Q99NG4_MOUSE Loading...

Single chain Fv

AlphaFold DB , UniProt , Accession Q99NG4, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 121 aa.

						>Q99NG4_MOUSE|Q99NG4
QVQLKESGPGLVAPSQSLSITCTVSGFPLTSHGVSWVRQPPGKGLEWLGVIWGDGNTKYHSALISRLSISKDNSKSQVFLKLNSLQTEDTATYYCARHYYKYANYAMDYWGQGTSVTVSSG
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	Q	87.4	Confident	95.3	Very high	198 Å²	198	74.7 Å²	74.7	93%	0.925	42%	0.417	S	S	*	.				0	142.5	0	-172	175.4	13.1	0	0	108.1
2	V	94.8	Very high	95.4	Very high	26 Å²	26	69.3 Å²	69.3	16%	0.158	39%	0.388	C	S	.	.			trans	-82.3	132.8	175.9	173.9	0	0	0	0	109.4	L4 S25 F27 Y109	V2-L4 HydrophobicContact CG1-CD1 4.18Å; V2-S25 WeakPolarHBondContact CA-O 3.28Å; V2-F27 HydrophobicContact CG1-CD1 3.68Å; V2-F27 HydrophobicContact CG1-CE1 3.79Å; V2-F27 HydrophobicContact CG2-CD1 4.4Å; V2-Y109 HydrophobicContact CB-CD1 3.58Å; V2-Y109 HydrophobicContact CB-CD2 4.24Å; V2-Y109 HydrophobicContact CB-CE1 3.7Å; V2-Y109 HydrophobicContact CB-CE2 4.38Å; V2-Y109 HydrophobicContact CB-CG 3.84Å; V2-Y109 HydrophobicContact CG1-CD1 3.63Å; V2-Y109 HydrophobicContact CG1-CD2 3.86Å; V2-Y109 HydrophobicContact CG1-CE1 4.23Å; V2-Y109 HydrophobicContact CG1-CE2 4.47Å; V2-Y109 HydrophobicContact CG1-CG 3.4Å; V2-Y109 VanDerWaalsContact CG1-CG 3.4Å; V2-Y109 HydrophobicContact CG2-CD1 4.36Å; V2-Y109 HydrophobicContact CG2-CD2 4.37Å; V2-Y109 HydrophobicContact CG2-CE1 4.12Å; V2-Y109 HydrophobicContact CG2-CE2 4.17Å; V2-Y109 HydrophobicContact CG2-CG 4.46Å
3	Q	97.1	Very high	95.5	Very high	112 Å²	112	66.7 Å²	66.7	52%	0.523	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	146	174.4	-59	-179.9	-17.2	0	0	110.5	V24 S25	Q3-V24 WeakPolarHBondContact O-CA 3.41Å; Q3-S25 WeakPolarHBondContact CB-OG 3.42Å; Q3-S25 PolarHBondContact N-O 2.95Å; Q3-S25 PolarHBondContact O-N 3.4Å
4	L	98.3	Very high	95.6	Very high	12 Å²	12	65.6 Å²	65.6	6%	0.063	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	134.1	169.9	-59	93.6	0	0	0	107.7	V2 T23 V24 F27 C95 G111	V2-L4 HydrophobicContact CG1-CD1 4.18Å; L4-T23 WeakPolarHBondContact CA-O 3.25Å; L4-V24 HydrophobicContact CD2-CG1 4.02Å; L4-V24 HydrophobicContact CG-CG1 4.18Å; L4-F27 HydrophobicContact CD1-CE1 4.4Å; L4-F27 HydrophobicContact CD2-CZ 4.3Å; L4-F27 HydrophobicContact CG-CE1 4.35Å; L4-C95 HydrophobicContact CD2-CB 4.29Å; L4-G111 VanDerWaalsContact O-CA 3.24Å; L4-G111 WeakPolarHBondContact O-CA 3.46Å
5	K	98.4	Very high	95.6	Very high	156 Å²	156	67.9 Å²	67.9	68%	0.678	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.3	113.8	-177.7	-175.2	177.6	-179.5	178.9	0	110.7	C22 T23	K5-C22 WeakPolarHBondContact O-CA 3.28Å; K5-T23 PolarHBondContact N-O 3.38Å; K5-T23 PolarHBondContact O-N 3.27Å
6	E	98.6	Very high	95.6	Very high	16 Å²	16	70.5 Å²	70.5	8%	0.075	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	143.5	175.5	-56.6	86	165.7	0	0	111.5	I20 T21 W36 Y94 C95 G111 Q112 G113 T114	E6-I20 HydrophobicContact CB-CG2 4.35Å; E6-T21 CarbonylContact C-O 3.58Å; E6-T21 VanDerWaalsContact CA-O 3.26Å; E6-T21 WeakPolarHBondContact CA-O 3.33Å; E6-W36 HydrophobicContact CG-CZ3 4.21Å; E6-Y94 VanDerWaalsContact OE1-CA 3.3Å; E6-Y94 WeakPolarHBondContact OE1-CA 3.37Å; E6-C95 HydrophobicContact CG-CB 4.48Å; E6-C95 PolarHBondContact OE1-N 3.04Å; E6-C95 PolarHBondContact OE1-SG 3.29Å; E6-G111 VanDerWaalsContact OE1-CA 3.25Å; E6-G111 WeakPolarHBondContact OE1-CA 3.31Å; E6-G111 WeakPolarHBondContact OE2-CA 3.28Å; E6-Q112 PolarHBondContact OE2-N 3.42Å; E6-G113 PolarHBondContact OE2-N 3.41Å; E6-T114 HydrophobicContact CB-CG2 3.76Å
7	S	97.9	Very high	95.7	Very high	64 Å²	64	70.1 Å²	70.1	45%	0.448	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	137.4	166.3	61.3	0	0	0	0	109.6	I20 T21	S7-I20 CarbonylContact O-C 3.49Å; S7-I20 WeakPolarHBondContact O-CA 3.36Å; S7-I20 WeakPolarHBondContact O-CG2 3.48Å; S7-T21 PolarHBondContact N-O 2.84Å; S7-T21 PolarHBondContact O-N 2.79Å
8	G	95.2	Very high	95.7	Very high	33 Å²	33	66.3 Å²	66.3	34%	0.34	39%	0.385	S	S	.	.			trans	-163.3	175.7	-179.6	0	0	0	0	0	111.2
9	P	90.6	Very high	95.8	Very high	50 Å²	50	66.2 Å²	66.2	33%	0.325	39%	0.389	S	S	.	.			trans	-68.9	131.1	174.8	30.2	-35	0	0	0	110.1	V12 L18 S19 V116	P9-V12 HydrophobicContact CB-CG2 3.66Å; P9-V12 HydrophobicContact CG-CG2 3.38Å; P9-L18 HydrophobicContact CG-CD1 3.37Å; P9-S19 VanDerWaalsContact CD-O 3.23Å; P9-S19 WeakPolarHBondContact CD-O 3.36Å; P9-V116 WeakPolarHBondContact O-CG2 3.18Å
10	G	93.6	Very high	96	Very high	48 Å²	48	62.9 Å²	62.9	50%	0.495	37%	0.369	S	S	.	.	S	Bend	trans	-70	-33	177.9	0	0	0	0	0	113.5	T117	G10-T117 PolarHBondContact O-N 2.99Å
11	L	96.3	Very high	96.1	Very high	107 Å²	107	61.1 Å²	61.1	56%	0.56	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.1	134.6	179.2	179.2	66.6	0	0	0	109.4	T117	L11-T117 CarbonylContact C-O 3.58Å; L11-T117 WeakPolarHBondContact CA-O 3.41Å; L11-T117 HydrophobicContact CD1-CG2 3.93Å
12	V	96.4	Very high	96.6	Very high	10 Å²	10	51.7 Å²	51.7	6%	0.061	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	143	176.6	-169.1	0	0	0	0	109.2	P9 Q16 L18 L85 V116 T117 V118 S119	P9-V12 HydrophobicContact CB-CG2 3.66Å; P9-V12 HydrophobicContact CG-CG2 3.38Å; V12-Q16 HydrophobicContact CG1-CB 3.76Å; V12-L18 HydrophobicContact CG2-CD1 4.3Å; V12-L85 HydrophobicContact CB-CD1 3.7Å; V12-L85 HydrophobicContact CG1-CD1 3.41Å; V12-L85 VanDerWaalsContact CG1-CD1 3.41Å; V12-L85 HydrophobicContact CG2-CD1 4.32Å; V12-V116 HydrophobicContact CG2-CG1 4.29Å; V12-T117 PolarHBondContact N-O 3.41Å; V12-V118 VanDerWaalsContact O-CA 3.25Å; V12-V118 WeakPolarHBondContact O-CA 3.25Å; V12-S119 PolarHBondContact O-N 3.32Å; V12-S119 VanDerWaalsContact O-N 3.12Å
13	A	96.7	Very high	96.8	Very high	35 Å²	35	53.1 Å²	53.1	29%	0.289	32%	0.324	S	S	.	.			trans	-77	154.4	176.5	0	0	0	0	0	111.7	Q16	A13-Q16 HydrophobicContact CB-CG 4.17Å; A13-Q16 WeakPolarHBondContact O-CB 3.3Å; A13-Q16 PolarHBondContact O-N 3.37Å
14	P	96.9	Very high	96.8	Very high	52 Å²	52	48 Å²	48	34%	0.338	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	153.4	170.1	-25.2	34	0	0	0	112.5	Q16 L85 V118	P14-Q16 PolarHBondContact O-N 3.25Å; P14-L85 WeakPolarHBondContact CA-O 3.29Å; P14-V118 HydrophobicContact CG-CG1 4.17Å
15	S	95.9	Very high	96.8	Very high	100 Å²	100	49.8 Å²	49.8	70%	0.699	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	-9.9	-177	-55.3	0	0	0	0	116	L85	S15-L85 PolarHBondContact N-O 3.04Å
16	Q	96.3	Very high	96.6	Very high	109 Å²	109	45.1 Å²	45.1	51%	0.509	31%	0.31	S	S	.	.	S	Bend	trans	-76.4	175.8	172.4	-64	-165.5	-32.2	0	0	111.9	V12 A13 P14 S84 L85	V12-Q16 HydrophobicContact CG1-CB 3.76Å; A13-Q16 HydrophobicContact CB-CG 4.17Å; A13-Q16 WeakPolarHBondContact O-CB 3.3Å; A13-Q16 PolarHBondContact O-N 3.37Å; P14-Q16 PolarHBondContact O-N 3.25Å; Q16-S84 PolarHBondContact O-N 3.38Å; Q16-L85 WeakPolarHBondContact O-CG 3.33Å; Q16-L85 PolarHBondContact O-N 3.17Å
17	S	96.4	Very high	96.4	Very high	64 Å²	64	45.1 Å²	45.1	45%	0.448	31%	0.31	S	S	.	.			trans	-103.9	132.4	176.9	-56.3	0	0	0	0	110.8	L82 N83	S17-L82 CarbonylContact C-O 3.59Å; S17-L82 WeakPolarHBondContact CA-O 3.33Å; S17-N83 PolarHBondContact OG-OD1 2.86Å
18	L	96.4	Very high	96.3	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	138.5	169.7	173.4	59.3	0	0	0	109.6	P9 V12 I20 K81 L82 L85 Y93 V116	P9-L18 HydrophobicContact CG-CD1 3.37Å; V12-L18 HydrophobicContact CG2-CD1 4.3Å; L18-I20 HydrophobicContact CD1-CD1 4.28Å; L18-I20 HydrophobicContact CD1-CG1 3.77Å; L18-I20 HydrophobicContact CD2-CD1 4.01Å; L18-I20 HydrophobicContact CD2-CG1 4.21Å; L18-I20 HydrophobicContact CG-CD1 4.25Å; L18-I20 HydrophobicContact CG-CG1 3.89Å; L18-K81 VanDerWaalsContact O-CA 3.3Å; L18-K81 WeakPolarHBondContact O-CA 3.44Å; L18-L82 HydrophobicContact CB-CB 4.29Å; L18-L82 PolarHBondContact N-O 3.27Å; L18-L82 PolarHBondContact O-N 2.99Å; L18-L85 HydrophobicContact CB-CD1 3.71Å; L18-L85 HydrophobicContact CB-CD2 3.83Å; L18-L85 HydrophobicContact CB-CG 4.13Å; L18-L85 HydrophobicContact CD2-CD2 4.25Å; L18-Y93 HydrophobicContact CD2-CE1 4.32Å; L18-Y93 HydrophobicContact CD2-CE2 4.13Å; L18-V116 HydrophobicContact CD1-CG1 3.9Å; L18-V116 HydrophobicContact CD1-CG2 3.9Å; L18-V116 HydrophobicContact CD2-CG1 4.04Å; L18-V116 HydrophobicContact CD2-CG2 4.27Å
19	S	97.4	Very high	96.3	Very high	64 Å²	64	44.1 Å²	44.1	45%	0.448	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	121	167.1	-172.5	0	0	0	0	109.3	P9 L80	P9-S19 VanDerWaalsContact CD-O 3.23Å; P9-S19 WeakPolarHBondContact CD-O 3.36Å; S19-L80 CarbonylContact C-O 3.46Å; S19-L80 WeakPolarHBondContact CA-O 3.36Å
