A0A096MU77_PAPAN Loading...

Peptidyl-prolyl cis-trans isomerase

PPIase that catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides and may therefore assist protein folding. Participates in pre-mRNA splicing. May play a role in the assembly of the U4/U5/U6 tri-snRNP complex, one of the building blocks of the spliceosome. May act as a chaperone. PPIases accelerate the folding of proteins. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides.

AlphaFold DB (A0A0D9S7K8), UniProt , Accession A0A096MU77, Species PAPAN (Papio anubis, Olive baboon), Gene PPIH, Length 177 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50.6	Low	77	Confident	231 Å²	231	82.6 Å²	82.6	100%	1.138	52%	0.517	S	S	*	.				0	136.8	0	-68	-171.4	-169.4	0	0	107.2
2	A	61.3	Low	78.8	Confident	74 Å²	74	77.5 Å²	77.5	61%	0.612	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-68.9	141.2	172.7	0	0	0	0	0	109.5	I145	A2-I145 CarbonylContact C-O 3.52Å; A2-I145 VanDerWaalsContact CA-O 3.25Å; A2-I145 WeakPolarHBondContact CA-O 3.43Å
3	V	70.9	Confident	80.3	Confident	87 Å²	87	71.5 Å²	71.5	53%	0.527	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-98.6	138.1	174.4	-171.4	0	0	0	0	107.5	I145	V3-I145 PolarHBondContact N-O 2.83Å
4	A	69.7	Low	81.6	Confident	82 Å²	82	68.5 Å²	68.5	68%	0.678	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-64.5	149.4	177.1	0	0	0	0	0	111.8
5	N	74.9	Confident	82.8	Confident	69 Å²	69	63.9 Å²	63.9	37%	0.369	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-59.1	142.1	172.4	-69.8	18	0	0	0	110.3	S7 V12 E30 I145	N5-S7 VanDerWaalsContact C-N 3.31Å; N5-V12 VanDerWaalsContact ND2-CG2 3.32Å; N5-V12 WeakPolarHBondContact ND2-CG2 3.21Å; N5-E30 VanDerWaalsContact CA-OE2 3.27Å; N5-E30 WeakPolarHBondContact CA-OE2 3.2Å; N5-I145 VanDerWaalsContact OD1-CD1 3.31Å; N5-I145 WeakPolarHBondContact OD1-CD1 3.32Å
6	S	78.8	Confident	83.8	Confident	73 Å²	73	61.6 Å²	61.6	51%	0.51	38%	0.38	S	S	.	.	S	Bend	trans	-71.1	-28.2	173.4	4.7	0	0	0	0	112.7	E30 K143	S6-E30 WeakPolarHBondContact CB-OE1 3.34Å; S6-E30 VanDerWaalsContact N-CD 3.29Å; S6-E30 PolarHBondContact N-OE1 2.87Å; S6-E30 PolarHBondContact N-OE2 3.19Å; S6-E30 PolarHBondContact OG-OE1 3.2Å; S6-E30 PolarHBondContact OG-OE2 3.33Å; S6-K143 PolarHBondContact OG-NZ 2.87Å; S6-K143 VanDerWaalsContact OG-NZ 3.09Å
7	S	82.8	Confident	84.6	Confident	20 Å²	20	57.9 Å²	57.9	14%	0.14	36%	0.358	C	S	.	.			trans	-144.8	139.9	-179.9	-177.7	0	0	0	0	111.1	N5 V9 N10 E30	N5-S7 VanDerWaalsContact C-N 3.31Å; S7-V9 PolarHBondContact O-N 2.87Å; S7-V9 VanDerWaalsContact OG-CG2 3.25Å; S7-V9 WeakPolarHBondContact OG-CG2 3.42Å; S7-N10 PolarHBondContact O-N 3.45Å; S7-E30 PolarHBondContact N-OE1 2.86Å
8	P	77.2	Confident	85.4	Confident	130 Å²	130	55.3 Å²	55.3	84%	0.844	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-15.7	178.9	28.4	-34.3	0	0	0	113.6
9	V	85.6	Confident	86.1	Confident	111 Å²	111	53.7 Å²	53.7	67%	0.673	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-7	177.7	-62.7	0	0	0	0	113.3	S7	S7-V9 PolarHBondContact O-N 2.87Å; S7-V9 VanDerWaalsContact OG-CG2 3.25Å; S7-V9 WeakPolarHBondContact OG-CG2 3.42Å
10	N	97.1	Very high	86.7	Confident	7 Å²	7	53.1 Å²	53.1	4%	0.037	34%	0.335	C	S	.	.	S	Bend	trans	-77	127.3	-177.4	-84.4	-10	0	0	0	111	S7 E30 L31 A33 D34	S7-N10 PolarHBondContact O-N 3.45Å; N10-E30 HydrophobicContact CB-CG 3.81Å; N10-E30 PolarHBondContact ND2-OE1 3.06Å; N10-L31 WeakPolarHBondContact CB-O 3.37Å; N10-L31 PolarHBondContact OD1-O 3.38Å; N10-A33 PolarHBondContact OD1-N 3.15Å; N10-D34 PolarHBondContact ND2-OD1 2.94Å; N10-D34 PolarHBondContact OD1-N 3.02Å; N10-D34 VanDerWaalsContact OD1-N 3.12Å; N10-D34 PolarHBondContact OD1-OD1 2.9Å
11	P	97.9	Very high	87.2	Confident	25 Å²	25	53.7 Å²	53.7	16%	0.162	35%	0.352	C	S	.	.			trans	-59.3	145.6	175.5	-23.4	33.6	0	0	0	111.8	L31 A33	P11-L31 HydrophobicContact CB-CB 4.46Å; P11-L31 HydrophobicContact CB-CD1 4.43Å; P11-L31 PolarHBondContact O-N 3.28Å; P11-A33 HydrophobicContact CG-CB 4.19Å
12	V	98.4	Very high	89.5	Confident	21 Å²	21	49.9 Å²	49.9	13%	0.127	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	121.7	170.5	178.2	0	0	0	0	108.5	N5 K28 I29 I145 M177	N5-V12 VanDerWaalsContact ND2-CG2 3.32Å; N5-V12 WeakPolarHBondContact ND2-CG2 3.21Å; V12-K28 HydrophobicContact CG1-CB 4.35Å; V12-I29 WeakPolarHBondContact CA-O 3.28Å; V12-I145 HydrophobicContact CG1-CD1 3.81Å; V12-I145 HydrophobicContact CG2-CD1 3.97Å; V12-M177 HydrophobicContact CB-CB 4.29Å; V12-M177 HydrophobicContact CG1-CB 4.18Å; V12-M177 HydrophobicContact CG1-CG 4.18Å; V12-M177 HydrophobicContact CG1-SD 4.02Å; V12-M177 PolarHBondContact O-N 3.19Å
13	V	98.8	Very high	91.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	165.4	174.1	-62.1	0	0	0	0	110.6	K28 I29 L31 F43 R44 C47 G175 E176	V13-K28 WeakPolarHBondContact O-CA 3.41Å; V13-I29 HydrophobicContact CG2-CB 4Å; V13-I29 PolarHBondContact N-O 3.34Å; V13-I29 PolarHBondContact O-N 3.19Å; V13-L31 HydrophobicContact CG1-CD1 3.76Å; V13-L31 HydrophobicContact CG1-CG 4.39Å; V13-L31 HydrophobicContact CG2-CD1 4.04Å; V13-L31 HydrophobicContact CG2-CD2 3.91Å; V13-L31 HydrophobicContact CG2-CG 3.99Å; V13-F43 HydrophobicContact CG2-CD1 4.08Å; V13-F43 HydrophobicContact CG2-CE1 3.79Å; V13-R44 HydrophobicContact CG1-CG 4.07Å; V13-C47 HydrophobicContact CB-CB 4.11Å; V13-C47 HydrophobicContact CG1-CB 4.02Å; V13-G175 CarbonylContact C-O 2.9Å; V13-G175 WeakPolarHBondContact CA-O 3.45Å; V13-G175 VanDerWaalsContact CB-O 3.27Å; V13-G175 WeakPolarHBondContact CB-O 3.35Å; V13-E176 HydrophobicContact CG1-CB 4.43Å
