A0A077YZP8_TRITR Loading...

PAN2-PAN3 deadenylation complex catalytic subunit PAN2 N-terminal domain-containing protein

AlphaFold DB , UniProt , Accession A0A077YZP8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 169 aa.

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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	44.1	Very low	78.1	Confident	234 Å²	234	145.5 Å²	145.5	100%	1.153	77%	0.767	S	S	*	*				0	112.5	0	-80.1	178.1	-79.4	0	0	105.6	E3	M1-E3 PolarHBondContact O-N 3.2Å
2	Y	56.9	Low	79.3	Confident	236 Å²	236	142.9 Å²	142.9	93%	0.925	76%	0.762	S	S	*	*			trans	-66.3	114	166.2	-75.5	-90.3	0	0	0	105.1	G4	Y2-G4 VanDerWaalsContact C-N 3.34Å; Y2-G4 PolarHBondContact O-N 2.94Å
3	E	64	Low	80.1	Confident	189 Å²	189	135.8 Å²	135.8	88%	0.883	73%	0.727	S	S	*	*			trans	-55.4	108.7	164.6	-73.6	-176.2	159.3	0	0	105.3	M1 E5	M1-E3 PolarHBondContact O-N 3.2Å; E3-E5 PolarHBondContact O-N 3.13Å; E3-E5 VanDerWaalsContact O-N 3.13Å
4	G	74.3	Confident	80.5	Confident	65 Å²	65	135.2 Å²	135.2	67%	0.67	72%	0.722	S	S	*	*			trans	-59.7	121.2	-177.4	0	0	0	0	0	107.3	Y2 S6	Y2-G4 VanDerWaalsContact C-N 3.34Å; Y2-G4 PolarHBondContact O-N 2.94Å; G4-S6 PolarHBondContact O-N 2.91Å
5	E	81.5	Confident	80.5	Confident	181 Å²	181	127.3 Å²	127.3	85%	0.846	68%	0.681	S	S	*	*			trans	-51	111.4	172.6	-66.3	179.8	164.6	0	0	107.8	E3	E3-E5 PolarHBondContact O-N 3.13Å; E3-E5 VanDerWaalsContact O-N 3.13Å
6	S	88.4	Confident	80.1	Confident	111 Å²	111	121.4 Å²	121.4	78%	0.776	65%	0.65	S	S	*	*			trans	-92.2	132.2	178.7	63.5	0	0	0	0	108.7	G4	G4-S6 PolarHBondContact O-N 2.91Å
7	F	86.2	Confident	79.4	Confident	203 Å²	203	117.6 Å²	117.6	89%	0.89	65%	0.646	S	S	*	*			trans	-80.5	134.9	169.5	-60.5	-85	0	0	0	109.6
8	A	89.5	Confident	79.2	Confident	77 Å²	77	112.8 Å²	112.8	64%	0.636	62%	0.622	S	S	*	*			trans	-118.1	139	170.9	0	0	0	0	0	109.1	L10	A8-L10 PolarHBondContact O-N 3.24Å
9	L	91.7	Very high	79.2	Confident	149 Å²	149	112.7 Å²	112.7	78%	0.78	63%	0.627	S	S	*	*			trans	-68.1	116.2	169.9	176.8	64.5	0	0	0	108.7	S11	L9-S11 WeakPolarHBondContact CD1-O 3.25Å
10	L	90.6	Very high	79.7	Confident	120 Å²	120	113.2 Å²	113.2	63%	0.628	63%	0.628	S	S	*	*			trans	-90.6	-42.5	-179.6	-61.9	-178.8	0	0	0	112.8	A8 W50	A8-L10 PolarHBondContact O-N 3.24Å; L10-W50 HydrophobicContact CB-CE3 4.31Å; L10-W50 HydrophobicContact CD1-CB 4.43Å
11	S	92.1	Very high	80.2	Confident	36 Å²	36	112.5 Å²	112.5	25%	0.252	62%	0.617	S	S	.	*			trans	-156.5	157.8	-179.2	-170.3	0	0	0	0	110.8	L9 W50 L51	L9-S11 WeakPolarHBondContact CD1-O 3.25Å; S11-W50 VanDerWaalsContact CB-O 3.25Å; S11-W50 WeakPolarHBondContact CB-O 3.4Å; S11-L51 PolarHBondContact OG-O 3.2Å; S11-L51 VanDerWaalsContact OG-O 3.09Å
12	T	92.5	Very high	82.6	Confident	114 Å²	114	102.9 Å²	102.9	70%	0.699	58%	0.577	S	S	*	*			trans	-144.5	143.7	171.1	-173.9	0	0	0	0	108.8
13	V	90	Very high	84.4	Confident	51 Å²	51	95.2 Å²	95.2	31%	0.309	56%	0.555	S	S	.	*			trans	-134.5	147.3	179	-65.1	0	0	0	0	109.9	Y47 L52	V13-Y47 HydrophobicContact CB-CE1 4.35Å; V13-Y47 HydrophobicContact CG2-CD1 4.32Å; V13-Y47 HydrophobicContact CG2-CE1 3.82Å; V13-Y47 HydrophobicContact CG2-CE2 4.2Å; V13-L52 HydrophobicContact CG1-CB 3.63Å; V13-L52 HydrophobicContact CG1-CD1 4.1Å; V13-L52 HydrophobicContact CG2-CB 4.27Å; V13-L52 HydrophobicContact CG2-CD1 3.92Å
14	L	85.2	Confident	86	Confident	127 Å²	127	88 Å²	88	67%	0.665	53%	0.525	S	S	*	.			trans	-79	118	163.9	-67	172	0	0	0	107.4	G17	L14-G17 PolarHBondContact O-N 3.26Å
15	V	80.3	Confident	87.1	Confident	16 Å²	16	85.8 Å²	85.8	10%	0.097	50%	0.499	C	S	.	.	S	Bend	trans	-62.5	138.1	177.9	174.7	0	0	0	0	109.4	G17 V23 A37 Y47	V15-G17 PolarHBondContact O-N 3.43Å; V15-V23 HydrophobicContact CB-CG2 3.74Å; V15-V23 HydrophobicContact CG1-CG2 4.42Å; V15-V23 HydrophobicContact CG2-CG2 3.35Å; V15-A37 HydrophobicContact CG1-CB 4.2Å; V15-A37 HydrophobicContact CG2-CB 3.75Å; V15-Y47 WeakPolarHBondContact CA-OH 3.42Å
16	D	73.9	Confident	87.9	Confident	34 Å²	34	81.1 Å²	81.1	18%	0.182	48%	0.483	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	-17	-174.6	73.5	45.5	0	0	0	117.1	S18 N39	D16-S18 VanDerWaalsContact OD1-CA 3.31Å; D16-S18 WeakPolarHBondContact OD1-CA 3.42Å; D16-S18 WeakPolarHBondContact OD1-CB 3.34Å; D16-S18 PolarHBondContact OD1-N 3.3Å; D16-N39 PolarHBondContact OD2-ND2 3.09Å
17	G	68.7	Low	88.3	Confident	57 Å²	57	77 Å²	77	59%	0.588	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.2	0.3	-177.2	0	0	0	0	0	113.9	L14 V15	L14-G17 PolarHBondContact O-N 3.26Å; V15-G17 PolarHBondContact O-N 3.43Å
18	S	76.5	Confident	88.9	Confident	31 Å²	31	75 Å²	75	22%	0.217	45%	0.447	C	S	.	.			trans	-109.4	136.7	174.5	-175.6	0	0	0	0	111.1	D16 D20	D16-S18 VanDerWaalsContact OD1-CA 3.31Å; D16-S18 WeakPolarHBondContact OD1-CA 3.42Å; D16-S18 WeakPolarHBondContact OD1-CB 3.34Å; D16-S18 PolarHBondContact OD1-N 3.3Å; S18-D20 PolarHBondContact O-N 3.11Å; S18-D20 WeakPolarHBondContact OG-CB 3.25Å; S18-D20 PolarHBondContact OG-N 2.81Å; S18-D20 VanDerWaalsContact OG-N 3.11Å; S18-D20 PolarHBondContact OG-OD2 3Å
19	P	78.3	Confident	89.3	Confident	110 Å²	110	71.9 Å²	71.9	71%	0.714	42%	0.419	S	S	*	.	S	Bend	trans	-79.9	-2.3	170.1	35.5	-35.8	0	0	0	113.1	Y21	P19-Y21 VanDerWaalsContact C-N 3.28Å; P19-Y21 PolarHBondContact O-N 3.23Å
20	D	88.9	Confident	89.5	Confident	122 Å²	122	72.3 Å²	72.3	65%	0.652	42%	0.417	S	S	*	.	S	Bend	trans	-71.9	-21.5	-168.2	-61.5	-30.6	0	0	0	113.3	S18	S18-D20 PolarHBondContact O-N 3.11Å; S18-D20 WeakPolarHBondContact OG-CB 3.25Å; S18-D20 PolarHBondContact OG-N 2.81Å; S18-D20 VanDerWaalsContact OG-N 3.11Å; S18-D20 PolarHBondContact OG-OD2 3Å
21	Y	91.2	Very high	89.8	Confident	100 Å²	100	71.5 Å²	71.5	39%	0.392	41%	0.409	S	S	.	.	S	Bend	trans	-131.7	129.9	-175.1	-56.9	-69.5	0	0	0	112	P19 N41	P19-Y21 VanDerWaalsContact C-N 3.28Å; P19-Y21 PolarHBondContact O-N 3.23Å; Y21-N41 HydrophobicContact CD1-CB 3.56Å; Y21-N41 HydrophobicContact CD2-CB 3.6Å; Y21-N41 HydrophobicContact CE1-CB 3.64Å; Y21-N41 HydrophobicContact CE2-CB 3.71Å; Y21-N41 HydrophobicContact CG-CB 3.51Å; Y21-N41 PolarHBondContact OH-OD1 3.32Å
22	G	93.8	Very high	90.1	Very high	31 Å²	31	75 Å²	75	32%	0.32	42%	0.421	S	S	.	.			trans	-70.5	149.1	177.7	0	0	0	0	0	112.6	S24 N39 Q40	G22-S24 PolarHBondContact O-N 3.43Å; G22-N39 CarbonylContact O-C 3.57Å; G22-N39 VanDerWaalsContact O-CA 3.25Å; G22-N39 WeakPolarHBondContact O-CA 3.11Å; G22-N39 VanDerWaalsContact O-CB 3.31Å; G22-N39 WeakPolarHBondContact O-CB 3.37Å; G22-Q40 VanDerWaalsContact N-OE1 3.1Å; G22-Q40 WeakPolarHBondContact O-CG 3.38Å; G22-Q40 PolarHBondContact O-N 2.75Å
23	V	95.7	Very high	90.3	Very high	75 Å²	75	76 Å²	76	46%	0.455	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	123.4	168.5	-175.3	0	0	0	0	108.7	V15 V26 A37	V15-V23 HydrophobicContact CB-CG2 3.74Å; V15-V23 HydrophobicContact CG1-CG2 4.42Å; V15-V23 HydrophobicContact CG2-CG2 3.35Å; V23-V26 HydrophobicContact CG1-CG2 3.53Å; V23-A37 HydrophobicContact CG1-CB 4.41Å
24	S	96.8	Very high	90.6	Very high	37 Å²	37	74.1 Å²	74.1	26%	0.259	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	-26.3	-175.6	54.2	0	0	0	0	112.9	G22 G38 N39 E65 L66	G22-S24 PolarHBondContact O-N 3.43Å; S24-G38 PolarHBondContact N-O 2.68Å; S24-G38 PolarHBondContact OG-O 2.77Å; S24-N39 WeakPolarHBondContact OG-CA 3.31Å; S24-N39 PolarHBondContact OG-O 3.33Å; S24-E65 WeakPolarHBondContact CB-OE1 3.24Å; S24-L66 VanDerWaalsContact CB-O 3.3Å; S24-L66 WeakPolarHBondContact CB-O 3.46Å; S24-L66 PolarHBondContact OG-O 2.92Å
25	V	97.9	Very high	91.2	Very high	19 Å²	19	69.7 Å²	69.7	12%	0.115	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	140	178.1	63.7	0	0	0	0	110.6	A37 G38 L66 L69	V25-A37 CarbonylContact O-C 3.59Å; V25-A37 WeakPolarHBondContact O-CA 3.41Å; V25-G38 PolarHBondContact N-O 2.8Å; V25-G38 PolarHBondContact O-N 3.4Å; V25-L66 HydrophobicContact CG1-CB 3.8Å; V25-L66 WeakPolarHBondContact CG1-O 3.37Å; V25-L69 HydrophobicContact CG1-CD1 4.16Å; V25-L69 HydrophobicContact CG1-CG 4.07Å; V25-L69 HydrophobicContact CG2-CD1 4.28Å; V25-L69 HydrophobicContact CG2-CG 4.01Å
26	V	97.3	Very high	92.1	Very high	84 Å²	84	69 Å²	69	51%	0.509	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	132.7	171.9	179.2	0	0	0	0	108.5	V23 L35 W36 A37	V23-V26 HydrophobicContact CG1-CG2 3.53Å; V26-L35 HydrophobicContact CG1-CD1 3.55Å; V26-L35 HydrophobicContact CG1-CD2 4.25Å; V26-L35 HydrophobicContact CG1-CG 4Å; V26-W36 CarbonylContact C-O 3.57Å; V26-W36 VanDerWaalsContact CA-O 3.24Å; V26-W36 WeakPolarHBondContact CA-O 3.44Å; V26-A37 HydrophobicContact CG2-CB 4.27Å
27	A	97.7	Very high	93.2	Very high	25 Å²	25	67.5 Å²	67.5	21%	0.207	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	145.1	178.1	0	0	0	0	0	111.9	W36 L69 F71	A27-W36 PolarHBondContact N-O 2.85Å; A27-W36 PolarHBondContact O-N 2.88Å; A27-L69 HydrophobicContact CB-CB 4.27Å; A27-L69 HydrophobicContact CB-CD1 4.26Å; A27-F71 HydrophobicContact CB-CE2 3.67Å; A27-F71 HydrophobicContact CB-CZ 3.84Å
28	F	97.8	Very high	94.6	Very high	160 Å²	160	64.8 Å²	64.8	70%	0.702	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.8	135.3	172.2	-73.7	-80.1	0	0	0	110.2	L35 F71	F28-L35 HydrophobicContact CD1-CB 4.43Å; F28-L35 HydrophobicContact CD1-CD1 3.83Å; F28-L35 HydrophobicContact CD2-CD1 4.15Å; F28-L35 HydrophobicContact CE1-CB 4.36Å; F28-L35 HydrophobicContact CE1-CD1 3.77Å; F28-L35 HydrophobicContact CE2-CD1 4.09Å; F28-L35 HydrophobicContact CG-CD1 4.03Å; F28-L35 HydrophobicContact CZ-CD1 3.9Å; F28-F71 VanDerWaalsContact O-CD2 3.31Å; F28-F71 WeakPolarHBondContact O-CD2 3.35Å; F28-F71 WeakPolarHBondContact O-CE2 3.44Å
29	D	98.3	Very high	95.5	Very high	12 Å²	12	63.4 Å²	63.4	6%	0.064	33%	0.333	C	S	.	.			trans	-71.3	128.3	173.3	-160.1	-48.1	0	0	0	110.2	F31 E32 L34 W36 F71 R89	D29-F31 VanDerWaalsContact C-N 3.26Å; D29-F31 PolarHBondContact O-N 2.97Å; D29-F31 PolarHBondContact OD1-N 2.8Å; D29-E32 HydrophobicContact CB-CB 4.49Å; D29-E32 VanDerWaalsContact O-O 3.14Å; D29-E32 PolarHBondContact OD1-N 2.97Å; D29-L34 HydrophobicContact CB-CB 4Å; D29-L34 WeakPolarHBondContact CB-O 3.44Å; D29-L34 PolarHBondContact N-O 2.84Å; D29-W36 PolarHBondContact OD2-NE1 2.74Å; D29-F71 HydrophobicContact CB-CD1 4.08Å; D29-F71 HydrophobicContact CB-CE1 4.15Å; D29-F71 HydrophobicContact CB-CG 4.46Å; D29-R89 IonicContact OD1-CZ 3.57Å; D29-R89 IonicContact OD1-NE 2.75Å; D29-R89 PolarHBondContact OD1-NE 3.07Å; D29-R89 IonicContact OD1-NH2 3.2Å; D29-R89 PolarHBondContact OD1-NH2 2.85Å; D29-R89 IonicContact OD2-CZ 2.76Å; D29-R89 IonicContact OD2-NE 3.82Å; D29-R89 PolarHBondContact OD2-NE 2.69Å; D29-R89 IonicContact OD2-NH2 3.56Å; D29-R89 PolarHBondContact OD2-NH2 3.48Å
30	E	95.8	Very high	96.4	Very high	158 Å²	158	63.1 Å²	63.1	74%	0.738	32%	0.323	S	S	*	.	S	Bend	trans	-78	-11.5	-179	-66.3	176.8	-131.4	0	0	113.1	F71	E30-F71 HydrophobicContact CB-CB 4.48Å
31	F	97.7	Very high	96.7	Very high	102 Å²	102	59.2 Å²	59.2	45%	0.447	30%	0.301	S	S	.	.	S	Bend	trans	-115.7	-16.8	-174.5	-59.9	-96.3	0	0	0	113.8	D29 F71 R72	D29-F31 VanDerWaalsContact C-N 3.26Å; D29-F31 PolarHBondContact O-N 2.97Å; D29-F31 PolarHBondContact OD1-N 2.8Å; F31-F71 HydrophobicContact CD2-CB 3.99Å; F31-F71 HydrophobicContact CE2-CB 4.11Å; F31-F71 WeakPolarHBondContact CE2-O 3.28Å; F31-R72 VanDerWaalsContact CE2-C 3.41Å
32	E	97	Very high	96.9	Very high	111 Å²	111	54.4 Å²	54.4	52%	0.519	28%	0.283	S	S	.	.	S	Bend	trans	-137.5	157.5	-176.9	-62.9	-67.6	174.2	0	0	110.5	D29 L34	D29-E32 HydrophobicContact CB-CB 4.49Å; D29-E32 VanDerWaalsContact O-O 3.14Å; D29-E32 PolarHBondContact OD1-N 2.97Å; E32-L34 HydrophobicContact CB-CD1 3.93Å; E32-L34 HydrophobicContact CB-CG 4.01Å; E32-L34 PolarHBondContact O-N 2.81Å
33	E	96.5	Very high	97.1	Very high	135 Å²	135	54.4 Å²	54.4	63%	0.631	27%	0.274	S	S	*	.	S	Bend	trans	-76.8	61.7	176.1	-163.8	-174.4	163	0	0	111.6	H48	E33-H48 PolarHBondContact O-CD2 3.45Å; E33-H48 VanDerWaalsContact O-CD2 3.3Å; E33-H48 IonicContact OE2-NE2 3.5Å
34	L	97.8	Very high	97.2	Very high	10 Å²	10	50.8 Å²	50.8	5%	0.052	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	136.5	-174.9	-64.2	175.1	0	0	0	112	D29 E32 W36 Y47 H48 Y55	D29-L34 HydrophobicContact CB-CB 4Å; D29-L34 WeakPolarHBondContact CB-O 3.44Å; D29-L34 PolarHBondContact N-O 2.84Å; E32-L34 HydrophobicContact CB-CD1 3.93Å; E32-L34 HydrophobicContact CB-CG 4.01Å; E32-L34 PolarHBondContact O-N 2.81Å; L34-W36 HydrophobicContact CD1-CZ2 4.28Å; L34-Y47 CarbonylContact C-O 3.6Å; L34-Y47 WeakPolarHBondContact CA-O 3.43Å; L34-H48 HydrophobicContact CD2-CB 4.09Å; L34-Y55 HydrophobicContact CD1-CD1 3.78Å; L34-Y55 HydrophobicContact CD1-CE1 4.02Å; L34-Y55 HydrophobicContact CD2-CD1 3.66Å; L34-Y55 HydrophobicContact CD2-CE1 4.43Å; L34-Y55 HydrophobicContact CD2-CG 3.76Å; L34-Y55 HydrophobicContact CG-CD1 4.39Å