20	I	98.5	Very high	96.5	Very high	0 Å²	0	46 Å²	46	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	135	174.8	-52.1	-178.5	0	0	0	108.4	E6 S7 L18 W36 F79 L80 Y93 T114 V116	E6-I20 HydrophobicContact CB-CG2 4.35Å; S7-I20 CarbonylContact O-C 3.49Å; S7-I20 WeakPolarHBondContact O-CA 3.36Å; S7-I20 WeakPolarHBondContact O-CG2 3.48Å; L18-I20 HydrophobicContact CD1-CD1 4.28Å; L18-I20 HydrophobicContact CD1-CG1 3.77Å; L18-I20 HydrophobicContact CD2-CD1 4.01Å; L18-I20 HydrophobicContact CD2-CG1 4.21Å; L18-I20 HydrophobicContact CG-CD1 4.25Å; L18-I20 HydrophobicContact CG-CG1 3.89Å; I20-W36 HydrophobicContact CB-CH2 4Å; I20-W36 HydrophobicContact CB-CZ3 4.2Å; I20-W36 HydrophobicContact CG2-CH2 3.56Å; I20-W36 HydrophobicContact CG2-CZ3 3.7Å; I20-F79 CarbonylContact O-C 3.58Å; I20-F79 WeakPolarHBondContact O-CA 3.4Å; I20-L80 HydrophobicContact CB-CB 4.23Å; I20-L80 HydrophobicContact CD1-CD2 4.28Å; I20-L80 PolarHBondContact N-O 2.8Å; I20-L80 PolarHBondContact O-N 3.27Å; I20-Y93 HydrophobicContact CD1-CD1 3.77Å; I20-Y93 HydrophobicContact CD1-CD2 3.78Å; I20-Y93 HydrophobicContact CD1-CE1 4.49Å; I20-Y93 HydrophobicContact CD1-CG 3.36Å; I20-T114 HydrophobicContact CD1-CG2 3.97Å; I20-T114 HydrophobicContact CG1-CG2 4.47Å; I20-T114 HydrophobicContact CG2-CG2 3.65Å; I20-V116 HydrophobicContact CD1-CG2 4.01Å
21	T	98.7	Very high	96.4	Very high	27 Å²	27	47.5 Å²	47.5	17%	0.166	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	133.6	173.1	-56.5	0	0	0	0	109.3	E6 S7 Q77 F79	E6-T21 CarbonylContact C-O 3.58Å; E6-T21 VanDerWaalsContact CA-O 3.26Å; E6-T21 WeakPolarHBondContact CA-O 3.33Å; S7-T21 PolarHBondContact N-O 2.84Å; S7-T21 PolarHBondContact O-N 2.79Å; T21-Q77 HydrophobicContact CG2-CB 4.23Å; T21-Q77 HydrophobicContact CG2-CG 3.93Å; T21-F79 HydrophobicContact CG2-CD1 4Å; T21-F79 HydrophobicContact CG2-CE1 3.65Å; T21-F79 WeakPolarHBondContact OG1-CD1 3.48Å
22	C	98.7	Very high	96.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	113.6	167.3	173.7	0	0	0	0	108.5	K5 W36 Q77 V78 C95	K5-C22 WeakPolarHBondContact O-CA 3.28Å; C22-W36 HydrophobicContact CB-CH2 3.55Å; C22-W36 HydrophobicContact CB-CZ2 3.61Å; C22-W36 HydrophobicContact CB-CZ3 4.49Å; C22-Q77 CarbonylContact O-C 3.55Å; C22-Q77 WeakPolarHBondContact O-CA 3.25Å; C22-V78 HydrophobicContact CB-CB 4.42Å; C22-V78 PolarHBondContact N-O 3.12Å; C22-V78 PolarHBondContact O-N 3.25Å; C22-C95 HydrophobicContact CB-CB 3.52Å; C22-C95 WeakPolarHBondContact CB-SG 3.4Å; C22-C95 WeakPolarHBondContact SG-CB 3.43Å; C22-C95 CovalentContact SG-SG 2.02Å; C22-C95 PolarHBondContact SG-SG 2.9Å
23	T	98.5	Very high	96.2	Very high	55 Å²	55	43.8 Å²	43.8	34%	0.337	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	127.3	171.9	-55.4	0	0	0	0	108.8	L4 K5 Q77	L4-T23 WeakPolarHBondContact CA-O 3.25Å; K5-T23 PolarHBondContact N-O 3.38Å; K5-T23 PolarHBondContact O-N 3.27Å; T23-Q77 HydrophobicContact CG2-CG 4.46Å; T23-Q77 PolarHBondContact OG1-NE2 3.32Å
24	V	97.8	Very high	96.2	Very high	5 Å²	5	42.1 Å²	42.1	3%	0.03	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	147.8	-178.2	-53.3	0	0	0	0	111.2	Q3 L4 F27 L29 V34 S76	Q3-V24 WeakPolarHBondContact O-CA 3.41Å; L4-V24 HydrophobicContact CD2-CG1 4.02Å; L4-V24 HydrophobicContact CG-CG1 4.18Å; V24-F27 HydrophobicContact CB-CE1 3.96Å; V24-F27 HydrophobicContact CB-CE2 4.41Å; V24-F27 HydrophobicContact CB-CZ 3.74Å; V24-F27 HydrophobicContact CG1-CE1 4.38Å; V24-F27 HydrophobicContact CG1-CZ 3.82Å; V24-F27 HydrophobicContact CG2-CE2 4.31Å; V24-F27 HydrophobicContact CG2-CZ 4.13Å; V24-L29 HydrophobicContact CG1-CD2 4.4Å; V24-L29 HydrophobicContact CG2-CD1 4.05Å; V24-L29 HydrophobicContact CG2-CD2 3.65Å; V24-L29 HydrophobicContact CG2-CG 3.69Å; V24-V34 HydrophobicContact CG1-CG2 4.37Å; V24-S76 WeakPolarHBondContact CG2-O 3.43Å; V24-S76 PolarHBondContact N-O 2.87Å; V24-S76 WeakPolarHBondContact O-CB 3.35Å
25	S	97.3	Very high	96.3	Very high	50 Å²	50	39.7 Å²	39.7	35%	0.35	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	156.2	171.1	74.3	0	0	0	0	111	V2 Q3 F27	V2-S25 WeakPolarHBondContact CA-O 3.28Å; Q3-S25 WeakPolarHBondContact CB-OG 3.42Å; Q3-S25 PolarHBondContact N-O 2.95Å; Q3-S25 PolarHBondContact O-N 3.4Å; S25-F27 VanDerWaalsContact C-N 3.34Å; S25-F27 PolarHBondContact O-N 2.92Å
26	G	95.6	Very high	96.4	Very high	58 Å²	58	34.9 Å²	34.9	60%	0.598	23%	0.226	S	C	*	.	S	Bend	trans	82.3	3.3	179.7	0	0	0	0	0	115.6
27	F	93.9	Very high	96.5	Very high	16 Å²	16	29.9 Å²	29.9	7%	0.07	20%	0.203	C	C	.	.	S	Bend	trans	-154.9	150	167	65.1	-84.6	0	0	0	111.3	V2 L4 V24 S25 L29 H32 V34 R97	V2-F27 HydrophobicContact CG1-CD1 3.68Å; V2-F27 HydrophobicContact CG1-CE1 3.79Å; V2-F27 HydrophobicContact CG2-CD1 4.4Å; L4-F27 HydrophobicContact CD1-CE1 4.4Å; L4-F27 HydrophobicContact CD2-CZ 4.3Å; L4-F27 HydrophobicContact CG-CE1 4.35Å; V24-F27 HydrophobicContact CB-CE1 3.96Å; V24-F27 HydrophobicContact CB-CE2 4.41Å; V24-F27 HydrophobicContact CB-CZ 3.74Å; V24-F27 HydrophobicContact CG1-CE1 4.38Å; V24-F27 HydrophobicContact CG1-CZ 3.82Å; V24-F27 HydrophobicContact CG2-CE2 4.31Å; V24-F27 HydrophobicContact CG2-CZ 4.13Å; S25-F27 VanDerWaalsContact C-N 3.34Å; S25-F27 PolarHBondContact O-N 2.92Å; F27-L29 HydrophobicContact CE2-CD2 4.05Å; F27-H32 HydrophobicContact CD2-CB 3.57Å; F27-H32 AromaticContact CD2-CG 3.76Å; F27-H32 HydrophobicContact CE2-CB 3.94Å; F27-V34 HydrophobicContact CE2-CG2 4.14Å; F27-V34 HydrophobicContact CZ-CG2 4.19Å; F27-R97 HydrophobicContact CD1-CG 4.48Å; F27-R97 HydrophobicContact CD2-CG 4.26Å; F27-R97 HydrophobicContact CE1-CB 4.24Å; F27-R97 HydrophobicContact CE1-CG 4.15Å; F27-R97 HydrophobicContact CE2-CG 3.9Å; F27-R97 HydrophobicContact CZ-CB 4.03Å; F27-R97 HydrophobicContact CZ-CG 3.84Å
28	P	95.1	Very high	96.5	Very high	69 Å²	69	27.6 Å²	27.6	45%	0.448	19%	0.185	S	C	.	.			trans	-86.4	134.2	178.2	27.9	-24.9	0	0	0	112.4	T30 S31 H32	P28-T30 PolarHBondContact O-N 3.1Å; P28-S31 WeakPolarHBondContact CG-OG 3.49Å; P28-S31 PolarHBondContact O-N 2.62Å; P28-H32 PolarHBondContact O-N 3.22Å; P28-H32 PolarHBondContact O-ND1 3.12Å
29	L	96	Very high	96.6	Very high	7 Å²	7	31 Å²	31	4%	0.037	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-9.4	177.3	-69.9	-179.9	0	0	0	114.4	V24 F27 V34 G53 K71 N73 V78	V24-L29 HydrophobicContact CG1-CD2 4.4Å; V24-L29 HydrophobicContact CG2-CD1 4.05Å; V24-L29 HydrophobicContact CG2-CD2 3.65Å; V24-L29 HydrophobicContact CG2-CG 3.69Å; F27-L29 HydrophobicContact CE2-CD2 4.05Å; L29-V34 HydrophobicContact CD2-CG2 3.66Å; L29-G53 WeakPolarHBondContact O-CA 3.16Å; L29-K71 HydrophobicContact CB-CD 4.47Å; L29-K71 HydrophobicContact CD1-CB 4.47Å; L29-K71 PolarHBondContact O-NZ 2.93Å; L29-N73 VanDerWaalsContact CB-OD1 3.31Å; L29-N73 WeakPolarHBondContact CB-OD1 3.49Å; L29-V78 HydrophobicContact CD1-CG2 3.84Å; L29-V78 HydrophobicContact CD2-CG2 3.69Å; L29-V78 HydrophobicContact CG-CG2 4.45Å
30	T	94.8	Very high	96.6	Very high	90 Å²	90	28.6 Å²	28.6	55%	0.552	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-22.3	176.4	51	0	0	0	0	113	P28 G53 N73	P28-T30 PolarHBondContact O-N 3.1Å; T30-G53 CarbonylContact O-C 3.58Å; T30-G53 WeakPolarHBondContact O-CA 3.17Å; T30-N73 HydrophobicContact CG2-CB 4.42Å
31	S	91.2	Very high	96.5	Very high	78 Å²	78	33.4 Å²	33.4	55%	0.545	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122	-1.6	-178.1	55.9	0	0	0	0	114.1	P28	P28-S31 WeakPolarHBondContact CG-OG 3.49Å; P28-S31 PolarHBondContact O-N 2.62Å
32	H	92.7	Very high	96.4	Very high	36 Å²	36	36.5 Å²	36.5	17%	0.167	25%	0.252	C	S	.	.			trans	-129.1	147.1	179.9	-62.6	72.9	0	0	0	110.2	F27 P28 R97	F27-H32 HydrophobicContact CD2-CB 3.57Å; F27-H32 AromaticContact CD2-CG 3.76Å; F27-H32 HydrophobicContact CE2-CB 3.94Å; P28-H32 PolarHBondContact O-N 3.22Å; P28-H32 PolarHBondContact O-ND1 3.12Å; H32-R97 HydrophobicContact CB-CG 4.5Å
33	G	95.3	Very high	96.3	Very high	3 Å²	3	43.3 Å²	43.3	3%	0.031	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	165.9	170	0	0	0	0	0	112.1	I51 H98	G33-I51 CarbonylContact C-O 3.58Å; G33-I51 WeakPolarHBondContact CA-O 3.41Å; G33-H98 PolarHBondContact N-O 3.49Å; G33-H98 VanDerWaalsContact N-O 3.17Å; G33-H98 PolarHBondContact O-N 2.95Å
34	V	97.8	Very high	96.2	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.006	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	124.1	169.2	177.2	0	0	0	0	108.3	V24 F27 L29 V50 I51 V78 C95 A96	V24-V34 HydrophobicContact CG1-CG2 4.37Å; F27-V34 HydrophobicContact CE2-CG2 4.14Å; F27-V34 HydrophobicContact CZ-CG2 4.19Å; L29-V34 HydrophobicContact CD2-CG2 3.66Å; V34-V50 WeakPolarHBondContact O-CA 3.35Å; V34-V50 WeakPolarHBondContact O-CG2 3.38Å; V34-I51 PolarHBondContact N-O 3.17Å; V34-I51 PolarHBondContact O-N 3.36Å; V34-V78 HydrophobicContact CB-CB 4.45Å; V34-V78 HydrophobicContact CB-CG1 4.25Å; V34-V78 HydrophobicContact CB-CG2 3.93Å; V34-V78 HydrophobicContact CG1-CB 4.31Å; V34-V78 HydrophobicContact CG1-CG1 4.21Å; V34-V78 HydrophobicContact CG1-CG2 4.23Å; V34-V78 HydrophobicContact CG2-CG2 3.82Å; V34-C95 HydrophobicContact CG1-CB 3.85Å; V34-A96 CarbonylContact C-O 3.57Å; V34-A96 WeakPolarHBondContact CA-O 3.3Å
35	S	97.6	Very high	96.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	145.9	173.6	-68.9	0	0	0	0	110.6	G49 C95 A96 H98 M107	S35-G49 CarbonylContact C-O 3.54Å; S35-G49 VanDerWaalsContact CA-O 3.27Å; S35-G49 WeakPolarHBondContact CA-O 3.27Å; S35-C95 CarbonylContact O-C 3.45Å; S35-C95 VanDerWaalsContact O-CA 3.32Å; S35-C95 WeakPolarHBondContact O-CA 3.47Å; S35-A96 PolarHBondContact N-O 2.78Å; S35-A96 PolarHBondContact O-N 3.07Å; S35-H98 PolarHBondContact OG-ND1 2.88Å; S35-M107 WeakPolarHBondContact OG-CE 3.35Å