14	F	98.8	Very high	92.5	Very high	29 Å²	29	49.1 Å²	49.1	13%	0.127	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	155.3	177	73.5	-88.9	0	0	0	113.2	R26 M27 Q173 C174 G175 M177	F14-R26 HydrophobicContact CB-CG 4Å; F14-R26 HydrophobicContact CD2-CG 4.3Å; F14-M27 CarbonylContact C-O 3.6Å; F14-M27 WeakPolarHBondContact CA-O 3.49Å; F14-M27 WeakPolarHBondContact CB-O 3.49Å; F14-Q173 HydrophobicContact CE2-CB 4.38Å; F14-C174 WeakPolarHBondContact O-CA 3.02Å; F14-C174 WeakPolarHBondContact O-CB 3.47Å; F14-G175 WeakPolarHBondContact CD1-O 3.38Å; F14-G175 PolarHBondContact N-O 2.86Å; F14-G175 PolarHBondContact O-N 2.71Å; F14-M177 HydrophobicContact CB-CG 4.43Å; F14-M177 HydrophobicContact CB-SD 4.5Å; F14-M177 HydrophobicContact CD1-CG 3.89Å
15	F	98.8	Very high	93.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	121.3	165.6	-65.5	-30.2	0	0	0	109.7	V17 R26 M27 I29 F43 C47 Y60 F124 I171 C174	F15-V17 HydrophobicContact CB-CG2 4.18Å; F15-R26 CarbonylContact O-C 3.27Å; F15-R26 VanDerWaalsContact O-CA 3.27Å; F15-R26 WeakPolarHBondContact O-CA 3.42Å; F15-M27 HydrophobicContact CD2-CE 4.35Å; F15-M27 PolarHBondContact N-O 3Å; F15-M27 PolarHBondContact O-N 2.83Å; F15-I29 HydrophobicContact CD2-CD1 3.8Å; F15-I29 HydrophobicContact CE2-CD1 3.83Å; F15-F43 HydrophobicContact CE1-CZ 4.43Å; F15-F43 HydrophobicContact CE2-CE1 4.39Å; F15-F43 AromaticContact CE2-CZ 3.74Å; F15-F43 HydrophobicContact CE2-CZ 3.74Å; F15-F43 AromaticContact CZ-CE1 3.83Å; F15-F43 HydrophobicContact CZ-CE1 3.83Å; F15-F43 HydrophobicContact CZ-CE2 4.26Å; F15-F43 AromaticContact CZ-CZ 3.36Å; F15-F43 HydrophobicContact CZ-CZ 3.36Å; F15-C47 VanDerWaalsContact CE1-SG 3.58Å; F15-Y60 AromaticContact CE1-CD2 3.89Å; F15-Y60 HydrophobicContact CE1-CD2 3.89Å; F15-Y60 HydrophobicContact CE1-CG 4.21Å; F15-Y60 AromaticContact CZ-CD2 3.82Å; F15-Y60 HydrophobicContact CZ-CD2 3.82Å; F15-Y60 HydrophobicContact CZ-CE2 4.4Å; F15-Y60 HydrophobicContact CZ-CG 4.19Å; F15-F124 HydrophobicContact CD2-CZ 4.45Å; F15-F124 HydrophobicContact CE2-CE1 4.18Å; F15-F124 AromaticContact CE2-CE2 3.94Å; F15-F124 HydrophobicContact CE2-CE2 3.94Å; F15-F124 AromaticContact CE2-CZ 3.45Å; F15-F124 HydrophobicContact CE2-CZ 3.45Å; F15-F124 VanDerWaalsContact CE2-CZ 3.45Å; F15-F124 HydrophobicContact CZ-CE1 4.15Å; F15-F124 AromaticContact CZ-CZ 3.89Å; F15-F124 HydrophobicContact CZ-CZ 3.89Å; F15-I171 HydrophobicContact CB-CG2 4.15Å; F15-I171 HydrophobicContact CD1-CD1 4.2Å; F15-I171 HydrophobicContact CD1-CG2 3.62Å; F15-I171 HydrophobicContact CD2-CD1 4.11Å; F15-I171 HydrophobicContact CE1-CD1 4.09Å; F15-I171 HydrophobicContact CE1-CG2 4.2Å; F15-I171 HydrophobicContact CE2-CD1 4Å; F15-I171 HydrophobicContact CG-CD1 4.22Å; F15-I171 HydrophobicContact CG-CG1 4.39Å; F15-I171 HydrophobicContact CG-CG2 4.01Å; F15-I171 HydrophobicContact CZ-CD1 3.97Å; F15-C174 HydrophobicContact CD1-CB 3.52Å; F15-C174 HydrophobicContact CE1-CB 3.82Å
16	D	98.8	Very high	95	Very high	26 Å²	26	48 Å²	48	14%	0.139	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	132.7	157.5	-66.3	-35.6	0	0	0	108	R26 I171 S172 Q173	D16-R26 VanDerWaalsContact OD1-CB 3.27Å; D16-R26 WeakPolarHBondContact OD1-CB 3.21Å; D16-R26 WeakPolarHBondContact OD1-CG 3.44Å; D16-R26 IonicContact OD1-CZ 2.81Å; D16-R26 IonicContact OD1-NE 3.41Å; D16-R26 PolarHBondContact OD1-NE 2.85Å; D16-R26 IonicContact OD1-NH2 2.85Å; D16-R26 PolarHBondContact OD1-NH2 3.14Å; D16-R26 IonicContact OD2-CZ 3.23Å; D16-R26 IonicContact OD2-NE 3.59Å; D16-R26 IonicContact OD2-NH2 3.72Å; D16-R26 PolarHBondContact OD2-NH2 3.11Å; D16-I171 CarbonylContact O-C 3.35Å; D16-I171 WeakPolarHBondContact O-CA 3.42Å; D16-S172 PolarHBondContact O-N 3.23Å; D16-S172 PolarHBondContact O-OG 2.91Å; D16-Q173 HydrophobicContact CB-CB 4Å; D16-Q173 PolarHBondContact N-O 3.3Å
17	V	98.8	Very high	95.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	135.5	-173.3	-177.6	0	0	0	0	110.5	F15 V24 G25 M27 F65 V150 I154 V169 V170	F15-V17 HydrophobicContact CB-CG2 4.18Å; V17-V24 HydrophobicContact CB-CG2 3.96Å; V17-V24 HydrophobicContact CG1-CG2 3.88Å; V17-V24 WeakPolarHBondContact O-CG2 3.41Å; V17-V24 PolarHBondContact O-N 2.9Å; V17-G25 PolarHBondContact N-O 2.82Å; V17-M27 HydrophobicContact CG2-CE 3.92Å; V17-F65 HydrophobicContact CG2-CE2 4.36Å; V17-V150 HydrophobicContact CB-CG1 4.14Å; V17-V150 HydrophobicContact CG2-CG1 4.29Å; V17-I154 HydrophobicContact CG1-CD1 3.94Å; V17-I154 HydrophobicContact CG1-CG1 4.23Å; V17-I154 HydrophobicContact CG2-CD1 4.34Å; V17-V169 HydrophobicContact CG1-CG1 3.75Å; V17-V170 WeakPolarHBondContact CA-O 3.17Å
18	S	98.7	Very high	96.7	Very high	11 Å²	11	46.4 Å²	46.4	8%	0.077	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	149.8	166.3	65.6	0	0	0	0	112.2	Q22 V169 V170	S18-Q22 CarbonylContact C-O 3.53Å; S18-Q22 WeakPolarHBondContact CA-O 3.39Å; S18-Q22 WeakPolarHBondContact CB-O 3.19Å; S18-V169 CarbonylContact O-C 3.54Å; S18-V169 WeakPolarHBondContact O-CA 3.35Å; S18-V170 PolarHBondContact N-O 2.55Å; S18-V170 PolarHBondContact O-N 3.07Å
19	I	98.6	Very high	97.7	Very high	24 Å²	24	40.2 Å²	40.2	12%	0.123	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	119.1	173.7	-57.1	-178.1	0	0	0	107.7	G21 Q22 V24 K153 I154 V157 L167 P168 V169	I19-G21 PolarHBondContact O-N 3.21Å; I19-Q22 PolarHBondContact N-O 3.09Å; I19-Q22 PolarHBondContact O-N 3Å; I19-V24 HydrophobicContact CB-CG1 3.97Å; I19-V24 HydrophobicContact CD1-CB 4.4Å; I19-V24 HydrophobicContact CD1-CG1 3.83Å; I19-V24 HydrophobicContact CD1-CG2 4Å; I19-V24 HydrophobicContact CG1-CB 4.42Å; I19-V24 HydrophobicContact CG1-CG1 3.73Å; I19-V24 HydrophobicContact CG1-CG2 3.86Å; I19-K153 HydrophobicContact CD1-CB 4.47Å; I19-I154 HydrophobicContact CD1-CG1 4.46Å; I19-V157 HydrophobicContact CD1-CG1 3.78Å; I19-V157 HydrophobicContact CG2-CG1 4.07Å; I19-L167 HydrophobicContact CG2-CB 4.2Å; I19-L167 HydrophobicContact CG2-CD1 4.46Å; I19-P168 CarbonylContact C-O 3.51Å; I19-P168 WeakPolarHBondContact CA-O 3.13Å; I19-V169 HydrophobicContact CG1-CG1 4.29Å; I19-V169 HydrophobicContact CG1-CG2 4.28Å; I19-V169 HydrophobicContact CG2-CG2 4.49Å
20	G	97.6	Very high	98.3	Very high	41 Å²	41	35 Å²	35	42%	0.423	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	28.8	-176	0	0	0	0	0	113.5	P168	G20-P168 PolarHBondContact N-O 3.45Å