35	L	97.5	Very high	97.2	Very high	35 Å²	35	49 Å²	49	18%	0.183	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	122.2	162.4	-177.9	68.8	0	0	0	108.7	V26 F28 S46 Y47 L52	V26-L35 HydrophobicContact CG1-CD1 3.55Å; V26-L35 HydrophobicContact CG1-CD2 4.25Å; V26-L35 HydrophobicContact CG1-CG 4Å; F28-L35 HydrophobicContact CD1-CB 4.43Å; F28-L35 HydrophobicContact CD1-CD1 3.83Å; F28-L35 HydrophobicContact CD2-CD1 4.15Å; F28-L35 HydrophobicContact CE1-CB 4.36Å; F28-L35 HydrophobicContact CE1-CD1 3.77Å; F28-L35 HydrophobicContact CE2-CD1 4.09Å; F28-L35 HydrophobicContact CG-CD1 4.03Å; F28-L35 HydrophobicContact CZ-CD1 3.9Å; L35-S46 CarbonylContact O-C 3.49Å; L35-S46 WeakPolarHBondContact O-CA 3.45Å; L35-Y47 PolarHBondContact N-O 2.88Å; L35-Y47 PolarHBondContact O-N 2.89Å; L35-L52 HydrophobicContact CD2-CD2 3.77Å
36	W	98.2	Very high	97.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	137.1	176.2	-69.4	84.3	0	0	0	110.8	V26 A27 D29 L34 L44 T45 F58 L69 F71 V76 R89	V26-W36 CarbonylContact C-O 3.57Å; V26-W36 VanDerWaalsContact CA-O 3.24Å; V26-W36 WeakPolarHBondContact CA-O 3.44Å; A27-W36 PolarHBondContact N-O 2.85Å; A27-W36 PolarHBondContact O-N 2.88Å; D29-W36 PolarHBondContact OD2-NE1 2.74Å; L34-W36 HydrophobicContact CD1-CZ2 4.28Å; W36-L44 HydrophobicContact CB-CD1 4.44Å; W36-L44 HydrophobicContact CE3-CD1 3.69Å; W36-L44 HydrophobicContact CE3-CD2 3.63Å; W36-L44 HydrophobicContact CE3-CG 3.42Å; W36-L44 VanDerWaalsContact CE3-CG 3.42Å; W36-L44 HydrophobicContact CZ3-CD1 4.36Å; W36-L44 HydrophobicContact CZ3-CD2 3.55Å; W36-L44 HydrophobicContact CZ3-CG 3.58Å; W36-T45 CarbonylContact C-O 3.55Å; W36-T45 WeakPolarHBondContact CA-O 3.43Å; W36-F58 HydrophobicContact CH2-CE1 4.07Å; W36-F58 HydrophobicContact CH2-CZ 4.2Å; W36-F58 AromaticContact CZ3-CE1 3.89Å; W36-F58 HydrophobicContact CZ3-CE1 3.89Å; W36-F58 AromaticContact CZ3-CZ 3.92Å; W36-F58 HydrophobicContact CZ3-CZ 3.92Å; W36-L69 HydrophobicContact CB-CD1 3.72Å; W36-F71 HydrophobicContact CB-CE1 4.35Å; W36-F71 HydrophobicContact CB-CZ 4.17Å; W36-F71 AromaticContact CD1-CE1 3.26Å; W36-F71 AromaticContact CD1-CZ 3.64Å; W36-F71 HydrophobicContact CD2-CE1 4.34Å; W36-F71 AromaticContact CG-CE1 3.76Å; W36-F71 HydrophobicContact CG-CE1 3.76Å; W36-F71 HydrophobicContact CG-CZ 4.03Å; W36-F71 AromaticContact NE1-CE1 3.55Å; W36-V76 HydrophobicContact CD2-CG2 4.32Å; W36-V76 HydrophobicContact CH2-CG2 3.79Å; W36-V76 HydrophobicContact CZ2-CG2 3.45Å; W36-V76 VanDerWaalsContact CZ2-CG2 3.45Å; W36-V76 HydrophobicContact CZ3-CG2 4.38Å; W36-R89 HydrophobicContact CH2-CB 4.28Å; W36-R89 WeakPolarHBondContact CH2-O 3.36Å; W36-R89 HydrophobicContact CZ2-CB 3.94Å; W36-R89 HydrophobicContact CZ2-CG 3.91Å
37	A	97.6	Very high	97.2	Very high	4 Å²	4	44.5 Å²	44.5	3%	0.033	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	122.3	171.9	0	0	0	0	0	109.6	V15 V23 V25 V26 T45 Y47	V15-A37 HydrophobicContact CG1-CB 4.2Å; V15-A37 HydrophobicContact CG2-CB 3.75Å; V23-A37 HydrophobicContact CG1-CB 4.41Å; V25-A37 CarbonylContact O-C 3.59Å; V25-A37 WeakPolarHBondContact O-CA 3.41Å; V26-A37 HydrophobicContact CG2-CB 4.27Å; A37-T45 PolarHBondContact N-O 3.48Å; A37-T45 PolarHBondContact O-N 2.83Å; A37-Y47 HydrophobicContact CB-CE2 4.06Å
38	G	97.5	Very high	97.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	155.1	171.4	0	0	0	0	0	111.4	S24 V25 H43	S24-G38 PolarHBondContact N-O 2.68Å; S24-G38 PolarHBondContact OG-O 2.77Å; V25-G38 PolarHBondContact N-O 2.8Å; V25-G38 PolarHBondContact O-N 3.4Å; G38-H43 WeakPolarHBondContact CA-O 3.35Å
39	N	96.4	Very high	97	Very high	1 Å²	1	41 Å²	41	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	175	-179.1	78.7	5.7	0	0	0	113.2	D16 G22 S24 N41 G42 H43 L66	D16-N39 PolarHBondContact OD2-ND2 3.09Å; G22-N39 CarbonylContact O-C 3.57Å; G22-N39 VanDerWaalsContact O-CA 3.25Å; G22-N39 WeakPolarHBondContact O-CA 3.11Å; G22-N39 VanDerWaalsContact O-CB 3.31Å; G22-N39 WeakPolarHBondContact O-CB 3.37Å; S24-N39 WeakPolarHBondContact OG-CA 3.31Å; S24-N39 PolarHBondContact OG-O 3.33Å; N39-N41 PolarHBondContact O-N 3.49Å; N39-N41 WeakPolarHBondContact OD1-CA 3.33Å; N39-N41 PolarHBondContact OD1-N 3.44Å; N39-G42 PolarHBondContact O-N 3.11Å; N39-G42 PolarHBondContact OD1-N 3.44Å; N39-G42 VanDerWaalsContact OD1-N 3.07Å; N39-H43 PolarHBondContact N-O 2.69Å; N39-H43 WeakPolarHBondContact ND2-CB 3.48Å; N39-H43 WeakPolarHBondContact OD1-CB 2.96Å; N39-H43 PolarHBondContact OD1-N 2.95Å; N39-L66 PolarHBondContact O-N 2.87Å; N39-L66 VanDerWaalsContact O-N 3.08Å
40	Q	96.3	Very high	96.7	Very high	105 Å²	105	48.5 Å²	48.5	49%	0.491	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-17.7	178.9	-71	173.9	-30.2	0	0	114.9	G22 E65	G22-Q40 VanDerWaalsContact N-OE1 3.1Å; G22-Q40 WeakPolarHBondContact O-CG 3.38Å; G22-Q40 PolarHBondContact O-N 2.75Å; Q40-E65 HydrophobicContact CG-CG 4.39Å; Q40-E65 VanDerWaalsContact O-CA 3.31Å; Q40-E65 WeakPolarHBondContact O-CA 3.49Å; Q40-E65 PolarHBondContact O-N 3.29Å
41	N	95.4	Very high	96.6	Very high	39 Å²	39	45.6 Å²	45.6	21%	0.209	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	1.7	178.2	-163.4	48	0	0	0	113.5	Y21 N39 Q59	Y21-N41 HydrophobicContact CD1-CB 3.56Å; Y21-N41 HydrophobicContact CD2-CB 3.6Å; Y21-N41 HydrophobicContact CE1-CB 3.64Å; Y21-N41 HydrophobicContact CE2-CB 3.71Å; Y21-N41 HydrophobicContact CG-CB 3.51Å; Y21-N41 PolarHBondContact OH-OD1 3.32Å; N39-N41 PolarHBondContact O-N 3.49Å; N39-N41 WeakPolarHBondContact OD1-CA 3.33Å; N39-N41 PolarHBondContact OD1-N 3.44Å; N41-Q59 PolarHBondContact O-NE2 3.41Å
42	G	96.9	Very high	96.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	88	10.8	179.9	0	0	0	0	0	115.2	N39 A60 L61 Q64	N39-G42 PolarHBondContact O-N 3.11Å; N39-G42 PolarHBondContact OD1-N 3.44Å; N39-G42 VanDerWaalsContact OD1-N 3.07Å; G42-A60 PolarHBondContact O-N 3.29Å; G42-L61 WeakPolarHBondContact CA-O 3.31Å; G42-L61 PolarHBondContact O-N 2.87Å; G42-L61 VanDerWaalsContact O-N 3.07Å; G42-Q64 WeakPolarHBondContact CA-O 3.47Å; G42-Q64 PolarHBondContact N-O 3.24Å
43	H	96.7	Very high	96.4	Very high	30 Å²	30	40.3 Å²	40.3	14%	0.139	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	138.2	177.5	-165.7	90.2	0	0	0	110.8	G38 N39 T45 S57 F58 L66	G38-H43 WeakPolarHBondContact CA-O 3.35Å; N39-H43 PolarHBondContact N-O 2.69Å; N39-H43 WeakPolarHBondContact ND2-CB 3.48Å; N39-H43 WeakPolarHBondContact OD1-CB 2.96Å; N39-H43 PolarHBondContact OD1-N 2.95Å; H43-T45 PolarHBondContact CD2-OG1 2.77Å; H43-T45 PolarHBondContact NE2-OG1 3.32Å; H43-S57 PolarHBondContact CE1-OG 2.88Å; H43-S57 PolarHBondContact NE2-OG 3.07Å; H43-F58 PolarHBondContact ND1-O 3.4Å; H43-L66 WeakPolarHBondContact O-CD1 3.31Å
44	L	97.8	Very high	96.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	126.3	-176.1	-174.2	61.7	0	0	0	109.8	W36 S57 F58 A60 L66 L69 V76 V78	W36-L44 HydrophobicContact CB-CD1 4.44Å; W36-L44 HydrophobicContact CE3-CD1 3.69Å; W36-L44 HydrophobicContact CE3-CD2 3.63Å; W36-L44 HydrophobicContact CE3-CG 3.42Å; W36-L44 VanDerWaalsContact CE3-CG 3.42Å; W36-L44 HydrophobicContact CZ3-CD1 4.36Å; W36-L44 HydrophobicContact CZ3-CD2 3.55Å; W36-L44 HydrophobicContact CZ3-CG 3.58Å; L44-S57 WeakPolarHBondContact O-CA 3.48Å; L44-F58 HydrophobicContact CB-CE2 4.29Å; L44-F58 HydrophobicContact CB-CZ 4.47Å; L44-F58 HydrophobicContact CD2-CE2 4.11Å; L44-F58 HydrophobicContact CD2-CZ 3.89Å; L44-F58 HydrophobicContact CG-CZ 4.41Å; L44-F58 PolarHBondContact N-O 2.76Å; L44-F58 PolarHBondContact O-N 3.43Å; L44-A60 HydrophobicContact CB-CB 3.82Å; L44-A60 HydrophobicContact CD2-CB 4.28Å; L44-L66 HydrophobicContact CB-CD1 3.71Å; L44-L66 HydrophobicContact CD1-CD1 3.97Å; L44-L66 HydrophobicContact CG-CD1 4.32Å; L44-L69 HydrophobicContact CD1-CD1 3.96Å; L44-L69 HydrophobicContact CD1-CD2 4.02Å; L44-L69 HydrophobicContact CD2-CD2 4.44Å; L44-V76 HydrophobicContact CD2-CG1 4.28Å; L44-V78 HydrophobicContact CD2-CG2 3.76Å
45	T	97.6	Very high	96.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	137.2	179.7	-56	0	0	0	0	110.6	W36 A37 H43 Y47 K54 T56	W36-T45 CarbonylContact C-O 3.55Å; W36-T45 WeakPolarHBondContact CA-O 3.43Å; A37-T45 PolarHBondContact N-O 3.48Å; A37-T45 PolarHBondContact O-N 2.83Å; H43-T45 PolarHBondContact CD2-OG1 2.77Å; H43-T45 PolarHBondContact NE2-OG1 3.32Å; T45-Y47 HydrophobicContact CG2-CD2 4.37Å; T45-Y47 HydrophobicContact CG2-CE1 3.9Å; T45-Y47 HydrophobicContact CG2-CE2 3.66Å; T45-Y47 WeakPolarHBondContact CG2-OH 3.34Å; T45-K54 HydrophobicContact CG2-CD 4.34Å; T45-K54 HydrophobicContact CG2-CG 3.98Å; T45-T56 CarbonylContact C-O 3.55Å; T45-T56 WeakPolarHBondContact CA-O 3.42Å; T45-T56 WeakPolarHBondContact CG2-O 3.25Å
46	S	97.9	Very high	96.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	147	172.3	65.7	0	0	0	0	111.2	L35 Y55 T56	L35-S46 CarbonylContact O-C 3.49Å; L35-S46 WeakPolarHBondContact O-CA 3.45Å; S46-Y55 PolarHBondContact O-N 2.95Å; S46-T56 PolarHBondContact N-O 3.06Å; S46-T56 PolarHBondContact OG-N 3.38Å; S46-T56 PolarHBondContact OG-O 2.95Å; S46-T56 PolarHBondContact OG-OG1 2.83Å
47	Y	97.3	Very high	96.2	Very high	7 Å²	7	46.6 Å²	46.6	3%	0.027	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	136.7	-179.8	-59.4	-83.1	0	0	0	110.3	V13 V15 L34 L35 A37 T45 L52 S53 K54	V13-Y47 HydrophobicContact CB-CE1 4.35Å; V13-Y47 HydrophobicContact CG2-CD1 4.32Å; V13-Y47 HydrophobicContact CG2-CE1 3.82Å; V13-Y47 HydrophobicContact CG2-CE2 4.2Å; V15-Y47 WeakPolarHBondContact CA-OH 3.42Å; L34-Y47 CarbonylContact C-O 3.6Å; L34-Y47 WeakPolarHBondContact CA-O 3.43Å; L35-Y47 PolarHBondContact N-O 2.88Å; L35-Y47 PolarHBondContact O-N 2.89Å; A37-Y47 HydrophobicContact CB-CE2 4.06Å; T45-Y47 HydrophobicContact CG2-CD2 4.37Å; T45-Y47 HydrophobicContact CG2-CE1 3.9Å; T45-Y47 HydrophobicContact CG2-CE2 3.66Å; T45-Y47 WeakPolarHBondContact CG2-OH 3.34Å; Y47-L52 HydrophobicContact CD1-CB 4.21Å; Y47-L52 VanDerWaalsContact CD1-O 3.25Å; Y47-L52 WeakPolarHBondContact CD1-O 3.42Å; Y47-L52 HydrophobicContact CG-CB 4.29Å; Y47-S53 CarbonylContact C-O 3.55Å; Y47-S53 WeakPolarHBondContact CA-O 3.19Å; Y47-K54 HydrophobicContact CD1-CB 4.24Å; Y47-K54 HydrophobicContact CE1-CB 4.15Å
48	H	96.9	Very high	96.1	Very high	87 Å²	87	47.8 Å²	47.8	40%	0.403	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	134.3	179.7	-179.1	-85.3	0	0	0	111.4	E33 L34 S53	E33-H48 PolarHBondContact O-CD2 3.45Å; E33-H48 VanDerWaalsContact O-CD2 3.3Å; E33-H48 IonicContact OE2-NE2 3.5Å; L34-H48 HydrophobicContact CD2-CB 4.09Å; H48-S53 PolarHBondContact N-O 2.96Å; H48-S53 PolarHBondContact O-N 2.8Å; H48-S53 VanDerWaalsContact O-N 3.11Å
49	G	94.4	Very high	96.1	Very high	24 Å²	24	51.4 Å²	51.4	25%	0.247	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	177.4	174.6	0	0	0	0	0	115	L51 L52	G49-L51 VanDerWaalsContact C-N 3.26Å; G49-L51 PolarHBondContact O-N 3.08Å; G49-L52 PolarHBondContact O-N 2.98Å
50	W	92	Very high	96.1	Very high	170 Å²	170	51.4 Å²	51.4	64%	0.644	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-21.7	-174.8	63.4	-91	0	0	0	114.6	L10 S11 L52	L10-W50 HydrophobicContact CB-CE3 4.31Å; L10-W50 HydrophobicContact CD1-CB 4.43Å; S11-W50 VanDerWaalsContact CB-O 3.25Å; S11-W50 WeakPolarHBondContact CB-O 3.4Å; W50-L52 PolarHBondContact O-N 3.24Å
51	L	94.1	Very high	96.2	Very high	97 Å²	97	47 Å²	47	51%	0.508	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-8.6	173.2	-77.3	173.4	0	0	0	112.9	S11 G49	S11-L51 PolarHBondContact OG-O 3.2Å; S11-L51 VanDerWaalsContact OG-O 3.09Å; G49-L51 VanDerWaalsContact C-N 3.26Å; G49-L51 PolarHBondContact O-N 3.08Å
52	L	95	Very high	96.2	Very high	34 Å²	34	50 Å²	50	18%	0.178	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	50.5	-175.9	-55.4	175.5	0	0	0	112	V13 L35 Y47 G49 W50 K54	V13-L52 HydrophobicContact CG1-CB 3.63Å; V13-L52 HydrophobicContact CG1-CD1 4.1Å; V13-L52 HydrophobicContact CG2-CB 4.27Å; V13-L52 HydrophobicContact CG2-CD1 3.92Å; L35-L52 HydrophobicContact CD2-CD2 3.77Å; Y47-L52 HydrophobicContact CD1-CB 4.21Å; Y47-L52 VanDerWaalsContact CD1-O 3.25Å; Y47-L52 WeakPolarHBondContact CD1-O 3.42Å; Y47-L52 HydrophobicContact CG-CB 4.29Å; G49-L52 PolarHBondContact O-N 2.98Å; W50-L52 PolarHBondContact O-N 3.24Å; L52-K54 PolarHBondContact O-N 3.23Å
53	S	94.9	Very high	95.9	Very high	68 Å²	68	56.5 Å²	56.5	48%	0.476	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	120.4	174.8	-68	0	0	0	0	109.7	Y47 H48 Y55	Y47-S53 CarbonylContact C-O 3.55Å; Y47-S53 WeakPolarHBondContact CA-O 3.19Å; H48-S53 PolarHBondContact N-O 2.96Å; H48-S53 PolarHBondContact O-N 2.8Å; H48-S53 VanDerWaalsContact O-N 3.11Å; S53-Y55 PolarHBondContact O-N 3.44Å
54	K	95.6	Very high	95.9	Very high	112 Å²	112	56.6 Å²	56.6	49%	0.487	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	124.6	179.8	-175.9	179.6	-66.1	-169	0	110.2	T45 Y47 L52	T45-K54 HydrophobicContact CG2-CD 4.34Å; T45-K54 HydrophobicContact CG2-CG 3.98Å; Y47-K54 HydrophobicContact CD1-CB 4.24Å; Y47-K54 HydrophobicContact CE1-CB 4.15Å; L52-K54 PolarHBondContact O-N 3.23Å
