F66-S85 WeakPolarHBondContact CZ-OG 3.38Å; Y68-S85 VanDerWaalsContact CE2-OG 3.3Å; Y68-S85 WeakPolarHBondContact CE2-OG 3.36Å; Y68-S85 PolarHBondContact OH-O 2.9Å; S85-F94 WeakPolarHBondContact CA-O 3.42Å; S85-F94 PolarHBondContact OG-O 2.78Å
86	R	97.5	Very high	96.6	Very high	133 Å²	133	57.9 Å²	57.9	50%	0.502	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	132.4	175.7	-63.7	178.9	-72.4	146.8	-0	109.2	F94 D96	R86-F94 HydrophobicContact CB-CB 4.38Å; R86-F94 PolarHBondContact N-O 2.86Å; R86-F94 PolarHBondContact O-N 3.26Å; R86-D96 IonicContact CZ-OD2 3.21Å; R86-D96 IonicContact NE-OD2 2.76Å; R86-D96 PolarHBondContact NE-OD2 2.86Å; R86-D96 IonicContact NH2-OD1 3.11Å; R86-D96 PolarHBondContact NH2-OD1 3.23Å; R86-D96 VanDerWaalsContact NH2-OD1 3.11Å; R86-D96 IonicContact NH2-OD2 2.82Å; R86-D96 PolarHBondContact NH2-OD2 2.91Å
87	R	97.6	Very high	96.6	Very high	25 Å²	25	54.6 Å²	54.6	9%	0.094	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	94	171.9	-175.8	169.9	-172.8	-165	8.7	109.9	H48 N49 Y68 D70 N89 T90 F92	H48-R87 PolarHBondContact O-NH2 2.87Å; N49-R87 PolarHBondContact O-NH1 2.96Å; N49-R87 PolarHBondContact O-NH2 3.13Å; Y68-R87 VanDerWaalsContact CB-NH1 3.29Å; Y68-R87 HydrophobicContact CD1-CB 3.81Å; Y68-R87 HydrophobicContact CD2-CB 3.82Å; Y68-R87 HydrophobicContact CE1-CB 3.86Å; Y68-R87 HydrophobicContact CE2-CB 3.88Å; Y68-R87 HydrophobicContact CG-CB 3.78Å; Y68-R87 HydrophobicContact CG-CG 4.3Å; Y68-R87 PolarHBondContact O-NH1 2.79Å; Y68-R87 VanDerWaalsContact O-NH1 3.13Å; D70-R87 WeakPolarHBondContact O-CD 3.46Å; D70-R87 PolarHBondContact O-NH1 3.04Å; R87-N89 VanDerWaalsContact C-N 3.31Å; R87-N89 WeakPolarHBondContact CG-O 2.95Å; R87-N89 PolarHBondContact NE-O 2.98Å; R87-N89 PolarHBondContact O-N 2.93Å; R87-T90 PolarHBondContact NH2-O 3.13Å; R87-F92 WeakPolarHBondContact CG-O 3.39Å
88	P	96.3	Very high	96.8	Very high	89 Å²	89	55.4 Å²	55.4	58%	0.578	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	-27.8	-178.6	25.6	-34.2	0	0	0	113.4	F92 F94	P88-F92 WeakPolarHBondContact CD-O 3.13Å; P88-F92 HydrophobicContact CG-CB 4.03Å; P88-F94 HydrophobicContact CG-CD2 4.37Å; P88-F94 HydrophobicContact CG-CE2 3.83Å
89	N	95.8	Very high	96.9	Very high	74 Å²	74	53.7 Å²	53.7	40%	0.396	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	-179.2	175.9	58.2	49.8	0	0	0	110.4	R87 S91 F92	R87-N89 VanDerWaalsContact C-N 3.31Å; R87-N89 WeakPolarHBondContact CG-O 2.95Å; R87-N89 PolarHBondContact NE-O 2.98Å; R87-N89 PolarHBondContact O-N 2.93Å; N89-S91 PolarHBondContact O-N 3.01Å; N89-S91 WeakPolarHBondContact OD1-CA 3.49Å; N89-S91 VanDerWaalsContact OD1-CB 3.32Å; N89-S91 WeakPolarHBondContact OD1-CB 3.31Å; N89-S91 PolarHBondContact OD1-N 3.29Å; N89-F92 PolarHBondContact O-N 3.42Å; N89-F92 WeakPolarHBondContact OD1-CD2 3.39Å; N89-F92 PolarHBondContact OD1-N 2.88Å; N89-F92 VanDerWaalsContact OD1-N 3.13Å