21	G	97.2	Very high	98.4	Very high	66 Å²	66	34.6 Å²	34.6	68%	0.68	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.5	-2.1	-177.2	0	0	0	0	0	115.5	I19	I19-G21 PolarHBondContact O-N 3.21Å
22	Q	98.1	Very high	98.4	Very high	151 Å²	151	34.3 Å²	34.3	71%	0.706	20%	0.196	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	127	174.4	-63.8	-174.3	-4.5	0	0	110.8	S18 I19 V24	S18-Q22 CarbonylContact C-O 3.53Å; S18-Q22 WeakPolarHBondContact CA-O 3.39Å; S18-Q22 WeakPolarHBondContact CB-O 3.19Å; I19-Q22 PolarHBondContact N-O 3.09Å; I19-Q22 PolarHBondContact O-N 3Å; Q22-V24 PolarHBondContact O-N 3.4Å
23	E	98.2	Very high	98.4	Very high	117 Å²	117	34.7 Å²	34.7	55%	0.547	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	126.7	175.7	-68.1	-62.1	145.9	0	0	111.1	S172	E23-S172 WeakPolarHBondContact OE1-CB 3.45Å; E23-S172 PolarHBondContact OE1-OG 3.24Å; E23-S172 PolarHBondContact OE2-OG 3.35Å; E23-S172 VanDerWaalsContact OE2-OG 3.09Å
24	V	97.9	Very high	98.3	Very high	28 Å²	28	38.9 Å²	38.9	17%	0.17	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	-14.5	-177.1	-64.9	0	0	0	0	114	V17 I19 Q22 V150 K153	V17-V24 HydrophobicContact CB-CG2 3.96Å; V17-V24 HydrophobicContact CG1-CG2 3.88Å; V17-V24 WeakPolarHBondContact O-CG2 3.41Å; V17-V24 PolarHBondContact O-N 2.9Å; I19-V24 HydrophobicContact CB-CG1 3.97Å; I19-V24 HydrophobicContact CD1-CB 4.4Å; I19-V24 HydrophobicContact CD1-CG1 3.83Å; I19-V24 HydrophobicContact CD1-CG2 4Å; I19-V24 HydrophobicContact CG1-CB 4.42Å; I19-V24 HydrophobicContact CG1-CG1 3.73Å; I19-V24 HydrophobicContact CG1-CG2 3.86Å; Q22-V24 PolarHBondContact O-N 3.4Å; V24-V150 HydrophobicContact CG2-CG1 4.05Å; V24-K153 HydrophobicContact CB-CD 4.14Å; V24-K153 PolarHBondContact O-NZ 3.43Å
25	G	98.3	Very high	98.2	Very high	28 Å²	28	39.3 Å²	39.3	29%	0.289	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	138.9	-178.2	170.8	0	0	0	0	0	114	V17	V17-G25 PolarHBondContact N-O 2.82Å
26	R	98.6	Very high	98.2	Very high	101 Å²	101	39.3 Å²	39.3	38%	0.381	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	136.7	177.8	-175	170	-72.4	-165.6	-3.6	111.6	F14 F15 D16 G147	F14-R26 HydrophobicContact CB-CG 4Å; F14-R26 HydrophobicContact CD2-CG 4.3Å; F15-R26 CarbonylContact O-C 3.27Å; F15-R26 VanDerWaalsContact O-CA 3.27Å; F15-R26 WeakPolarHBondContact O-CA 3.42Å; D16-R26 VanDerWaalsContact OD1-CB 3.27Å; D16-R26 WeakPolarHBondContact OD1-CB 3.21Å; D16-R26 WeakPolarHBondContact OD1-CG 3.44Å; D16-R26 IonicContact OD1-CZ 2.81Å; D16-R26 IonicContact OD1-NE 3.41Å; D16-R26 PolarHBondContact OD1-NE 2.85Å; D16-R26 IonicContact OD1-NH2 2.85Å; D16-R26 PolarHBondContact OD1-NH2 3.14Å; D16-R26 IonicContact OD2-CZ 3.23Å; D16-R26 IonicContact OD2-NE 3.59Å; D16-R26 IonicContact OD2-NH2 3.72Å; D16-R26 PolarHBondContact OD2-NH2 3.11Å; R26-G147 WeakPolarHBondContact O-CA 3.35Å
27	M	98.4	Very high	98.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	130.3	162	-66.7	-170.4	-71.7	0	0	109.4	F14 F15 V17 F65 I126 I144 D146 V150 M151 I154	F14-M27 CarbonylContact C-O 3.6Å; F14-M27 WeakPolarHBondContact CA-O 3.49Å; F14-M27 WeakPolarHBondContact CB-O 3.49Å; F15-M27 HydrophobicContact CD2-CE 4.35Å; F15-M27 PolarHBondContact N-O 3Å; F15-M27 PolarHBondContact O-N 2.83Å; V17-M27 HydrophobicContact CG2-CE 3.92Å; M27-F65 HydrophobicContact CE-CE2 4.48Å; M27-F65 HydrophobicContact CE-CZ 3.91Å; M27-I126 HydrophobicContact CE-CD1 4.27Å; M27-I126 HydrophobicContact SD-CD1 4.43Å; M27-I144 HydrophobicContact SD-CD1 3.73Å; M27-D146 WeakPolarHBondContact CA-O 3.35Å; M27-V150 HydrophobicContact CG-CB 3.73Å; M27-V150 HydrophobicContact CG-CG1 3.87Å; M27-V150 HydrophobicContact SD-CB 4.41Å; M27-V150 HydrophobicContact SD-CG1 4.38Å; M27-M151 HydrophobicContact SD-CB 3.86Å; M27-I154 HydrophobicContact CE-CD1 3.82Å; M27-I154 HydrophobicContact SD-CD1 4.48Å
28	K	98.5	Very high	98.1	Very high	59 Å²	59	47.6 Å²	47.6	26%	0.257	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	134.3	169.2	-56.4	177.9	-171.6	148.8	0	108.8	V12 V13 I144 I145 D146 M177	V12-K28 HydrophobicContact CG1-CB 4.35Å; V13-K28 WeakPolarHBondContact O-CA 3.41Å; K28-I144 WeakPolarHBondContact O-CA 3.38Å; K28-I145 HydrophobicContact CB-CD1 4.3Å; K28-I145 HydrophobicContact CB-CG1 3.83Å; K28-I145 WeakPolarHBondContact O-CG1 3.36Å; K28-I145 PolarHBondContact O-N 3.12Å; K28-D146 HydrophobicContact CB-CB 3.89Å; K28-D146 HydrophobicContact CD-CB 3.76Å; K28-D146 WeakPolarHBondContact CE-OD2 3.39Å; K28-D146 HydrophobicContact CG-CB 3.97Å; K28-D146 PolarHBondContact N-O 3.01Å; K28-D146 IonicContact NZ-OD2 3.68Å; K28-D146 PolarHBondContact NZ-OD2 3Å; K28-D146 PolarHBondContact O-N 3.39Å; K28-M177 HydrophobicContact CB-SD 4.42Å; K28-M177 HydrophobicContact CD-CE 4.23Å; K28-M177 HydrophobicContact CD-SD 3.56Å; K28-M177 VanDerWaalsContact CD-SD 3.56Å; K28-M177 HydrophobicContact CG-SD 3.73Å
29	I	98.7	Very high	98.1	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	121.6	-170.4	-52.5	171.6	0	0	0	107.8	V12 V13 F15 L31 L110 K143 I144	V12-I29 WeakPolarHBondContact CA-O 3.28Å; V13-I29 HydrophobicContact CG2-CB 4Å; V13-I29 PolarHBondContact N-O 3.34Å; V13-I29 PolarHBondContact O-N 3.19Å; F15-I29 HydrophobicContact CD2-CD1 3.8Å; F15-I29 HydrophobicContact CE2-CD1 3.83Å; I29-L31 HydrophobicContact CG2-CD2 4.09Å; I29-L110 HydrophobicContact CG2-CB 4.39Å; I29-L110 HydrophobicContact CG2-CD2 3.65Å; I29-K143 CarbonylContact C-O 3.52Å; I29-K143 VanDerWaalsContact CA-O 3.29Å; I29-K143 WeakPolarHBondContact CA-O 3.25Å; I29-I144 HydrophobicContact CG1-CG1 4.39Å