55	Y	96	Very high	95.8	Very high	129 Å²	129	59.7 Å²	59.7	51%	0.506	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	-62	179.7	-179	-109.3	0	0	0	111.2	L34 S46 S53	L34-Y55 HydrophobicContact CD1-CD1 3.78Å; L34-Y55 HydrophobicContact CD1-CE1 4.02Å; L34-Y55 HydrophobicContact CD2-CD1 3.66Å; L34-Y55 HydrophobicContact CD2-CE1 4.43Å; L34-Y55 HydrophobicContact CD2-CG 3.76Å; L34-Y55 HydrophobicContact CG-CD1 4.39Å; S46-Y55 PolarHBondContact O-N 2.95Å; S53-Y55 PolarHBondContact O-N 3.44Å
56	T	96.9	Very high	95.9	Very high	22 Å²	22	59.7 Å²	59.7	14%	0.135	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	155.8	173.9	60	0	0	0	0	111.1	T45 S46 R89	T45-T56 CarbonylContact C-O 3.55Å; T45-T56 WeakPolarHBondContact CA-O 3.42Å; T45-T56 WeakPolarHBondContact CG2-O 3.25Å; S46-T56 PolarHBondContact N-O 3.06Å; S46-T56 PolarHBondContact OG-N 3.38Å; S46-T56 PolarHBondContact OG-O 2.95Å; S46-T56 PolarHBondContact OG-OG1 2.83Å; T56-R89 WeakPolarHBondContact CB-O 3.06Å; T56-R89 WeakPolarHBondContact CG2-O 3.35Å; T56-R89 PolarHBondContact OG1-O 3.36Å
57	S	96.7	Very high	95.9	Very high	50 Å²	50	61.6 Å²	61.6	35%	0.35	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	117.4	-174.3	169	0	0	0	0	109.7	H43 L44	H43-S57 PolarHBondContact CE1-OG 2.88Å; H43-S57 PolarHBondContact NE2-OG 3.07Å; L44-S57 WeakPolarHBondContact O-CA 3.48Å
58	F	96.6	Very high	96	Very high	28 Å²	28	62.3 Å²	62.3	12%	0.123	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	160.1	-175.7	55.8	-90.9	0	0	0	112.4	W36 H43 L44 A60 T87 G91	W36-F58 HydrophobicContact CH2-CE1 4.07Å; W36-F58 HydrophobicContact CH2-CZ 4.2Å; W36-F58 AromaticContact CZ3-CE1 3.89Å; W36-F58 HydrophobicContact CZ3-CE1 3.89Å; W36-F58 AromaticContact CZ3-CZ 3.92Å; W36-F58 HydrophobicContact CZ3-CZ 3.92Å; H43-F58 PolarHBondContact ND1-O 3.4Å; L44-F58 HydrophobicContact CB-CE2 4.29Å; L44-F58 HydrophobicContact CB-CZ 4.47Å; L44-F58 HydrophobicContact CD2-CE2 4.11Å; L44-F58 HydrophobicContact CD2-CZ 3.89Å; L44-F58 HydrophobicContact CG-CZ 4.41Å; L44-F58 PolarHBondContact N-O 2.76Å; L44-F58 PolarHBondContact O-N 3.43Å; F58-A60 HydrophobicContact CD2-CB 4.43Å; F58-A60 HydrophobicContact CE2-CB 4.13Å; F58-A60 PolarHBondContact O-N 2.84Å; F58-T87 HydrophobicContact CE2-CG2 4.25Å; F58-G91 VanDerWaalsContact CD1-CA 3.46Å; F58-G91 VanDerWaalsContact CZ-CA 3.47Å
59	Q	96.6	Very high	96	Very high	76 Å²	76	59.2 Å²	59.2	36%	0.355	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	109.5	171.2	-166.7	72.3	24.8	0	0	109.7	N41 L61	N41-Q59 PolarHBondContact O-NE2 3.41Å; Q59-L61 PolarHBondContact NE2-O 2.92Å
60	A	97.8	Very high	96.2	Very high	2 Å²	2	59 Å²	59	2%	0.017	29%	0.294	C	S	.	.			trans	-81.1	-54.4	178.3	0	0	0	0	0	110.6	G42 L44 F58 L66 V78 K85	G42-A60 PolarHBondContact O-N 3.29Å; L44-A60 HydrophobicContact CB-CB 3.82Å; L44-A60 HydrophobicContact CD2-CB 4.28Å; F58-A60 HydrophobicContact CD2-CB 4.43Å; F58-A60 HydrophobicContact CE2-CB 4.13Å; F58-A60 PolarHBondContact O-N 2.84Å; A60-L66 HydrophobicContact CB-CD1 4.08Å; A60-L66 HydrophobicContact CB-CD2 4.34Å; A60-V78 HydrophobicContact CB-CG1 4.14Å; A60-V78 HydrophobicContact CB-CG2 4.32Å; A60-K85 WeakPolarHBondContact O-CD 3.41Å; A60-K85 WeakPolarHBondContact O-CE 3.35Å; A60-K85 PolarHBondContact O-NZ 3.41Å
61	L	97.6	Very high	96.5	Very high	12 Å²	12	51.6 Å²	51.6	6%	0.063	27%	0.266	C	S	.	.	S	Bend	trans	-122.2	142.5	177.8	-61.4	179.9	0	0	0	109.6	G42 Q59 Q64 L66 V78 A83 K85	G42-L61 WeakPolarHBondContact CA-O 3.31Å; G42-L61 PolarHBondContact O-N 2.87Å; G42-L61 VanDerWaalsContact O-N 3.07Å; Q59-L61 PolarHBondContact NE2-O 2.92Å; L61-Q64 HydrophobicContact CB-CB 4.19Å; L61-Q64 HydrophobicContact CD1-CB 4.4Å; L61-L66 HydrophobicContact CB-CD2 3.93Å; L61-L66 HydrophobicContact CD1-CD2 3.71Å; L61-L66 HydrophobicContact CG-CD2 3.8Å; L61-V78 HydrophobicContact CD1-CG1 4.24Å; L61-V78 HydrophobicContact CG-CG1 4.31Å; L61-A83 HydrophobicContact CD1-CB 4.22Å; L61-A83 HydrophobicContact CD2-CB 3.99Å; L61-K85 HydrophobicContact CD2-CB 3.68Å; L61-K85 HydrophobicContact CD2-CD 4.14Å
62	T	95	Very high	96.5	Very high	101 Å²	101	50.1 Å²	50.1	62%	0.62	25%	0.254	S	S	*	.	S	Bend	trans	-88.2	134.6	175.2	-55.1	0	0	0	0	109.5	Q64	T62-Q64 PolarHBondContact O-N 3.21Å; T62-Q64 VanDerWaalsContact O-N 3.08Å
63	D	90.6	Very high	96.5	Very high	138 Å²	138	52.9 Å²	52.9	74%	0.738	28%	0.276	S	S	*	.	S	Bend	trans	54	28	174.3	-56.2	-28.3	0	0	0	115
64	Q	96.3	Very high	96.5	Very high	32 Å²	32	52.7 Å²	52.7	15%	0.15	27%	0.27	C	S	.	.	S	Bend	trans	-137	130.6	176.8	-67	-168.7	52.4	0	0	110.9	G42 L61 T62 R81	G42-Q64 WeakPolarHBondContact CA-O 3.47Å; G42-Q64 PolarHBondContact N-O 3.24Å; L61-Q64 HydrophobicContact CB-CB 4.19Å; L61-Q64 HydrophobicContact CD1-CB 4.4Å; T62-Q64 PolarHBondContact O-N 3.21Å; T62-Q64 VanDerWaalsContact O-N 3.08Å; Q64-R81 VanDerWaalsContact OE1-N 3.13Å
65	E	97.3	Very high	96.7	Very high	64 Å²	64	47.3 Å²	47.3	30%	0.299	25%	0.247	S	C	.	.			trans	-56.5	136.7	168.3	171.6	177.7	-146.3	0	0	111.1	S24 Q40 R67 G80	S24-E65 WeakPolarHBondContact CB-OE1 3.24Å; Q40-E65 HydrophobicContact CG-CG 4.39Å; Q40-E65 VanDerWaalsContact O-CA 3.31Å; Q40-E65 WeakPolarHBondContact O-CA 3.49Å; Q40-E65 PolarHBondContact O-N 3.29Å; E65-R67 HydrophobicContact CG-CG 3.96Å; E65-R67 IonicContact OE2-NE 2.78Å; E65-G80 VanDerWaalsContact O-CA 3.27Å; E65-G80 WeakPolarHBondContact O-CA 3.46Å
66	L	98.3	Very high	96.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.223	C	C	.	.			trans	-81.8	119	170.9	-54.7	-166	0	0	0	109.5	S24 V25 N39 H43 L44 A60 L61 V78	S24-L66 VanDerWaalsContact CB-O 3.3Å; S24-L66 WeakPolarHBondContact CB-O 3.46Å; S24-L66 PolarHBondContact OG-O 2.92Å; V25-L66 HydrophobicContact CG1-CB 3.8Å; V25-L66 WeakPolarHBondContact CG1-O 3.37Å; N39-L66 PolarHBondContact O-N 2.87Å; N39-L66 VanDerWaalsContact O-N 3.08Å; H43-L66 WeakPolarHBondContact O-CD1 3.31Å; L44-L66 HydrophobicContact CB-CD1 3.71Å; L44-L66 HydrophobicContact CD1-CD1 3.97Å; L44-L66 HydrophobicContact CG-CD1 4.32Å; A60-L66 HydrophobicContact CB-CD1 4.08Å; A60-L66 HydrophobicContact CB-CD2 4.34Å; L61-L66 HydrophobicContact CB-CD2 3.93Å; L61-L66 HydrophobicContact CD1-CD2 3.71Å; L61-L66 HydrophobicContact CG-CD2 3.8Å; L66-V78 HydrophobicContact CD1-CG1 4Å; L66-V78 HydrophobicContact CD2-CG1 3.54Å; L66-V78 HydrophobicContact CG-CG1 4.22Å
67	R	98.4	Very high	96.9	Very high	40 Å²	40	40.1 Å²	40.1	15%	0.151	22%	0.216	C	C	.	.			trans	-108.2	-34.5	-170.1	-67.1	-179.5	173	-178	-7.9	113.7	E65 L79 D104 F105	E65-R67 HydrophobicContact CG-CG 3.96Å; E65-R67 IonicContact OE2-NE 2.78Å; R67-L79 PolarHBondContact N-O 2.8Å; R67-D104 IonicContact CZ-OD1 3.15Å; R67-D104 IonicContact NH1-OD1 2.6Å; R67-D104 PolarHBondContact NH1-OD1 2.88Å; R67-D104 IonicContact NH2-OD1 2.82Å; R67-D104 PolarHBondContact NH2-OD1 2.76Å; R67-F105 WeakPolarHBondContact CD-O 3.25Å; R67-F105 PolarHBondContact NH1-O 2.88Å
68	S	98.4	Very high	97	Very high	23 Å²	23	37.8 Å²	37.8	16%	0.161	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	150.6	177.2	-75.9	0	0	0	0	111.7	L79 Q106 C107 F108	S68-L79 PolarHBondContact N-O 2.96Å; S68-L79 PolarHBondContact O-N 2.81Å; S68-Q106 PolarHBondContact OG-O 3.42Å; S68-C107 WeakPolarHBondContact OG-CA 3.45Å; S68-F108 VanDerWaalsContact CB-CE1 3.4Å
69	L	98.6	Very high	97.1	Very high	22 Å²	22	36.4 Å²	36.4	12%	0.115	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	141.5	177.6	-60.5	177.1	0	0	0	109.7	V25 A27 W36 L44 F71 V76 L77 V78 F108	V25-L69 HydrophobicContact CG1-CD1 4.16Å; V25-L69 HydrophobicContact CG1-CG 4.07Å; V25-L69 HydrophobicContact CG2-CD1 4.28Å; V25-L69 HydrophobicContact CG2-CG 4.01Å; A27-L69 HydrophobicContact CB-CB 4.27Å; A27-L69 HydrophobicContact CB-CD1 4.26Å; W36-L69 HydrophobicContact CB-CD1 3.72Å; L44-L69 HydrophobicContact CD1-CD1 3.96Å; L44-L69 HydrophobicContact CD1-CD2 4.02Å; L44-L69 HydrophobicContact CD2-CD2 4.44Å; L69-F71 HydrophobicContact CB-CE2 4.44Å; L69-F71 HydrophobicContact CB-CZ 4.11Å; L69-F71 HydrophobicContact CD1-CZ 4.36Å; L69-V76 HydrophobicContact CD2-CG1 4.19Å; L69-L77 WeakPolarHBondContact CA-O 3.45Å; L69-V78 HydrophobicContact CD2-CB 4.29Å; L69-V78 HydrophobicContact CD2-CG1 4.08Å; L69-V78 HydrophobicContact CD2-CG2 3.93Å; L69-F108 VanDerWaalsContact C-CE1 3.48Å
70	L	97.5	Very high	97.2	Very high	20 Å²	20	32.8 Å²	32.8	11%	0.105	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	131.4	173.6	-177.4	158.9	0	0	0	108.3	R72 L77 F108 V110 I118	L70-R72 HydrophobicContact CD2-CG 3.86Å; L70-L77 HydrophobicContact CB-CB 4.24Å; L70-L77 HydrophobicContact CB-CD2 4.48Å; L70-L77 HydrophobicContact CD2-CB 4.45Å; L70-L77 HydrophobicContact CD2-CD2 4.36Å; L70-L77 PolarHBondContact N-O 3.1Å; L70-L77 WeakPolarHBondContact O-CB 3.29Å; L70-L77 PolarHBondContact O-N 3.5Å; L70-F108 HydrophobicContact CB-CD1 4.44Å; L70-F108 HydrophobicContact CB-CE1 3.64Å; L70-F108 HydrophobicContact CB-CE2 4.11Å; L70-F108 HydrophobicContact CB-CZ 3.45Å; L70-F108 VanDerWaalsContact CB-CZ 3.45Å; L70-V110 HydrophobicContact CD1-CG2 3.73Å; L70-V110 HydrophobicContact CD2-CG2 4.38Å; L70-V110 HydrophobicContact CG-CG2 4.41Å; L70-I118 HydrophobicContact CD1-CG2 4.24Å
71	F	97.7	Very high	97.2	Very high	14 Å²	14	38.1 Å²	38.1	6%	0.061	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	138.6	-174.2	-56.3	-76.9	0	0	0	110.8	A27 F28 D29 E30 F31 W36 L69 V76	A27-F71 HydrophobicContact CB-CE2 3.67Å; A27-F71 HydrophobicContact CB-CZ 3.84Å; F28-F71 VanDerWaalsContact O-CD2 3.31Å; F28-F71 WeakPolarHBondContact O-CD2 3.35Å; F28-F71 WeakPolarHBondContact O-CE2 3.44Å; D29-F71 HydrophobicContact CB-CD1 4.08Å; D29-F71 HydrophobicContact CB-CE1 4.15Å; D29-F71 HydrophobicContact CB-CG 4.46Å; E30-F71 HydrophobicContact CB-CB 4.48Å; F31-F71 HydrophobicContact CD2-CB 3.99Å; F31-F71 HydrophobicContact CE2-CB 4.11Å; F31-F71 WeakPolarHBondContact CE2-O 3.28Å; W36-F71 HydrophobicContact CB-CE1 4.35Å; W36-F71 HydrophobicContact CB-CZ 4.17Å; W36-F71 AromaticContact CD1-CE1 3.26Å; W36-F71 AromaticContact CD1-CZ 3.64Å; W36-F71 HydrophobicContact CD2-CE1 4.34Å; W36-F71 AromaticContact CG-CE1 3.76Å; W36-F71 HydrophobicContact CG-CE1 3.76Å; W36-F71 HydrophobicContact CG-CZ 4.03Å; W36-F71 AromaticContact NE1-CE1 3.55Å; L69-F71 HydrophobicContact CB-CE2 4.44Å; L69-F71 HydrophobicContact CB-CZ 4.11Å; L69-F71 HydrophobicContact CD1-CZ 4.36Å; F71-V76 HydrophobicContact CD1-CB 4.48Å; F71-V76 HydrophobicContact CD1-CG1 4.05Å; F71-V76 HydrophobicContact CD1-CG2 4.03Å; F71-V76 HydrophobicContact CE1-CG1 3.79Å; F71-V76 HydrophobicContact CE1-CG2 4.13Å
72	R	95.2	Very high	97.2	Very high	65 Å²	65	38 Å²	38	25%	0.245	20%	0.196	C	C	.	.			trans	-126.9	163.5	173.5	-65.6	178.1	62.7	-134.9	-17.2	108.7	F31 L70 D74 G75 R89	F31-R72 VanDerWaalsContact CE2-C 3.41Å; L70-R72 HydrophobicContact CD2-CG 3.86Å; R72-D74 WeakPolarHBondContact CB-OD1 3.42Å; R72-D74 IonicContact CZ-OD1 3.49Å; R72-D74 VanDerWaalsContact CZ-OD1 3.26Å; R72-D74 IonicContact CZ-OD2 3.2Å; R72-D74 IonicContact NE-OD1 3.44Å; R72-D74 IonicContact NH1-OD1 2.65Å; R72-D74 PolarHBondContact NH1-OD1 3.39Å; R72-D74 IonicContact NH1-OD2 3.45Å; R72-D74 PolarHBondContact NH1-OD2 2.96Å; R72-D74 IonicContact NH2-OD1 3.74Å; R72-D74 PolarHBondContact NH2-OD1 2.88Å; R72-D74 IonicContact NH2-OD2 3.26Å; R72-D74 PolarHBondContact NH2-OD2 2.96Å; R72-D74 PolarHBondContact O-N 3.47Å; R72-G75 PolarHBondContact N-O 3.12Å; R72-G75 PolarHBondContact O-N 3.42Å; R72-R89 PolarHBondContact O-NH1 2.71Å; R72-R89 PolarHBondContact O-NH2 2.99Å
73	S	95.7	Very high	97.3	Very high	93 Å²	93	33.2 Å²	33.2	65%	0.65	17%	0.167	S	C	*	.	S	Bend	trans	-60	-33.6	175.6	53.4	0	0	0	0	111.9	R89	S73-R89 PolarHBondContact O-NH1 2.91Å
74	D	94.9	Very high	97.7	Very high	63 Å²	63	26.7 Å²	26.7	34%	0.337	13%	0.132	S	C	.	.	S	Bend	trans	-84.7	-18.8	179.4	58.8	-3.5	0	0	0	114.1	R72 M94	R72-D74 WeakPolarHBondContact CB-OD1 3.42Å; R72-D74 IonicContact CZ-OD1 3.49Å; R72-D74 VanDerWaalsContact CZ-OD1 3.26Å; R72-D74 IonicContact CZ-OD2 3.2Å; R72-D74 IonicContact NE-OD1 3.44Å; R72-D74 IonicContact NH1-OD1 2.65Å; R72-D74 PolarHBondContact NH1-OD1 3.39Å; R72-D74 IonicContact NH1-OD2 3.45Å; R72-D74 PolarHBondContact NH1-OD2 2.96Å; R72-D74 IonicContact NH2-OD1 3.74Å; R72-D74 PolarHBondContact NH2-OD1 2.88Å; R72-D74 IonicContact NH2-OD2 3.26Å; R72-D74 PolarHBondContact NH2-OD2 2.96Å; R72-D74 PolarHBondContact O-N 3.47Å; D74-M94 HydrophobicContact CB-CE 4.38Å; D74-M94 HydrophobicContact CB-SD 4.34Å; D74-M94 WeakPolarHBondContact O-CE 3.26Å
75	G	97.9	Very high	97.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.132	C	C	.	.			trans	169.2	-156.1	178.1	0	0	0	0	0	116.3	R72 T87	R72-G75 PolarHBondContact N-O 3.12Å; R72-G75 PolarHBondContact O-N 3.42Å; G75-T87 CarbonylContact C-O 3.58Å; G75-T87 VanDerWaalsContact CA-O 3.29Å; G75-T87 WeakPolarHBondContact CA-O 3.48Å