90	T	95.3	Very high	96.9	Very high	39 Å²	39	53.3 Å²	53.3	24%	0.239	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-26.5	-178.9	51.8	0	0	0	0	113.1	Q44 M51 R87	Q44-T90 PolarHBondContact NE2-O 2.74Å; M51-T90 VanDerWaalsContact SD-O 3.35Å; R87-T90 PolarHBondContact NH2-O 3.13Å
91	S	96	Very high	96.9	Very high	45 Å²	45	52.9 Å²	52.9	32%	0.315	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-18.7	-176.7	-55.4	0	0	0	0	115	S43 Q44 N89	S43-S91 CarbonylContact C-O 3.48Å; S43-S91 WeakPolarHBondContact CA-O 3.29Å; Q44-S91 PolarHBondContact N-O 2.99Å; N89-S91 PolarHBondContact O-N 3.01Å; N89-S91 WeakPolarHBondContact OD1-CA 3.49Å; N89-S91 VanDerWaalsContact OD1-CB 3.32Å; N89-S91 WeakPolarHBondContact OD1-CB 3.31Å; N89-S91 PolarHBondContact OD1-N 3.29Å
92	F	97.8	Very high	97	Very high	90 Å²	90	52.4 Å²	52.4	40%	0.395	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	134.3	-174.5	-68.3	-85.1	0	0	0	112.7	C42 R87 P88 N89 F94	C42-F92 CarbonylContact O-C 3.56Å; C42-F92 WeakPolarHBondContact O-CA 3.41Å; R87-F92 WeakPolarHBondContact CG-O 3.39Å; P88-F92 WeakPolarHBondContact CD-O 3.13Å; P88-F92 HydrophobicContact CG-CB 4.03Å; N89-F92 PolarHBondContact O-N 3.42Å; N89-F92 WeakPolarHBondContact OD1-CD2 3.39Å; N89-F92 PolarHBondContact OD1-N 2.88Å; N89-F92 VanDerWaalsContact OD1-N 3.13Å; F92-F94 HydrophobicContact CB-CE2 3.93Å; F92-F94 HydrophobicContact CB-CZ 4.5Å
93	C	98.4	Very high	96.9	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	133.8	173.5	-173	0	0	0	0	110.5	C42 M51	C42-C93 PolarHBondContact N-O 2.75Å; C42-C93 PolarHBondContact O-N 3.11Å; M51-C93 HydrophobicContact CB-CB 4.02Å; M51-C93 HydrophobicContact CE-CB 3.51Å; M51-C93 HydrophobicContact CG-CB 4.44Å; M51-C93 HydrophobicContact SD-CB 3.57Å; M51-C93 VanDerWaalsContact SD-CB 3.57Å
94	F	98.7	Very high	96.8	Very high	48 Å²	48	53 Å²	53	21%	0.211	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	142.9	-175.4	-62.9	-94.9	0	0	0	111.1	T39 L40 S85 R86 P88 F92	T39-F94 HydrophobicContact CG2-CD1 3.92Å; L40-F94 WeakPolarHBondContact O-CA 3.18Å; S85-F94 WeakPolarHBondContact CA-O 3.42Å; S85-F94 PolarHBondContact OG-O 2.78Å; R86-F94 HydrophobicContact CB-CB 4.38Å; R86-F94 PolarHBondContact N-O 2.86Å; R86-F94 PolarHBondContact O-N 3.26Å; P88-F94 HydrophobicContact CG-CD2 4.37Å; P88-F94 HydrophobicContact CG-CE2 3.83Å; F92-F94 HydrophobicContact CB-CE2 3.93Å; F92-F94 HydrophobicContact CB-CZ 4.5Å