30	E	98.5	Very high	98.1	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	132.6	166.4	-179.8	-174.1	171.6	0	0	109.1	N5 S6 S7 N10 F32 G142 K143 I145	N5-E30 VanDerWaalsContact CA-OE2 3.27Å; N5-E30 WeakPolarHBondContact CA-OE2 3.2Å; S6-E30 WeakPolarHBondContact CB-OE1 3.34Å; S6-E30 VanDerWaalsContact N-CD 3.29Å; S6-E30 PolarHBondContact N-OE1 2.87Å; S6-E30 PolarHBondContact N-OE2 3.19Å; S6-E30 PolarHBondContact OG-OE1 3.2Å; S6-E30 PolarHBondContact OG-OE2 3.33Å; S7-E30 PolarHBondContact N-OE1 2.86Å; N10-E30 HydrophobicContact CB-CG 3.81Å; N10-E30 PolarHBondContact ND2-OE1 3.06Å; E30-F32 HydrophobicContact CG-CD1 4.35Å; E30-F32 HydrophobicContact CG-CE1 4.32Å; E30-G142 CarbonylContact O-C 3.53Å; E30-G142 WeakPolarHBondContact O-CA 3.28Å; E30-K143 HydrophobicContact CB-CG 4.39Å; E30-K143 PolarHBondContact N-O 3.34Å; E30-K143 PolarHBondContact O-N 3.49Å; E30-K143 WeakPolarHBondContact OE2-CE 3.34Å; E30-K143 IonicContact OE2-NZ 3.28Å; E30-K143 PolarHBondContact OE2-NZ 3.38Å; E30-I145 HydrophobicContact CB-CG2 3.73Å
31	L	98.7	Very high	98.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	128.3	173.2	-53.8	-177.2	0	0	0	109.8	N10 P11 V13 I29 A33 A40 F43 R44 L110 F141	N10-L31 WeakPolarHBondContact CB-O 3.37Å; N10-L31 PolarHBondContact OD1-O 3.38Å; P11-L31 HydrophobicContact CB-CB 4.46Å; P11-L31 HydrophobicContact CB-CD1 4.43Å; P11-L31 PolarHBondContact O-N 3.28Å; V13-L31 HydrophobicContact CG1-CD1 3.76Å; V13-L31 HydrophobicContact CG1-CG 4.39Å; V13-L31 HydrophobicContact CG2-CD1 4.04Å; V13-L31 HydrophobicContact CG2-CD2 3.91Å; V13-L31 HydrophobicContact CG2-CG 3.99Å; I29-L31 HydrophobicContact CG2-CD2 4.09Å; L31-A33 PolarHBondContact O-N 3.13Å; L31-A40 HydrophobicContact CB-CB 4Å; L31-F43 HydrophobicContact CD1-CD1 4.08Å; L31-F43 HydrophobicContact CD2-CD1 3.67Å; L31-F43 HydrophobicContact CD2-CE1 4.11Å; L31-F43 HydrophobicContact CD2-CG 4.43Å; L31-R44 HydrophobicContact CD1-CB 3.81Å; L31-R44 HydrophobicContact CD1-CG 4.36Å; L31-L110 HydrophobicContact CD2-CD2 3.93Å; L31-F141 HydrophobicContact CD2-CD2 4.34Å; L31-F141 HydrophobicContact CD2-CE2 4.29Å
32	F	98.4	Very high	98.3	Very high	18 Å²	18	43.8 Å²	43.8	8%	0.079	22%	0.223	C	C	.	.			trans	-80.4	59.7	-176.4	-54.8	-40.5	0	0	0	112	E30 D34 V35 V36 L102 V140 F141 G142 K143	E30-F32 HydrophobicContact CG-CD1 4.35Å; E30-F32 HydrophobicContact CG-CE1 4.32Å; F32-D34 WeakPolarHBondContact CA-OD1 3.45Å; F32-D34 PolarHBondContact O-N 3.48Å; F32-V35 HydrophobicContact CB-CB 4.37Å; F32-V35 PolarHBondContact O-N 3.23Å; F32-V36 HydrophobicContact CB-CG2 4.24Å; F32-V36 WeakPolarHBondContact O-CG2 3.44Å; F32-V36 PolarHBondContact O-N 2.79Å; F32-L102 HydrophobicContact CB-CD1 4.18Å; F32-L102 HydrophobicContact CD2-CD1 3.25Å; F32-L102 HydrophobicContact CE2-CD1 3.82Å; F32-L102 HydrophobicContact CG-CD1 3.98Å; F32-V140 HydrophobicContact CE2-CG1 4.18Å; F32-F141 VanDerWaalsContact CD2-C 3.41Å; F32-F141 PolarHBondContact N-O 3.16Å; F32-G142 VanDerWaalsContact CD2-CA 3.48Å; F32-G142 VanDerWaalsContact CD2-N 3.28Å; F32-G142 VanDerWaalsContact CE2-CA 3.43Å; F32-G142 WeakPolarHBondContact CE2-O 2.81Å; F32-K143 HydrophobicContact CE1-CD 4.07Å; F32-K143 HydrophobicContact CE1-CG 3.92Å; F32-K143 HydrophobicContact CZ-CB 3.81Å; F32-K143 HydrophobicContact CZ-CD 3.86Å; F32-K143 HydrophobicContact CZ-CG 3.66Å
33	A	97.9	Very high	98.3	Very high	30 Å²	30	36.6 Å²	36.6	25%	0.248	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-23.8	-179.3	0	0	0	0	0	112.8	N10 P11 L31 V35 P37 A40	N10-A33 PolarHBondContact OD1-N 3.15Å; P11-A33 HydrophobicContact CG-CB 4.19Å; L31-A33 PolarHBondContact O-N 3.13Å; A33-V35 VanDerWaalsContact C-N 3.3Å; A33-P37 WeakPolarHBondContact O-CA 2.79Å; A33-P37 WeakPolarHBondContact O-CB 3.37Å; A33-P37 WeakPolarHBondContact O-CD 3.44Å; A33-A40 HydrophobicContact CB-CB 3.94Å
34	D	96.9	Very high	98.3	Very high	88 Å²	88	32 Å²	32	47%	0.471	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-24.7	171.5	64.1	-30.8	0	0	0	114.1	N10 F32	N10-D34 PolarHBondContact ND2-OD1 2.94Å; N10-D34 PolarHBondContact OD1-N 3.02Å; N10-D34 VanDerWaalsContact OD1-N 3.12Å; N10-D34 PolarHBondContact OD1-OD1 2.9Å; F32-D34 WeakPolarHBondContact CA-OD1 3.45Å; F32-D34 PolarHBondContact O-N 3.48Å
35	V	97.3	Very high	98.4	Very high	38 Å²	38	32.5 Å²	32.5	23%	0.23	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-38.8	-178.5	-173.4	0	0	0	0	112.7	F32 A33 N99 K101 L102	F32-V35 HydrophobicContact CB-CB 4.37Å; F32-V35 PolarHBondContact O-N 3.23Å; A33-V35 VanDerWaalsContact C-N 3.3Å; V35-N99 PolarHBondContact O-ND2 3.1Å; V35-K101 HydrophobicContact CG1-CB 4.41Å; V35-K101 HydrophobicContact CG1-CD 4.29Å; V35-L102 HydrophobicContact CB-CD1 4.33Å; V35-L102 HydrophobicContact CG1-CD1 4.15Å; V35-L102 HydrophobicContact CG1-CG 4.15Å
36	V	98.1	Very high	98.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.154	C	C	.	.			trans	-136.5	64.6	-175.2	-73.7	0	0	0	0	110.8	F32 K38 T39 A40 E98 N99 V139 F141	F32-V36 HydrophobicContact CB-CG2 4.24Å; F32-V36 WeakPolarHBondContact O-CG2 3.44Å; F32-V36 PolarHBondContact O-N 2.79Å; V36-K38 VanDerWaalsContact C-N 3.3Å; V36-K38 PolarHBondContact O-N 2.99Å; V36-T39 PolarHBondContact O-N 3.35Å; V36-A40 VanDerWaalsContact O-CB 3.29Å; V36-A40 WeakPolarHBondContact O-CB 3.39Å; V36-A40 PolarHBondContact O-N 2.86Å; V36-E98 VanDerWaalsContact CA-CD 3.47Å; V36-E98 VanDerWaalsContact CA-OE2 3.28Å; V36-E98 WeakPolarHBondContact CA-OE2 2.88Å; V36-E98 HydrophobicContact CB-CG 4.43Å; V36-E98 WeakPolarHBondContact CB-OE2 3.31Å; V36-E98 HydrophobicContact CG1-CB 4.27Å; V36-E98 HydrophobicContact CG1-CG 4.25Å; V36-N99 WeakPolarHBondContact CG1-ND2 3.39Å; V36-V139 HydrophobicContact CG1-CG1 3.89Å; V36-F141 HydrophobicContact CG2-CB 3.48Å; V36-F141 VanDerWaalsContact CG2-CB 3.48Å
37	P	98.1	Very high	98.4	Very high	69 Å²	69	26.5 Å²	26.5	45%	0.448	14%	0.137	S	C	.	.	H	α-helix	trans	-57.1	-36.8	-173.9	20.4	-32.9	0	0	0	113.9	A33 E41 E98	A33-P37 WeakPolarHBondContact O-CA 2.79Å; A33-P37 WeakPolarHBondContact O-CB 3.37Å; A33-P37 WeakPolarHBondContact O-CD 3.44Å; P37-E41 VanDerWaalsContact O-CB 3.22Å; P37-E41 WeakPolarHBondContact O-CB 3.11Å; P37-E41 PolarHBondContact O-N 3.32Å; P37-E98 WeakPolarHBondContact CD-OE1 3.34Å; P37-E98 WeakPolarHBondContact CG-OE1 3.27Å