76	V	98.6	Very high	97.9	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	121.7	-178	-170.2	0	0	0	0	108.9	W36 L44 L69 F71 V78 T87 R89	W36-V76 HydrophobicContact CD2-CG2 4.32Å; W36-V76 HydrophobicContact CH2-CG2 3.79Å; W36-V76 HydrophobicContact CZ2-CG2 3.45Å; W36-V76 VanDerWaalsContact CZ2-CG2 3.45Å; W36-V76 HydrophobicContact CZ3-CG2 4.38Å; L44-V76 HydrophobicContact CD2-CG1 4.28Å; L69-V76 HydrophobicContact CD2-CG1 4.19Å; F71-V76 HydrophobicContact CD1-CB 4.48Å; F71-V76 HydrophobicContact CD1-CG1 4.05Å; F71-V76 HydrophobicContact CD1-CG2 4.03Å; F71-V76 HydrophobicContact CE1-CG1 3.79Å; F71-V76 HydrophobicContact CE1-CG2 4.13Å; V76-V78 HydrophobicContact CG1-CG2 4.12Å; V76-T87 PolarHBondContact N-O 3.07Å; V76-T87 PolarHBondContact O-N 2.62Å; V76-R89 HydrophobicContact CG2-CG 4.09Å
77	L	98.5	Very high	97.9	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	128.5	171.8	-166.8	72	0	0	0	108.7	L69 L70 L84 K85 L86 F95 F108 I118 L132	L69-L77 WeakPolarHBondContact CA-O 3.45Å; L70-L77 HydrophobicContact CB-CB 4.24Å; L70-L77 HydrophobicContact CB-CD2 4.48Å; L70-L77 HydrophobicContact CD2-CB 4.45Å; L70-L77 HydrophobicContact CD2-CD2 4.36Å; L70-L77 PolarHBondContact N-O 3.1Å; L70-L77 WeakPolarHBondContact O-CB 3.29Å; L70-L77 PolarHBondContact O-N 3.5Å; L77-L84 HydrophobicContact CD1-CD1 3.85Å; L77-L84 HydrophobicContact CD1-CD2 4.38Å; L77-L84 HydrophobicContact CD1-CG 4Å; L77-L84 HydrophobicContact CD2-CD1 4Å; L77-L84 HydrophobicContact CG-CD1 3.71Å; L77-L84 HydrophobicContact CG-CG 4.41Å; L77-K85 CarbonylContact C-O 3.59Å; L77-K85 WeakPolarHBondContact CA-O 3.45Å; L77-L86 HydrophobicContact CB-CD1 4.16Å; L77-L86 HydrophobicContact CD1-CB 3.8Å; L77-L86 HydrophobicContact CD1-CD1 4.1Å; L77-F95 HydrophobicContact CD1-CE1 4.15Å; L77-F95 HydrophobicContact CD1-CE2 4.48Å; L77-F95 HydrophobicContact CD1-CZ 3.64Å; L77-F108 HydrophobicContact CB-CE2 4.38Å; L77-F108 HydrophobicContact CB-CZ 4.49Å; L77-F108 HydrophobicContact CD2-CD2 4.2Å; L77-F108 HydrophobicContact CD2-CE2 3.53Å; L77-F108 HydrophobicContact CD2-CZ 4.31Å; L77-F108 HydrophobicContact CG-CE2 3.78Å; L77-F108 HydrophobicContact CG-CZ 4.34Å; L77-I118 HydrophobicContact CD2-CD1 3.7Å; L77-I118 HydrophobicContact CD2-CG2 4.41Å; L77-L132 HydrophobicContact CD1-CD2 4.17Å; L77-L132 HydrophobicContact CD2-CD2 3.82Å
78	V	98.8	Very high	97.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	124.2	-170.2	-175	0	0	0	0	108.8	L44 A60 L61 L66 L69 V76 L84 K85	L44-V78 HydrophobicContact CD2-CG2 3.76Å; A60-V78 HydrophobicContact CB-CG1 4.14Å; A60-V78 HydrophobicContact CB-CG2 4.32Å; L61-V78 HydrophobicContact CD1-CG1 4.24Å; L61-V78 HydrophobicContact CG-CG1 4.31Å; L66-V78 HydrophobicContact CD1-CG1 4Å; L66-V78 HydrophobicContact CD2-CG1 3.54Å; L66-V78 HydrophobicContact CG-CG1 4.22Å; L69-V78 HydrophobicContact CD2-CB 4.29Å; L69-V78 HydrophobicContact CD2-CG1 4.08Å; L69-V78 HydrophobicContact CD2-CG2 3.93Å; V76-V78 HydrophobicContact CG1-CG2 4.12Å; V78-L84 WeakPolarHBondContact O-CA 3.41Å; V78-K85 PolarHBondContact N-O 2.95Å; V78-K85 PolarHBondContact O-N 2.91Å
79	L	98.8	Very high	97.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	126.8	176.6	-177.6	67	0	0	0	110.1	R67 S68 L84 F105 F108 I120	R67-L79 PolarHBondContact N-O 2.8Å; S68-L79 PolarHBondContact N-O 2.96Å; S68-L79 PolarHBondContact O-N 2.81Å; L79-L84 HydrophobicContact CD1-CD1 4.32Å; L79-F105 HydrophobicContact CD1-CB 4.03Å; L79-F105 HydrophobicContact CD1-CD2 4.37Å; L79-F105 HydrophobicContact CD1-CG 4.41Å; L79-F105 HydrophobicContact CD2-CB 4.11Å; L79-F105 HydrophobicContact CG-CB 4.25Å; L79-F108 HydrophobicContact CB-CD2 4.13Å; L79-F108 HydrophobicContact CB-CE1 4.33Å; L79-F108 HydrophobicContact CB-CE2 3.9Å; L79-F108 HydrophobicContact CB-CG 4.45Å; L79-F108 HydrophobicContact CB-CZ 4.01Å; L79-F108 HydrophobicContact CD2-CB 4.08Å; L79-F108 HydrophobicContact CD2-CD1 4.22Å; L79-F108 HydrophobicContact CD2-CD2 4.21Å; L79-F108 HydrophobicContact CD2-CG 3.92Å; L79-I120 HydrophobicContact CD1-CG2 3.78Å; L79-I120 HydrophobicContact CD2-CG2 3.81Å; L79-I120 HydrophobicContact CG-CG2 4.47Å
80	G	98.5	Very high	97.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.137	C	C	.	.			trans	-104.1	-160.2	165.9	0	0	0	0	0	111.6	E65 A83	E65-G80 VanDerWaalsContact O-CA 3.27Å; E65-G80 WeakPolarHBondContact O-CA 3.46Å; G80-A83 PolarHBondContact N-O 3.29Å
81	R	98	Very high	97.8	Very high	114 Å²	114	27.7 Å²	27.7	43%	0.43	14%	0.141	S	C	.	.	S	Bend	trans	-63	-46.7	178.1	179	-175.8	164.4	-172.9	-6.1	112.7	Q64 D101 F103 F105	Q64-R81 VanDerWaalsContact OE1-N 3.13Å; R81-D101 PolarHBondContact NH2-O 2.98Å; R81-F103 PolarHBondContact NE-O 2.81Å; R81-F105 WeakPolarHBondContact O-CD2 3.09Å; R81-F105 PolarHBondContact O-N 3.49Å
82	S	97.6	Very high	97.8	Very high	8 Å²	8	32.8 Å²	32.8	6%	0.056	17%	0.169	C	C	.	.	S	Bend	trans	-140.9	17.8	-176.6	57.4	0	0	0	0	111.8	N98 F99	S82-N98 CarbonylContact O-C 3.45Å; S82-N98 WeakPolarHBondContact O-CA 3.3Å; S82-F99 PolarHBondContact O-N 3.15Å
83	A	98.2	Very high	97.9	Very high	2 Å²	2	33 Å²	33	2%	0.017	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	144.9	175.9	0	0	0	0	0	112.1	L61 G80 Y97	L61-A83 HydrophobicContact CD1-CB 4.22Å; L61-A83 HydrophobicContact CD2-CB 3.99Å; G80-A83 PolarHBondContact N-O 3.29Å; A83-Y97 CarbonylContact C-O 3.53Å; A83-Y97 WeakPolarHBondContact CA-O 3.3Å
84	L	98.6	Very high	98	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	132.4	171.4	-178.9	72.1	0	0	0	108.5	L77 V78 L79 F95 S96 Y97 F99 F108 I118 I120 F130	L77-L84 HydrophobicContact CD1-CD1 3.85Å; L77-L84 HydrophobicContact CD1-CD2 4.38Å; L77-L84 HydrophobicContact CD1-CG 4Å; L77-L84 HydrophobicContact CD2-CD1 4Å; L77-L84 HydrophobicContact CG-CD1 3.71Å; L77-L84 HydrophobicContact CG-CG 4.41Å; V78-L84 WeakPolarHBondContact O-CA 3.41Å; L79-L84 HydrophobicContact CD1-CD1 4.32Å; L84-F95 HydrophobicContact CD2-CE2 4.1Å; L84-F95 HydrophobicContact CD2-CZ 4.21Å; L84-F95 HydrophobicContact CG-CE2 4.24Å; L84-F95 HydrophobicContact CG-CZ 4.49Å; L84-S96 CarbonylContact O-C 3.6Å; L84-S96 WeakPolarHBondContact O-CA 3.37Å; L84-Y97 PolarHBondContact N-O 3.49Å; L84-Y97 PolarHBondContact O-N 3.45Å; L84-F99 HydrophobicContact CB-CE2 3.84Å; L84-F108 HydrophobicContact CD1-CD2 4.06Å; L84-F108 HydrophobicContact CD1-CE2 3.7Å; L84-I118 HydrophobicContact CD1-CD1 4.17Å; L84-I118 HydrophobicContact CD2-CD1 3.73Å; L84-I120 HydrophobicContact CD2-CD1 4.4Å; L84-F130 HydrophobicContact CD2-CD1 3.58Å; L84-F130 HydrophobicContact CD2-CD2 4.18Å; L84-F130 HydrophobicContact CD2-CE1 3.59Å; L84-F130 HydrophobicContact CD2-CE2 4.19Å; L84-F130 HydrophobicContact CD2-CG 3.88Å; L84-F130 HydrophobicContact CD2-CZ 3.9Å
85	K	98.5	Very high	98.2	Very high	33 Å²	33	30.5 Å²	30.5	14%	0.143	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	134.3	178.8	-173.7	177.2	-166.4	179.8	0	110.9	A60 L61 L77 V78 T87 S93 F95 S96	A60-K85 WeakPolarHBondContact O-CD 3.41Å; A60-K85 WeakPolarHBondContact O-CE 3.35Å; A60-K85 PolarHBondContact O-NZ 3.41Å; L61-K85 HydrophobicContact CD2-CB 3.68Å; L61-K85 HydrophobicContact CD2-CD 4.14Å; L77-K85 CarbonylContact C-O 3.59Å; L77-K85 WeakPolarHBondContact CA-O 3.45Å; V78-K85 PolarHBondContact N-O 2.95Å; V78-K85 PolarHBondContact O-N 2.91Å; K85-T87 HydrophobicContact CD-CG2 3.71Å; K85-T87 HydrophobicContact CG-CG2 3.74Å; K85-S93 VanDerWaalsContact CE-OG 3.26Å; K85-S93 WeakPolarHBondContact CE-OG 3.07Å; K85-F95 WeakPolarHBondContact CA-O 3.31Å; K85-F95 WeakPolarHBondContact CG-O 2.93Å; K85-S96 WeakPolarHBondContact CG-OG 3.33Å
86	L	98.6	Very high	98.2	Very high	5 Å²	5	34 Å²	34	3%	0.026	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	126.7	167	-178.2	67.5	0	0	0	108.8	L77 M94 F95	L77-L86 HydrophobicContact CB-CD1 4.16Å; L77-L86 HydrophobicContact CD1-CB 3.8Å; L77-L86 HydrophobicContact CD1-CD1 4.1Å; L86-M94 HydrophobicContact CB-CB 4.31Å; L86-M94 HydrophobicContact CD1-CE 3.95Å; L86-M94 HydrophobicContact CD2-CB 3.93Å; L86-M94 HydrophobicContact CD2-CE 3.77Å; L86-M94 HydrophobicContact CD2-SD 3.97Å; L86-M94 HydrophobicContact CG-CB 4.03Å; L86-M94 HydrophobicContact CG-CE 3.5Å; L86-M94 VanDerWaalsContact CG-CE 3.5Å; L86-M94 HydrophobicContact CG-SD 4.27Å; L86-M94 PolarHBondContact O-N 2.84Å; L86-F95 HydrophobicContact CB-CD1 3.39Å; L86-F95 HydrophobicContact CB-CE1 3.28Å; L86-F95 HydrophobicContact CB-CG 4.1Å; L86-F95 HydrophobicContact CB-CZ 3.9Å; L86-F95 HydrophobicContact CD2-CD1 3.72Å; L86-F95 HydrophobicContact CD2-CE1 3.66Å; L86-F95 HydrophobicContact CG-CD1 4.19Å; L86-F95 HydrophobicContact CG-CE1 4.07Å; L86-F95 PolarHBondContact N-O 2.84Å; L86-F95 PolarHBondContact O-N 2.78Å
87	T	98.6	Very high	98.2	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	150	175.8	65.5	0	0	0	0	111.2	F58 G75 V76 K85 L92 M94	F58-T87 HydrophobicContact CE2-CG2 4.25Å; G75-T87 CarbonylContact C-O 3.58Å; G75-T87 VanDerWaalsContact CA-O 3.29Å; G75-T87 WeakPolarHBondContact CA-O 3.48Å; V76-T87 PolarHBondContact N-O 3.07Å; V76-T87 PolarHBondContact O-N 2.62Å; K85-T87 HydrophobicContact CD-CG2 3.71Å; K85-T87 HydrophobicContact CG-CG2 3.74Å; T87-L92 CarbonylContact C-O 3.59Å; T87-L92 WeakPolarHBondContact CA-O 3.5Å; T87-M94 VanDerWaalsContact C-CE 3.4Å; T87-M94 WeakPolarHBondContact O-CE 3.46Å
88	T	98.4	Very high	98.1	Very high	28 Å²	28	42.5 Å²	42.5	17%	0.172	22%	0.222	C	C	.	.			trans	-61.9	161.7	162.9	72.9	0	0	0	0	109.6	Q90 G91 L92 M94	T88-Q90 PolarHBondContact O-N 3.44Å; T88-Q90 VanDerWaalsContact O-N 3.1Å; T88-Q90 PolarHBondContact OG1-N 3Å; T88-Q90 PolarHBondContact OG1-OE1 3.26Å; T88-G91 PolarHBondContact O-N 2.88Å; T88-G91 PolarHBondContact OG1-N 3.44Å; T88-L92 HydrophobicContact CG2-CB 3.97Å; T88-L92 PolarHBondContact N-O 3.37Å; T88-L92 WeakPolarHBondContact OG1-CB 3.06Å; T88-L92 PolarHBondContact OG1-N 3.37Å; T88-L92 VanDerWaalsContact OG1-N 3.12Å; T88-M94 HydrophobicContact CG2-CE 4.12Å; T88-M94 HydrophobicContact CG2-CG 4.12Å; T88-M94 HydrophobicContact CG2-SD 4.29Å
89	R	98.1	Very high	98.1	Very high	17 Å²	17	43 Å²	43	6%	0.064	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-18.3	177.1	-64.6	-178.9	169	71.3	10.8	113	D29 W36 T56 R72 S73 V76	D29-R89 IonicContact OD1-CZ 3.57Å; D29-R89 IonicContact OD1-NE 2.75Å; D29-R89 PolarHBondContact OD1-NE 3.07Å; D29-R89 IonicContact OD1-NH2 3.2Å; D29-R89 PolarHBondContact OD1-NH2 2.85Å; D29-R89 IonicContact OD2-CZ 2.76Å; D29-R89 IonicContact OD2-NE 3.82Å; D29-R89 PolarHBondContact OD2-NE 2.69Å; D29-R89 IonicContact OD2-NH2 3.56Å; D29-R89 PolarHBondContact OD2-NH2 3.48Å; W36-R89 HydrophobicContact CH2-CB 4.28Å; W36-R89 WeakPolarHBondContact CH2-O 3.36Å; W36-R89 HydrophobicContact CZ2-CB 3.94Å; W36-R89 HydrophobicContact CZ2-CG 3.91Å; T56-R89 WeakPolarHBondContact CB-O 3.06Å; T56-R89 WeakPolarHBondContact CG2-O 3.35Å; T56-R89 PolarHBondContact OG1-O 3.36Å; R72-R89 PolarHBondContact O-NH1 2.71Å; R72-R89 PolarHBondContact O-NH2 2.99Å; S73-R89 PolarHBondContact O-NH1 2.91Å; V76-R89 HydrophobicContact CG2-CG 4.09Å
90	Q	97.6	Very high	97.9	Very high	119 Å²	119	46 Å²	46	56%	0.556	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	0	174	-59.5	76.8	20.2	0	0	113.6	T88	T88-Q90 PolarHBondContact O-N 3.44Å; T88-Q90 VanDerWaalsContact O-N 3.1Å; T88-Q90 PolarHBondContact OG1-N 3Å; T88-Q90 PolarHBondContact OG1-OE1 3.26Å
91	G	97.5	Very high	97.7	Very high	20 Å²	20	52 Å²	52	21%	0.206	28%	0.277	C	S	.	.	S	Bend	trans	90.9	11.3	175.2	0	0	0	0	0	115.6	F58 T88	F58-G91 VanDerWaalsContact CD1-CA 3.46Å; F58-G91 VanDerWaalsContact CZ-CA 3.47Å; T88-G91 PolarHBondContact O-N 2.88Å; T88-G91 PolarHBondContact OG1-N 3.44Å
92	L	97.9	Very high	97.5	Very high	121 Å²	121	51.8 Å²	51.8	63%	0.634	29%	0.289	S	S	*	.			trans	-76.5	128.1	172.9	-60.1	176.8	0	0	0	109.5	T87 T88 M94	T87-L92 CarbonylContact C-O 3.59Å; T87-L92 WeakPolarHBondContact CA-O 3.5Å; T88-L92 HydrophobicContact CG2-CB 3.97Å; T88-L92 PolarHBondContact N-O 3.37Å; T88-L92 WeakPolarHBondContact OG1-CB 3.06Å; T88-L92 PolarHBondContact OG1-N 3.37Å; T88-L92 VanDerWaalsContact OG1-N 3.12Å; L92-M94 PolarHBondContact O-N 2.6Å
93	S	97.8	Very high	97.5	Very high	69 Å²	69	52.1 Å²	52.1	48%	0.483	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	123.6	177.9	-169.3	0	0	0	0	110.8	K85 S96	K85-S93 VanDerWaalsContact CE-OG 3.26Å; K85-S93 WeakPolarHBondContact CE-OG 3.07Å; S93-S96 PolarHBondContact OG-OG 3.2Å
94	M	97.6	Very high	97.5	Very high	78 Å²	78	53.9 Å²	53.9	38%	0.384	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	-47.3	171.6	-71.9	-171.5	-90.1	0	0	111.2	D74 L86 T87 T88 L92	D74-M94 HydrophobicContact CB-CE 4.38Å; D74-M94 HydrophobicContact CB-SD 4.34Å; D74-M94 WeakPolarHBondContact O-CE 3.26Å; L86-M94 HydrophobicContact CB-CB 4.31Å; L86-M94 HydrophobicContact CD1-CE 3.95Å; L86-M94 HydrophobicContact CD2-CB 3.93Å; L86-M94 HydrophobicContact CD2-CE 3.77Å; L86-M94 HydrophobicContact CD2-SD 3.97Å; L86-M94 HydrophobicContact CG-CB 4.03Å; L86-M94 HydrophobicContact CG-CE 3.5Å; L86-M94 VanDerWaalsContact CG-CE 3.5Å; L86-M94 HydrophobicContact CG-SD 4.27Å; L86-M94 PolarHBondContact O-N 2.84Å; T87-M94 VanDerWaalsContact C-CE 3.4Å; T87-M94 WeakPolarHBondContact O-CE 3.46Å; T88-M94 HydrophobicContact CG2-CE 4.12Å; T88-M94 HydrophobicContact CG2-CG 4.12Å; T88-M94 HydrophobicContact CG2-SD 4.29Å; L92-M94 PolarHBondContact O-N 2.6Å