95	L	98.6	Very high	96.8	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	114.6	168.8	162.9	59.2	0	0	0	107.8	L40 W53 L65 F66 F83 I97 Y108	L40-L95 HydrophobicContact CB-CB 4.36Å; L40-L95 HydrophobicContact CD1-CD2 4.16Å; L40-L95 PolarHBondContact N-O 3.16Å; L40-L95 PolarHBondContact O-N 2.83Å; W53-L95 HydrophobicContact CD2-CB 3.8Å; W53-L95 HydrophobicContact CD2-CD2 4.06Å; W53-L95 HydrophobicContact CE3-CB 4.25Å; W53-L95 HydrophobicContact CE3-CD2 3.82Å; W53-L95 HydrophobicContact CG-CB 4.09Å; W53-L95 HydrophobicContact CG-CD2 4.42Å; W53-L95 HydrophobicContact CZ2-CB 4.15Å; W53-L95 HydrophobicContact CZ3-CD2 4.32Å; L65-L95 HydrophobicContact CD1-CD2 4.04Å; F66-L95 HydrophobicContact CE1-CD1 3.93Å; F66-L95 HydrophobicContact CZ-CB 4.26Å; F66-L95 HydrophobicContact CZ-CD1 4.47Å; F83-L95 HydrophobicContact CB-CD1 4.34Å; F83-L95 HydrophobicContact CD1-CD1 3.51Å; F83-L95 HydrophobicContact CE1-CD1 4.14Å; F83-L95 HydrophobicContact CG-CD1 4.21Å; L95-I97 HydrophobicContact CD1-CG1 4.31Å; L95-I97 HydrophobicContact CG-CG1 4.4Å; L95-Y108 HydrophobicContact CD2-CD1 3.52Å; L95-Y108 HydrophobicContact CD2-CE1 4.03Å; L95-Y108 HydrophobicContact CD2-CG 4.13Å
96	D	98.3	Very high	96.8	Very high	14 Å²	14	53 Å²	53	8%	0.075	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	123.2	178.8	-65.2	-55.4	0	0	0	109.5	V38 T39 F83 Q84 R86	V38-D96 CarbonylContact O-C 3.51Å; V38-D96 WeakPolarHBondContact O-CA 3.36Å; T39-D96 VanDerWaalsContact CB-OD1 3.28Å; T39-D96 WeakPolarHBondContact CB-OD1 3.24Å; T39-D96 WeakPolarHBondContact CG2-OD1 3.42Å; T39-D96 PolarHBondContact OG1-OD1 3.08Å; F83-D96 CarbonylContact C-O 3.52Å; F83-D96 WeakPolarHBondContact CA-O 3.22Å; Q84-D96 HydrophobicContact CB-CB 4.2Å; Q84-D96 PolarHBondContact N-O 2.82Å; Q84-D96 PolarHBondContact O-N 3.22Å; R86-D96 IonicContact CZ-OD2 3.21Å; R86-D96 IonicContact NE-OD2 2.76Å; R86-D96 PolarHBondContact NE-OD2 2.86Å; R86-D96 IonicContact NH2-OD1 3.11Å; R86-D96 PolarHBondContact NH2-OD1 3.23Å; R86-D96 VanDerWaalsContact NH2-OD1 3.11Å; R86-D96 IonicContact NH2-OD2 2.82Å; R86-D96 PolarHBondContact NH2-OD2 2.91Å
97	I	98.1	Very high	96.8	Very high	6 Å²	6	52.2 Å²	52.2	3%	0.031	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	104.3	175.7	-50.5	173.2	0	0	0	107	P37 V38 F83 L95 P100 Y108	P37-I97 CarbonylContact C-O 3.6Å; P37-I97 VanDerWaalsContact CA-O 3.28Å; P37-I97 WeakPolarHBondContact CA-O 3.19Å; V38-I97 PolarHBondContact N-O 3.5Å; V38-I97 PolarHBondContact O-N 3.43Å; F83-I97 HydrophobicContact CD2-CG1 4.48Å; F83-I97 HydrophobicContact CD2-CG2 4.19Å; F83-I97 HydrophobicContact CE1-CD1 4.43Å; F83-I97 HydrophobicContact CE1-CG1 4.36Å; F83-I97 HydrophobicContact CE2-CG1 4.3Å; F83-I97 HydrophobicContact CE2-CG2 3.91Å; F83-I97 HydrophobicContact CZ-CD1 4.15Å; F83-I97 HydrophobicContact CZ-CG1 4.23Å; L95-I97 HydrophobicContact CD1-CG1 4.31Å; L95-I97 HydrophobicContact CG-CG1 4.4Å; I97-P100 HydrophobicContact CB-CG 4.11Å; I97-P100 HydrophobicContact CG2-CB 4.04Å; I97-P100 HydrophobicContact CG2-CG 3.7Å; I97-Y108 HydrophobicContact CD1-CE1 4.31Å; I97-Y108 HydrophobicContact CD1-CE2 4.06Å