36	W	98.1	Very high	96.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	135.8	167.5	-74.3	98.5	0	0	0	109.7	E6 I20 C22 L48 G49 V78 L80 Y94 C95	E6-W36 HydrophobicContact CG-CZ3 4.21Å; I20-W36 HydrophobicContact CB-CH2 4Å; I20-W36 HydrophobicContact CB-CZ3 4.2Å; I20-W36 HydrophobicContact CG2-CH2 3.56Å; I20-W36 HydrophobicContact CG2-CZ3 3.7Å; C22-W36 HydrophobicContact CB-CH2 3.55Å; C22-W36 HydrophobicContact CB-CZ2 3.61Å; C22-W36 HydrophobicContact CB-CZ3 4.49Å; W36-L48 HydrophobicContact CB-CB 4.12Å; W36-L48 HydrophobicContact CB-CD1 4.36Å; W36-L48 WeakPolarHBondContact O-CB 3.38Å; W36-L48 PolarHBondContact O-N 3.18Å; W36-G49 PolarHBondContact N-O 3.03Å; W36-G49 PolarHBondContact O-N 3.28Å; W36-V78 HydrophobicContact CZ2-CG1 4.49Å; W36-L80 HydrophobicContact CB-CD1 3.89Å; W36-L80 HydrophobicContact CB-CD2 4.44Å; W36-L80 HydrophobicContact CD2-CB 3.76Å; W36-L80 HydrophobicContact CD2-CD1 4.05Å; W36-L80 HydrophobicContact CD2-CD2 4.05Å; W36-L80 HydrophobicContact CD2-CG 4.19Å; W36-L80 HydrophobicContact CE3-CB 4.12Å; W36-L80 HydrophobicContact CE3-CD2 3.94Å; W36-L80 HydrophobicContact CG-CB 4.22Å; W36-L80 HydrophobicContact CG-CD1 3.62Å; W36-L80 HydrophobicContact CG-CD2 4.3Å; W36-L80 HydrophobicContact CG-CG 4.28Å; W36-L80 HydrophobicContact CH2-CB 4.15Å; W36-L80 HydrophobicContact CZ2-CB 3.8Å; W36-L80 HydrophobicContact CZ3-CB 4.31Å; W36-Y94 WeakPolarHBondContact CA-O 3.4Å; W36-C95 HydrophobicContact CD2-CB 4.32Å; W36-C95 HydrophobicContact CE3-CB 4.13Å; W36-C95 HydrophobicContact CH2-CB 4.18Å; W36-C95 HydrophobicContact CZ2-CB 4.36Å; W36-C95 HydrophobicContact CZ3-CB 4.06Å
37	V	97.9	Very high	96.1	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.024	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	143.5	-179.5	-179.4	0	0	0	0	107.3	L45 E46 Y94 M107 W110	V37-L45 HydrophobicContact CG1-CB 3.86Å; V37-L45 HydrophobicContact CG1-CD2 3.8Å; V37-L45 HydrophobicContact CG1-CG 4.34Å; V37-E46 CarbonylContact C-O 3.52Å; V37-E46 VanDerWaalsContact CA-O 3.29Å; V37-E46 WeakPolarHBondContact CA-O 3.37Å; V37-E46 WeakPolarHBondContact CG1-O 3.34Å; V37-Y94 PolarHBondContact N-O 3.45Å; V37-Y94 PolarHBondContact O-N 2.95Å; V37-M107 HydrophobicContact CG2-SD 4.02Å; V37-W110 HydrophobicContact CB-CH2 4.05Å; V37-W110 HydrophobicContact CB-CZ3 3.81Å; V37-W110 HydrophobicContact CG1-CH2 4.01Å; V37-W110 HydrophobicContact CG1-CZ3 3.95Å; V37-W110 HydrophobicContact CG2-CH2 3.72Å; V37-W110 HydrophobicContact CG2-CZ3 3.92Å
38	R	97.4	Very high	96.3	Very high	16 Å²	16	47.7 Å²	47.7	6%	0.06	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	156.5	170.7	72.7	177.9	176.3	-173.7	0.5	111.5	E46 L48 D89 A91 T92 Y93	R38-E46 HydrophobicContact CG-CB 4.15Å; R38-E46 IonicContact CZ-OE2 2.92Å; R38-E46 VanDerWaalsContact CZ-OE2 3.28Å; R38-E46 PolarHBondContact N-O 3.04Å; R38-E46 IonicContact NE-OE2 3.39Å; R38-E46 PolarHBondContact NE-OE2 2.8Å; R38-E46 IonicContact NH2-OE1 3.86Å; R38-E46 PolarHBondContact NH2-OE1 2.92Å; R38-E46 IonicContact NH2-OE2 2.76Å; R38-E46 PolarHBondContact NH2-OE2 3Å; R38-E46 PolarHBondContact O-N 2.82Å; R38-L48 HydrophobicContact CB-CD1 4.11Å; R38-L48 HydrophobicContact CB-CD2 4.49Å; R38-L48 HydrophobicContact CB-CG 4.42Å; R38-L48 HydrophobicContact CG-CD1 4.28Å; R38-L48 HydrophobicContact CG-CD2 3.79Å; R38-L48 HydrophobicContact CG-CG 4.21Å; R38-D89 IonicContact CZ-OD1 2.76Å; R38-D89 IonicContact NH1-OD1 3.24Å; R38-D89 PolarHBondContact NH1-OD1 3.2Å; R38-A91 HydrophobicContact CB-CB 3.86Å; R38-A91 HydrophobicContact CG-CB 4.25Å; R38-T92 CarbonylContact C-O 3.46Å; R38-T92 VanDerWaalsContact CA-O 3.24Å; R38-T92 WeakPolarHBondContact CA-O 3.03Å; R38-Y93 HydrophobicContact CB-CD1 3.86Å; R38-Y93 HydrophobicContact CB-CE1 3.89Å; R38-Y93 HydrophobicContact CB-CG 4.28Å
39	Q	98.2	Very high	96.3	Very high	72 Å²	72	44.4 Å²	44.4	34%	0.336	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	102.1	172.8	-169.5	177.4	21	0	0	109.3	K43 L45 A91 T92 Y94	Q39-K43 WeakPolarHBondContact CG-O 3.4Å; Q39-K43 PolarHBondContact NE2-O 2.91Å; Q39-L45 HydrophobicContact CB-CD2 3.99Å; Q39-L45 HydrophobicContact CG-CD2 4.41Å; Q39-A91 WeakPolarHBondContact O-CA 3.41Å; Q39-A91 WeakPolarHBondContact O-CB 3.24Å; Q39-T92 PolarHBondContact N-O 3.3Å; Q39-T92 PolarHBondContact O-N 2.92Å; Q39-Y94 HydrophobicContact CB-CE2 3.86Å; Q39-Y94 PolarHBondContact OE1-OH 2.76Å
40	P	97.4	Very high	96.4	Very high	14 Å²	14	44.1 Å²	44.1	9%	0.091	27%	0.269	C	S	.	.			trans	-65.1	152.6	170.8	-18.8	31.6	0	0	0	111.1	G42 K43 A91	P40-G42 PolarHBondContact O-N 3.39Å; P40-K43 HydrophobicContact CB-CB 4.11Å; P40-K43 HydrophobicContact CB-CD 3.97Å; P40-K43 HydrophobicContact CB-CG 4.24Å; P40-K43 HydrophobicContact CG-CB 4.33Å; P40-K43 HydrophobicContact CG-CD 4.2Å; P40-K43 PolarHBondContact O-N 2.76Å; P40-A91 HydrophobicContact CG-CB 4.45Å
41	P	96.8	Very high	96.5	Very high	100 Å²	100	40.3 Å²	40.3	65%	0.649	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.8	129.1	176.5	-25.8	34.2	0	0	0	112.1	K43 T90	P41-K43 PolarHBondContact O-N 3.24Å; P41-T90 WeakPolarHBondContact CD-O 3.44Å; P41-T90 HydrophobicContact CG-CG2 4.33Å
42	G	96.9	Very high	96.7	Very high	93 Å²	93	40.1 Å²	40.1	96%	0.959	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.9	8.7	179.8	0	0	0	0	0	115.4	P40	P40-G42 PolarHBondContact O-N 3.39Å
43	K	96.6	Very high	96.8	Very high	142 Å²	142	39.2 Å²	39.2	62%	0.617	23%	0.232	S	C	*	.	S	Bend	trans	-117.8	166.4	179.1	-61.4	-170.2	-175.6	173.9	0	112.2	Q39 P40 P41	Q39-K43 WeakPolarHBondContact CG-O 3.4Å; Q39-K43 PolarHBondContact NE2-O 2.91Å; P40-K43 HydrophobicContact CB-CB 4.11Å; P40-K43 HydrophobicContact CB-CD 3.97Å; P40-K43 HydrophobicContact CB-CG 4.24Å; P40-K43 HydrophobicContact CG-CB 4.33Å; P40-K43 HydrophobicContact CG-CD 4.2Å; P40-K43 PolarHBondContact O-N 2.76Å; P41-K43 PolarHBondContact O-N 3.24Å
44	G	96.1	Very high	96.7	Very high	54 Å²	54	44.5 Å²	44.5	56%	0.557	26%	0.26	S	S	*	.			trans	-73.4	175.8	172.3	0	0	0	0	0	113.1
45	L	96.8	Very high	96.6	Very high	102 Å²	102	46 Å²	46	53%	0.534	28%	0.276	S	S	.	.			trans	-69	132.2	174.6	-67.7	168.4	0	0	0	110.8	V37 Q39 Y94 W110	V37-L45 HydrophobicContact CG1-CB 3.86Å; V37-L45 HydrophobicContact CG1-CD2 3.8Å; V37-L45 HydrophobicContact CG1-CG 4.34Å; Q39-L45 HydrophobicContact CB-CD2 3.99Å; Q39-L45 HydrophobicContact CG-CD2 4.41Å; L45-Y94 HydrophobicContact CD2-CD2 4.25Å; L45-Y94 HydrophobicContact CD2-CE2 4.09Å; L45-W110 HydrophobicContact CD1-CH2 4.25Å
46	E	96.2	Very high	96.5	Very high	51 Å²	51	50.8 Å²	50.8	24%	0.238	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	120.7	176.1	-176.3	-173.4	-179.9	0	0	109.5	V37 R38	V37-E46 CarbonylContact C-O 3.52Å; V37-E46 VanDerWaalsContact CA-O 3.29Å; V37-E46 WeakPolarHBondContact CA-O 3.37Å; V37-E46 WeakPolarHBondContact CG1-O 3.34Å; R38-E46 HydrophobicContact CG-CB 4.15Å; R38-E46 IonicContact CZ-OE2 2.92Å; R38-E46 VanDerWaalsContact CZ-OE2 3.28Å; R38-E46 PolarHBondContact N-O 3.04Å; R38-E46 IonicContact NE-OE2 3.39Å; R38-E46 PolarHBondContact NE-OE2 2.8Å; R38-E46 IonicContact NH2-OE1 3.86Å; R38-E46 PolarHBondContact NH2-OE1 2.92Å; R38-E46 IonicContact NH2-OE2 2.76Å; R38-E46 PolarHBondContact NH2-OE2 3Å; R38-E46 PolarHBondContact O-N 2.82Å
47	W	96	Very high	96.5	Very high	69 Å²	69	53.4 Å²	53.4	26%	0.261	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	128.9	174.8	179.2	77.7	0	0	0	110.8	G49 V50 K58 H60 M107	W47-G49 PolarHBondContact NE1-O 2.98Å; W47-V50 HydrophobicContact CZ2-CB 3.96Å; W47-V50 HydrophobicContact CZ2-CG1 3.8Å; W47-K58 HydrophobicContact CH2-CB 4.26Å; W47-K58 HydrophobicContact CH2-CD 4.15Å; W47-K58 HydrophobicContact CH2-CG 3.96Å; W47-H60 HydrophobicContact CE3-CB 4.28Å; W47-H60 HydrophobicContact CZ3-CB 4.42Å; W47-H60 WeakPolarHBondContact O-CB 3.39Å; W47-H60 PolarHBondContact O-CD2 3.22Å; W47-M107 VanDerWaalsContact CD1-CE 3.41Å; W47-M107 HydrophobicContact CG-CE 4.45Å
48	L	96.7	Very high	96.3	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.005	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-39.6	-177.6	-59.9	-174.5	0	0	0	112.7	W36 R38 Y59 H60 L63 L67 L80 Y93	W36-L48 HydrophobicContact CB-CB 4.12Å; W36-L48 HydrophobicContact CB-CD1 4.36Å; W36-L48 WeakPolarHBondContact O-CB 3.38Å; W36-L48 PolarHBondContact O-N 3.18Å; R38-L48 HydrophobicContact CB-CD1 4.11Å; R38-L48 HydrophobicContact CB-CD2 4.49Å; R38-L48 HydrophobicContact CB-CG 4.42Å; R38-L48 HydrophobicContact CG-CD1 4.28Å; R38-L48 HydrophobicContact CG-CD2 3.79Å; R38-L48 HydrophobicContact CG-CG 4.21Å; L48-Y59 CarbonylContact O-C 3.57Å; L48-H60 WeakPolarHBondContact O-CB 3.5Å; L48-H60 PolarHBondContact O-N 2.89Å; L48-L63 HydrophobicContact CD2-CD1 3.38Å; L48-L67 HydrophobicContact CB-CD2 3.99Å; L48-L67 WeakPolarHBondContact O-CD2 3.25Å; L48-L80 HydrophobicContact CD1-CD2 3.88Å; L48-Y93 HydrophobicContact CD1-CD1 3.86Å; L48-Y93 HydrophobicContact CD1-CE1 3.76Å