95	F	97.8	Very high	97.5	Very high	26 Å²	26	53.9 Å²	53.9	11%	0.114	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	162.1	167.3	78.5	-102.6	0	0	0	111	L77 L84 K85 L86 F130 L132 C135	L77-F95 HydrophobicContact CD1-CE1 4.15Å; L77-F95 HydrophobicContact CD1-CE2 4.48Å; L77-F95 HydrophobicContact CD1-CZ 3.64Å; L84-F95 HydrophobicContact CD2-CE2 4.1Å; L84-F95 HydrophobicContact CD2-CZ 4.21Å; L84-F95 HydrophobicContact CG-CE2 4.24Å; L84-F95 HydrophobicContact CG-CZ 4.49Å; K85-F95 WeakPolarHBondContact CA-O 3.31Å; K85-F95 WeakPolarHBondContact CG-O 2.93Å; L86-F95 HydrophobicContact CB-CD1 3.39Å; L86-F95 HydrophobicContact CB-CE1 3.28Å; L86-F95 HydrophobicContact CB-CG 4.1Å; L86-F95 HydrophobicContact CB-CZ 3.9Å; L86-F95 HydrophobicContact CD2-CD1 3.72Å; L86-F95 HydrophobicContact CD2-CE1 3.66Å; L86-F95 HydrophobicContact CG-CD1 4.19Å; L86-F95 HydrophobicContact CG-CE1 4.07Å; L86-F95 PolarHBondContact N-O 2.84Å; L86-F95 PolarHBondContact O-N 2.78Å; F95-F130 AromaticContact CE2-CE1 3.9Å; F95-F130 HydrophobicContact CE2-CE1 3.9Å; F95-F130 AromaticContact CE2-CZ 3.92Å; F95-F130 HydrophobicContact CE2-CZ 3.92Å; F95-F130 AromaticContact CZ-CE1 3.92Å; F95-F130 HydrophobicContact CZ-CE1 3.92Å; F95-F130 HydrophobicContact CZ-CZ 4.41Å; F95-L132 HydrophobicContact CE1-CD2 4.35Å; F95-L132 HydrophobicContact CZ-CD2 4.04Å; F95-C135 HydrophobicContact CD2-CB 4.5Å; F95-C135 HydrophobicContact CG-CB 4.49Å
96	S	97.9	Very high	97.5	Very high	72 Å²	72	54.7 Å²	54.7	50%	0.503	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	140.8	171.9	-58	0	0	0	0	109.4	L84 K85 S93	L84-S96 CarbonylContact O-C 3.6Å; L84-S96 WeakPolarHBondContact O-CA 3.37Å; K85-S96 WeakPolarHBondContact CG-OG 3.33Å; S93-S96 PolarHBondContact OG-OG 3.2Å
97	Y	98.4	Very high	97.5	Very high	63 Å²	63	54.9 Å²	54.9	25%	0.247	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	132.6	178.2	-172.7	-84.9	0	0	0	109.3	A83 L84 F99 F130 C135 E136	A83-Y97 CarbonylContact C-O 3.53Å; A83-Y97 WeakPolarHBondContact CA-O 3.3Å; L84-Y97 PolarHBondContact N-O 3.49Å; L84-Y97 PolarHBondContact O-N 3.45Å; Y97-F99 HydrophobicContact CD1-CD1 4.15Å; Y97-F99 AromaticContact CD1-CD2 3.67Å; Y97-F99 HydrophobicContact CD1-CD2 3.67Å; Y97-F99 HydrophobicContact CD1-CE1 4.05Å; Y97-F99 AromaticContact CD1-CE2 3.55Å; Y97-F99 HydrophobicContact CD1-CE2 3.55Å; Y97-F99 AromaticContact CD1-CG 3.95Å; Y97-F99 HydrophobicContact CD1-CG 3.95Å; Y97-F99 AromaticContact CD1-CZ 3.74Å; Y97-F99 HydrophobicContact CD1-CZ 3.74Å; Y97-F99 HydrophobicContact CE1-CB 4.47Å; Y97-F99 AromaticContact CE1-CD1 3.6Å; Y97-F99 HydrophobicContact CE1-CD1 3.6Å; Y97-F99 AromaticContact CE1-CD2 3.95Å; Y97-F99 HydrophobicContact CE1-CD2 3.95Å; Y97-F99 AromaticContact CE1-CE1 3.68Å; Y97-F99 HydrophobicContact CE1-CE1 3.68Å; Y97-F99 HydrophobicContact CE1-CE2 4.02Å; Y97-F99 AromaticContact CE1-CG 3.73Å; Y97-F99 HydrophobicContact CE1-CG 3.73Å; Y97-F99 AromaticContact CE1-CZ 3.88Å; Y97-F99 HydrophobicContact CE1-CZ 3.88Å; Y97-F130 HydrophobicContact CD1-CD2 4.45Å; Y97-F130 AromaticContact CD1-CE2 3.77Å; Y97-F130 HydrophobicContact CD1-CE2 3.77Å; Y97-F130 AromaticContact CD2-CE2 3.65Å; Y97-F130 HydrophobicContact CD2-CE2 3.65Å; Y97-F130 HydrophobicContact CD2-CZ 4.15Å; Y97-F130 HydrophobicContact CE1-CE2 4.19Å; Y97-F130 HydrophobicContact CE2-CE2 4.08Å; Y97-F130 AromaticContact CG-CE2 3.48Å; Y97-F130 HydrophobicContact CG-CE2 3.48Å; Y97-F130 VanDerWaalsContact CG-CE2 3.48Å; Y97-F130 HydrophobicContact CG-CZ 4.03Å; Y97-C135 WeakPolarHBondContact CD2-O 3.44Å; Y97-E136 HydrophobicContact CE2-CB 4.48Å
98	N	97.8	Very high	97.4	Very high	116 Å²	116	55.6 Å²	55.6	62%	0.62	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.7	121.8	174.4	-62.5	-65.6	0	0	0	108.4	S82	S82-N98 CarbonylContact O-C 3.45Å; S82-N98 WeakPolarHBondContact O-CA 3.3Å
99	F	97.8	Very high	97.4	Very high	10 Å²	10	55.1 Å²	55.1	4%	0.044	31%	0.305	C	S	.	.			trans	-80.2	172.1	171.6	-62.4	-97.9	0	0	0	110	S82 L84 Y97 D101 F103 F105 I120 F130 E137	S82-F99 PolarHBondContact O-N 3.15Å; L84-F99 HydrophobicContact CB-CE2 3.84Å; Y97-F99 HydrophobicContact CD1-CD1 4.15Å; Y97-F99 AromaticContact CD1-CD2 3.67Å; Y97-F99 HydrophobicContact CD1-CD2 3.67Å; Y97-F99 HydrophobicContact CD1-CE1 4.05Å; Y97-F99 AromaticContact CD1-CE2 3.55Å; Y97-F99 HydrophobicContact CD1-CE2 3.55Å; Y97-F99 AromaticContact CD1-CG 3.95Å; Y97-F99 HydrophobicContact CD1-CG 3.95Å; Y97-F99 AromaticContact CD1-CZ 3.74Å; Y97-F99 HydrophobicContact CD1-CZ 3.74Å; Y97-F99 HydrophobicContact CE1-CB 4.47Å; Y97-F99 AromaticContact CE1-CD1 3.6Å; Y97-F99 HydrophobicContact CE1-CD1 3.6Å; Y97-F99 AromaticContact CE1-CD2 3.95Å; Y97-F99 HydrophobicContact CE1-CD2 3.95Å; Y97-F99 AromaticContact CE1-CE1 3.68Å; Y97-F99 HydrophobicContact CE1-CE1 3.68Å; Y97-F99 HydrophobicContact CE1-CE2 4.02Å; Y97-F99 AromaticContact CE1-CG 3.73Å; Y97-F99 HydrophobicContact CE1-CG 3.73Å; Y97-F99 AromaticContact CE1-CZ 3.88Å; Y97-F99 HydrophobicContact CE1-CZ 3.88Å; F99-D101 PolarHBondContact O-N 2.84Å; F99-F103 HydrophobicContact CB-CD2 3.82Å; F99-F103 HydrophobicContact CB-CG 4.49Å; F99-F105 HydrophobicContact CB-CE2 3.83Å; F99-F105 AromaticContact CD1-CE2 3.8Å; F99-F105 HydrophobicContact CD1-CE2 3.8Å; F99-F105 AromaticContact CD1-CZ 3.96Å; F99-F105 HydrophobicContact CD1-CZ 3.96Å; F99-F105 HydrophobicContact CD2-CD2 4.33Å; F99-F105 AromaticContact CD2-CE2 3.66Å; F99-F105 HydrophobicContact CD2-CE2 3.66Å; F99-F105 HydrophobicContact CE1-CE2 4.25Å; F99-F105 HydrophobicContact CE1-CZ 4.26Å; F99-F105 HydrophobicContact CE2-CE2 4.13Å; F99-F105 AromaticContact CG-CE2 3.49Å; F99-F105 HydrophobicContact CG-CE2 3.49Å; F99-F105 VanDerWaalsContact CG-CE2 3.49Å; F99-F105 HydrophobicContact CG-CZ 4.14Å; F99-F105 HydrophobicContact CZ-CE2 4.41Å; F99-I120 HydrophobicContact CE1-CD1 4.4Å; F99-I120 HydrophobicContact CE2-CD1 4.19Å; F99-I120 HydrophobicContact CZ-CD1 3.62Å; F99-F130 HydrophobicContact CE1-CD2 4.15Å; F99-F130 AromaticContact CZ-CD2 3.64Å; F99-F130 HydrophobicContact CZ-CD2 3.64Å; F99-F130 HydrophobicContact CZ-CE2 4.18Å; F99-F130 HydrophobicContact CZ-CG 4.42Å; F99-E137 HydrophobicContact CE1-CB 4.03Å; F99-E137 HydrophobicContact CE1-CG 4.25Å
100	S	95.9	Very high	97.2	Very high	63 Å²	63	56.8 Å²	56.8	44%	0.441	32%	0.317	S	S	.	.			trans	-54.4	138.8	169.8	177.1	0	0	0	0	111.5	T102 F103	S100-T102 WeakPolarHBondContact CB-OG1 3.18Å; S100-T102 PolarHBondContact O-N 2.82Å; S100-T102 PolarHBondContact OG-N 2.75Å; S100-T102 PolarHBondContact OG-OG1 2.93Å; S100-F103 WeakPolarHBondContact O-CB 3.42Å; S100-F103 WeakPolarHBondContact O-CD2 3.21Å; S100-F103 PolarHBondContact O-N 3.4Å
101	D	93.5	Very high	97	Very high	126 Å²	126	52.2 Å²	52.2	67%	0.674	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-8	176.1	-66.4	-34.8	0	0	0	113.8	R81 F99 F103	R81-D101 PolarHBondContact NH2-O 2.98Å; F99-D101 PolarHBondContact O-N 2.84Å; D101-F103 PolarHBondContact O-N 2.83Å
102	T	94.6	Very high	96.7	Very high	110 Å²	110	53 Å²	53	68%	0.675	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-18.4	169.8	57.2	0	0	0	0	113	S100	S100-T102 WeakPolarHBondContact CB-OG1 3.18Å; S100-T102 PolarHBondContact O-N 2.82Å; S100-T102 PolarHBondContact OG-N 2.75Å; S100-T102 PolarHBondContact OG-OG1 2.93Å
103	F	97.4	Very high	96.3	Very high	15 Å²	15	53.9 Å²	53.9	7%	0.066	30%	0.297	C	S	.	.			trans	-79.6	151.4	177	-72.9	-71.8	0	0	0	112.5	R81 F99 S100 D101 F105 Q124	R81-F103 PolarHBondContact NE-O 2.81Å; F99-F103 HydrophobicContact CB-CD2 3.82Å; F99-F103 HydrophobicContact CB-CG 4.49Å; S100-F103 WeakPolarHBondContact O-CB 3.42Å; S100-F103 WeakPolarHBondContact O-CD2 3.21Å; S100-F103 PolarHBondContact O-N 3.4Å; D101-F103 PolarHBondContact O-N 2.83Å; F103-F105 HydrophobicContact CB-CD2 3.93Å; F103-F105 HydrophobicContact CB-CE1 4.43Å; F103-F105 HydrophobicContact CB-CE2 3.56Å; F103-F105 HydrophobicContact CB-CG 4.49Å; F103-F105 HydrophobicContact CB-CZ 3.85Å; F103-F105 HydrophobicContact CD1-CD1 4.47Å; F103-F105 AromaticContact CD1-CE1 3.65Å; F103-F105 HydrophobicContact CD1-CE1 3.65Å; F103-F105 HydrophobicContact CD1-CE2 4.02Å; F103-F105 AromaticContact CD1-CZ 3.38Å; F103-F105 HydrophobicContact CD1-CZ 3.38Å; F103-F105 HydrophobicContact CD2-CE2 4.22Å; F103-F105 HydrophobicContact CD2-CZ 4.1Å; F103-F105 HydrophobicContact CE1-CE1 4.23Å; F103-F105 AromaticContact CE1-CZ 3.97Å; F103-F105 HydrophobicContact CE1-CZ 3.97Å; F103-F105 HydrophobicContact CG-CD2 4.47Å; F103-F105 HydrophobicContact CG-CE1 4.16Å; F103-F105 AromaticContact CG-CE2 3.67Å; F103-F105 HydrophobicContact CG-CE2 3.67Å; F103-F105 AromaticContact CG-CZ 3.49Å; F103-F105 HydrophobicContact CG-CZ 3.49Å; F103-F105 VanDerWaalsContact CG-CZ 3.49Å; F103-Q124 HydrophobicContact CD1-CG 3.7Å; F103-Q124 HydrophobicContact CE1-CG 3.93Å
104	D	98	Very high	96.1	Very high	40 Å²	40	55.5 Å²	55.5	21%	0.214	30%	0.295	C	S	.	.			trans	-140.5	62.7	175.5	-165.5	-15.2	0	0	0	109.4	R67 Q106 G122 L123 Q124	R67-D104 IonicContact CZ-OD1 3.15Å; R67-D104 IonicContact NH1-OD1 2.6Å; R67-D104 PolarHBondContact NH1-OD1 2.88Å; R67-D104 IonicContact NH2-OD1 2.82Å; R67-D104 PolarHBondContact NH2-OD1 2.76Å; D104-Q106 PolarHBondContact OD1-NE2 2.91Å; D104-Q106 VanDerWaalsContact OD1-NE2 3.16Å; D104-G122 CarbonylContact O-C 3.12Å; D104-G122 WeakPolarHBondContact O-CA 3.3Å; D104-L123 HydrophobicContact CB-CB 3.98Å; D104-L123 PolarHBondContact O-N 2.6Å; D104-Q124 PolarHBondContact O-OE1 2.86Å
105	F	98.6	Very high	95.9	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	133.9	-173.4	-66.9	-58.4	0	0	0	113.4	R67 L79 R81 F99 F103 I120 G121 Q124	R67-F105 WeakPolarHBondContact CD-O 3.25Å; R67-F105 PolarHBondContact NH1-O 2.88Å; L79-F105 HydrophobicContact CD1-CB 4.03Å; L79-F105 HydrophobicContact CD1-CD2 4.37Å; L79-F105 HydrophobicContact CD1-CG 4.41Å; L79-F105 HydrophobicContact CD2-CB 4.11Å; L79-F105 HydrophobicContact CG-CB 4.25Å; R81-F105 WeakPolarHBondContact O-CD2 3.09Å; R81-F105 PolarHBondContact O-N 3.49Å; F99-F105 HydrophobicContact CB-CE2 3.83Å; F99-F105 AromaticContact CD1-CE2 3.8Å; F99-F105 HydrophobicContact CD1-CE2 3.8Å; F99-F105 AromaticContact CD1-CZ 3.96Å; F99-F105 HydrophobicContact CD1-CZ 3.96Å; F99-F105 HydrophobicContact CD2-CD2 4.33Å; F99-F105 AromaticContact CD2-CE2 3.66Å; F99-F105 HydrophobicContact CD2-CE2 3.66Å; F99-F105 HydrophobicContact CE1-CE2 4.25Å; F99-F105 HydrophobicContact CE1-CZ 4.26Å; F99-F105 HydrophobicContact CE2-CE2 4.13Å; F99-F105 AromaticContact CG-CE2 3.49Å; F99-F105 HydrophobicContact CG-CE2 3.49Å; F99-F105 VanDerWaalsContact CG-CE2 3.49Å; F99-F105 HydrophobicContact CG-CZ 4.14Å; F99-F105 HydrophobicContact CZ-CE2 4.41Å; F103-F105 HydrophobicContact CB-CD2 3.93Å; F103-F105 HydrophobicContact CB-CE1 4.43Å; F103-F105 HydrophobicContact CB-CE2 3.56Å; F103-F105 HydrophobicContact CB-CG 4.49Å; F103-F105 HydrophobicContact CB-CZ 3.85Å; F103-F105 HydrophobicContact CD1-CD1 4.47Å; F103-F105 AromaticContact CD1-CE1 3.65Å; F103-F105 HydrophobicContact CD1-CE1 3.65Å; F103-F105 HydrophobicContact CD1-CE2 4.02Å; F103-F105 AromaticContact CD1-CZ 3.38Å; F103-F105 HydrophobicContact CD1-CZ 3.38Å; F103-F105 HydrophobicContact CD2-CE2 4.22Å; F103-F105 HydrophobicContact CD2-CZ 4.1Å; F103-F105 HydrophobicContact CE1-CE1 4.23Å; F103-F105 AromaticContact CE1-CZ 3.97Å; F103-F105 HydrophobicContact CE1-CZ 3.97Å; F103-F105 HydrophobicContact CG-CD2 4.47Å; F103-F105 HydrophobicContact CG-CE1 4.16Å; F103-F105 AromaticContact CG-CE2 3.67Å; F103-F105 HydrophobicContact CG-CE2 3.67Å; F103-F105 AromaticContact CG-CZ 3.49Å; F103-F105 HydrophobicContact CG-CZ 3.49Å; F103-F105 VanDerWaalsContact CG-CZ 3.49Å; F105-I120 HydrophobicContact CB-CG2 3.94Å; F105-I120 HydrophobicContact CD1-CB 4.09Å; F105-I120 HydrophobicContact CD1-CG2 3.3Å; F105-I120 HydrophobicContact CD2-CG2 4.13Å; F105-I120 HydrophobicContact CE1-CB 4.05Å; F105-I120 HydrophobicContact CE1-CG2 3.72Å; F105-I120 HydrophobicContact CE2-CG2 4.48Å; F105-I120 HydrophobicContact CG-CG2 3.54Å; F105-I120 HydrophobicContact CZ-CG2 4.29Å; F105-G121 CarbonylContact C-O 3.58Å; F105-G121 WeakPolarHBondContact CA-O 3.22Å; F105-Q124 VanDerWaalsContact CD1-NE2 3.33Å