98	R	97.7	Very high	96.8	Very high	126 Å²	126	52.5 Å²	52.5	48%	0.475	31%	0.308	S	S	.	.	S	Bend	trans	-69	-41.8	-168.8	-68.5	-173.2	-78.2	169.3	-6.5	113.9	P37 D81 N82 Q84	P37-R98 VanDerWaalsContact CG-O 3.3Å; P37-R98 WeakPolarHBondContact CG-O 3.22Å; D81-R98 PolarHBondContact O-NH2 3.34Å; N82-R98 WeakPolarHBondContact O-CB 3.42Å; N82-R98 PolarHBondContact O-N 2.88Å; Q84-R98 HydrophobicContact CG-CG 4.36Å; Q84-R98 VanDerWaalsContact NE2-CD 3.27Å; Q84-R98 VanDerWaalsContact NE2-NE 3.15Å
99	S	96.5	Very high	96.9	Very high	70 Å²	70	51 Å²	51	49%	0.49	30%	0.295	S	S	.	.	S	Bend	trans	-138.2	82.1	179.8	177	0	0	0	0	108.8	N82 G101	N82-S99 PolarHBondContact ND2-O 2.81Å; N82-S99 VanDerWaalsContact ND2-O 3.16Å; S99-G101 PolarHBondContact O-N 3.2Å
100	P	96.3	Very high	97	Very high	11 Å²	11	48.2 Å²	48.2	7%	0.071	28%	0.281	C	S	.	.			trans	-64.4	131.9	-178.7	-20.8	32.9	0	0	0	111.8	T32 G35 K36 V38 I97 D104	T32-P100 HydrophobicContact CG2-CB 4.15Å; T32-P100 HydrophobicContact CG2-CG 4.17Å; G35-P100 PolarHBondContact N-O 2.82Å; K36-P100 WeakPolarHBondContact O-CD 3.39Å; K36-P100 VanDerWaalsContact O-CG 3.25Å; K36-P100 WeakPolarHBondContact O-CG 3.38Å; V38-P100 HydrophobicContact CB-CG 4.4Å; V38-P100 HydrophobicContact CG2-CG 4.21Å; I97-P100 HydrophobicContact CB-CG 4.11Å; I97-P100 HydrophobicContact CG2-CB 4.04Å; I97-P100 HydrophobicContact CG2-CG 3.7Å; P100-D104 WeakPolarHBondContact CA-OD2 3.36Å
101	G	95.3	Very high	97.1	Very high	32 Å²	32	48 Å²	48	33%	0.33	28%	0.284	S	S	.	.			trans	-113	-177	170	0	0	0	0	0	112.6	S99 G103 D104	S99-G101 PolarHBondContact O-N 3.2Å; G101-G103 PolarHBondContact O-N 2.99Å; G101-D104 PolarHBondContact N-OD2 2.73Å; G101-D104 PolarHBondContact O-N 3.46Å; G101-D104 VanDerWaalsContact O-N 3.1Å
102	L	94.2	Very high	97.2	Very high	139 Å²	139	47 Å²	47	73%	0.728	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-61.6	-32.8	176.5	-172.2	62.7	0	0	0	111.6	F34 D104 A105	F34-L102 HydrophobicContact CE1-CB 4.07Å; F34-L102 HydrophobicContact CZ-CB 4.47Å; L102-D104 PolarHBondContact O-N 3.43Å; L102-A105 WeakPolarHBondContact O-CB 3.48Å; L102-A105 PolarHBondContact O-N 3.43Å
103	G	93.8	Very high	97.1	Very high	44 Å²	44	44.5 Å²	44.5	45%	0.454	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-66.6	-15.5	177.8	0	0	0	0	0	114.7	K57 G101	K57-G103 WeakPolarHBondContact CE-O 2.99Å; K57-G103 PolarHBondContact NZ-O 3.47Å; G101-G103 PolarHBondContact O-N 2.99Å
104	D	96.5	Very high	96.8	Very high	23 Å²	23	55.4 Å²	55.4	12%	0.123	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-95.8	-3.6	179.5	-55.1	-40.2	0	0	0	112.4	N82 F83 P100 G101 L102 A106 Y108	N82-D104 PolarHBondContact ND2-OD2 3.45Å; F83-D104 WeakPolarHBondContact CE2-OD1 3.45Å; P100-D104 WeakPolarHBondContact CA-OD2 3.36Å; G101-D104 PolarHBondContact N-OD2 2.73Å; G101-D104 PolarHBondContact O-N 3.46Å; G101-D104 VanDerWaalsContact O-N 3.1Å; L102-D104 PolarHBondContact O-N 3.43Å; D104-A106 PolarHBondContact O-N 3.32Å; D104-Y108 WeakPolarHBondContact O-CE2 3.33Å; D104-Y108 PolarHBondContact O-OH 3.36Å