38	K	98.5	Very high	98.4	Very high	130 Å²	130	28.8 Å²	28.8	57%	0.565	15%	0.151	S	C	*	.	H	α-helix	trans	-71	-44.8	179.9	-63.8	179.5	178.7	178.8	0	111.5	V36 E41 N42 Y91 E98	V36-K38 VanDerWaalsContact C-N 3.3Å; V36-K38 PolarHBondContact O-N 2.99Å; K38-E41 PolarHBondContact O-N 2.76Å; K38-N42 WeakPolarHBondContact O-CB 3.24Å; K38-N42 PolarHBondContact O-N 3.01Å; K38-Y91 VanDerWaalsContact CA-OH 3.26Å; K38-Y91 WeakPolarHBondContact CA-OH 3.17Å; K38-Y91 HydrophobicContact CB-CE2 4.32Å; K38-Y91 WeakPolarHBondContact CB-OH 3.41Å; K38-Y91 PolarHBondContact O-OH 2.81Å; K38-E98 WeakPolarHBondContact CB-OE2 3.44Å; K38-E98 PolarHBondContact N-OE1 3.3Å; K38-E98 PolarHBondContact N-OE2 2.87Å; K38-E98 VanDerWaalsContact N-OE2 3.14Å
39	T	98.7	Very high	98.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-66.1	-43.3	-179.5	-47.7	0	0	0	0	110.7	V36 F43 F95 E98 M112 V139 F141	V36-T39 PolarHBondContact O-N 3.35Å; T39-F43 PolarHBondContact O-N 2.95Å; T39-F95 HydrophobicContact CG2-CE2 4.44Å; T39-F95 HydrophobicContact CG2-CZ 4.3Å; T39-E98 PolarHBondContact N-OE2 3.49Å; T39-E98 PolarHBondContact OG1-OE2 3.18Å; T39-M112 HydrophobicContact CG2-CG 3.5Å; T39-M112 VanDerWaalsContact CG2-CG 3.5Å; T39-M112 HydrophobicContact CG2-SD 3.8Å; T39-V139 HydrophobicContact CG2-CG1 4.23Å; T39-F141 HydrophobicContact CG2-CB 3.66Å; T39-F141 HydrophobicContact CG2-CD1 3.71Å; T39-F141 HydrophobicContact CG2-CD2 4.21Å; T39-F141 HydrophobicContact CG2-CE1 4.38Å; T39-F141 HydrophobicContact CG2-CG 3.61Å
40	A	98.6	Very high	98.1	Very high	2 Å²	2	31.7 Å²	31.7	2%	0.017	17%	0.17	C	C	.	.	H	α-helix	trans	-60.7	-47.5	174.9	0	0	0	0	0	111.9	L31 A33 V36 N42 F43 R44	L31-A40 HydrophobicContact CB-CB 4Å; A33-A40 HydrophobicContact CB-CB 3.94Å; V36-A40 VanDerWaalsContact O-CB 3.29Å; V36-A40 WeakPolarHBondContact O-CB 3.39Å; V36-A40 PolarHBondContact O-N 2.86Å; A40-N42 PolarHBondContact O-N 3.17Å; A40-F43 PolarHBondContact O-N 2.81Å; A40-R44 WeakPolarHBondContact O-CB 3.41Å; A40-R44 PolarHBondContact O-N 2.9Å
41	E	98.6	Very high	98	Very high	60 Å²	60	33.3 Å²	33.3	28%	0.28	18%	0.177	S	C	.	.	H	α-helix	trans	-65.4	-38.6	-178.9	-178.5	56.9	-163.5	0	0	112.5	P37 K38 F43 R44 Q45 I90	P37-E41 VanDerWaalsContact O-CB 3.22Å; P37-E41 WeakPolarHBondContact O-CB 3.11Å; P37-E41 PolarHBondContact O-N 3.32Å; K38-E41 PolarHBondContact O-N 2.76Å; E41-F43 VanDerWaalsContact C-N 3.32Å; E41-F43 PolarHBondContact O-N 3.34Å; E41-R44 PolarHBondContact O-N 2.82Å; E41-R44 IonicContact OE1-CZ 3.28Å; E41-R44 IonicContact OE1-NE 3.7Å; E41-R44 IonicContact OE1-NH2 2.87Å; E41-R44 PolarHBondContact OE1-NH2 2.85Å; E41-R44 IonicContact OE2-CZ 2.86Å; E41-R44 IonicContact OE2-NE 3.56Å; E41-R44 PolarHBondContact OE2-NE 2.88Å; E41-R44 IonicContact OE2-NH2 3.36Å; E41-Q45 PolarHBondContact O-N 3.09Å; E41-Q45 VanDerWaalsContact OE1-CG 3.3Å; E41-Q45 WeakPolarHBondContact OE1-CG 3.23Å; E41-Q45 PolarHBondContact OE1-NE2 2.85Å; E41-I90 HydrophobicContact CG-CD1 3.9Å
42	N	98.7	Very high	97.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-57	-46.8	173.4	176.4	73.1	0	0	0	111.8	K38 A40 F46 S89 I90 Y91 F95 G121	K38-N42 WeakPolarHBondContact O-CB 3.24Å; K38-N42 PolarHBondContact O-N 3.01Å; A40-N42 PolarHBondContact O-N 3.17Å; N42-F46 WeakPolarHBondContact O-CD2 3.47Å; N42-F46 PolarHBondContact O-N 3.4Å; N42-F46 VanDerWaalsContact OD1-CE2 3.27Å; N42-F46 WeakPolarHBondContact OD1-CE2 3.35Å; N42-S89 VanDerWaalsContact OD1-CA 3.29Å; N42-S89 WeakPolarHBondContact OD1-CA 3.2Å; N42-S89 VanDerWaalsContact OD1-CB 3.3Å; N42-S89 WeakPolarHBondContact OD1-CB 3.25Å; N42-I90 HydrophobicContact CB-CD1 4.35Å; N42-I90 HydrophobicContact CB-CG1 4.12Å; N42-I90 PolarHBondContact OD1-N 2.9Å; N42-Y91 HydrophobicContact CB-CE2 4.05Å; N42-F95 HydrophobicContact CB-CE1 4.45Å; N42-F95 HydrophobicContact CB-CZ 4.37Å; N42-G121 PolarHBondContact ND2-O 2.99Å
43	F	98.8	Very high	97.3	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-68.3	-43.7	178.9	-167.5	-92.8	0	0	0	112.2	V13 F15 L31 T39 A40 E41 Q45 F46 C47 Y60 L110 F124 F141	V13-F43 HydrophobicContact CG2-CD1 4.08Å; V13-F43 HydrophobicContact CG2-CE1 3.79Å; F15-F43 HydrophobicContact CE1-CZ 4.43Å; F15-F43 HydrophobicContact CE2-CE1 4.39Å; F15-F43 AromaticContact CE2-CZ 3.74Å; F15-F43 HydrophobicContact CE2-CZ 3.74Å; F15-F43 AromaticContact CZ-CE1 3.83Å; F15-F43 HydrophobicContact CZ-CE1 3.83Å; F15-F43 HydrophobicContact CZ-CE2 4.26Å; F15-F43 AromaticContact CZ-CZ 3.36Å; F15-F43 HydrophobicContact CZ-CZ 3.36Å; L31-F43 HydrophobicContact CD1-CD1 4.08Å; L31-F43 HydrophobicContact CD2-CD1 3.67Å; L31-F43 HydrophobicContact CD2-CE1 4.11Å; L31-F43 HydrophobicContact CD2-CG 4.43Å; T39-F43 PolarHBondContact O-N 2.95Å; A40-F43 PolarHBondContact O-N 2.81Å; E41-F43 VanDerWaalsContact C-N 3.32Å; E41-F43 PolarHBondContact O-N 3.34Å; F43-Q45 PolarHBondContact O-N 3.19Å; F43-F46 PolarHBondContact O-N 2.91Å; F43-C47 WeakPolarHBondContact CE1-SG 3.47Å; F43-C47 PolarHBondContact O-N 2.82Å; F43-C47 PolarHBondContact O-SG 2.9Å; F43-Y60 HydrophobicContact CD1-CE2 4.26Å; F43-Y60 AromaticContact CD2-CE2 3.49Å; F43-Y60 HydrophobicContact CD2-CE2 3.49Å; F43-Y60 VanDerWaalsContact CD2-CE2 3.49Å; F43-Y60 AromaticContact CD2-CZ 3.72Å; F43-Y60 VanDerWaalsContact CD2-OH 3.24Å; F43-Y60 WeakPolarHBondContact CD2-OH 3.49Å; F43-Y60 HydrophobicContact CE1-CE2 4.28Å; F43-Y60 HydrophobicContact CE2-CD2 4.42Å; F43-Y60 AromaticContact CE2-CE2 3.53Å; F43-Y60 HydrophobicContact CE2-CE2 3.53Å; F43-Y60 AromaticContact CE2-CZ 3.8Å; F43-Y60 AromaticContact CG-CE2 3.9Å; F43-Y60 HydrophobicContact CG-CE2 3.9Å; F43-Y60 HydrophobicContact CZ-CD2 4.47Å; F43-Y60 AromaticContact CZ-CE2 3.96Å; F43-Y60 HydrophobicContact CZ-CE2 3.96Å; F43-L110 HydrophobicContact CD1-CD2 4.2Å; F43-L110 HydrophobicContact CD2-CD2 4.35Å; F43-L110 HydrophobicContact CE1-CD2 3.76Å; F43-L110 HydrophobicContact