49	G	96.2	Very high	96.2	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.7	175.9	-173.9	0	0	0	0	0	112.8	S35 W36 W47 K58	S35-G49 CarbonylContact C-O 3.54Å; S35-G49 VanDerWaalsContact CA-O 3.27Å; S35-G49 WeakPolarHBondContact CA-O 3.27Å; W36-G49 PolarHBondContact N-O 3.03Å; W36-G49 PolarHBondContact O-N 3.28Å; W47-G49 PolarHBondContact NE1-O 2.98Å; G49-K58 CarbonylContact C-O 3.59Å; G49-K58 WeakPolarHBondContact CA-O 3.49Å
50	V	96.8	Very high	96	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.006	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	147.5	177.5	64.8	0	0	0	0	109.8	V34 W47 W52 T57 K58 H98	V34-V50 WeakPolarHBondContact O-CA 3.35Å; V34-V50 WeakPolarHBondContact O-CG2 3.38Å; W47-V50 HydrophobicContact CZ2-CB 3.96Å; W47-V50 HydrophobicContact CZ2-CG1 3.8Å; V50-W52 HydrophobicContact CG1-CD2 4.06Å; V50-W52 HydrophobicContact CG1-CE3 4.14Å; V50-W52 HydrophobicContact CG1-CH2 3.47Å; V50-W52 VanDerWaalsContact CG1-CH2 3.47Å; V50-W52 HydrophobicContact CG1-CZ2 3.34Å; V50-W52 HydrophobicContact CG1-CZ3 3.87Å; V50-W52 HydrophobicContact CG2-CD2 4.48Å; V50-T57 VanDerWaalsContact O-CA 3.27Å; V50-T57 WeakPolarHBondContact O-CA 3.44Å; V50-K58 HydrophobicContact CG1-CB 4.08Å; V50-K58 PolarHBondContact N-O 2.77Å; V50-K58 PolarHBondContact O-N 2.84Å; V50-H98 HydrophobicContact CG2-CB 3.82Å
51	I	97.5	Very high	95.6	Very high	9 Å²	9	64.3 Å²	64.3	5%	0.046	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	128	161.3	-172.5	163.9	0	0	0	109	G33 V34 N56 T57 I69 K71 V78	G33-I51 CarbonylContact C-O 3.58Å; G33-I51 WeakPolarHBondContact CA-O 3.41Å; V34-I51 PolarHBondContact N-O 3.17Å; V34-I51 PolarHBondContact O-N 3.36Å; I51-N56 CarbonylContact C-O 3.42Å; I51-N56 WeakPolarHBondContact CA-O 3.39Å; I51-T57 HydrophobicContact CB-CG2 4Å; I51-T57 HydrophobicContact CD1-CG2 4.02Å; I51-T57 HydrophobicContact CG1-CG2 3.87Å; I51-I69 HydrophobicContact CB-CG2 3.71Å; I51-I69 HydrophobicContact CG2-CG2 3.62Å; I51-K71 HydrophobicContact CD1-CB 4.09Å; I51-K71 HydrophobicContact CD1-CD 3.9Å; I51-K71 HydrophobicContact CD1-CG 3.75Å; I51-K71 HydrophobicContact CG1-CD 4.14Å; I51-V78 HydrophobicContact CG2-CG1 3.73Å
52	W	95.9	Very high	95.2	Very high	74 Å²	74	63 Å²	63	28%	0.28	37%	0.372	S	S	.	.			trans	-89.3	173.3	-179.6	-70.7	-78.3	0	0	0	112.6	V50 D54 G55 N56 K58 K71 H98	V50-W52 HydrophobicContact CG1-CD2 4.06Å; V50-W52 HydrophobicContact CG1-CE3 4.14Å; V50-W52 HydrophobicContact CG1-CH2 3.47Å; V50-W52 VanDerWaalsContact CG1-CH2 3.47Å; V50-W52 HydrophobicContact CG1-CZ2 3.34Å; V50-W52 HydrophobicContact CG1-CZ3 3.87Å; V50-W52 HydrophobicContact CG2-CD2 4.48Å; W52-D54 VanDerWaalsContact CB-OD1 3.3Å; W52-D54 WeakPolarHBondContact CB-OD1 3.01Å; W52-D54 PolarHBondContact O-N 2.94Å; W52-G55 PolarHBondContact O-N 2.8Å; W52-N56 HydrophobicContact CE3-CB 3.92Å; W52-N56 VanDerWaalsContact CE3-O 3.28Å; W52-N56 HydrophobicContact CZ3-CB 4.49Å; W52-N56 PolarHBondContact N-O 2.87Å; W52-K58 HydrophobicContact CH2-CB 3.41Å; W52-K58 VanDerWaalsContact CH2-CB 3.41Å; W52-K58 HydrophobicContact CH2-CD 4.02Å; W52-K58 HydrophobicContact CH2-CG 4.35Å; W52-K58 HydrophobicContact CZ3-CB 3.66Å; W52-K71 PolarHBondContact O-NZ 3.12Å; W52-H98 AromaticContact CD1-CD2 3.93Å; W52-H98 AromaticContact NE1-CD2 3.47Å; W52-H98 PolarHBondContact NE1-CD2 2.89Å; W52-H98 AromaticContact NE1-NE2 3.38Å; W52-H98 PolarHBondContact NE1-NE2 3.41Å
53	G	93.9	Very high	94.6	Very high	17 Å²	17	59 Å²	59	18%	0.175	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-34.9	-179.1	0	0	0	0	0	113.9	L29 T30 G55 K71	L29-G53 WeakPolarHBondContact O-CA 3.16Å; T30-G53 CarbonylContact O-C 3.58Å; T30-G53 WeakPolarHBondContact O-CA 3.17Å; G53-G55 VanDerWaalsContact C-N 3.27Å; G53-G55 PolarHBondContact O-N 2.83Å; G53-K71 PolarHBondContact O-NZ 2.9Å
54	D	94.4	Very high	94.2	Very high	115 Å²	115	57.1 Å²	57.1	62%	0.615	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-9.4	175.3	62.3	-0.8	0	0	0	114	W52 N56	W52-D54 VanDerWaalsContact CB-OD1 3.3Å; W52-D54 WeakPolarHBondContact CB-OD1 3.01Å; W52-D54 PolarHBondContact O-N 2.94Å; D54-N56 WeakPolarHBondContact OD1-CB 3.47Å; D54-N56 PolarHBondContact OD1-N 2.98Å; D54-N56 PolarHBondContact OD2-ND2 2.85Å
55	G	95.7	Very high	94	Very high	33 Å²	33	59.6 Å²	59.6	34%	0.34	33%	0.333	S	S	.	.	S	Bend	trans	91.8	-1.8	-178.5	0	0	0	0	0	114.6	W52 G53	W52-G55 PolarHBondContact O-N 2.8Å; G53-G55 VanDerWaalsContact C-N 3.27Å; G53-G55 PolarHBondContact O-N 2.83Å
56	N	95.6	Very high	93.9	Very high	100 Å²	100	56.3 Å²	56.3	54%	0.535	31%	0.314	S	S	.	.			trans	-63.6	149	173.2	-77.8	-39.6	0	0	0	110.7	I51 W52 D54	I51-N56 CarbonylContact C-O 3.42Å; I51-N56 WeakPolarHBondContact CA-O 3.39Å; W52-N56 HydrophobicContact CE3-CB 3.92Å; W52-N56 VanDerWaalsContact CE3-O 3.28Å; W52-N56 HydrophobicContact CZ3-CB 4.49Å; W52-N56 PolarHBondContact N-O 2.87Å; D54-N56 WeakPolarHBondContact OD1-CB 3.47Å; D54-N56 PolarHBondContact OD1-N 2.98Å; D54-N56 PolarHBondContact OD2-ND2 2.85Å
57	T	96.6	Very high	93.9	Very high	55 Å²	55	54.3 Å²	54.3	34%	0.337	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	149.8	-179.7	54.9	0	0	0	0	111.8	V50 I51 Y59 I69	V50-T57 VanDerWaalsContact O-CA 3.27Å; V50-T57 WeakPolarHBondContact O-CA 3.44Å; I51-T57 HydrophobicContact CB-CG2 4Å; I51-T57 HydrophobicContact CD1-CG2 4.02Å; I51-T57 HydrophobicContact CG1-CG2 3.87Å; T57-Y59 PolarHBondContact OG1-OH 2.9Å; T57-I69 HydrophobicContact CG2-CB 4.5Å
58	K	95	Very high	93.9	Very high	125 Å²	125	53.5 Å²	53.5	54%	0.543	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	139.8	167.3	-175.4	-175	177.3	177.7	0	108.6	W47 G49 V50 W52	W47-K58 HydrophobicContact CH2-CB 4.26Å; W47-K58 HydrophobicContact CH2-CD 4.15Å; W47-K58 HydrophobicContact CH2-CG 3.96Å; G49-K58 CarbonylContact C-O 3.59Å; G49-K58 WeakPolarHBondContact CA-O 3.49Å; V50-K58 HydrophobicContact CG1-CB 4.08Å; V50-K58 PolarHBondContact N-O 2.77Å; V50-K58 PolarHBondContact O-N 2.84Å; W52-K58 HydrophobicContact CH2-CB 3.41Å; W52-K58 VanDerWaalsContact CH2-CB 3.41Å; W52-K58 HydrophobicContact CH2-CD 4.02Å; W52-K58 HydrophobicContact CH2-CG 4.35Å; W52-K58 HydrophobicContact CZ3-CB 3.66Å
59	Y	95.1	Very high	94	Very high	49 Å²	49	53.8 Å²	53.8	19%	0.192	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	157.6	-176.1	-54.9	-67	0	0	0	111.3	L48 T57 I64 L67 I69	L48-Y59 CarbonylContact O-C 3.57Å; T57-Y59 PolarHBondContact OG1-OH 2.9Å; Y59-I64 HydrophobicContact CD2-CD1 4.39Å; Y59-I64 HydrophobicContact CD2-CG1 3.96Å; Y59-I64 HydrophobicContact CG-CG1 4.43Å; Y59-L67 HydrophobicContact CD1-CB 4.46Å; Y59-L67 HydrophobicContact CD1-CD2 3.7Å; Y59-L67 HydrophobicContact CD1-CG 4.04Å; Y59-L67 HydrophobicContact CE1-CD2 4.46Å; Y59-L67 HydrophobicContact CE1-CG 4.38Å; Y59-L67 HydrophobicContact CG-CD2 4.46Å; Y59-I69 HydrophobicContact CD1-CD1 4.01Å; Y59-I69 HydrophobicContact CD1-CG1 4.42Å; Y59-I69 HydrophobicContact CE1-CB 4.06Å; Y59-I69 HydrophobicContact CE1-CD1 3.83Å; Y59-I69 HydrophobicContact CE1-CG1 3.83Å; Y59-I69 PolarHBondContact OH-N 2.86Å
60	H	93.1	Very high	94.1	Very high	63 Å²	63	56.4 Å²	56.4	29%	0.292	33%	0.33	S	S	.	.			trans	-66	129.1	163	-167.3	-97	0	0	0	109.1	W47 L48 A62 L63 I64	W47-H60 HydrophobicContact CE3-CB 4.28Å; W47-H60 HydrophobicContact CZ3-CB 4.42Å; W47-H60 WeakPolarHBondContact O-CB 3.39Å; W47-H60 PolarHBondContact O-CD2 3.22Å; L48-H60 WeakPolarHBondContact O-CB 3.5Å; L48-H60 PolarHBondContact O-N 2.89Å; H60-A62 PolarHBondContact O-N 3.11Å; H60-L63 PolarHBondContact O-N 3.22Å; H60-I64 PolarHBondContact O-N 3.35Å
61	S	89.8	Confident	94.2	Very high	97 Å²	97	58.4 Å²	58.4	68%	0.678	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-58.3	-35.7	-170.5	51.8	0	0	0	0	113	L63 I64	S61-L63 PolarHBondContact O-N 3.07Å; S61-I64 WeakPolarHBondContact O-CG2 3.36Å
62	A	87.6	Confident	94.2	Very high	73 Å²	73	60 Å²	60	60%	0.603	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-66	-19	179.5	0	0	0	0	0	114	H60	H60-A62 PolarHBondContact O-N 3.11Å
63	L	85.4	Confident	94.3	Very high	8 Å²	8	59.8 Å²	59.8	4%	0.042	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-116.7	-0.2	-173.3	-62.9	172.2	0	0	0	113.1	L48 H60 S61 S65 R66 L67	L48-L63 HydrophobicContact CD2-CD1 3.38Å; H60-L63 PolarHBondContact O-N 3.22Å; S61-L63 PolarHBondContact O-N 3.07Å; L63-S65 PolarHBondContact O-N 3.22Å; L63-S65 VanDerWaalsContact O-N 3.08Å; L63-R66 PolarHBondContact O-N 2.84Å; L63-L67 HydrophobicContact CB-CB 4.22Å; L63-L67 HydrophobicContact CB-CD2 4.36Å; L63-L67 WeakPolarHBondContact O-CB 3.44Å; L63-L67 PolarHBondContact O-N 3.35Å
64	I	87.8	Confident	94.4	Very high	103 Å²	103	64 Å²	64	53%	0.528	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-27.5	-170.7	-162.5	164.2	0	0	0	114.1	Y59 H60 S61	Y59-I64 HydrophobicContact CD2-CD1 4.39Å; Y59-I64 HydrophobicContact CD2-CG1 3.96Å; Y59-I64 HydrophobicContact CG-CG1 4.43Å; H60-I64 PolarHBondContact O-N 3.35Å; S61-I64 WeakPolarHBondContact O-CG2 3.36Å
65	S	92.1	Very high	94.6	Very high	107 Å²	107	64.5 Å²	64.5	75%	0.748	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-20	179.5	58.5	0	0	0	0	113.9	L63	L63-S65 PolarHBondContact O-N 3.22Å; L63-S65 VanDerWaalsContact O-N 3.08Å