106	Q	98.4	Very high	95.8	Very high	50 Å²	50	58.2 Å²	58.2	23%	0.234	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	-36.9	-179.5	-62.4	-59.9	-30.5	0	0	111.9	S68 D104 G121 L123 V149	S68-Q106 PolarHBondContact OG-O 3.42Å; D104-Q106 PolarHBondContact OD1-NE2 2.91Å; D104-Q106 VanDerWaalsContact OD1-NE2 3.16Å; Q106-G121 PolarHBondContact N-O 2.85Å; Q106-L123 HydrophobicContact CG-CG 4.18Å; Q106-V149 HydrophobicContact CB-CB 4.49Å; Q106-V149 HydrophobicContact CG-CB 4.48Å; Q106-V149 HydrophobicContact CG-CG1 4.37Å
107	C	97.9	Very high	95.7	Very high	10 Å²	10	56.6 Å²	56.6	7%	0.068	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	161.9	-170.7	70.3	0	0	0	0	112.2	S68 I120 G121 V149 V150 M151	S68-C107 WeakPolarHBondContact OG-CA 3.45Å; C107-I120 WeakPolarHBondContact O-CA 3.5Å; C107-G121 PolarHBondContact N-O 3.16Å; C107-G121 VanDerWaalsContact N-O 3.13Å; C107-G121 PolarHBondContact O-N 2.77Å; C107-V149 VanDerWaalsContact SG-C 3.55Å; C107-V149 PolarHBondContact SG-O 3Å; C107-V150 VanDerWaalsContact SG-C 3.54Å; C107-V150 WeakPolarHBondContact SG-CA 3.37Å; C107-M151 PolarHBondContact SG-N 2.77Å; C107-M151 VanDerWaalsContact SG-N 3.39Å
108	F	97.7	Very high	95.7	Very high	15 Å²	15	53.6 Å²	53.6	7%	0.066	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	157.4	171.2	61.6	-7.8	0	0	0	111.3	S68 L69 L70 L77 L79 L84 I118 N119 I120	S68-F108 VanDerWaalsContact CB-CE1 3.4Å; L69-F108 VanDerWaalsContact C-CE1 3.48Å; L70-F108 HydrophobicContact CB-CD1 4.44Å; L70-F108 HydrophobicContact CB-CE1 3.64Å; L70-F108 HydrophobicContact CB-CE2 4.11Å; L70-F108 HydrophobicContact CB-CZ 3.45Å; L70-F108 VanDerWaalsContact CB-CZ 3.45Å; L77-F108 HydrophobicContact CB-CE2 4.38Å; L77-F108 HydrophobicContact CB-CZ 4.49Å; L77-F108 HydrophobicContact CD2-CD2 4.2Å; L77-F108 HydrophobicContact CD2-CE2 3.53Å; L77-F108 HydrophobicContact CD2-CZ 4.31Å; L77-F108 HydrophobicContact CG-CE2 3.78Å; L77-F108 HydrophobicContact CG-CZ 4.34Å; L79-F108 HydrophobicContact CB-CD2 4.13Å; L79-F108 HydrophobicContact CB-CE1 4.33Å; L79-F108 HydrophobicContact CB-CE2 3.9Å; L79-F108 HydrophobicContact CB-CG 4.45Å; L79-F108 HydrophobicContact CB-CZ 4.01Å; L79-F108 HydrophobicContact CD2-CB 4.08Å; L79-F108 HydrophobicContact CD2-CD1 4.22Å; L79-F108 HydrophobicContact CD2-CD2 4.21Å; L79-F108 HydrophobicContact CD2-CG 3.92Å; L84-F108 HydrophobicContact CD1-CD2 4.06Å; L84-F108 HydrophobicContact CD1-CE2 3.7Å; F108-I118 HydrophobicContact CD2-CD1 3.83Å; F108-I118 HydrophobicContact CE2-CD1 4.41Å; F108-N119 CarbonylContact C-O 3.56Å; F108-N119 WeakPolarHBondContact CA-O 3.27Å; F108-N119 VanDerWaalsContact CB-O 3.27Å; F108-N119 WeakPolarHBondContact CB-O 3.43Å; F108-I120 HydrophobicContact CB-CB 4.33Å; F108-I120 HydrophobicContact CB-CG1 4.1Å; F108-I120 HydrophobicContact CB-CG2 4.21Å
109	V	96.5	Very high	95.7	Very high	18 Å²	18	48.3 Å²	48.3	11%	0.109	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	152	174.2	-68.4	0	0	0	0	109.2	I118 N119 M151 N153 L158	V109-I118 CarbonylContact O-C 3.56Å; V109-I118 VanDerWaalsContact O-CA 3.3Å; V109-I118 WeakPolarHBondContact O-CA 2.95Å; V109-N119 HydrophobicContact CG2-CB 4.25Å; V109-N119 PolarHBondContact N-O 2.65Å; V109-N119 PolarHBondContact O-N 3Å; V109-M151 HydrophobicContact CG1-CB 3.83Å; V109-M151 VanDerWaalsContact CG1-O 3.28Å; V109-M151 WeakPolarHBondContact CG1-O 3.35Å; V109-M151 HydrophobicContact CG2-CB 3.84Å; V109-M151 HydrophobicContact CG2-SD 4.42Å; V109-N153 WeakPolarHBondContact CG2-OD1 3.3Å; V109-L158 HydrophobicContact CG2-CD1 3.59Å
110	V	95.5	Very high	95.7	Very high	52 Å²	52	47.8 Å²	47.8	32%	0.315	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	145.6	168.7	-175.5	0	0	0	0	109	L70 P115 N153	L70-V110 HydrophobicContact CD1-CG2 3.73Å; L70-V110 HydrophobicContact CD2-CG2 4.38Å; L70-V110 HydrophobicContact CG-CG2 4.41Å; V110-P115 HydrophobicContact CG1-CB 4.49Å; V110-N153 PolarHBondContact O-ND2 3.25Å
111	N	93.6	Very high	95.8	Very high	22 Å²	22	44.8 Å²	44.8	12%	0.118	24%	0.237	C	C	.	.			trans	-71.3	130	172.8	-175.3	-69.6	0	0	0	109.8	F113 F114 M117 N119	N111-F113 PolarHBondContact O-N 2.9Å; N111-F113 VanDerWaalsContact O-N 3.15Å; N111-F113 PolarHBondContact OD1-N 2.88Å; N111-F114 HydrophobicContact CB-CB 4.2Å; N111-F114 WeakPolarHBondContact CB-O 3.41Å; N111-F114 CarbonylContact O-C 3.54Å; N111-F114 PolarHBondContact O-N 2.95Å; N111-F114 PolarHBondContact OD1-N 3.13Å; N111-F114 VanDerWaalsContact OD1-N 3.14Å; N111-M117 HydrophobicContact CB-CB 3.97Å; N111-M117 PolarHBondContact N-O 3.18Å; N111-N119 WeakPolarHBondContact CA-ND2 3.33Å; N111-N119 PolarHBondContact ND2-ND2 2.62Å; N111-N119 PolarHBondContact ND2-OD1 2.9Å
112	P	89.3	Confident	96	Very high	38 Å²	38	38.8 Å²	38.8	25%	0.247	21%	0.205	C	C	.	.	S	Bend	trans	-64.1	-21.4	-174.8	24.3	-33.5	0	0	0	113.7
113	F	91.3	Very high	96.2	Very high	139 Å²	139	37.6 Å²	37.6	61%	0.61	19%	0.194	S	C	*	.	S	Bend	trans	-103.4	-22.8	179.4	-56.6	-69.9	0	0	0	113.4	N111	N111-F113 PolarHBondContact O-N 2.9Å; N111-F113 VanDerWaalsContact O-N 3.15Å; N111-F113 PolarHBondContact OD1-N 2.88Å
114	F	93.2	Very high	96.2	Very high	103 Å²	103	37.6 Å²	37.6	45%	0.452	19%	0.194	S	C	.	.			trans	-131.3	89.4	-172.8	-61.8	-70.5	0	0	0	110.4	N111 E116 M117	N111-F114 HydrophobicContact CB-CB 4.2Å; N111-F114 WeakPolarHBondContact CB-O 3.41Å; N111-F114 CarbonylContact O-C 3.54Å; N111-F114 PolarHBondContact O-N 2.95Å; N111-F114 PolarHBondContact OD1-N 3.13Å; N111-F114 VanDerWaalsContact OD1-N 3.14Å; F114-E116 WeakPolarHBondContact CB-OE1 3.47Å; F114-E116 WeakPolarHBondContact CD1-OE1 3.48Å; F114-E116 PolarHBondContact O-N 2.8Å; F114-E116 VanDerWaalsContact O-N 3.11Å; F114-M117 HydrophobicContact CB-CB 4.09Å; F114-M117 HydrophobicContact CB-CG 3.97Å; F114-M117 HydrophobicContact CB-SD 4.08Å; F114-M117 HydrophobicContact CG-SD 4.38Å; F114-M117 PolarHBondContact O-N 2.83Å
115	P	92.4	Very high	96.1	Very high	97 Å²	97	38.8 Å²	38.8	63%	0.63	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-19.1	-173.8	25.9	-35.5	0	0	0	114.5	V110 M117	V110-P115 HydrophobicContact CG1-CB 4.49Å; P115-M117 VanDerWaalsContact C-N 3.26Å
116	E	95.4	Very high	96.1	Very high	64 Å²	64	39.8 Å²	39.8	30%	0.299	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-4.5	172.6	71.8	-72.8	173.3	0	0	113.6	F114 L132	F114-E116 WeakPolarHBondContact CB-OE1 3.47Å; F114-E116 WeakPolarHBondContact CD1-OE1 3.48Å; F114-E116 PolarHBondContact O-N 2.8Å; F114-E116 VanDerWaalsContact O-N 3.11Å; E116-L132 VanDerWaalsContact O-CB 3.3Å; E116-L132 WeakPolarHBondContact O-CB 3.26Å; E116-L132 PolarHBondContact O-N 2.67Å
117	M	96.7	Very high	96	Very high	37 Å²	37	37.7 Å²	37.7	18%	0.182	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	153	178.4	-58.7	-171.5	-173	0	0	111.5	N111 F114 P115 V129 F130	N111-M117 HydrophobicContact CB-CB 3.97Å; N111-M117 PolarHBondContact N-O 3.18Å; F114-M117 HydrophobicContact CB-CB 4.09Å; F114-M117 HydrophobicContact CB-CG 3.97Å; F114-M117 HydrophobicContact CB-SD 4.08Å; F114-M117 HydrophobicContact CG-SD 4.38Å; F114-M117 PolarHBondContact O-N 2.83Å; P115-M117 VanDerWaalsContact C-N 3.26Å; M117-V129 HydrophobicContact CB-CG1 4.22Å; M117-V129 HydrophobicContact SD-CG1 3.92Å; M117-F130 CarbonylContact C-O 3.57Å; M117-F130 VanDerWaalsContact CA-O 3.28Å; M117-F130 WeakPolarHBondContact CA-O 3.26Å
118	I	97.6	Very high	96	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	144.7	170.9	65.3	-176.7	0	0	0	109.8	L70 L77 L84 F108 V109 I120 V129 F130 L132	L70-I118 HydrophobicContact CD1-CG2 4.24Å; L77-I118 HydrophobicContact CD2-CD1 3.7Å; L77-I118 HydrophobicContact CD2-CG2 4.41Å; L84-I118 HydrophobicContact CD1-CD1 4.17Å; L84-I118 HydrophobicContact CD2-CD1 3.73Å; F108-I118 HydrophobicContact CD2-CD1 3.83Å; F108-I118 HydrophobicContact CE2-CD1 4.41Å; V109-I118 CarbonylContact O-C 3.56Å; V109-I118 VanDerWaalsContact O-CA 3.3Å; V109-I118 WeakPolarHBondContact O-CA 2.95Å; I118-I120 HydrophobicContact CD1-CD1 3.97Å; I118-I120 HydrophobicContact CD1-CG1 4.09Å; I118-I120 HydrophobicContact CG1-CD1 4.2Å; I118-I120 HydrophobicContact CG1-CG1 3.96Å; I118-V129 WeakPolarHBondContact O-CA 3.32Å; I118-F130 HydrophobicContact CD1-CB 4.25Å; I118-F130 HydrophobicContact CD1-CD1 4.3Å; I118-F130 HydrophobicContact CG1-CB 3.79Å; I118-F130 HydrophobicContact CG1-CD1 4.44Å; I118-F130 PolarHBondContact N-O 2.8Å; I118-F130 PolarHBondContact O-N 2.5Å; I118-L132 HydrophobicContact CD1-CD2 4.15Å; I118-L132 HydrophobicContact CG2-CD1 3.88Å; I118-L132 HydrophobicContact CG2-CD2 4.34Å; I118-L132 HydrophobicContact CG2-CG 4.16Å
119	N	97.5	Very high	96	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.027	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	130.7	168.9	-57.2	-61.9	0	0	0	107.9	F108 V109 N111 I127 S128 V129 M151	F108-N119 CarbonylContact C-O 3.56Å; F108-N119 WeakPolarHBondContact CA-O 3.27Å; F108-N119 VanDerWaalsContact CB-O 3.27Å; F108-N119 WeakPolarHBondContact CB-O 3.43Å; V109-N119 HydrophobicContact CG2-CB 4.25Å; V109-N119 PolarHBondContact N-O 2.65Å; V109-N119 PolarHBondContact O-N 3Å; N111-N119 WeakPolarHBondContact CA-ND2 3.33Å; N111-N119 PolarHBondContact ND2-ND2 2.62Å; N111-N119 PolarHBondContact ND2-OD1 2.9Å; N119-I127 HydrophobicContact CB-CG2 3.87Å; N119-S128 CarbonylContact C-O 3.53Å; N119-S128 WeakPolarHBondContact CA-O 3.27Å; N119-V129 WeakPolarHBondContact OD1-CG2 3.43Å; N119-M151 HydrophobicContact CB-CE 4.35Å; N119-M151 HydrophobicContact CB-SD 4.27Å; N119-M151 VanDerWaalsContact O-CE 3.25Å; N119-M151 WeakPolarHBondContact O-CE 3.5Å
120	I	98.5	Very high	96.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	124.9	-177.5	-41.9	178.7	0	0	0	109.1	L79 L84 F99 F105 C107 F108 I118 I127 S128 F130	L79-I120 HydrophobicContact CD1-CG2 3.78Å; L79-I120 HydrophobicContact CD2-CG2 3.81Å; L79-I120 HydrophobicContact CG-CG2 4.47Å; L84-I120 HydrophobicContact CD2-CD1 4.4Å; F99-I120 HydrophobicContact CE1-CD1 4.4Å; F99-I120 HydrophobicContact CE2-CD1 4.19Å; F99-I120 HydrophobicContact CZ-CD1 3.62Å; F105-I120 HydrophobicContact CB-CG2 3.94Å; F105-I120 HydrophobicContact CD1-CB 4.09Å; F105-I120 HydrophobicContact CD1-CG2 3.3Å; F105-I120 HydrophobicContact CD2-CG2 4.13Å; F105-I120 HydrophobicContact CE1-CB 4.05Å; F105-I120 HydrophobicContact CE1-CG2 3.72Å; F105-I120 HydrophobicContact CE2-CG2 4.48Å; F105-I120 HydrophobicContact CG-CG2 3.54Å; F105-I120 HydrophobicContact CZ-CG2 4.29Å; C107-I120 WeakPolarHBondContact O-CA 3.5Å; F108-I120 HydrophobicContact CB-CB 4.33Å; F108-I120 HydrophobicContact CB-CG1 4.1Å; F108-I120 HydrophobicContact CB-CG2 4.21Å; I118-I120 HydrophobicContact CD1-CD1 3.97Å; I118-I120 HydrophobicContact CD1-CG1 4.09Å; I118-I120 HydrophobicContact CG1-CD1 4.2Å; I118-I120 HydrophobicContact CG1-CG1 3.96Å; I120-I127 CarbonylContact O-C 3.55Å; I120-I127 WeakPolarHBondContact O-CA 3.19Å; I120-S128 PolarHBondContact N-O 3.08Å; I120-S128 PolarHBondContact O-N 2.79Å; I120-F130 HydrophobicContact CD1-CB 3.99Å
121	G	98.2	Very high	96.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	157	-176.7	0	0	0	0	0	111	F105 Q106 C107 C148	F105-G121 CarbonylContact C-O 3.58Å; F105-G121 WeakPolarHBondContact CA-O 3.22Å; Q106-G121 PolarHBondContact N-O 2.85Å; C107-G121 PolarHBondContact N-O 3.16Å; C107-G121 VanDerWaalsContact N-O 3.13Å; C107-G121 PolarHBondContact O-N 2.77Å; G121-C148 CarbonylContact C-O 3.59Å; G121-C148 WeakPolarHBondContact CA-O 3.43Å
122	G	98.4	Very high	96.4	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	-161.8	-179.1	0	0	0	0	0	113.5	D104 Q124 D147 C148	D104-G122 CarbonylContact O-C 3.12Å; D104-G122 WeakPolarHBondContact O-CA 3.3Å; G122-Q124 VanDerWaalsContact N-NE2 3.16Å; G122-Q124 PolarHBondContact O-N 2.82Å; G122-D147 WeakPolarHBondContact O-CA 3.47Å; G122-D147 WeakPolarHBondContact O-CB 3.48Å; G122-C148 WeakPolarHBondContact CA-O 3.38Å; G122-C148 PolarHBondContact N-O 2.82Å; G122-C148 PolarHBondContact O-N 3.46Å
123	L	98	Very high	96.7	Very high	84 Å²	84	38.6 Å²	38.6	44%	0.44	20%	0.196	S	C	.	.	S	Bend	trans	-79.5	49.5	176	-59.8	171.6	0	0	0	111.6	D104 Q106 D147 V149	D104-L123 HydrophobicContact CB-CB 3.98Å; D104-L123 PolarHBondContact O-N 2.6Å; Q106-L123 HydrophobicContact CG-CG 4.18Å; L123-D147 HydrophobicContact CD2-CB 4.47Å; L123-V149 HydrophobicContact CD2-CG1 3.54Å; L123-V149 HydrophobicContact CG-CG1 4.45Å
124	Q	97.3	Very high	97	Very high	15 Å²	15	37 Å²	37	7%	0.07	19%	0.193	C	C	.	.	S	Bend	trans	-147.3	153.3	173.6	69.6	-78.5	-26.6	0	0	109.6	F103 D104 F105 G122 T126 Q146 D147	F103-Q124 HydrophobicContact CD1-CG 3.7Å; F103-Q124 HydrophobicContact CE1-CG 3.93Å; D104-Q124 PolarHBondContact O-OE1 2.86Å; F105-Q124 VanDerWaalsContact CD1-NE2 3.33Å; G122-Q124 VanDerWaalsContact N-NE2 3.16Å; G122-Q124 PolarHBondContact O-N 2.82Å; Q124-T126 WeakPolarHBondContact CG-OG1 3.4Å; Q124-T126 PolarHBondContact NE2-O 2.91Å; Q124-T126 PolarHBondContact O-N 3.45Å; Q124-Q146 CarbonylContact C-O 3.53Å; Q124-D147 WeakPolarHBondContact O-CA 3.42Å