CE2-CD1 4.09Å; F43-L110 HydrophobicContact CE2-CD2 3.92Å; F43-L110 HydrophobicContact CG-CD2 4.45Å; F43-L110 HydrophobicContact CZ-CD1 4.1Å; F43-L110 HydrophobicContact CZ-CD2 3.59Å; F43-L110 HydrophobicContact CZ-CG 4.48Å; F43-F124 HydrophobicContact CD2-CD1 4.4Å; F43-F124 HydrophobicContact CE2-CB 4.03Å; F43-F124 AromaticContact CE2-CD1 3.51Å; F43-F124 HydrophobicContact CE2-CD1 3.51Å; F43-F124 HydrophobicContact CE2-CD2 4.2Å; F43-F124 AromaticContact CE2-CE1 3.92Å; F43-F124 HydrophobicContact CE2-CE1 3.92Å; F43-F124 AromaticContact CE2-CG 3.65Å; F43-F124 HydrophobicContact CE2-CG 3.65Å; F43-F124 HydrophobicContact CE2-CZ 4.44Å; F43-F124 HydrophobicContact CZ-CD1 4.32Å; F43-F124 HydrophobicContact CZ-CE1 4.33Å; F43-F124 HydrophobicContact CZ-CG 4.43Å; F43-F124 HydrophobicContact CZ-CZ 4.49Å; F43-F141 HydrophobicContact CB-CD2 4.33Å; F43-F141 HydrophobicContact CB-CE2 3.53Å; F43-F141 HydrophobicContact CB-CZ 4.2Å; F43-F141 HydrophobicContact CD1-CE2 4.1Å; F43-F141 AromaticContact CD2-CE2 3.47Å; F43-F141 HydrophobicContact CD2-CE2 3.47Å; F43-F141 VanDerWaalsContact CD2-CE2 3.47Å; F43-F141 AromaticContact CD2-CZ 3.42Å; F43-F141 HydrophobicContact CD2-CZ 3.42Å; F43-F141 VanDerWaalsContact CD2-CZ 3.42Å; F43-F141 HydrophobicContact CE2-CE2 4.1Å; F43-F141 AromaticContact CE2-CZ 3.86Å; F43-F141 HydrophobicContact CE2-CZ 3.86Å; F43-F141 AromaticContact CG-CE2 3.44Å; F43-F141 HydrophobicContact CG-CE2 3.44Å; F43-F141 VanDerWaalsContact CG-CE2 3.44Å; F43-F141 AromaticContact CG-CZ 3.92Å; F43-F141 HydrophobicContact CG-CZ 3.92Å
44	R	98.7	Very high	96.9	Very high	22 Å²	22	51.8 Å²	51.8	8%	0.083	26%	0.255	C	S	.	.	H	α-helix	trans	-57.2	-48.1	179.9	-167.4	-161	68.6	72.8	6.4	111.5	V13 L31 A40 E41 F46 C47 T48 E50 E176	V13-R44 HydrophobicContact CG1-CG 4.07Å; L31-R44 HydrophobicContact CD1-CB 3.81Å; L31-R44 HydrophobicContact CD1-CG 4.36Å; A40-R44 WeakPolarHBondContact O-CB 3.41Å; A40-R44 PolarHBondContact O-N 2.9Å; E41-R44 PolarHBondContact O-N 2.82Å; E41-R44 IonicContact OE1-CZ 3.28Å; E41-R44 IonicContact OE1-NE 3.7Å; E41-R44 IonicContact OE1-NH2 2.87Å; E41-R44 PolarHBondContact OE1-NH2 2.85Å; E41-R44 IonicContact OE2-CZ 2.86Å; E41-R44 IonicContact OE2-NE 3.56Å; E41-R44 PolarHBondContact OE2-NE 2.88Å; E41-R44 IonicContact OE2-NH2 3.36Å; R44-F46 VanDerWaalsContact C-N 3.3Å; R44-F46 PolarHBondContact O-N 3.39Å; R44-C47 WeakPolarHBondContact O-CA 3.49Å; R44-C47 VanDerWaalsContact O-CB 3.3Å; R44-C47 WeakPolarHBondContact O-CB 3.18Å; R44-C47 PolarHBondContact O-N 2.85Å; R44-T48 PolarHBondContact O-N 3.11Å; R44-T48 PolarHBondContact O-OG1 3.26Å; R44-E50 IonicContact CZ-OE1 3.3Å; R44-E50 IonicContact CZ-OE2 3.64Å; R44-E50 IonicContact NH1-OE1 2.69Å; R44-E50 PolarHBondContact NH1-OE1 2.94Å; R44-E50 IonicContact NH1-OE2 3.64Å; R44-E50 IonicContact NH2-OE1 2.76Å; R44-E50 PolarHBondContact NH2-OE1 3.35Å; R44-E50 IonicContact NH2-OE2 3.98Å; R44-E50 PolarHBondContact NH2-OE2 2.88Å; R44-E176 WeakPolarHBondContact CD-OE2 3.49Å; R44-E176 IonicContact CZ-OE2 3.48Å; R44-E176 IonicContact NE-OE2 2.79Å; R44-E176 IonicContact NH1-OE2 3.66Å; R44-E176 PolarHBondContact NH1-OE2 2.97Å
45	Q	98.6	Very high	96.6	Very high	37 Å²	37	50 Å²	50	17%	0.173	26%	0.257	C	S	.	.	H	α-helix	trans	-64.3	-32.5	179.4	-73.7	-165	27.8	0	0	113.4	E41 F43 T48 G49 E50 F51 I90	E41-Q45 PolarHBondContact O-N 3.09Å; E41-Q45 VanDerWaalsContact OE1-CG 3.3Å; E41-Q45 WeakPolarHBondContact OE1-CG 3.23Å; E41-Q45 PolarHBondContact OE1-NE2 2.85Å; F43-Q45 PolarHBondContact O-N 3.19Å; Q45-T48 PolarHBondContact O-N 2.8Å; Q45-T48 PolarHBondContact O-OG1 2.72Å; Q45-G49 WeakPolarHBondContact O-CA 3.3Å; Q45-G49 PolarHBondContact O-N 2.69Å; Q45-E50 HydrophobicContact CG-CB 4.3Å; Q45-E50 PolarHBondContact O-N 3.35Å; Q45-F51 HydrophobicContact CB-CB 4.33Å; Q45-I90 HydrophobicContact CB-CG2 3.8Å; Q45-I90 HydrophobicContact CG-CD1 4.37Å; Q45-I90 HydrophobicContact CG-CG2 4.45Å
46	F	98.6	Very high	96.3	Very high	1 Å²	1	52.5 Å²	52.5	0%	0.004	27%	0.272	C	S	.	.	H	α-helix	trans	-74.7	-25.2	172.8	-67.5	-39.3	0	0	0	112.9	N42 F43 R44 F51 G59 Y60 F79 I90 C122	N42-F46 WeakPolarHBondContact O-CD2 3.47Å; N42-F46 PolarHBondContact O-N 3.4Å; N42-F46 VanDerWaalsContact OD1-CE2 3.27Å; N42-F46 WeakPolarHBondContact OD1-CE2 3.35Å; F43-F46 PolarHBondContact O-N 2.91Å; R44-F46 VanDerWaalsContact C-N 3.3Å; R44-F46 PolarHBondContact O-N 3.39Å; F46-F51 HydrophobicContact CD1-CB 4.43Å; F46-F51 HydrophobicContact CE1-CB 4.24Å; F46-F51 AromaticContact CE1-CD1 3.87Å; F46-F51 HydrophobicContact CE1-CD1 3.87Å; F46-F51 HydrophobicContact CE1-CG 4.22Å; F46-G59 CarbonylContact O-C 3.52Å; F46-G59 VanDerWaalsContact O-CA 3.23Å; F46-G59 WeakPolarHBondContact O-CA 3.46Å; F46-Y60 HydrophobicContact CB-CD1 4.42Å; F46-Y60 HydrophobicContact CB-CD2 3.66Å; F46-Y60 HydrophobicContact CB-CE1 4.19Å; F46-Y60 HydrophobicContact CB-CE2 3.4Å; F46-Y60 VanDerWaalsContact CB-CE2 3.4Å; F46-Y60 HydrophobicContact CB-CG 4.18Å; F46-Y60 HydrophobicContact CD2-CE2 4.46Å; F46-Y60 HydrophobicContact CG-CE2 4.43Å; F46-Y60 PolarHBondContact O-N 3.09Å; F46-F79 HydrophobicContact CB-CE1 4.3Å; F46-F79 AromaticContact CD1-CE1 3.83Å; F46-F79 HydrophobicContact CD1-CE1 3.83Å; F46-F79 AromaticContact CD1-CZ 3.72Å; F46-F79 HydrophobicContact CD1-CZ 3.72Å; F46-F79 AromaticContact CD2-CE1 3.99Å; F46-F79 HydrophobicContact CD2-CE1 3.99Å; F46-F79 HydrophobicContact CD2-CZ 4.24Å; F46-F79 HydrophobicContact CE1-CE1 4.09Å; F46-F79 HydrophobicContact CE1-CE2 4.48Å; F46-F79 AromaticContact CE1-CZ 3.52Å; F46-F79 HydrophobicContact CE1-CZ 3.52Å; F46-F79 HydrophobicContact CE2-CE1 4.22Å; F46-F79 HydrophobicContact CE2-CZ 4.05Å; F46-F79 AromaticContact CG-CE1 3.78Å; F46-F79 HydrophobicContact CG-CE1 3.78Å; F46-F79 HydrophobicContact CG-CZ 4.09Å; F46-F79 HydrophobicContact CZ-CE1 4.28Å; F46-F79 AromaticContact CZ-CZ 3.69Å; F46-F79 HydrophobicContact CZ-CZ 3.69Å; F46-I90 HydrophobicContact CE1-CG2 4.02Å; F46-I90 HydrophobicContact CE2-CG2 4.42Å; F46-I90 HydrophobicContact CZ-CG2 3.97Å; F46-C122 HydrophobicContact CD2-CB 4.29Å; F46-C122 HydrophobicContact CE2-CB 3.92Å; F46-C122 HydrophobicContact CZ-CB 4.5Å