66	R	94.9	Very high	94.7	Very high	32 Å²	32	65.1 Å²	65.1	12%	0.121	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116	-19.9	-174.2	-59.4	-164.9	-63	114.7	-8.5	113.4	L63 L82 N83 S84 D89	L63-R66 PolarHBondContact O-N 2.84Å; R66-L82 HydrophobicContact CB-CD1 3.78Å; R66-L82 WeakPolarHBondContact O-CA 3.3Å; R66-N83 WeakPolarHBondContact CB-O 3.49Å; R66-N83 WeakPolarHBondContact CD-O 3.18Å; R66-N83 PolarHBondContact NH1-O 2.86Å; R66-N83 PolarHBondContact O-N 3.48Å; R66-S84 PolarHBondContact NH1-O 3.47Å; R66-D89 IonicContact CZ-OD2 2.82Å; R66-D89 IonicContact NH1-OD2 3.04Å; R66-D89 PolarHBondContact NH1-OD2 2.87Å; R66-D89 IonicContact NH2-OD1 3.41Å; R66-D89 PolarHBondContact NH2-OD1 3.28Å; R66-D89 IonicContact NH2-OD2 3.5Å; R66-D89 PolarHBondContact NH2-OD2 2.89Å
67	L	95.6	Very high	94.9	Very high	9 Å²	9	62.5 Å²	62.5	5%	0.047	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	138.5	-172.7	-169.5	67.9	0	0	0	112.1	L48 Y59 L63 L80 K81 L82	L48-L67 HydrophobicContact CB-CD2 3.99Å; L48-L67 WeakPolarHBondContact O-CD2 3.25Å; Y59-L67 HydrophobicContact CD1-CB 4.46Å; Y59-L67 HydrophobicContact CD1-CD2 3.7Å; Y59-L67 HydrophobicContact CD1-CG 4.04Å; Y59-L67 HydrophobicContact CE1-CD2 4.46Å; Y59-L67 HydrophobicContact CE1-CG 4.38Å; Y59-L67 HydrophobicContact CG-CD2 4.46Å; L63-L67 HydrophobicContact CB-CB 4.22Å; L63-L67 HydrophobicContact CB-CD2 4.36Å; L63-L67 WeakPolarHBondContact O-CB 3.44Å; L63-L67 PolarHBondContact O-N 3.35Å; L67-L80 HydrophobicContact CD1-CD1 3.44Å; L67-L80 VanDerWaalsContact CD1-CD1 3.44Å; L67-L80 HydrophobicContact CD1-CG 4.06Å; L67-L80 HydrophobicContact CG-CD1 4.28Å; L67-K81 CarbonylContact C-O 3.45Å; L67-K81 WeakPolarHBondContact CA-O 3.24Å; L67-L82 HydrophobicContact CB-CD1 4.32Å; L67-L82 HydrophobicContact CD1-CB 4.44Å; L67-L82 HydrophobicContact CD1-CD1 4.08Å
68	S	97.1	Very high	95	Very high	52 Å²	52	59.9 Å²	59.9	36%	0.364	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	135.5	169.6	-179.6	0	0	0	0	109.9	K81	S68-K81 PolarHBondContact N-O 2.79Å; S68-K81 PolarHBondContact O-N 2.98Å
69	I	98.3	Very high	95.1	Very high	7 Å²	7	56.1 Å²	56.1	4%	0.036	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	133.1	174.3	-60.6	163.6	0	0	0	108.2	I51 T57 Y59 V78 F79 L80	I51-I69 HydrophobicContact CB-CG2 3.71Å; I51-I69 HydrophobicContact CG2-CG2 3.62Å; T57-I69 HydrophobicContact CG2-CB 4.5Å; Y59-I69 HydrophobicContact CD1-CD1 4.01Å; Y59-I69 HydrophobicContact CD1-CG1 4.42Å; Y59-I69 HydrophobicContact CE1-CB 4.06Å; Y59-I69 HydrophobicContact CE1-CD1 3.83Å; Y59-I69 HydrophobicContact CE1-CG1 3.83Å; Y59-I69 PolarHBondContact OH-N 2.86Å; I69-V78 HydrophobicContact CG2-CG1 4.05Å; I69-F79 WeakPolarHBondContact CA-O 3.15Å; I69-L80 HydrophobicContact CD1-CD1 4.28Å; I69-L80 HydrophobicContact CG1-CD1 3.68Å
70	S	98.4	Very high	95.3	Very high	56 Å²	56	53.9 Å²	53.9	39%	0.392	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	171	175.8	67.7	0	0	0	0	110.8	V78 F79	S70-V78 CarbonylContact O-C 3.54Å; S70-V78 WeakPolarHBondContact O-CA 3.23Å; S70-V78 WeakPolarHBondContact O-CG1 3.49Å; S70-F79 PolarHBondContact N-O 2.94Å; S70-F79 VanDerWaalsContact N-O 3.07Å; S70-F79 PolarHBondContact O-N 2.93Å
71	K	98.3	Very high	95.5	Very high	43 Å²	43	55.7 Å²	55.7	19%	0.187	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	151.9	177.1	70	-176.3	-173.7	178.9	0	112.3	L29 I51 W52 G53 N73 Q77 V78	L29-K71 HydrophobicContact CB-CD 4.47Å; L29-K71 HydrophobicContact CD1-CB 4.47Å; L29-K71 PolarHBondContact O-NZ 2.93Å; I51-K71 HydrophobicContact CD1-CB 4.09Å; I51-K71 HydrophobicContact CD1-CD 3.9Å; I51-K71 HydrophobicContact CD1-CG 3.75Å; I51-K71 HydrophobicContact CG1-CD 4.14Å; W52-K71 PolarHBondContact O-NZ 3.12Å; G53-K71 PolarHBondContact O-NZ 2.9Å; K71-N73 WeakPolarHBondContact CD-OD1 3.3Å; K71-N73 WeakPolarHBondContact CE-OD1 3.2Å; K71-Q77 CarbonylContact C-O 3.57Å; K71-Q77 VanDerWaalsContact CA-O 3.28Å; K71-Q77 WeakPolarHBondContact CA-O 3.32Å; K71-Q77 WeakPolarHBondContact CB-O 3.47Å; K71-V78 HydrophobicContact CB-CG2 4.1Å
72	D	98.1	Very high	95.8	Very high	41 Å²	41	51.1 Å²	51.1	22%	0.219	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	102.5	169.4	-176.4	-17.4	0	0	0	108.1	S74 K75 S76 Q77 F79	D72-S74 PolarHBondContact O-N 3.01Å; D72-S74 WeakPolarHBondContact OD1-CB 3.32Å; D72-S74 PolarHBondContact OD1-N 2.63Å; D72-S74 PolarHBondContact OD1-OG 2.82Å; D72-K75 HydrophobicContact CB-CB 4.34Å; D72-K75 PolarHBondContact O-N 3.08Å; D72-K75 PolarHBondContact OD1-N 3.41Å; D72-K75 WeakPolarHBondContact OD2-CD 3Å; D72-K75 VanDerWaalsContact OD2-CE 3.25Å; D72-K75 WeakPolarHBondContact OD2-CE 3.32Å; D72-K75 WeakPolarHBondContact OD2-CG 3.37Å; D72-K75 IonicContact OD2-NZ 3.28Å; D72-K75 PolarHBondContact OD2-NZ 2.98Å; D72-S76 PolarHBondContact O-N 3.36Å; D72-S76 VanDerWaalsContact O-N 3.08Å; D72-Q77 PolarHBondContact N-O 2.75Å; D72-Q77 PolarHBondContact O-N 3.01Å; D72-F79 HydrophobicContact CB-CE2 3.89Å; D72-F79 HydrophobicContact CB-CZ 4.43Å
73	N	97.5	Very high	96.3	Very high	71 Å²	71	50 Å²	50	38%	0.38	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-32.1	-179.3	-65.4	-20.2	0	0	0	111.8	L29 T30 K71 K75 S76	L29-N73 VanDerWaalsContact CB-OD1 3.31Å; L29-N73 WeakPolarHBondContact CB-OD1 3.49Å; T30-N73 HydrophobicContact CG2-CB 4.42Å; K71-N73 WeakPolarHBondContact CD-OD1 3.3Å; K71-N73 WeakPolarHBondContact CE-OD1 3.2Å; N73-K75 VanDerWaalsContact C-N 3.27Å; N73-K75 PolarHBondContact O-N 3.29Å; N73-S76 PolarHBondContact O-N 3.31Å
74	S	97	Very high	96.7	Very high	105 Å²	105	53 Å²	53	73%	0.734	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-29.9	-178.1	74.6	0	0	0	0	112.2	D72	D72-S74 PolarHBondContact O-N 3.01Å; D72-S74 WeakPolarHBondContact OD1-CB 3.32Å; D72-S74 PolarHBondContact OD1-N 2.63Å; D72-S74 PolarHBondContact OD1-OG 2.82Å
75	K	97.8	Very high	97.1	Very high	126 Å²	126	48.2 Å²	48.2	55%	0.548	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-3.5	177.7	-62.8	-179.6	-169.1	160.5	0	113.6	D72 N73 Q77	D72-K75 HydrophobicContact CB-CB 4.34Å; D72-K75 PolarHBondContact O-N 3.08Å; D72-K75 PolarHBondContact OD1-N 3.41Å; D72-K75 WeakPolarHBondContact OD2-CD 3Å; D72-K75 VanDerWaalsContact OD2-CE 3.25Å; D72-K75 WeakPolarHBondContact OD2-CE 3.32Å; D72-K75 WeakPolarHBondContact OD2-CG 3.37Å; D72-K75 IonicContact OD2-NZ 3.28Å; D72-K75 PolarHBondContact OD2-NZ 2.98Å; N73-K75 VanDerWaalsContact C-N 3.27Å; N73-K75 PolarHBondContact O-N 3.29Å; K75-Q77 VanDerWaalsContact C-N 3.26Å; K75-Q77 HydrophobicContact CB-CB 4.23Å; K75-Q77 HydrophobicContact CB-CG 4.07Å; K75-Q77 PolarHBondContact O-N 2.94Å
76	S	97.9	Very high	97.2	Very high	46 Å²	46	47.2 Å²	47.2	32%	0.322	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	47.1	-170.5	-58	0	0	0	0	111.8	V24 D72 N73	V24-S76 WeakPolarHBondContact CG2-O 3.43Å; V24-S76 PolarHBondContact N-O 2.87Å; V24-S76 WeakPolarHBondContact O-CB 3.35Å; D72-S76 PolarHBondContact O-N 3.36Å; D72-S76 VanDerWaalsContact O-N 3.08Å; N73-S76 PolarHBondContact O-N 3.31Å
77	Q	98.6	Very high	97.2	Very high	45 Å²	45	49.9 Å²	49.9	21%	0.21	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	142.6	-176.5	-76.6	176.5	-18.1	0	0	112.3	T21 C22 T23 K71 D72 K75 F79	T21-Q77 HydrophobicContact CG2-CB 4.23Å; T21-Q77 HydrophobicContact CG2-CG 3.93Å; C22-Q77 CarbonylContact O-C 3.55Å; C22-Q77 WeakPolarHBondContact O-CA 3.25Å; T23-Q77 HydrophobicContact CG2-CG 4.46Å; T23-Q77 PolarHBondContact OG1-NE2 3.32Å; K71-Q77 CarbonylContact C-O 3.57Å; K71-Q77 VanDerWaalsContact CA-O 3.28Å; K71-Q77 WeakPolarHBondContact CA-O 3.32Å; K71-Q77 WeakPolarHBondContact CB-O 3.47Å; D72-Q77 PolarHBondContact N-O 2.75Å; D72-Q77 PolarHBondContact O-N 3.01Å; K75-Q77 VanDerWaalsContact C-N 3.26Å; K75-Q77 HydrophobicContact CB-CB 4.23Å; K75-Q77 HydrophobicContact CB-CG 4.07Å; K75-Q77 PolarHBondContact O-N 2.94Å; Q77-F79 HydrophobicContact CB-CE1 4.21Å; Q77-F79 HydrophobicContact CB-CE2 3.96Å; Q77-F79 HydrophobicContact CB-CZ 3.59Å; Q77-F79 HydrophobicContact CG-CZ 4.5Å
78	V	98.6	Very high	97.2	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	137.7	171.6	-176.4	0	0	0	0	108	C22 L29 V34 W36 I51 I69 S70 K71	C22-V78 HydrophobicContact CB-CB 4.42Å; C22-V78 PolarHBondContact N-O 3.12Å; C22-V78 PolarHBondContact O-N 3.25Å; L29-V78 HydrophobicContact CD1-CG2 3.84Å; L29-V78 HydrophobicContact CD2-CG2 3.69Å; L29-V78 HydrophobicContact CG-CG2 4.45Å; V34-V78 HydrophobicContact CB-CB 4.45Å; V34-V78 HydrophobicContact CB-CG1 4.25Å; V34-V78 HydrophobicContact CB-CG2 3.93Å; V34-V78 HydrophobicContact CG1-CB 4.31Å; V34-V78 HydrophobicContact CG1-CG1 4.21Å; V34-V78 HydrophobicContact CG1-CG2 4.23Å; V34-V78 HydrophobicContact CG2-CG2 3.82Å; W36-V78 HydrophobicContact CZ2-CG1 4.49Å; I51-V78 HydrophobicContact CG2-CG1 3.73Å; I69-V78 HydrophobicContact CG2-CG1 4.05Å; S70-V78 CarbonylContact O-C 3.54Å; S70-V78 WeakPolarHBondContact O-CA 3.23Å; S70-V78 WeakPolarHBondContact O-CG1 3.49Å; K71-V78 HydrophobicContact CB-CG2 4.1Å