125	P	96.9	Very high	97.2	Very high	66 Å²	66	34.4 Å²	34.4	43%	0.429	19%	0.188	S	C	.	.	S	Bend	trans	-79.2	34.9	-173	34.3	-38.4	0	0	0	112.8	V142 L143 Q146	P125-V142 WeakPolarHBondContact O-CA 3.3Å; P125-L143 PolarHBondContact O-N 2.8Å; P125-Q146 VanDerWaalsContact CA-O 3.3Å; P125-Q146 WeakPolarHBondContact CA-O 3.49Å
126	T	97.4	Very high	97.5	Very high	20 Å²	20	34.3 Å²	34.3	12%	0.123	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	146.9	-179.6	60.4	0	0	0	0	112.2	Q124 F141 V142	Q124-T126 WeakPolarHBondContact CG-OG1 3.4Å; Q124-T126 PolarHBondContact NE2-O 2.91Å; Q124-T126 PolarHBondContact O-N 3.45Å; T126-F141 CarbonylContact C-O 3.57Å; T126-F141 WeakPolarHBondContact CA-O 3.28Å; T126-V142 HydrophobicContact CG2-CG2 4.31Å
127	I	97.3	Very high	97.6	Very high	7 Å²	7	33.5 Å²	33.5	4%	0.036	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	125.7	163.2	-67.7	177.1	0	0	0	107.9	N119 I120 Q140 F141 L143 C148 M151 L158 T160	N119-I127 HydrophobicContact CB-CG2 3.87Å; I120-I127 CarbonylContact O-C 3.55Å; I120-I127 WeakPolarHBondContact O-CA 3.19Å; I127-Q140 CarbonylContact O-C 3.07Å; I127-Q140 VanDerWaalsContact O-CA 3.3Å; I127-Q140 WeakPolarHBondContact O-CA 3.17Å; I127-F141 PolarHBondContact N-O 2.89Å; I127-F141 PolarHBondContact O-N 2.79Å; I127-L143 HydrophobicContact CD1-CD1 4.45Å; I127-L143 HydrophobicContact CD1-CD2 3.74Å; I127-L143 HydrophobicContact CG1-CD1 4.04Å; I127-L143 HydrophobicContact CG1-CD2 3.93Å; I127-L143 HydrophobicContact CG1-CG 4.22Å; I127-C148 HydrophobicContact CG1-CB 4.35Å; I127-M151 HydrophobicContact CD1-SD 3.82Å; I127-M151 HydrophobicContact CG1-SD 4.37Å; I127-L158 HydrophobicContact CD1-CD2 4.28Å; I127-T160 HydrophobicContact CD1-CG2 4.03Å
128	S	97.9	Very high	97.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	134.2	172.5	-69.2	0	0	0	0	110.2	N119 I120 E137	N119-S128 CarbonylContact C-O 3.53Å; N119-S128 WeakPolarHBondContact CA-O 3.27Å; I120-S128 PolarHBondContact N-O 3.08Å; I120-S128 PolarHBondContact O-N 2.79Å; S128-E137 WeakPolarHBondContact CB-OE1 3.44Å; S128-E137 PolarHBondContact OG-OE1 3.14Å
129	V	97.7	Very high	97.6	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	122	170.9	179.5	0	0	0	0	109	M117 I118 N119 V138 F139 F141	M117-V129 HydrophobicContact CB-CG1 4.22Å; M117-V129 HydrophobicContact SD-CG1 3.92Å; I118-V129 WeakPolarHBondContact O-CA 3.32Å; N119-V129 WeakPolarHBondContact OD1-CG2 3.43Å; V129-V138 PolarHBondContact O-N 3.32Å; V129-F139 HydrophobicContact CB-CD2 4.06Å; V129-F139 HydrophobicContact CB-CE1 4.37Å; V129-F139 HydrophobicContact CB-CE2 3.46Å; V129-F139 VanDerWaalsContact CB-CE2 3.46Å; V129-F139 HydrophobicContact CB-CZ 3.68Å; V129-F139 HydrophobicContact CG1-CE1 4.3Å; V129-F139 HydrophobicContact CG1-CE2 4.08Å; V129-F139 HydrophobicContact CG1-CZ 3.75Å; V129-F139 HydrophobicContact CG2-CD2 4.08Å; V129-F139 HydrophobicContact CG2-CE2 3.26Å; V129-F139 HydrophobicContact CG2-CZ 3.74Å; V129-F139 PolarHBondContact N-O 2.94Å; V129-F141 HydrophobicContact CG2-CD2 4.23Å; V129-F141 HydrophobicContact CG2-CE2 3.93Å
130	F	98.6	Very high	97.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	130.5	-175.6	-173.7	-83.5	0	0	0	110.3	L84 F95 Y97 F99 M117 I118 I120 L132 E136 E137	L84-F130 HydrophobicContact CD2-CD1 3.58Å; L84-F130 HydrophobicContact CD2-CD2 4.18Å; L84-F130 HydrophobicContact CD2-CE1 3.59Å; L84-F130 HydrophobicContact CD2-CE2 4.19Å; L84-F130 HydrophobicContact CD2-CG 3.88Å; L84-F130 HydrophobicContact CD2-CZ 3.9Å; F95-F130 AromaticContact CE2-CE1 3.9Å; F95-F130 HydrophobicContact CE2-CE1 3.9Å; F95-F130 AromaticContact CE2-CZ 3.92Å; F95-F130 HydrophobicContact CE2-CZ 3.92Å; F95-F130 AromaticContact CZ-CE1 3.92Å; F95-F130 HydrophobicContact CZ-CE1 3.92Å; F95-F130 HydrophobicContact CZ-CZ 4.41Å; Y97-F130 HydrophobicContact CD1-CD2 4.45Å; Y97-F130 AromaticContact CD1-CE2 3.77Å; Y97-F130 HydrophobicContact CD1-CE2 3.77Å; Y97-F130 AromaticContact CD2-CE2 3.65Å; Y97-F130 HydrophobicContact CD2-CE2 3.65Å; Y97-F130 HydrophobicContact CD2-CZ 4.15Å; Y97-F130 HydrophobicContact CE1-CE2 4.19Å; Y97-F130 HydrophobicContact CE2-CE2 4.08Å; Y97-F130 AromaticContact CG-CE2 3.48Å; Y97-F130 HydrophobicContact CG-CE2 3.48Å; Y97-F130 VanDerWaalsContact CG-CE2 3.48Å; Y97-F130 HydrophobicContact CG-CZ 4.03Å; F99-F130 HydrophobicContact CE1-CD2 4.15Å; F99-F130 AromaticContact CZ-CD2 3.64Å; F99-F130 HydrophobicContact CZ-CD2 3.64Å; F99-F130 HydrophobicContact CZ-CE2 4.18Å; F99-F130 HydrophobicContact CZ-CG 4.42Å; M117-F130 CarbonylContact C-O 3.57Å; M117-F130 VanDerWaalsContact CA-O 3.28Å; M117-F130 WeakPolarHBondContact CA-O 3.26Å; I118-F130 HydrophobicContact CD1-CB 4.25Å; I118-F130 HydrophobicContact CD1-CD1 4.3Å; I118-F130 HydrophobicContact CG1-CB 3.79Å; I118-F130 HydrophobicContact CG1-CD1 4.44Å; I118-F130 PolarHBondContact N-O 2.8Å; I118-F130 PolarHBondContact O-N 2.5Å; I120-F130 HydrophobicContact CD1-CB 3.99Å; F130-L132 HydrophobicContact CD1-CD2 4.23Å; F130-L132 HydrophobicContact CE1-CD2 4.36Å; F130-E136 WeakPolarHBondContact CD2-O 3.4Å; F130-E137 HydrophobicContact CD2-CB 4.37Å
131	S	98.2	Very high	97.4	Very high	3 Å²	3	48 Å²	48	2%	0.021	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	119.9	174.7	173.4	0	0	0	0	109.9	E133 L134 C135 E136	S131-E133 VanDerWaalsContact C-N 3.31Å; S131-E133 PolarHBondContact OG-N 3.32Å; S131-L134 WeakPolarHBondContact OG-CB 3.27Å; S131-L134 WeakPolarHBondContact OG-CG 3.1Å; S131-L134 PolarHBondContact OG-N 3.38Å; S131-L134 VanDerWaalsContact OG-N 3.09Å; S131-C135 VanDerWaalsContact O-CA 3.25Å; S131-C135 WeakPolarHBondContact O-CA 2.91Å; S131-C135 PolarHBondContact O-N 2.81Å; S131-E136 PolarHBondContact N-O 2.96Å; S131-E136 PolarHBondContact O-N 2.88Å
132	L	97.2	Very high	97.3	Very high	16 Å²	16	53.9 Å²	53.9	8%	0.084	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-26.3	175.8	-63.7	175.1	0	0	0	112.4	L77 F95 E116 I118 F130 C135	L77-L132 HydrophobicContact CD1-CD2 4.17Å; L77-L132 HydrophobicContact CD2-CD2 3.82Å; F95-L132 HydrophobicContact CE1-CD2 4.35Å; F95-L132 HydrophobicContact CZ-CD2 4.04Å; E116-L132 VanDerWaalsContact O-CB 3.3Å; E116-L132 WeakPolarHBondContact O-CB 3.26Å; E116-L132 PolarHBondContact O-N 2.67Å; I118-L132 HydrophobicContact CD1-CD2 4.15Å; I118-L132 HydrophobicContact CG2-CD1 3.88Å; I118-L132 HydrophobicContact CG2-CD2 4.34Å; I118-L132 HydrophobicContact CG2-CG 4.16Å; F130-L132 HydrophobicContact CD1-CD2 4.23Å; F130-L132 HydrophobicContact CE1-CD2 4.36Å; L132-C135 PolarHBondContact O-SG 3.15Å
133	E	95.8	Very high	97.1	Very high	155 Å²	155	55.5 Å²	55.5	72%	0.724	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-48.8	176.4	-177.2	178.7	-178.4	0	0	111	S131 C135	S131-E133 VanDerWaalsContact C-N 3.31Å; S131-E133 PolarHBondContact OG-N 3.32Å; E133-C135 VanDerWaalsContact C-N 3.3Å
134	L	97.4	Very high	97	Very high	104 Å²	104	61.2 Å²	61.2	55%	0.545	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-15.7	-179.4	-57.6	175.9	0	0	0	112.6	S131 E136	S131-L134 WeakPolarHBondContact OG-CB 3.27Å; S131-L134 WeakPolarHBondContact OG-CG 3.1Å; S131-L134 PolarHBondContact OG-N 3.38Å; S131-L134 VanDerWaalsContact OG-N 3.09Å; L134-E136 VanDerWaalsContact C-N 3.3Å; L134-E136 HydrophobicContact CB-CG 3.85Å; L134-E136 PolarHBondContact O-N 2.8Å
135	C	97.5	Very high	96.9	Very high	50 Å²	50	62 Å²	62	34%	0.338	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	40.3	-175.1	-62.2	0	0	0	0	113.2	F95 Y97 S131 L132 E133	F95-C135 HydrophobicContact CD2-CB 4.5Å; F95-C135 HydrophobicContact CG-CB 4.49Å; Y97-C135 WeakPolarHBondContact CD2-O 3.44Å; S131-C135 VanDerWaalsContact O-CA 3.25Å; S131-C135 WeakPolarHBondContact O-CA 2.91Å; S131-C135 PolarHBondContact O-N 2.81Å; L132-C135 PolarHBondContact O-SG 3.15Å; E133-C135 VanDerWaalsContact C-N 3.3Å
136	E	97.9	Very high	96.8	Very high	95 Å²	95	66.2 Å²	66.2	44%	0.444	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	156	-179.8	70.1	-174.8	164.3	0	0	113.3	Y97 F130 S131 L134 V138	Y97-E136 HydrophobicContact CE2-CB 4.48Å; F130-E136 WeakPolarHBondContact CD2-O 3.4Å; S131-E136 PolarHBondContact N-O 2.96Å; S131-E136 PolarHBondContact O-N 2.88Å; L134-E136 VanDerWaalsContact C-N 3.3Å; L134-E136 HydrophobicContact CB-CG 3.85Å; L134-E136 PolarHBondContact O-N 2.8Å; E136-V138 PolarHBondContact O-N 3.11Å
137	E	97.8	Very high	96.9	Very high	47 Å²	47	65.8 Å²	65.8	22%	0.22	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	122.2	167.2	-175.6	177.5	-138	0	0	109.5	F99 S128 F130 Q140	F99-E137 HydrophobicContact CE1-CB 4.03Å; F99-E137 HydrophobicContact CE1-CG 4.25Å; S128-E137 WeakPolarHBondContact CB-OE1 3.44Å; S128-E137 PolarHBondContact OG-OE1 3.14Å; F130-E137 HydrophobicContact CD2-CB 4.37Å; E137-Q140 VanDerWaalsContact OE1-CG 3.23Å; E137-Q140 WeakPolarHBondContact OE1-CG 3.49Å; E137-Q140 PolarHBondContact OE1-NE2 2.95Å; E137-Q140 PolarHBondContact OE2-NE2 3.31Å; E137-Q140 VanDerWaalsContact OE2-NE2 3.13Å
138	V	97.5	Very high	96.9	Very high	66 Å²	66	65.4 Å²	65.4	40%	0.4	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-49.2	-174.7	-169.6	0	0	0	0	110.6	V129 E136	V129-V138 PolarHBondContact O-N 3.32Å; E136-V138 PolarHBondContact O-N 3.11Å
139	F	96.5	Very high	96.9	Very high	85 Å²	85	67.4 Å²	67.4	37%	0.373	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	173.2	177.2	57.3	-101.6	0	0	0	110.6	V129 F141	V129-F139 HydrophobicContact CB-CD2 4.06Å; V129-F139 HydrophobicContact CB-CE1 4.37Å; V129-F139 HydrophobicContact CB-CE2 3.46Å; V129-F139 VanDerWaalsContact CB-CE2 3.46Å; V129-F139 HydrophobicContact CB-CZ 3.68Å; V129-F139 HydrophobicContact CG1-CE1 4.3Å; V129-F139 HydrophobicContact CG1-CE2 4.08Å; V129-F139 HydrophobicContact CG1-CZ 3.75Å; V129-F139 HydrophobicContact CG2-CD2 4.08Å; V129-F139 HydrophobicContact CG2-CE2 3.26Å; V129-F139 HydrophobicContact CG2-CZ 3.74Å; V129-F139 PolarHBondContact N-O 2.94Å; F139-F141 HydrophobicContact CD2-CD1 4.14Å; F139-F141 HydrophobicContact CD2-CD2 4.34Å; F139-F141 AromaticContact CD2-CE1 3.7Å; F139-F141 HydrophobicContact CD2-CE1 3.7Å; F139-F141 HydrophobicContact CD2-CE2 4Å; F139-F141 HydrophobicContact CD2-CG 4.45Å; F139-F141 AromaticContact CD2-CZ 3.66Å; F139-F141 HydrophobicContact CD2-CZ 3.66Å; F139-F141 HydrophobicContact CE2-CD1 4.19Å; F139-F141 AromaticContact CE2-CD2 3.86Å; F139-F141 HydrophobicContact CE2-CD2 3.86Å; F139-F141 AromaticContact CE2-CE1 3.49Å; F139-F141 HydrophobicContact CE2-CE1 3.49Å; F139-F141 VanDerWaalsContact CE2-CE1 3.49Å; F139-F141 AromaticContact CE2-CE2 3.16Å; F139-F141 HydrophobicContact CE2-CE2 3.16Å; F139-F141 HydrophobicContact CE2-CG 4.36Å; F139-F141 AromaticContact CE2-CZ 2.93Å; F139-F141 HydrophobicContact CE2-CZ 2.93Å; F139-F141 HydrophobicContact CZ-CE1 4.29Å; F139-F141 AromaticContact CZ-CE2 3.95Å; F139-F141 HydrophobicContact CZ-CE2 3.95Å; F139-F141 AromaticContact CZ-CZ 3.54Å; F139-F141 HydrophobicContact CZ-CZ 3.54Å
140	Q	96.9	Very high	96.9	Very high	82 Å²	82	70.4 Å²	70.4	38%	0.383	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	144.9	174.2	-67.8	168	16.7	0	0	110.4	I127 E137	I127-Q140 CarbonylContact O-C 3.07Å; I127-Q140 VanDerWaalsContact O-CA 3.3Å; I127-Q140 WeakPolarHBondContact O-CA 3.17Å; E137-Q140 VanDerWaalsContact OE1-CG 3.23Å; E137-Q140 WeakPolarHBondContact OE1-CG 3.49Å; E137-Q140 PolarHBondContact OE1-NE2 2.95Å; E137-Q140 PolarHBondContact OE2-NE2 3.31Å; E137-Q140 VanDerWaalsContact OE2-NE2 3.13Å
141	F	94.3	Very high	96.8	Very high	114 Å²	114	70.7 Å²	70.7	50%	0.5	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	135.8	167.9	-54.7	-61.3	0	0	0	110.1	T126 I127 V129 F139	T126-F141 CarbonylContact C-O 3.57Å; T126-F141 WeakPolarHBondContact CA-O 3.28Å; I127-F141 PolarHBondContact N-O 2.89Å; I127-F141 PolarHBondContact O-N 2.79Å; V129-F141 HydrophobicContact CG2-CD2 4.23Å; V129-F141 HydrophobicContact CG2-CE2 3.93Å; F139-F141 HydrophobicContact CD2-CD1 4.14Å; F139-F141 HydrophobicContact CD2-CD2 4.34Å; F139-F141 AromaticContact CD2-CE1 3.7Å; F139-F141 HydrophobicContact CD2-CE1 3.7Å; F139-F141 HydrophobicContact CD2-CE2 4Å; F139-F141 HydrophobicContact CD2-CG 4.45Å; F139-F141 AromaticContact CD2-CZ 3.66Å; F139-F141 HydrophobicContact CD2-CZ 3.66Å; F139-F141 HydrophobicContact CE2-CD1 4.19Å; F139-F141 AromaticContact CE2-CD2 3.86Å; F139-F141 HydrophobicContact CE2-CD2 3.86Å; F139-F141 AromaticContact CE2-CE1 3.49Å; F139-F141 HydrophobicContact CE2-CE1 3.49Å; F139-F141 VanDerWaalsContact CE2-CE1 3.49Å; F139-F141 AromaticContact CE2-CE2 3.16Å; F139-F141 HydrophobicContact CE2-CE2 3.16Å; F139-F141 HydrophobicContact CE2-CG 4.36Å; F139-F141 AromaticContact CE2-CZ 2.93Å; F139-F141 HydrophobicContact CE2-CZ 2.93Å; F139-F141 HydrophobicContact CZ-CE1 4.29Å; F139-F141 AromaticContact CZ-CE2 3.95Å; F139-F141 HydrophobicContact CZ-CE2 3.95Å; F139-F141 AromaticContact CZ-CZ 3.54Å; F139-F141 HydrophobicContact CZ-CZ 3.54Å