47	C	98.6	Very high	96.1	Very high	3 Å²	3	55.8 Å²	55.8	2%	0.02	29%	0.294	C	S	.	.	H	α-helix	trans	-69.4	-44.2	167.7	-68.9	0	0	0	0	111.5	V13 F15 F43 R44 C174 G175	V13-C47 HydrophobicContact CB-CB 4.11Å; V13-C47 HydrophobicContact CG1-CB 4.02Å; F15-C47 VanDerWaalsContact CE1-SG 3.58Å; F43-C47 WeakPolarHBondContact CE1-SG 3.47Å; F43-C47 PolarHBondContact O-N 2.82Å; F43-C47 PolarHBondContact O-SG 2.9Å; R44-C47 WeakPolarHBondContact O-CA 3.49Å; R44-C47 VanDerWaalsContact O-CB 3.3Å; R44-C47 WeakPolarHBondContact O-CB 3.18Å; R44-C47 PolarHBondContact O-N 2.85Å; C47-C174 CarbonylContact O-C 3.33Å; C47-C174 VanDerWaalsContact O-C 3.27Å; C47-C174 PolarHBondContact O-SG 2.97Å; C47-G175 WeakPolarHBondContact O-CA 3.49Å; C47-G175 PolarHBondContact O-N 3.4Å
48	T	98.3	Very high	95.9	Very high	47 Å²	47	54.4 Å²	54.4	29%	0.288	28%	0.282	S	S	.	.	H	α-helix	trans	-84.2	-22.6	-174.6	62	0	0	0	0	114.1	R44 Q45 E50 E176	R44-T48 PolarHBondContact O-N 3.11Å; R44-T48 PolarHBondContact O-OG1 3.26Å; Q45-T48 PolarHBondContact O-N 2.8Å; Q45-T48 PolarHBondContact O-OG1 2.72Å; T48-E50 VanDerWaalsContact C-N 3.31Å; T48-E50 WeakPolarHBondContact CB-OE1 3.27Å; T48-E50 VanDerWaalsContact OG1-CD 3.3Å; T48-E50 WeakPolarHBondContact OG1-CG 3.27Å; T48-E50 PolarHBondContact OG1-N 3.28Å; T48-E50 PolarHBondContact OG1-OE1 2.84Å; T48-E176 HydrophobicContact CG2-CB 3.69Å
49	G	95.8	Very high	95.9	Very high	18 Å²	18	48.8 Å²	48.8	19%	0.186	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	19.2	-173.1	0	0	0	0	0	113.4	Q45 F51 P57	Q45-G49 WeakPolarHBondContact O-CA 3.3Å; Q45-G49 PolarHBondContact O-N 2.69Å; G49-F51 VanDerWaalsContact C-N 3.27Å; G49-P57 WeakPolarHBondContact O-CB 3.41Å
50	E	96.8	Very high	95.9	Very high	102 Å²	102	48.8 Å²	48.8	48%	0.477	26%	0.261	S	S	.	.			trans	-64.3	-34.5	172.7	-80.7	166.2	-122.8	0	0	112	R44 Q45 T48 R52	R44-E50 IonicContact CZ-OE1 3.3Å; R44-E50 IonicContact CZ-OE2 3.64Å; R44-E50 IonicContact NH1-OE1 2.69Å; R44-E50 PolarHBondContact NH1-OE1 2.94Å; R44-E50 IonicContact NH1-OE2 3.64Å; R44-E50 IonicContact NH2-OE1 2.76Å; R44-E50 PolarHBondContact NH2-OE1 3.35Å; R44-E50 IonicContact NH2-OE2 3.98Å; R44-E50 PolarHBondContact NH2-OE2 2.88Å; Q45-E50 HydrophobicContact CG-CB 4.3Å; Q45-E50 PolarHBondContact O-N 3.35Å; T48-E50 VanDerWaalsContact C-N 3.31Å; T48-E50 WeakPolarHBondContact CB-OE1 3.27Å; T48-E50 VanDerWaalsContact OG1-CD 3.3Å; T48-E50 WeakPolarHBondContact OG1-CG 3.27Å; T48-E50 PolarHBondContact OG1-N 3.28Å; T48-E50 PolarHBondContact OG1-OE1 2.84Å; E50-R52 PolarHBondContact O-N 2.89Å
51	F	95.4	Very high	95.9	Very high	34 Å²	34	54.8 Å²	54.8	15%	0.149	29%	0.287	C	S	.	.	S	Bend	trans	-72.6	125	173.8	-169.5	-99	0	0	0	110.4	Q45 F46 G49 I58 I90	Q45-F51 HydrophobicContact CB-CB 4.33Å; F46-F51 HydrophobicContact CD1-CB 4.43Å; F46-F51 HydrophobicContact CE1-CB 4.24Å; F46-F51 AromaticContact CE1-CD1 3.87Å; F46-F51 HydrophobicContact CE1-CD1 3.87Å; F46-F51 HydrophobicContact CE1-CG 4.22Å; G49-F51 VanDerWaalsContact C-N 3.27Å; F51-I58 HydrophobicContact CD1-CD1 3.67Å; F51-I58 HydrophobicContact CD1-CG1 3.58Å; F51-I58 HydrophobicContact CE1-CD1 3.7Å; F51-I58 HydrophobicContact CE1-CG1 4.13Å; F51-I58 PolarHBondContact O-N 2.77Å; F51-I90 HydrophobicContact CB-CG2 3.87Å; F51-I90 HydrophobicContact CD2-CB 3.75Å; F51-I90 HydrophobicContact CD2-CG2 3.75Å; F51-I90 HydrophobicContact CE2-CB 4.13Å; F51-I90 HydrophobicContact CE2-CG2 4.49Å; F51-I90 HydrophobicContact CG-CB 4.35Å; F51-I90 HydrophobicContact CG-CG2 3.84Å
52	R	94	Very high	95.8	Very high	153 Å²	153	54.4 Å²	54.4	58%	0.577	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.1	134.6	-177.7	-65.7	178.8	176.1	-127.8	6.5	111	E50 G55 V56 P57	E50-R52 PolarHBondContact O-N 2.89Å; R52-G55 PolarHBondContact NH1-O 3.02Å; R52-V56 CarbonylContact C-O 3.59Å; R52-V56 VanDerWaalsContact CA-O 3.24Å; R52-V56 WeakPolarHBondContact CA-O 3.44Å; R52-P57 HydrophobicContact CG-CG 4.48Å
53	K	88.3	Confident	95.8	Very high	131 Å²	131	54.8 Å²	54.8	57%	0.57	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.2	121.5	167.9	-176.5	176.9	178.7	-176.3	0	108	G55 V56 I58	K53-G55 PolarHBondContact O-N 2.83Å; K53-V56 PolarHBondContact N-O 2.92Å; K53-V56 WeakPolarHBondContact O-CB 3.49Å; K53-V56 PolarHBondContact O-N 3.2Å; K53-I58 HydrophobicContact CB-CD1 3.98Å; K53-I58 HydrophobicContact CB-CG1 4.45Å; K53-I58 HydrophobicContact CB-CG2 4.04Å
54	D	90.3	Very high	95.8	Very high	152 Å²	152	56.6 Å²	56.6	81%	0.813	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	38.4	-178	-50.9	-43	0	0	0	113.1	V56	D54-V56 PolarHBondContact O-N 2.83Å
55	G	90.8	Very high	95.8	Very high	50 Å²	50	55.7 Å²	55.7	52%	0.515	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	-9.6	-179.2	0	0	0	0	0	115.1	R52 K53	R52-G55 PolarHBondContact NH1-O 3.02Å; K53-G55 PolarHBondContact O-N 2.83Å
56	V	91.4	Very high	95.8	Very high	91 Å²	91	54.6 Å²	54.6	55%	0.552	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	127.4	-179.1	-174.6	0	0	0	0	110.2	R52 K53 D54 I58	R52-V56 CarbonylContact C-O 3.59Å; R52-V56 VanDerWaalsContact CA-O 3.24Å; R52-V56 WeakPolarHBondContact CA-O 3.44Å; K53-V56 PolarHBondContact N-O 2.92Å; K53-V56 WeakPolarHBondContact O-CB 3.49Å; K53-V56 PolarHBondContact O-N 3.2Å; D54-V56 PolarHBondContact O-N 2.83Å; V56-I58 PolarHBondContact O-N 2.97Å
57	P	93.4	Very high	95.8	Very high	69 Å²	69	58.7 Å²	58.7	45%	0.448	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	130.6	170.9	-25.8	35.8	0	0	0	111.2	G49 R52	G49-P57 WeakPolarHBondContact O-CB 3.41Å; R52-P57 HydrophobicContact CG-CG 4.48Å