79	F	98.6	Very high	97.1	Very high	46 Å²	46	51.8 Å²	51.8	20%	0.202	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	138.3	-175.1	-51.7	-84.8	0	0	0	110.4	I20 T21 I69 S70 D72 Q77	I20-F79 CarbonylContact O-C 3.58Å; I20-F79 WeakPolarHBondContact O-CA 3.4Å; T21-F79 HydrophobicContact CG2-CD1 4Å; T21-F79 HydrophobicContact CG2-CE1 3.65Å; T21-F79 WeakPolarHBondContact OG1-CD1 3.48Å; I69-F79 WeakPolarHBondContact CA-O 3.15Å; S70-F79 PolarHBondContact N-O 2.94Å; S70-F79 VanDerWaalsContact N-O 3.07Å; S70-F79 PolarHBondContact O-N 2.93Å; D72-F79 HydrophobicContact CB-CE2 3.89Å; D72-F79 HydrophobicContact CB-CZ 4.43Å; Q77-F79 HydrophobicContact CB-CE1 4.21Å; Q77-F79 HydrophobicContact CB-CE2 3.96Å; Q77-F79 HydrophobicContact CB-CZ 3.59Å; Q77-F79 HydrophobicContact CG-CZ 4.5Å
80	L	98.4	Very high	97.1	Very high	1 Å²	1	53 Å²	53	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	122.4	167.3	-170.2	70.5	0	0	0	108.1	S19 I20 W36 L48 L67 I69 Y93	S19-L80 CarbonylContact C-O 3.46Å; S19-L80 WeakPolarHBondContact CA-O 3.36Å; I20-L80 HydrophobicContact CB-CB 4.23Å; I20-L80 HydrophobicContact CD1-CD2 4.28Å; I20-L80 PolarHBondContact N-O 2.8Å; I20-L80 PolarHBondContact O-N 3.27Å; W36-L80 HydrophobicContact CB-CD1 3.89Å; W36-L80 HydrophobicContact CB-CD2 4.44Å; W36-L80 HydrophobicContact CD2-CB 3.76Å; W36-L80 HydrophobicContact CD2-CD1 4.05Å; W36-L80 HydrophobicContact CD2-CD2 4.05Å; W36-L80 HydrophobicContact CD2-CG 4.19Å; W36-L80 HydrophobicContact CE3-CB 4.12Å; W36-L80 HydrophobicContact CE3-CD2 3.94Å; W36-L80 HydrophobicContact CG-CB 4.22Å; W36-L80 HydrophobicContact CG-CD1 3.62Å; W36-L80 HydrophobicContact CG-CD2 4.3Å; W36-L80 HydrophobicContact CG-CG 4.28Å; W36-L80 HydrophobicContact CH2-CB 4.15Å; W36-L80 HydrophobicContact CZ2-CB 3.8Å; W36-L80 HydrophobicContact CZ3-CB 4.31Å; L48-L80 HydrophobicContact CD1-CD2 3.88Å; L67-L80 HydrophobicContact CD1-CD1 3.44Å; L67-L80 VanDerWaalsContact CD1-CD1 3.44Å; L67-L80 HydrophobicContact CD1-CG 4.06Å; L67-L80 HydrophobicContact CG-CD1 4.28Å; I69-L80 HydrophobicContact CD1-CD1 4.28Å; I69-L80 HydrophobicContact CG1-CD1 3.68Å; L80-Y93 HydrophobicContact CD2-CD1 3.61Å; L80-Y93 HydrophobicContact CD2-CE1 3.97Å
81	K	97.9	Very high	97.1	Very high	102 Å²	102	50.6 Å²	50.6	44%	0.443	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	128.6	169.2	-169.2	177.7	-175.7	-175.5	0	109.5	L18 L67 S68 N83	L18-K81 VanDerWaalsContact O-CA 3.3Å; L18-K81 WeakPolarHBondContact O-CA 3.44Å; L67-K81 CarbonylContact C-O 3.45Å; L67-K81 WeakPolarHBondContact CA-O 3.24Å; S68-K81 PolarHBondContact N-O 2.79Å; S68-K81 PolarHBondContact O-N 2.98Å; K81-N83 VanDerWaalsContact CE-OD1 3.23Å; K81-N83 WeakPolarHBondContact CE-OD1 3.27Å
82	L	96.3	Very high	97.1	Very high	1 Å²	1	50 Å²	50	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	116.8	174.9	-176.4	63.2	0	0	0	108.7	S17 L18 R66 L67 L85 D89	S17-L82 CarbonylContact C-O 3.59Å; S17-L82 WeakPolarHBondContact CA-O 3.33Å; L18-L82 HydrophobicContact CB-CB 4.29Å; L18-L82 PolarHBondContact N-O 3.27Å; L18-L82 PolarHBondContact O-N 2.99Å; R66-L82 HydrophobicContact CB-CD1 3.78Å; R66-L82 WeakPolarHBondContact O-CA 3.3Å; L67-L82 HydrophobicContact CB-CD1 4.32Å; L67-L82 HydrophobicContact CD1-CB 4.44Å; L67-L82 HydrophobicContact CD1-CD1 4.08Å; L82-L85 HydrophobicContact CB-CD2 4.18Å; L82-L85 HydrophobicContact CD2-CD2 3.62Å; L82-L85 HydrophobicContact CG-CD2 3.82Å; L82-D89 HydrophobicContact CD2-CB 4.04Å
83	N	96.7	Very high	97.1	Very high	50 Å²	50	48.1 Å²	48.1	27%	0.267	26%	0.26	S	S	.	.			trans	-91.4	161.6	-178.5	-57.5	-46.5	0	0	0	111.1	S17 R66 K81 L85	S17-N83 PolarHBondContact OG-OD1 2.86Å; R66-N83 WeakPolarHBondContact CB-O 3.49Å; R66-N83 WeakPolarHBondContact CD-O 3.18Å; R66-N83 PolarHBondContact NH1-O 2.86Å; R66-N83 PolarHBondContact O-N 3.48Å; K81-N83 VanDerWaalsContact CE-OD1 3.23Å; K81-N83 WeakPolarHBondContact CE-OD1 3.27Å; N83-L85 PolarHBondContact O-N 3.07Å
84	S	95.1	Very high	97.2	Very high	70 Å²	70	46.6 Å²	46.6	49%	0.49	25%	0.25	S	C	.	.	S	Bend	trans	49.7	55.4	174.7	-55.6	0	0	0	0	111.8	Q16 R66	Q16-S84 PolarHBondContact O-N 3.38Å; R66-S84 PolarHBondContact NH1-O 3.47Å
85	L	95.5	Very high	97.2	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.016	22%	0.215	C	C	.	.			trans	-56.7	140.8	-176	-73.1	174	0	0	0	112.3	V12 P14 S15 Q16 L18 L82 N83 D89 V118	V12-L85 HydrophobicContact CB-CD1 3.7Å; V12-L85 HydrophobicContact CG1-CD1 3.41Å; V12-L85 VanDerWaalsContact CG1-CD1 3.41Å; V12-L85 HydrophobicContact CG2-CD1 4.32Å; P14-L85 WeakPolarHBondContact CA-O 3.29Å; S15-L85 PolarHBondContact N-O 3.04Å; Q16-L85 WeakPolarHBondContact O-CG 3.33Å; Q16-L85 PolarHBondContact O-N 3.17Å; L18-L85 HydrophobicContact CB-CD1 3.71Å; L18-L85 HydrophobicContact CB-CD2 3.83Å; L18-L85 HydrophobicContact CB-CG 4.13Å; L18-L85 HydrophobicContact CD2-CD2 4.25Å; L82-L85 HydrophobicContact CB-CD2 4.18Å; L82-L85 HydrophobicContact CD2-CD2 3.62Å; L82-L85 HydrophobicContact CG-CD2 3.82Å; N83-L85 PolarHBondContact O-N 3.07Å; L85-D89 HydrophobicContact CD2-CB 3.84Å; L85-V118 HydrophobicContact CB-CG1 4.01Å; L85-V118 HydrophobicContact CB-CG2 4.24Å; L85-V118 HydrophobicContact CD1-CG2 4.05Å; L85-V118 HydrophobicContact CD2-CG2 4.41Å; L85-V118 HydrophobicContact CG-CG2 4.48Å
86	Q	94.9	Very high	97.2	Very high	85 Å²	85	35.6 Å²	35.6	40%	0.397	19%	0.189	S	C	.	.			trans	-114.5	161.5	174.3	-53.7	172.9	-66.9	0	0	109	E88 D89 V118	Q86-E88 HydrophobicContact CB-CG 3.86Å; Q86-E88 VanDerWaalsContact CB-OE1 3.28Å; Q86-E88 WeakPolarHBondContact CB-OE1 3.39Å; Q86-E88 VanDerWaalsContact CB-OE2 3.25Å; Q86-E88 WeakPolarHBondContact CB-OE2 3.45Å; Q86-E88 PolarHBondContact NE2-OE1 3.03Å; Q86-E88 PolarHBondContact O-N 2.99Å; Q86-E88 PolarHBondContact OE1-OE1 3.36Å; Q86-D89 PolarHBondContact N-OD2 2.02Å; Q86-D89 VanDerWaalsContact O-CB 3.28Å; Q86-D89 WeakPolarHBondContact O-CB 3.26Å; Q86-D89 PolarHBondContact O-N 2.82Å; Q86-V118 WeakPolarHBondContact O-CB 3.38Å; Q86-V118 WeakPolarHBondContact O-CG1 3.23Å
87	T	95.3	Very high	97.1	Very high	88 Å²	88	34.6 Å²	34.6	54%	0.54	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-62.7	-30.8	-178.1	48.9	0	0	0	0	111.7	D89 T90	T87-D89 PolarHBondContact O-N 2.87Å; T87-T90 VanDerWaalsContact O-CB 3.3Å; T87-T90 WeakPolarHBondContact O-CB 3Å; T87-T90 PolarHBondContact O-N 2.76Å; T87-T90 VanDerWaalsContact O-N 3.1Å; T87-T90 PolarHBondContact O-OG1 2.8Å
88	E	94	Very high	96.7	Very high	102 Å²	102	33.3 Å²	33.3	48%	0.477	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-63.4	-14.7	171.6	60.7	-95.3	-147.8	0	0	114.8	Q86 T90	Q86-E88 HydrophobicContact CB-CG 3.86Å; Q86-E88 VanDerWaalsContact CB-OE1 3.28Å; Q86-E88 WeakPolarHBondContact CB-OE1 3.39Å; Q86-E88 VanDerWaalsContact CB-OE2 3.25Å; Q86-E88 WeakPolarHBondContact CB-OE2 3.45Å; Q86-E88 PolarHBondContact NE2-OE1 3.03Å; Q86-E88 PolarHBondContact O-N 2.99Å; Q86-E88 PolarHBondContact OE1-OE1 3.36Å; E88-T90 PolarHBondContact O-N 2.83Å
89	D	95.8	Very high	95.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-79.7	-0.7	173.9	-62.4	-41	0	0	0	112.2	R38 R66 L82 L85 Q86 T87 A91 Y93 V118	R38-D89 IonicContact CZ-OD1 2.76Å; R38-D89 IonicContact NH1-OD1 3.24Å; R38-D89 PolarHBondContact NH1-OD1 3.2Å; R66-D89 IonicContact CZ-OD2 2.82Å; R66-D89 IonicContact NH1-OD2 3.04Å; R66-D89 PolarHBondContact NH1-OD2 2.87Å; R66-D89 IonicContact NH2-OD1 3.41Å; R66-D89 PolarHBondContact NH2-OD1 3.28Å; R66-D89 IonicContact NH2-OD2 3.5Å; R66-D89 PolarHBondContact NH2-OD2 2.89Å; L82-D89 HydrophobicContact CD2-CB 4.04Å; L85-D89 HydrophobicContact CD2-CB 3.84Å; Q86-D89 PolarHBondContact N-OD2 2.02Å; Q86-D89 VanDerWaalsContact O-CB 3.28Å; Q86-D89 WeakPolarHBondContact O-CB 3.26Å; Q86-D89 PolarHBondContact O-N 2.82Å; T87-D89 PolarHBondContact O-N 2.87Å; D89-A91 PolarHBondContact O-N 2.9Å; D89-Y93 WeakPolarHBondContact O-CE2 3.43Å; D89-Y93 PolarHBondContact O-OH 2.82Å; D89-V118 HydrophobicContact CB-CG2 4.23Å
90	T	97.8	Very high	94.5	Very high	33 Å²	33	40.8 Å²	40.8	20%	0.202	20%	0.2	C	C	.	.			trans	-63.8	116.2	169.7	-63.9	0	0	0	0	110.5	P41 T87 E88 V116 V118	P41-T90 WeakPolarHBondContact CD-O 3.44Å; P41-T90 HydrophobicContact CG-CG2 4.33Å; T87-T90 VanDerWaalsContact O-CB 3.3Å; T87-T90 WeakPolarHBondContact O-CB 3Å; T87-T90 PolarHBondContact O-N 2.76Å; T87-T90 VanDerWaalsContact O-N 3.1Å; T87-T90 PolarHBondContact O-OG1 2.8Å; E88-T90 PolarHBondContact O-N 2.83Å; T90-V116 WeakPolarHBondContact CA-O 3.43Å; T90-V118 PolarHBondContact OG1-N 2.82Å
91	A	98.1	Very high	92.9	Very high	4 Å²	4	45.3 Å²	45.3	3%	0.033	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	167.2	-176.6	0	0	0	0	0	111.9	R38 Q39 P40 D89 Y93 V116	R38-A91 HydrophobicContact CB-CB 3.86Å; R38-A91 HydrophobicContact CG-CB 4.25Å; Q39-A91 WeakPolarHBondContact O-CA 3.41Å; Q39-A91 WeakPolarHBondContact O-CB 3.24Å; P40-A91 HydrophobicContact CG-CB 4.45Å; D89-A91 PolarHBondContact O-N 2.9Å; A91-Y93 HydrophobicContact CB-CD2 4.25Å; A91-Y93 HydrophobicContact CB-CE2 3.8Å; A91-Y93 WeakPolarHBondContact O-CD2 3.41Å; A91-V116 PolarHBondContact N-O 2.87Å; A91-V116 VanDerWaalsContact N-O 3.12Å; A91-V116 PolarHBondContact O-N 2.8Å