105	A	96.5	Very high	96.7	Very high	74 Å²	74	55.8 Å²	55.8	61%	0.612	32%	0.315	S	S	*	.			trans	-69.7	103.8	172.9	0	0	0	0	0	109.6	L102	L102-A105 WeakPolarHBondContact O-CB 3.48Å; L102-A105 PolarHBondContact O-N 3.43Å
106	A	97.3	Very high	96.6	Very high	31 Å²	31	58.7 Å²	58.7	26%	0.256	33%	0.332	S	S	.	.	S	Bend	trans	-158.7	169.1	-174.9	0	0	0	0	0	110.8	Q55 K57 D104 Y108	Q55-A106 HydrophobicContact CG-CB 3.5Å; Q55-A106 VanDerWaalsContact CG-CB 3.5Å; K57-A106 HydrophobicContact CG-CB 4.14Å; D104-A106 PolarHBondContact O-N 3.32Å; A106-Y108 HydrophobicContact CB-CE2 4.17Å; A106-Y108 WeakPolarHBondContact O-CD2 3.39Å
107	M	97.9	Very high	96.5	Very high	117 Å²	117	61.2 Å²	61.2	58%	0.576	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	137.7	161.9	-67.9	177	63.6	0	0	109.1	Q56 L109	Q56-M107 HydrophobicContact CB-CB 4.26Å; Q56-M107 PolarHBondContact N-O 2.83Å; Q56-M107 PolarHBondContact O-N 3.39Å; M107-L109 HydrophobicContact CE-CD2 4.48Å
108	Y	98.2	Very high	96.4	Very high	31 Å²	31	64.4 Å²	64.4	12%	0.122	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	120.4	176.2	-67.6	-81.8	0	0	0	109.3	Q25 L40 Y54 Q55 L65 F83 L95 I97 D104 A106	Q25-Y108 PolarHBondContact NE2-O 3.34Å; L40-Y108 HydrophobicContact CD1-CD1 4.47Å; L40-Y108 HydrophobicContact CD1-CD2 3.72Å; L40-Y108 HydrophobicContact CD1-CG 3.64Å; Y54-Y108 WeakPolarHBondContact O-CA 3.31Å; Q55-Y108 HydrophobicContact CB-CD1 4.28Å; Q55-Y108 HydrophobicContact CB-CE1 3.99Å; Q55-Y108 HydrophobicContact CG-CD1 4.33Å; Q55-Y108 HydrophobicContact CG-CE1 3.73Å; Q55-Y108 PolarHBondContact NE2-OH 3.47Å; L65-Y108 HydrophobicContact CD1-CD1 4.22Å; L65-Y108 HydrophobicContact CD1-CE1 4.22Å; F83-Y108 AromaticContact CE1-CE1 3.74Å; F83-Y108 HydrophobicContact CE1-CE1 3.74Å; F83-Y108 HydrophobicContact CZ-CE1 4.06Å; F83-Y108 WeakPolarHBondContact CZ-OH 3.17Å; L95-Y108 HydrophobicContact CD2-CD1 3.52Å; L95-Y108 HydrophobicContact CD2-CE1 4.03Å; L95-Y108 HydrophobicContact CD2-CG 4.13Å; I97-Y108 HydrophobicContact CD1-CE1 4.31Å; I97-Y108 HydrophobicContact CD1-CE2 4.06Å; D104-Y108 WeakPolarHBondContact O-CE2 3.33Å; D104-Y108 PolarHBondContact O-OH 3.36Å; A106-Y108 HydrophobicContact CB-CE2 4.17Å; A106-Y108 WeakPolarHBondContact O-CD2 3.39Å
109	L	98	Very high	96.3	Very high	58 Å²	58	60.6 Å²	60.6	30%	0.304	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	130.4	-174.2	-57.2	170.9	0	0	0	109.1	Y54 P62 M107	Y54-L109 PolarHBondContact N-O 2.8Å; Y54-L109 PolarHBondContact O-N 3.43Å; P62-L109 HydrophobicContact CB-CD1 4.38Å; P62-L109 HydrophobicContact CG-CD1 4.12Å; M107-L109 HydrophobicContact CE-CD2 4.48Å