142	V	96.7	Very high	96.6	Very high	122 Å²	122	78.9 Å²	78.9	74%	0.739	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80	131.8	173	-179.1	0	0	0	0	108.8	P125 T126	P125-V142 WeakPolarHBondContact O-CA 3.3Å; T126-V142 HydrophobicContact CG2-CG2 4.31Å
143	L	95.2	Very high	96.3	Very high	35 Å²	35	80.9 Å²	80.9	18%	0.183	40%	0.398	C	S	.	.			trans	-85.9	151.9	175.7	-62.3	175.4	0	0	0	110.6	P125 I127 E145 D147 C148	P125-L143 PolarHBondContact O-N 2.8Å; I127-L143 HydrophobicContact CD1-CD1 4.45Å; I127-L143 HydrophobicContact CD1-CD2 3.74Å; I127-L143 HydrophobicContact CG1-CD1 4.04Å; I127-L143 HydrophobicContact CG1-CD2 3.93Å; I127-L143 HydrophobicContact CG1-CG 4.22Å; L143-E145 WeakPolarHBondContact CB-O 3.39Å; L143-D147 WeakPolarHBondContact CD1-O 3.36Å; L143-C148 HydrophobicContact CD1-CB 3.66Å
144	E	94.5	Very high	95.9	Very high	204 Å²	204	76.9 Å²	76.9	95%	0.953	38%	0.384	S	S	*	.	S	Bend	trans	-69.3	-28.6	166.2	-64.2	-171.6	170.1	0	0	111.7
145	E	95.3	Very high	95.1	Very high	30 Å²	30	79.9 Å²	79.9	14%	0.14	40%	0.401	C	S	.	.	S	Bend	trans	-90.9	167.4	176.9	-59.3	-67.3	150.6	0	0	111.5	L143 D147 H162 N164 K166	L143-E145 WeakPolarHBondContact CB-O 3.39Å; E145-D147 PolarHBondContact O-N 3.43Å; E145-H162 VanDerWaalsContact CB-CE1 3.43Å; E145-H162 WeakPolarHBondContact CB-CE1 3.09Å; E145-H162 WeakPolarHBondContact CB-ND1 3.18Å; E145-N164 PolarHBondContact OE2-ND2 3.47Å; E145-K166 VanDerWaalsContact OE1-CD 3.26Å; E145-K166 WeakPolarHBondContact OE1-CD 3.23Å; E145-K166 IonicContact OE1-NZ 3.29Å; E145-K166 PolarHBondContact OE1-NZ 3.35Å; E145-K166 IonicContact OE2-NZ 3.44Å
146	Q	96.4	Very high	94.5	Very high	156 Å²	156	80.4 Å²	80.4	73%	0.729	41%	0.409	S	S	*	.	S	Bend	trans	-78	-18.8	-172.4	-65.9	-175.2	-3.3	0	0	114.8	Q124 P125	Q124-Q146 CarbonylContact C-O 3.53Å; P125-Q146 VanDerWaalsContact CA-O 3.3Å; P125-Q146 WeakPolarHBondContact CA-O 3.49Å
147	D	98	Very high	94.1	Very high	10 Å²	10	79.9 Å²	79.9	5%	0.053	41%	0.408	C	S	.	.			trans	-158.1	178.1	-173.6	54.8	51.9	0	0	0	111.4	G122 L123 Q124 L143 E145 V149 H162 S163	G122-D147 WeakPolarHBondContact O-CA 3.47Å; G122-D147 WeakPolarHBondContact O-CB 3.48Å; L123-D147 HydrophobicContact CD2-CB 4.47Å; Q124-D147 WeakPolarHBondContact O-CA 3.42Å; L143-D147 WeakPolarHBondContact CD1-O 3.36Å; E145-D147 PolarHBondContact O-N 3.43Å; D147-V149 HydrophobicContact CB-CG1 4.42Å; D147-H162 PolarHBondContact O-CE1 2.84Å; D147-H162 PolarHBondContact O-ND1 2.9Å; D147-H162 VanDerWaalsContact OD1-CA 3.3Å; D147-H162 WeakPolarHBondContact OD1-CA 3.25Å; D147-S163 PolarHBondContact OD1-N 2.58Å; D147-S163 WeakPolarHBondContact OD2-CB 3.3Å; D147-S163 PolarHBondContact OD2-OG 2.77Å
148	C	97.8	Very high	93.8	Very high	0 Å²	0	79.4 Å²	79.4	0%	0	41%	0.407	C	S	.	.			trans	-147.3	96.6	165.5	-179.7	0	0	0	0	108.3	G121 G122 I127 L143 M151 T160	G121-C148 CarbonylContact C-O 3.59Å; G121-C148 WeakPolarHBondContact CA-O 3.43Å; G122-C148 WeakPolarHBondContact CA-O 3.38Å; G122-C148 PolarHBondContact N-O 2.82Å; G122-C148 PolarHBondContact O-N 3.46Å; I127-C148 HydrophobicContact CG1-CB 4.35Å; L143-C148 HydrophobicContact CD1-CB 3.66Å; C148-M151 WeakPolarHBondContact SG-CG 3.34Å; C148-T160 VanDerWaalsContact SG-CB 3.54Å
149	V	97.7	Very high	93.7	Very high	41 Å²	41	78 Å²	78	25%	0.248	40%	0.399	C	S	.	.			trans	-90.4	-20.4	-170.6	-61.7	0	0	0	0	113.3	Q106 C107 L123 D147 G161	Q106-V149 HydrophobicContact CB-CB 4.49Å; Q106-V149 HydrophobicContact CG-CB 4.48Å; Q106-V149 HydrophobicContact CG-CG1 4.37Å; C107-V149 VanDerWaalsContact SG-C 3.55Å; C107-V149 PolarHBondContact SG-O 3Å; L123-V149 HydrophobicContact CD2-CG1 3.54Å; L123-V149 HydrophobicContact CG-CG1 4.45Å; D147-V149 HydrophobicContact CB-CG1 4.42Å; V149-G161 WeakPolarHBondContact CG2-O 3.4Å; V149-G161 PolarHBondContact N-O 2.87Å
150	V	97.3	Very high	93.7	Very high	64 Å²	64	74.7 Å²	74.7	39%	0.388	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	138.8	173	62.7	0	0	0	0	109.5	C107 G161	C107-V150 VanDerWaalsContact SG-C 3.54Å; C107-V150 WeakPolarHBondContact SG-CA 3.37Å; V150-G161 PolarHBondContact N-O 2.86Å; V150-G161 PolarHBondContact O-N 3.45Å
151	M	96.5	Very high	93.7	Very high	5 Å²	5	71.1 Å²	71.1	3%	0.025	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	144.9	173	-72.5	-174.9	-70.5	0	0	109.8	C107 V109 N119 I127 C148 L158 V159 T160	C107-M151 PolarHBondContact SG-N 2.77Å; C107-M151 VanDerWaalsContact SG-N 3.39Å; V109-M151 HydrophobicContact CG1-CB 3.83Å; V109-M151 VanDerWaalsContact CG1-O 3.28Å; V109-M151 WeakPolarHBondContact CG1-O 3.35Å; V109-M151 HydrophobicContact CG2-CB 3.84Å; V109-M151 HydrophobicContact CG2-SD 4.42Å; N119-M151 HydrophobicContact CB-CE 4.35Å; N119-M151 HydrophobicContact CB-SD 4.27Å; N119-M151 VanDerWaalsContact O-CE 3.25Å; N119-M151 WeakPolarHBondContact O-CE 3.5Å; I127-M151 HydrophobicContact CD1-SD 3.82Å; I127-M151 HydrophobicContact CG1-SD 4.37Å; C148-M151 WeakPolarHBondContact SG-CG 3.34Å; M151-L158 HydrophobicContact CB-CD1 4.07Å; M151-L158 HydrophobicContact CG-CD1 4.25Å; M151-L158 HydrophobicContact SD-CD1 4.08Å; M151-L158 HydrophobicContact SD-CD2 4.33Å; M151-V159 WeakPolarHBondContact CA-O 3.49Å; M151-T160 HydrophobicContact CG-CG2 4.21Å
152	R	94.8	Very high	93.9	Very high	176 Å²	176	66.2 Å²	66.2	66%	0.664	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140	148.5	169.8	-64.7	-62.5	171	90.8	-0.7	109.1	V159	R152-V159 PolarHBondContact N-O 3.3Å; R152-V159 WeakPolarHBondContact O-CA 3.47Å; R152-V159 PolarHBondContact O-N 3.35Å
153	N	90.7	Very high	93.9	Very high	57 Å²	57	64.1 Å²	64.1	31%	0.305	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	153.9	172.6	-63	-26.2	0	0	0	111	V109 V110 L157 L158	V109-N153 WeakPolarHBondContact CG2-OD1 3.3Å; V110-N153 PolarHBondContact O-ND2 3.25Å; N153-L157 CarbonylContact C-O 3.59Å; N153-L157 WeakPolarHBondContact CA-O 3.44Å; N153-L158 WeakPolarHBondContact OD1-CD1 3.45Å
154	T	86.6	Confident	94	Very high	72 Å²	72	67 Å²	67	44%	0.442	36%	0.356	S	S	.	.			trans	-108	177.8	149.4	64.6	0	0	0	0	107.9	A156 L157	T154-A156 PolarHBondContact O-N 3.48Å; T154-A156 PolarHBondContact OG1-N 3.48Å; T154-L157 PolarHBondContact N-O 3.47Å; T154-L157 WeakPolarHBondContact OG1-CB 3.48Å; T154-L157 PolarHBondContact OG1-N 2.9Å; T154-L157 PolarHBondContact OG1-O 3.09Å
155	D	81.9	Confident	94	Very high	166 Å²	166	60.4 Å²	60.4	89%	0.888	34%	0.343	S	S	*	.	S	Bend	trans	-60.3	-14.4	176.5	-60	-24.6	0	0	0	113.8
156	A	84.5	Confident	94.1	Very high	61 Å²	61	64.2 Å²	64.2	50%	0.504	36%	0.359	S	S	.	.	S	Bend	trans	-129.2	-15.2	-175	0	0	0	0	0	115	T154	T154-A156 PolarHBondContact O-N 3.48Å; T154-A156 PolarHBondContact OG1-N 3.48Å
157	L	89.4	Confident	94.1	Very high	84 Å²	84	61.8 Å²	61.8	44%	0.44	36%	0.355	S	S	.	.			trans	-138	144.1	-169.9	-61.2	170.7	0	0	0	111.6	N153 T154	N153-L157 CarbonylContact C-O 3.59Å; N153-L157 WeakPolarHBondContact CA-O 3.44Å; T154-L157 PolarHBondContact N-O 3.47Å; T154-L157 WeakPolarHBondContact OG1-CB 3.48Å; T154-L157 PolarHBondContact OG1-N 2.9Å; T154-L157 PolarHBondContact OG1-O 3.09Å
158	L	91.5	Very high	93.8	Very high	38 Å²	38	63.3 Å²	63.3	20%	0.199	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	123	163.7	175.1	64.9	0	0	0	108	V109 I127 M151 N153 T160	V109-L158 HydrophobicContact CG2-CD1 3.59Å; I127-L158 HydrophobicContact CD1-CD2 4.28Å; M151-L158 HydrophobicContact CB-CD1 4.07Å; M151-L158 HydrophobicContact CG-CD1 4.25Å; M151-L158 HydrophobicContact SD-CD1 4.08Å; M151-L158 HydrophobicContact SD-CD2 4.33Å; N153-L158 WeakPolarHBondContact OD1-CD1 3.45Å; L158-T160 HydrophobicContact CD2-CG2 4.45Å; L158-T160 HydrophobicContact CG-CG2 4.28Å
159	V	94.6	Very high	93.4	Very high	37 Å²	37	70 Å²	70	22%	0.224	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	121.8	176.7	-174.4	0	0	0	0	108.5	M151 R152 V167 C168 T169	M151-V159 WeakPolarHBondContact CA-O 3.49Å; R152-V159 PolarHBondContact N-O 3.3Å; R152-V159 WeakPolarHBondContact O-CA 3.47Å; R152-V159 PolarHBondContact O-N 3.35Å; V159-V167 HydrophobicContact CG1-CG1 3.48Å; V159-V167 VanDerWaalsContact CG1-CG1 3.48Å; V159-C168 CarbonylContact C-O 3.53Å; V159-C168 WeakPolarHBondContact CA-O 3.32Å; V159-T169 HydrophobicContact CG1-CG2 4.3Å; V159-T169 HydrophobicContact CG2-CG2 4.07Å
160	T	96.4	Very high	93.2	Very high	14 Å²	14	71.4 Å²	71.4	9%	0.086	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	139.7	180	61	0	0	0	0	110.7	I127 C148 M151 L158 H162 V167 C168	I127-T160 HydrophobicContact CD1-CG2 4.03Å; C148-T160 VanDerWaalsContact SG-CB 3.54Å; M151-T160 HydrophobicContact CG-CG2 4.21Å; L158-T160 HydrophobicContact CD2-CG2 4.45Å; L158-T160 HydrophobicContact CG-CG2 4.28Å; T160-H162 PolarHBondContact OG1-NE2 2.93Å; T160-V167 CarbonylContact O-C 3.6Å; T160-V167 VanDerWaalsContact O-CA 3.26Å; T160-V167 WeakPolarHBondContact O-CA 3.49Å; T160-C168 PolarHBondContact N-O 3.13Å; T160-C168 PolarHBondContact O-N 2.99Å; T160-C168 WeakPolarHBondContact OG1-CB 3.34Å
161	G	97.6	Very high	93	Very high	8 Å²	8	71.8 Å²	71.8	8%	0.082	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	138.3	170.6	0	0	0	0	0	110.2	V149 V150 K166	V149-G161 WeakPolarHBondContact CG2-O 3.4Å; V149-G161 PolarHBondContact N-O 2.87Å; V150-G161 PolarHBondContact N-O 2.86Å; V150-G161 PolarHBondContact O-N 3.45Å; G161-K166 WeakPolarHBondContact CA-O 3.41Å
162	H	98	Very high	92.8	Very high	10 Å²	10	75.5 Å²	75.5	5%	0.046	44%	0.437	C	S	.	.			trans	-114.2	153.8	-169.2	-58.7	-83.2	0	0	0	110.7	E145 D147 T160 N164 G165 K166	E145-H162 VanDerWaalsContact CB-CE1 3.43Å; E145-H162 WeakPolarHBondContact CB-CE1 3.09Å; E145-H162 WeakPolarHBondContact CB-ND1 3.18Å; D147-H162 PolarHBondContact O-CE1 2.84Å; D147-H162 PolarHBondContact O-ND1 2.9Å; D147-H162 VanDerWaalsContact OD1-CA 3.3Å; D147-H162 WeakPolarHBondContact OD1-CA 3.25Å; T160-H162 PolarHBondContact OG1-NE2 2.93Å; H162-N164 VanDerWaalsContact CB-OD1 3.27Å; H162-N164 WeakPolarHBondContact CB-OD1 3.49Å; H162-N164 PolarHBondContact O-N 2.95Å; H162-N164 VanDerWaalsContact O-N 3.15Å; H162-G165 PolarHBondContact O-N 2.93Å; H162-K166 HydrophobicContact CB-CB 4.31Å; H162-K166 PolarHBondContact CD2-O 3.49Å; H162-K166 PolarHBondContact N-O 2.7Å
163	S	97.4	Very high	92.6	Very high	78 Å²	78	69.6 Å²	69.6	55%	0.545	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-23.6	-178.1	72.4	0	0	0	0	113.2	D147 G165	D147-S163 PolarHBondContact OD1-N 2.58Å; D147-S163 WeakPolarHBondContact OD2-CB 3.3Å; D147-S163 PolarHBondContact OD2-OG 2.77Å; S163-G165 PolarHBondContact O-N 2.97Å
164	N	96.5	Very high	92.8	Very high	95 Å²	95	70.4 Å²	70.4	51%	0.508	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	0.8	174.2	67.8	10.8	0	0	0	113.7	E145 H162 K166	E145-N164 PolarHBondContact OE2-ND2 3.47Å; H162-N164 VanDerWaalsContact CB-OD1 3.27Å; H162-N164 WeakPolarHBondContact CB-OD1 3.49Å; H162-N164 PolarHBondContact O-N 2.95Å; H162-N164 VanDerWaalsContact O-N 3.15Å; N164-K166 VanDerWaalsContact OD1-CB 3.32Å; N164-K166 WeakPolarHBondContact OD1-CB 3.48Å; N164-K166 PolarHBondContact OD1-N 3.45Å
165	G	96.1	Very high	93.2	Very high	66 Å²	66	70.3 Å²	70.3	68%	0.68	43%	0.431	S	S	*	.	S	Bend	trans	85.3	1.5	179.6	0	0	0	0	0	115.1	H162 S163	H162-G165 PolarHBondContact O-N 2.93Å; S163-G165 PolarHBondContact O-N 2.97Å
166	K	96.6	Very high	94	Very high	110 Å²	110	63.4 Å²	63.4	48%	0.478	40%	0.398	S	S	.	.			trans	-70.5	152.5	171.2	-88.7	178.8	165.5	178.2	0	111.7	E145 G161 H162 N164	E145-K166 VanDerWaalsContact OE1-CD 3.26Å; E145-K166 WeakPolarHBondContact OE1-CD 3.23Å; E145-K166 IonicContact OE1-NZ 3.29Å; E145-K166 PolarHBondContact OE1-NZ 3.35Å; E145-K166 IonicContact OE2-NZ 3.44Å; G161-K166 WeakPolarHBondContact CA-O 3.41Å; H162-K166 HydrophobicContact CB-CB 4.31Å; H162-K166 PolarHBondContact CD2-O 3.49Å; H162-K166 PolarHBondContact N-O 2.7Å; N164-K166 VanDerWaalsContact OD1-CB 3.32Å; N164-K166 WeakPolarHBondContact OD1-CB 3.48Å; N164-K166 PolarHBondContact OD1-N 3.45Å
167	V	95.9	Very high	94.7	Very high	106 Å²	106	63.6 Å²	63.6	64%	0.642	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.7	128.5	168.7	-178.7	0	0	0	0	108	V159 T160	V159-V167 HydrophobicContact CG1-CG1 3.48Å; V159-V167 VanDerWaalsContact CG1-CG1 3.48Å; T160-V167 CarbonylContact O-C 3.6Å; T160-V167 VanDerWaalsContact O-CA 3.26Å; T160-V167 WeakPolarHBondContact O-CA 3.49Å
168	C	92.7	Very high	95.2	Very high	42 Å²	42	61.9 Å²	61.9	28%	0.284	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	155	-179	-62.7	0	0	0	0	110.2	V159 T160	V159-C168 CarbonylContact C-O 3.53Å; V159-C168 WeakPolarHBondContact CA-O 3.32Å; T160-C168 PolarHBondContact N-O 3.13Å; T160-C168 PolarHBondContact O-N 2.99Å; T160-C168 WeakPolarHBondContact OG1-CB 3.34Å
169	T	88.4	Confident	95.5	Very high	139 Å²	139	64.1 Å²	64.1	85%	0.853	40%	0.403	S	S	*	.			trans	-130.3	0	179.6	59.8	0	0	0	0	110.5	V159	V159-T169 HydrophobicContact CG1-CG2 4.3Å; V159-T169 HydrophobicContact CG2-CG2 4.07Å

Retrieved 169 of 169 residues in 50.1 ms (Link to these results)

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