92	T	98.6	Very high	91.4	Very high	32 Å²	32	49.4 Å²	49.4	20%	0.196	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	126.6	157.7	-53.8	0	0	0	0	109	R38 Q39 Y94 T114 S115	R38-T92 CarbonylContact C-O 3.46Å; R38-T92 VanDerWaalsContact CA-O 3.24Å; R38-T92 WeakPolarHBondContact CA-O 3.03Å; Q39-T92 PolarHBondContact N-O 3.3Å; Q39-T92 PolarHBondContact O-N 2.92Å; T92-Y94 HydrophobicContact CG2-CD2 4.5Å; T92-Y94 HydrophobicContact CG2-CE1 3.78Å; T92-Y94 HydrophobicContact CG2-CE2 3.77Å; T92-Y94 WeakPolarHBondContact CG2-OH 3.44Å; T92-Y94 WeakPolarHBondContact O-CE2 3.34Å; T92-T114 WeakPolarHBondContact CA-O 3.49Å; T92-S115 PolarHBondContact OG1-OG 2.94Å; T92-S115 VanDerWaalsContact OG1-OG 3.12Å
93	Y	98.5	Very high	89.9	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	130.5	-178.2	-71.4	-100.1	0	0	0	110.1	L18 I20 R38 L48 L80 D89 A91 G113 T114 V116	L18-Y93 HydrophobicContact CD2-CE1 4.32Å; L18-Y93 HydrophobicContact CD2-CE2 4.13Å; I20-Y93 HydrophobicContact CD1-CD1 3.77Å; I20-Y93 HydrophobicContact CD1-CD2 3.78Å; I20-Y93 HydrophobicContact CD1-CE1 4.49Å; I20-Y93 HydrophobicContact CD1-CG 3.36Å; R38-Y93 HydrophobicContact CB-CD1 3.86Å; R38-Y93 HydrophobicContact CB-CE1 3.89Å; R38-Y93 HydrophobicContact CB-CG 4.28Å; L48-Y93 HydrophobicContact CD1-CD1 3.86Å; L48-Y93 HydrophobicContact CD1-CE1 3.76Å; L80-Y93 HydrophobicContact CD2-CD1 3.61Å; L80-Y93 HydrophobicContact CD2-CE1 3.97Å; D89-Y93 WeakPolarHBondContact O-CE2 3.43Å; D89-Y93 PolarHBondContact O-OH 2.82Å; A91-Y93 HydrophobicContact CB-CD2 4.25Å; A91-Y93 HydrophobicContact CB-CE2 3.8Å; A91-Y93 WeakPolarHBondContact O-CD2 3.41Å; Y93-G113 CarbonylContact O-C 3.59Å; Y93-G113 WeakPolarHBondContact O-CA 3.36Å; Y93-T114 PolarHBondContact N-O 3.3Å; Y93-T114 PolarHBondContact O-N 2.77Å; Y93-V116 HydrophobicContact CD2-CB 4.03Å; Y93-V116 HydrophobicContact CD2-CG2 3.83Å; Y93-V116 HydrophobicContact CE2-CB 3.88Å; Y93-V116 HydrophobicContact CE2-CG2 4.1Å
94	Y	98.6	Very high	88.5	Confident	39 Å²	39	55.9 Å²	55.9	15%	0.153	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	142.1	-178	-52.1	-89.8	0	0	0	109.9	E6 W36 V37 Q39 L45 T92 W110 Q112	E6-Y94 VanDerWaalsContact OE1-CA 3.3Å; E6-Y94 WeakPolarHBondContact OE1-CA 3.37Å; W36-Y94 WeakPolarHBondContact CA-O 3.4Å; V37-Y94 PolarHBondContact N-O 3.45Å; V37-Y94 PolarHBondContact O-N 2.95Å; Q39-Y94 HydrophobicContact CB-CE2 3.86Å; Q39-Y94 PolarHBondContact OE1-OH 2.76Å; L45-Y94 HydrophobicContact CD2-CD2 4.25Å; L45-Y94 HydrophobicContact CD2-CE2 4.09Å; T92-Y94 HydrophobicContact CG2-CD2 4.5Å; T92-Y94 HydrophobicContact CG2-CE1 3.78Å; T92-Y94 HydrophobicContact CG2-CE2 3.77Å; T92-Y94 WeakPolarHBondContact CG2-OH 3.44Å; T92-Y94 WeakPolarHBondContact O-CE2 3.34Å; Y94-W110 HydrophobicContact CG-CE3 4.32Å; Y94-W110 HydrophobicContact CG-CZ3 4.43Å; Y94-Q112 WeakPolarHBondContact CE1-O 3.47Å
95	C	97.9	Very high	87.4	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	140.2	159	59	0	0	0	0	109.9	L4 E6 C22 V34 S35 W36 G111	L4-C95 HydrophobicContact CD2-CB 4.29Å; E6-C95 HydrophobicContact CG-CB 4.48Å; E6-C95 PolarHBondContact OE1-N 3.04Å; E6-C95 PolarHBondContact OE1-SG 3.29Å; C22-C95 HydrophobicContact CB-CB 3.52Å; C22-C95 WeakPolarHBondContact CB-SG 3.4Å; C22-C95 WeakPolarHBondContact SG-CB 3.43Å; C22-C95 CovalentContact SG-SG 2.02Å; C22-C95 PolarHBondContact SG-SG 2.9Å; V34-C95 HydrophobicContact CG1-CB 3.85Å; S35-C95 CarbonylContact O-C 3.45Å; S35-C95 VanDerWaalsContact O-CA 3.32Å; S35-C95 WeakPolarHBondContact O-CA 3.47Å; W36-C95 HydrophobicContact CD2-CB 4.32Å; W36-C95 HydrophobicContact CE3-CB 4.13Å; W36-C95 HydrophobicContact CH2-CB 4.18Å; W36-C95 HydrophobicContact CZ2-CB 4.36Å; W36-C95 HydrophobicContact CZ3-CB 4.06Å; C95-G111 PolarHBondContact O-N 2.71Å
96	A	97.8	Very high	86.8	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	140.6	177.4	0	0	0	0	0	110.3	V34 S35 H98 M107 Y109 W110	V34-A96 CarbonylContact C-O 3.57Å; V34-A96 WeakPolarHBondContact CA-O 3.3Å; S35-A96 PolarHBondContact N-O 2.78Å; S35-A96 PolarHBondContact O-N 3.07Å; A96-H98 PolarHBondContact O-N 3.07Å; A96-M107 HydrophobicContact CB-CB 3.97Å; A96-M107 HydrophobicContact CB-CG 4.21Å; A96-M107 HydrophobicContact CB-SD 4.16Å; A96-Y109 CarbonylContact C-O 3.42Å; A96-Y109 WeakPolarHBondContact CA-O 3.33Å; A96-W110 HydrophobicContact CB-CD2 3.62Å; A96-W110 HydrophobicContact CB-CE3 3.94Å; A96-W110 HydrophobicContact CB-CG 4.01Å; A96-W110 HydrophobicContact CB-CH2 4.4Å; A96-W110 HydrophobicContact CB-CZ2 4.1Å; A96-W110 HydrophobicContact CB-CZ3 4.32Å
97	R	96.2	Very high	86.6	Confident	26 Å²	26	60.5 Å²	60.5	10%	0.098	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	125.8	173.8	-172.9	175.7	80.5	162.3	11.2	108.9	F27 H32 M107 D108 Y109	F27-R97 HydrophobicContact CD1-CG 4.48Å; F27-R97 HydrophobicContact CD2-CG 4.26Å; F27-R97 HydrophobicContact CE1-CB 4.24Å; F27-R97 HydrophobicContact CE1-CG 4.15Å; F27-R97 HydrophobicContact CE2-CG 3.9Å; F27-R97 HydrophobicContact CZ-CB 4.03Å; F27-R97 HydrophobicContact CZ-CG 3.84Å; H32-R97 HydrophobicContact CB-CG 4.5Å; R97-M107 WeakPolarHBondContact O-CA 3.46Å; R97-D108 IonicContact CZ-OD1 3.5Å; R97-D108 IonicContact CZ-OD2 2.63Å; R97-D108 IonicContact NE-OD1 3.47Å; R97-D108 PolarHBondContact NE-OD1 3.36Å; R97-D108 IonicContact NE-OD2 3.61Å; R97-D108 IonicContact NH2-OD1 2.93Å; R97-D108 IonicContact NH2-OD2 3.61Å; R97-D108 PolarHBondContact NH2-OD2 3.32Å; R97-Y109 VanDerWaalsContact CZ-CD2 3.47Å; R97-Y109 VanDerWaalsContact CZ-CE2 3.43Å; R97-Y109 PolarHBondContact N-O 3.04Å; R97-Y109 VanDerWaalsContact NH2-CE2 3.27Å
98	H	90.8	Very high	86.3	Confident	17 Å²	17	59.5 Å²	59.5	8%	0.079	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	107.6	176.4	-171.3	96.6	0	0	0	109	G33 S35 V50 W52 A96 Y105	G33-H98 PolarHBondContact N-O 3.49Å; G33-H98 VanDerWaalsContact N-O 3.17Å; G33-H98 PolarHBondContact O-N 2.95Å; S35-H98 PolarHBondContact OG-ND1 2.88Å; V50-H98 HydrophobicContact CG2-CB 3.82Å; W52-H98 AromaticContact CD1-CD2 3.93Å; W52-H98 AromaticContact NE1-CD2 3.47Å; W52-H98 PolarHBondContact NE1-CD2 2.89Å; W52-H98 AromaticContact NE1-NE2 3.38Å; W52-H98 PolarHBondContact NE1-NE2 3.41Å; A96-H98 PolarHBondContact O-N 3.07Å; H98-Y105 AromaticContact CE1-CD1 3.75Å; H98-Y105 AromaticContact NE2-CD1 3.34Å; H98-Y105 VanDerWaalsContact NE2-CD1 3.34Å; H98-Y105 WeakPolarHBondContact NE2-CD1 3.46Å; H98-Y105 AromaticContact NE2-CE1 3.88Å
99	Y	80.1	Confident	86.4	Confident	73 Å²	73	59.4 Å²	59.4	29%	0.286	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	130.9	-178.7	-175.4	-116.3	0	0	0	110.6	K101 A106	Y99-K101 HydrophobicContact CD1-CB 4.17Å; Y99-K101 HydrophobicContact CE1-CB 3.41Å; Y99-K101 VanDerWaalsContact CE1-CB 3.41Å; Y99-K101 HydrophobicContact CE1-CD 3.94Å; Y99-K101 HydrophobicContact CE1-CG 4.06Å; Y99-K101 WeakPolarHBondContact OH-CD 3.49Å; Y99-K101 WeakPolarHBondContact OH-CG 3.39Å; Y99-A106 PolarHBondContact N-O 3.08Å; Y99-A106 PolarHBondContact O-N 3.18Å
100	Y	70.4	Confident	86.5	Confident	130 Å²	130	64 Å²	64	51%	0.51	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	116.9	174.8	-179.4	-101.8	0	0	0	109.4	Y105	Y100-Y105 AromaticContact CD2-CD1 3.69Å; Y100-Y105 HydrophobicContact CD2-CD1 3.69Å; Y100-Y105 AromaticContact CD2-CE1 3.34Å; Y100-Y105 HydrophobicContact CD2-CE1 3.34Å; Y100-Y105 HydrophobicContact CD2-CE2 4.38Å; Y100-Y105 HydrophobicContact CD2-CG 4.35Å; Y100-Y105 AromaticContact CD2-CZ 3.73Å; Y100-Y105 HydrophobicContact CE2-CD1 4.42Å; Y100-Y105 AromaticContact CE2-CE1 3.82Å; Y100-Y105 HydrophobicContact CE2-CE1 3.82Å; Y100-Y105 HydrophobicContact CE2-CE2 4.19Å; Y100-Y105 AromaticContact CE2-CZ 3.67Å; Y100-Y105 HydrophobicContact CG-CE1 4.31Å
101	K	65.5	Low	86.5	Confident	97 Å²	97	62.8 Å²	62.8	42%	0.422	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	128.3	172.4	-153	-165	-165.6	-179.8	0	109.8	Y99 A103 N104	Y99-K101 HydrophobicContact CD1-CB 4.17Å; Y99-K101 HydrophobicContact CE1-CB 3.41Å; Y99-K101 VanDerWaalsContact CE1-CB 3.41Å; Y99-K101 HydrophobicContact CE1-CD 3.94Å; Y99-K101 HydrophobicContact CE1-CG 4.06Å; Y99-K101 WeakPolarHBondContact OH-CD 3.49Å; Y99-K101 WeakPolarHBondContact OH-CG 3.39Å; K101-A103 PolarHBondContact O-N 3.22Å; K101-N104 PolarHBondContact N-O 3.3Å; K101-N104 PolarHBondContact O-N 3.35Å; K101-N104 VanDerWaalsContact O-N 3.07Å
102	Y	65.1	Low	86.4	Confident	187 Å²	187	70.9 Å²	70.9	73%	0.733	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	51	175.7	-48.5	-63.4	0	0	0	113.7	N104	Y102-N104 PolarHBondContact O-N 2.88Å; Y102-N104 VanDerWaalsContact O-N 3.11Å
103	A	65.5	Low	86.4	Confident	68 Å²	68	70.3 Å²	70.3	56%	0.562	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	5.9	-179.6	0	0	0	0	0	116.4	K101	K101-A103 PolarHBondContact O-N 3.22Å