110	C	98	Very high	96.3	Very high	14 Å²	14	59.9 Å²	59.9	10%	0.095	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	141.5	170.4	179.5	0	0	0	0	110.1	Q25 C42 Y52 W53	Q25-C110 VanDerWaalsContact CD-N 3.29Å; Q25-C110 HydrophobicContact CG-CB 3.68Å; C42-C110 HydrophobicContact CB-CB 3.47Å; C42-C110 VanDerWaalsContact CB-CB 3.47Å; C42-C110 WeakPolarHBondContact CB-SG 3.48Å; C42-C110 WeakPolarHBondContact SG-CB 3.46Å; C42-C110 CovalentContact SG-SG 2.01Å; C42-C110 PolarHBondContact SG-SG 3.34Å; Y52-C110 WeakPolarHBondContact O-CA 3.37Å; W53-C110 HydrophobicContact CD2-CB 4.33Å; W53-C110 HydrophobicContact CE3-CB 4.29Å; W53-C110 HydrophobicContact CH2-CB 4.22Å; W53-C110 HydrophobicContact CZ2-CB 4.26Å; W53-C110 HydrophobicContact CZ3-CB 4.23Å
111	A	97.5	Very high	96.3	Very high	36 Å²	36	63.4 Å²	63.4	30%	0.298	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	162.6	172.1	0	0	0	0	0	110.8	M51 Y52 Y54	M51-A111 WeakPolarHBondContact CA-O 3.45Å; Y52-A111 HydrophobicContact CD2-CB 4.29Å; Y52-A111 PolarHBondContact N-O 3.44Å; Y52-A111 PolarHBondContact O-N 3.5Å; Y52-A111 VanDerWaalsContact O-N 3.11Å; Y54-A111 HydrophobicContact CE2-CB 4.02Å
112	T	96.8	Very high	96.4	Very high	24 Å²	24	65.8 Å²	65.8	15%	0.147	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	150.1	178.6	72.8	0	0	0	0	110.9	V23 Q44 H48 V50 M51	V23-T112 HydrophobicContact CG1-CG2 4.18Å; V23-T112 HydrophobicContact CG2-CG2 3.82Å; Q44-T112 HydrophobicContact CB-CG2 3.82Å; Q44-T112 HydrophobicContact CG-CG2 3.93Å; H48-T112 PolarHBondContact ND1-O 3.41Å; H48-T112 PolarHBondContact ND1-OG1 2.8Å; V50-T112 CarbonylContact O-C 3.53Å; V50-T112 WeakPolarHBondContact O-CA 3.28Å; M51-T112 HydrophobicContact CE-CG2 3.94Å; M51-T112 HydrophobicContact CG-CG2 3.89Å
113	S	96.2	Very high	96.6	Very high	36 Å²	36	59.8 Å²	59.8	25%	0.252	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	162.6	174.1	64	0	0	0	0	111.7	H48 N49 V50 Y52	H48-S113 CarbonylContact C-O 3.59Å; H48-S113 WeakPolarHBondContact CB-O 3.31Å; H48-S113 VanDerWaalsContact CG-C 3.47Å; H48-S113 PolarHBondContact ND1-N 3.36Å; N49-S113 PolarHBondContact N-O 2.88Å; V50-S113 WeakPolarHBondContact CB-OG 3.13Å; V50-S113 PolarHBondContact N-O 3.04Å; V50-S113 PolarHBondContact O-N 2.91Å; Y52-S113 VanDerWaalsContact CE2-OG 3.31Å; Y52-S113 WeakPolarHBondContact CE2-OG 3.34Å; Y52-S113 PolarHBondContact OH-OG 2.76Å; Y52-S113 VanDerWaalsContact OH-OG 3.08Å
114	R	92.3	Very high	96.8	Very high	229 Å²	229	61.2 Å²	61.2	86%	0.864	33%	0.332	S	S	*	.			trans	-70.8	0	174.8	-68.7	-173.7	-179.9	149	0.7	111.7	H48	H48-R114 WeakPolarHBondContact CD2-CG 3.38Å

Retrieved 114 of 114 residues in 623.7 ms (Link to these results)

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