104	N	66.1	Low	86.4	Confident	119 Å²	119	71.4 Å²	71.4	64%	0.636	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.2	130.9	173	-68.4	-46.4	0	0	0	111	K101 Y102	K101-N104 PolarHBondContact N-O 3.3Å; K101-N104 PolarHBondContact O-N 3.35Å; K101-N104 VanDerWaalsContact O-N 3.07Å; Y102-N104 PolarHBondContact O-N 2.88Å; Y102-N104 VanDerWaalsContact O-N 3.11Å
105	Y	73.8	Confident	86.3	Confident	155 Å²	155	73 Å²	73	61%	0.608	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	121.8	171.4	-62.5	-78.8	0	0	0	108.9	H98 Y100	H98-Y105 AromaticContact CE1-CD1 3.75Å; H98-Y105 AromaticContact NE2-CD1 3.34Å; H98-Y105 VanDerWaalsContact NE2-CD1 3.34Å; H98-Y105 WeakPolarHBondContact NE2-CD1 3.46Å; H98-Y105 AromaticContact NE2-CE1 3.88Å; Y100-Y105 AromaticContact CD2-CD1 3.69Å; Y100-Y105 HydrophobicContact CD2-CD1 3.69Å; Y100-Y105 AromaticContact CD2-CE1 3.34Å; Y100-Y105 HydrophobicContact CD2-CE1 3.34Å; Y100-Y105 HydrophobicContact CD2-CE2 4.38Å; Y100-Y105 HydrophobicContact CD2-CG 4.35Å; Y100-Y105 AromaticContact CD2-CZ 3.73Å; Y100-Y105 HydrophobicContact CE2-CD1 4.42Å; Y100-Y105 AromaticContact CE2-CE1 3.82Å; Y100-Y105 HydrophobicContact CE2-CE1 3.82Å; Y100-Y105 HydrophobicContact CE2-CE2 4.19Å; Y100-Y105 AromaticContact CE2-CZ 3.67Å; Y100-Y105 HydrophobicContact CG-CE1 4.31Å
106	A	81.3	Confident	86.3	Confident	40 Å²	40	73.1 Å²	73.1	33%	0.331	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	141.3	176.6	0	0	0	0	0	111.1	Y99	Y99-A106 PolarHBondContact N-O 3.08Å; Y99-A106 PolarHBondContact O-N 3.18Å
107	M	90.5	Very high	86.4	Confident	61 Å²	61	76.2 Å²	76.2	30%	0.3	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	87	164	-66.5	-176.4	-162.5	0	0	107.9	S35 V37 W47 A96 R97 W110	S35-M107 WeakPolarHBondContact OG-CE 3.35Å; V37-M107 HydrophobicContact CG2-SD 4.02Å; W47-M107 VanDerWaalsContact CD1-CE 3.41Å; W47-M107 HydrophobicContact CG-CE 4.45Å; A96-M107 HydrophobicContact CB-CB 3.97Å; A96-M107 HydrophobicContact CB-CG 4.21Å; A96-M107 HydrophobicContact CB-SD 4.16Å; R97-M107 WeakPolarHBondContact O-CA 3.46Å; M107-W110 HydrophobicContact CB-CZ2 3.71Å; M107-W110 HydrophobicContact CG-CZ2 4.4Å; M107-W110 PolarHBondContact O-NE1 2.82Å; M107-W110 HydrophobicContact SD-CH2 4.09Å; M107-W110 HydrophobicContact SD-CZ2 3.8Å
108	D	90.5	Very high	86.4	Confident	67 Å²	67	75.2 Å²	75.2	36%	0.358	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-22	-165.1	59.8	-14.3	0	0	0	114.4	R97	R97-D108 IonicContact CZ-OD1 3.5Å; R97-D108 IonicContact CZ-OD2 2.63Å; R97-D108 IonicContact NE-OD1 3.47Å; R97-D108 PolarHBondContact NE-OD1 3.36Å; R97-D108 IonicContact NE-OD2 3.61Å; R97-D108 IonicContact NH2-OD1 2.93Å; R97-D108 IonicContact NH2-OD2 3.61Å; R97-D108 PolarHBondContact NH2-OD2 3.32Å
109	Y	95.1	Very high	86.6	Confident	100 Å²	100	76.3 Å²	76.3	39%	0.392	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	131.9	172.3	-62.8	-88.1	0	0	0	110.2	V2 A96 R97	V2-Y109 HydrophobicContact CB-CD1 3.58Å; V2-Y109 HydrophobicContact CB-CD2 4.24Å; V2-Y109 HydrophobicContact CB-CE1 3.7Å; V2-Y109 HydrophobicContact CB-CE2 4.38Å; V2-Y109 HydrophobicContact CB-CG 3.84Å; V2-Y109 HydrophobicContact CG1-CD1 3.63Å; V2-Y109 HydrophobicContact CG1-CD2 3.86Å; V2-Y109 HydrophobicContact CG1-CE1 4.23Å; V2-Y109 HydrophobicContact CG1-CE2 4.47Å; V2-Y109 HydrophobicContact CG1-CG 3.4Å; V2-Y109 VanDerWaalsContact CG1-CG 3.4Å; V2-Y109 HydrophobicContact CG2-CD1 4.36Å; V2-Y109 HydrophobicContact CG2-CD2 4.37Å; V2-Y109 HydrophobicContact CG2-CE1 4.12Å; V2-Y109 HydrophobicContact CG2-CE2 4.17Å; V2-Y109 HydrophobicContact CG2-CG 4.46Å; A96-Y109 CarbonylContact C-O 3.42Å; A96-Y109 WeakPolarHBondContact CA-O 3.33Å; R97-Y109 VanDerWaalsContact CZ-CD2 3.47Å; R97-Y109 VanDerWaalsContact CZ-CE2 3.43Å; R97-Y109 PolarHBondContact N-O 3.04Å; R97-Y109 VanDerWaalsContact NH2-CE2 3.27Å
110	W	97.5	Very high	86.9	Confident	96 Å²	96	78.1 Å²	78.1	36%	0.364	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	145.2	-177	-69.6	70.7	0	0	0	110.5	V37 L45 Y94 A96 M107	V37-W110 HydrophobicContact CB-CH2 4.05Å; V37-W110 HydrophobicContact CB-CZ3 3.81Å; V37-W110 HydrophobicContact CG1-CH2 4.01Å; V37-W110 HydrophobicContact CG1-CZ3 3.95Å; V37-W110 HydrophobicContact CG2-CH2 3.72Å; V37-W110 HydrophobicContact CG2-CZ3 3.92Å; L45-W110 HydrophobicContact CD1-CH2 4.25Å; Y94-W110 HydrophobicContact CG-CE3 4.32Å; Y94-W110 HydrophobicContact CG-CZ3 4.43Å; A96-W110 HydrophobicContact CB-CD2 3.62Å; A96-W110 HydrophobicContact CB-CE3 3.94Å; A96-W110 HydrophobicContact CB-CG 4.01Å; A96-W110 HydrophobicContact CB-CH2 4.4Å; A96-W110 HydrophobicContact CB-CZ2 4.1Å; A96-W110 HydrophobicContact CB-CZ3 4.32Å; M107-W110 HydrophobicContact CB-CZ2 3.71Å; M107-W110 HydrophobicContact CG-CZ2 4.4Å; M107-W110 PolarHBondContact O-NE1 2.82Å; M107-W110 HydrophobicContact SD-CH2 4.09Å; M107-W110 HydrophobicContact SD-CZ2 3.8Å
111	G	97.8	Very high	86.9	Confident	7 Å²	7	77.1 Å²	77.1	7%	0.072	43%	0.432	C	S	.	.			trans	-74.6	169.7	163.8	0	0	0	0	0	111.6	L4 E6 C95 G113	L4-G111 VanDerWaalsContact O-CA 3.24Å; L4-G111 WeakPolarHBondContact O-CA 3.46Å; E6-G111 VanDerWaalsContact OE1-CA 3.25Å; E6-G111 WeakPolarHBondContact OE1-CA 3.31Å; E6-G111 WeakPolarHBondContact OE2-CA 3.28Å; C95-G111 PolarHBondContact O-N 2.71Å; G111-G113 PolarHBondContact O-N 2.8Å
112	Q	96.8	Very high	87.9	Confident	175 Å²	175	76.2 Å²	76.2	82%	0.818	43%	0.433	S	S	*	.			trans	-74.8	-14.3	178.9	-63.5	-62.1	-53.9	0	0	112.1	E6 Y94	E6-Q112 PolarHBondContact OE2-N 3.42Å; Y94-Q112 WeakPolarHBondContact CE1-O 3.47Å
113	G	97.9	Very high	89.1	Confident	20 Å²	20	70.3 Å²	70.3	21%	0.206	42%	0.417	C	S	.	.			trans	86.8	159	-178.9	0	0	0	0	0	113.1	E6 Y93 G111	E6-G113 PolarHBondContact OE2-N 3.41Å; Y93-G113 CarbonylContact O-C 3.59Å; Y93-G113 WeakPolarHBondContact O-CA 3.36Å; G111-G113 PolarHBondContact O-N 2.8Å
114	T	98.3	Very high	90.4	Very high	22 Å²	22	70.4 Å²	70.4	14%	0.135	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	130.3	171	-172.8	0	0	0	0	109.7	E6 I20 T92 Y93	E6-T114 HydrophobicContact CB-CG2 3.76Å; I20-T114 HydrophobicContact CD1-CG2 3.97Å; I20-T114 HydrophobicContact CG1-CG2 4.47Å; I20-T114 HydrophobicContact CG2-CG2 3.65Å; T92-T114 WeakPolarHBondContact CA-O 3.49Å; Y93-T114 PolarHBondContact N-O 3.3Å; Y93-T114 PolarHBondContact O-N 2.77Å
115	S	98.1	Very high	91.9	Very high	74 Å²	74	67.6 Å²	67.6	52%	0.517	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	131.2	177	-64.8	0	0	0	0	110.3	T92	T92-S115 PolarHBondContact OG1-OG 2.94Å; T92-S115 VanDerWaalsContact OG1-OG 3.12Å
116	V	98.1	Very high	93	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.006	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	126.7	175.9	177.2	0	0	0	0	107.8	P9 V12 L18 I20 T90 A91 Y93	P9-V116 WeakPolarHBondContact O-CG2 3.18Å; V12-V116 HydrophobicContact CG2-CG1 4.29Å; L18-V116 HydrophobicContact CD1-CG1 3.9Å; L18-V116 HydrophobicContact CD1-CG2 3.9Å; L18-V116 HydrophobicContact CD2-CG1 4.04Å; L18-V116 HydrophobicContact CD2-CG2 4.27Å; I20-V116 HydrophobicContact CD1-CG2 4.01Å; T90-V116 WeakPolarHBondContact CA-O 3.43Å; A91-V116 PolarHBondContact N-O 2.87Å; A91-V116 VanDerWaalsContact N-O 3.12Å; A91-V116 PolarHBondContact O-N 2.8Å; Y93-V116 HydrophobicContact CD2-CB 4.03Å; Y93-V116 HydrophobicContact CD2-CG2 3.83Å; Y93-V116 HydrophobicContact CE2-CB 3.88Å; Y93-V116 HydrophobicContact CE2-CG2 4.1Å
117	T	97.9	Very high	93.8	Very high	65 Å²	65	63.6 Å²	63.6	40%	0.399	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	131.8	173.3	-54.8	0	0	0	0	109.5	G10 L11 V12	G10-T117 PolarHBondContact O-N 2.99Å; L11-T117 CarbonylContact C-O 3.58Å; L11-T117 WeakPolarHBondContact CA-O 3.41Å; L11-T117 HydrophobicContact CD1-CG2 3.93Å; V12-T117 PolarHBondContact N-O 3.41Å
118	V	97.3	Very high	94	Very high	5 Å²	5	63.8 Å²	63.8	3%	0.03	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	104.9	172.6	-174	0	0	0	0	109.2	V12 P14 L85 Q86 D89 T90	V12-V118 VanDerWaalsContact O-CA 3.25Å; V12-V118 WeakPolarHBondContact O-CA 3.25Å; P14-V118 HydrophobicContact CG-CG1 4.17Å; L85-V118 HydrophobicContact CB-CG1 4.01Å; L85-V118 HydrophobicContact CB-CG2 4.24Å; L85-V118 HydrophobicContact CD1-CG2 4.05Å; L85-V118 HydrophobicContact CD2-CG2 4.41Å; L85-V118 HydrophobicContact CG-CG2 4.48Å; Q86-V118 WeakPolarHBondContact O-CB 3.38Å; Q86-V118 WeakPolarHBondContact O-CG1 3.23Å; D89-V118 HydrophobicContact CB-CG2 4.23Å; T90-V118 PolarHBondContact OG1-N 2.82Å
119	S	94.5	Very high	94.3	Very high	41 Å²	41	63.5 Å²	63.5	29%	0.287	40%	0.395	S	S	.	.			trans	-153.1	152.3	-178.9	-179.1	0	0	0	0	110.4	V12 G121	V12-S119 PolarHBondContact O-N 3.32Å; V12-S119 VanDerWaalsContact O-N 3.12Å; S119-G121 PolarHBondContact O-N 3.47Å; S119-G121 PolarHBondContact OG-N 2.6Å
120	S	87.2	Confident	94.2	Very high	110 Å²	110	60.5 Å²	60.5	77%	0.769	40%	0.395	S	S	*	.			trans	-69.7	-10.3	169.4	48.8	0	0	0	0	113.7
121	G	69.2	Low	93.9	Very high	110 Å²	110	57.3 Å²	57.3	100%	1.134	40%	0.398	S	S	*	.			trans	96.3	0	-154.8	0	0	0	0	0	110.2	S119	S119-G121 PolarHBondContact O-N 3.47Å; S119-G121 PolarHBondContact OG-N 2.6Å

Retrieved 121 of 121 residues in 186.9 ms (Link to these results)

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