58	I	93.9	Very high	95.8	Very high	40 Å²	40	58.7 Å²	58.7	21%	0.205	32%	0.319	C	S	.	.			trans	-123.4	146.5	170.7	66.9	168	0	0	0	109.5	F51 K53 V56 F79	F51-I58 HydrophobicContact CD1-CD1 3.67Å; F51-I58 HydrophobicContact CD1-CG1 3.58Å; F51-I58 HydrophobicContact CE1-CD1 3.7Å; F51-I58 HydrophobicContact CE1-CG1 4.13Å; F51-I58 PolarHBondContact O-N 2.77Å; K53-I58 HydrophobicContact CB-CD1 3.98Å; K53-I58 HydrophobicContact CB-CG1 4.45Å; K53-I58 HydrophobicContact CB-CG2 4.04Å; V56-I58 PolarHBondContact O-N 2.97Å; I58-F79 HydrophobicContact CD1-CE2 3.96Å; I58-F79 HydrophobicContact CG1-CE2 4.44Å
59	G	97.3	Very high	95.8	Very high	13 Å²	13	58.1 Å²	58.1	13%	0.134	32%	0.315	C	S	.	.	S	Bend	trans	166.2	-160	-175.9	0	0	0	0	0	112.9	F46 K61 F79	F46-G59 CarbonylContact O-C 3.52Å; F46-G59 VanDerWaalsContact O-CA 3.23Å; F46-G59 WeakPolarHBondContact O-CA 3.46Å; G59-K61 PolarHBondContact O-N 2.94Å; G59-F79 VanDerWaalsContact O-CB 3.25Å; G59-F79 WeakPolarHBondContact O-CB 3.47Å; G59-F79 WeakPolarHBondContact O-CD1 3.25Å; G59-F79 WeakPolarHBondContact O-CG 3.45Å
60	Y	98.7	Very high	95.9	Very high	0 Å²	0	63 Å²	63	0%	0	33%	0.33	C	S	.	.	S	Bend	trans	-79.3	-17.8	-168.3	-63.6	-46.7	0	0	0	114.8	F15 F43 F46 G62 S63 G77 F79 C122 F124 I171	F15-Y60 AromaticContact CE1-CD2 3.89Å; F15-Y60 HydrophobicContact CE1-CD2 3.89Å; F15-Y60 HydrophobicContact CE1-CG 4.21Å; F15-Y60 AromaticContact CZ-CD2 3.82Å; F15-Y60 HydrophobicContact CZ-CD2 3.82Å; F15-Y60 HydrophobicContact CZ-CE2 4.4Å; F15-Y60 HydrophobicContact CZ-CG 4.19Å; F43-Y60 HydrophobicContact CD1-CE2 4.26Å; F43-Y60 AromaticContact CD2-CE2 3.49Å; F43-Y60 HydrophobicContact CD2-CE2 3.49Å; F43-Y60 VanDerWaalsContact CD2-CE2 3.49Å; F43-Y60 AromaticContact CD2-CZ 3.72Å; F43-Y60 VanDerWaalsContact CD2-OH 3.24Å; F43-Y60 WeakPolarHBondContact CD2-OH 3.49Å; F43-Y60 HydrophobicContact CE1-CE2 4.28Å; F43-Y60 HydrophobicContact CE2-CD2 4.42Å; F43-Y60 AromaticContact CE2-CE2 3.53Å; F43-Y60 HydrophobicContact CE2-CE2 3.53Å; F43-Y60 AromaticContact CE2-CZ 3.8Å; F43-Y60 AromaticContact CG-CE2 3.9Å; F43-Y60 HydrophobicContact CG-CE2 3.9Å; F43-Y60 HydrophobicContact CZ-CD2 4.47Å; F43-Y60 AromaticContact CZ-CE2 3.96Å; F43-Y60 HydrophobicContact CZ-CE2 3.96Å; F46-Y60 HydrophobicContact CB-CD1 4.42Å; F46-Y60 HydrophobicContact CB-CD2 3.66Å; F46-Y60 HydrophobicContact CB-CE1 4.19Å; F46-Y60 HydrophobicContact CB-CE2 3.4Å; F46-Y60 VanDerWaalsContact CB-CE2 3.4Å; F46-Y60 HydrophobicContact CB-CG 4.18Å; F46-Y60 HydrophobicContact CD2-CE2 4.46Å; F46-Y60 HydrophobicContact CG-CE2 4.43Å; F46-Y60 PolarHBondContact O-N 3.09Å; Y60-G62 PolarHBondContact O-N 2.87Å; Y60-S63 VanDerWaalsContact O-CB 3.3Å; Y60-S63 WeakPolarHBondContact O-CB 3.45Å; Y60-S63 PolarHBondContact O-N 3.17Å; Y60-S63 PolarHBondContact O-OG 2.98Å; Y60-G77 VanDerWaalsContact CE1-CA 3.46Å; Y60-F79 AromaticContact CD1-CD1 3.87Å; Y60-F79 HydrophobicContact CD1-CD1 3.87Å; Y60-F79 HydrophobicContact CD1-CE1 4.2Å; Y60-F79 HydrophobicContact CE1-CD1 4.02Å; Y60-F79 AromaticContact CE1-CE1 3.97Å; Y60-F79 HydrophobicContact CE1-CE1 3.97Å; Y60-C122 WeakPolarHBondContact CE1-O 3.31Å; Y60-C122 PolarHBondContact OH-O 2.85Å; Y60-F124 HydrophobicContact CD1-CE1 4.12Å; Y60-F124 HydrophobicContact CE1-CD1 4.02Å; Y60-F124 AromaticContact CE1-CE1 3.91Å; Y60-F124 HydrophobicContact CE1-CE1 3.91Å; Y60-F124 AromaticContact CZ-CD1 3.99Å; Y60-I171 WeakPolarHBondContact O-CB 3.2Å
61	K	98.4	Very high	95.9	Very high	128 Å²	128	63.3 Å²	63.3	56%	0.557	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	123.1	178	-178.1	170.9	174.5	168	0	110.6	G59 S63 Q173 C174	G59-K61 PolarHBondContact O-N 2.94Å; K61-S63 VanDerWaalsContact C-N 3.25Å; K61-S63 PolarHBondContact O-N 2.79Å; K61-Q173 VanDerWaalsContact CE-OE1 3.23Å; K61-C174 PolarHBondContact N-SG 2.77Å
62	G	98.1	Very high	96.1	Very high	51 Å²	51	63.8 Å²	63.8	53%	0.526	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.3	-8.2	-176.2	0	0	0	0	0	114.7	Y60 I171	Y60-G62 PolarHBondContact O-N 2.87Å; G62-I171 PolarHBondContact N-O 3.38Å
63	S	98.3	Very high	96.3	Very high	8 Å²	8	56.7 Å²	56.7	6%	0.056	31%	0.311	C	S	.	.			trans	-73.6	163.7	174.4	77.1	0	0	0	0	111.5	Y60 K61 I171	Y60-S63 VanDerWaalsContact O-CB 3.3Å; Y60-S63 WeakPolarHBondContact O-CB 3.45Å; Y60-S63 PolarHBondContact O-N 3.17Å; Y60-S63 PolarHBondContact O-OG 2.98Å; K61-S63 VanDerWaalsContact C-N 3.25Å; K61-S63 PolarHBondContact O-N 2.79Å; S63-I171 PolarHBondContact O-N 3.11Å
64	T	98.4	Very high	96.8	Very high	39 Å²	39	50.4 Å²	50.4	24%	0.239	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-117.5	155	-173.8	66.5	0	0	0	0	113.1	H66 G76 V169 V170	T64-H66 PolarHBondContact O-N 2.92Å; T64-G76 VanDerWaalsContact O-CA 3.3Å; T64-G76 WeakPolarHBondContact O-CA 3.18Å; T64-V169 CarbonylContact C-O 3.47Å; T64-V169 WeakPolarHBondContact CA-O 3.2Å; T64-V169 WeakPolarHBondContact CB-O 3.48Å; T64-V170 HydrophobicContact CG2-CG2 4.16Å
65	F	98.7	Very high	97.2	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.009	25%	0.25	C	S	.	.			trans	-79	93.8	158.2	-65.6	-92.3	0	0	0	108.2	V17 M27 R67 V68 I74 Q75 F124 I154 P165 V169 I171	V17-F65 HydrophobicContact CG2-CE2 4.36Å; M27-F65 HydrophobicContact CE-CE2 4.48Å; M27-F65 HydrophobicContact CE-CZ 3.91Å; F65-R67 VanDerWaalsContact C-N 3.35Å; F65-V68 HydrophobicContact CB-CG2 4.46Å; F65-I74 HydrophobicContact CD1-CB 4.11Å; F65-I74 HydrophobicContact CD1-CD1 4.23Å; F65-I74 HydrophobicContact CD1-CG1 4.18Å; F65-I74 HydrophobicContact CE1-CD1 3.91Å; F65-I74 HydrophobicContact CE1-CG1 4.1Å; F65-Q75 CarbonylContact C-O 3.45Å; F65-Q75 WeakPolarHBondContact CA-O 3.39Å; F65-F124 AromaticContact CE1-CE2 3.86Å; F65-F124 HydrophobicContact CE1-CE2 3.86Å; F65-F124 HydrophobicContact CE1-CZ 4.08Å; F65-F124 HydrophobicContact CZ-CE2 4.33Å; F65-F124 HydrophobicContact CZ-CZ 4.26Å; F65-I154 HydrophobicContact CB-CG2 4.5Å; F65-I154 HydrophobicContact CD2-CD1 4.39Å; F65-I154 HydrophobicContact CE2-CD1 4.06Å; F65-I154 HydrophobicContact CG-CG2 4.42Å; F65-I154 HydrophobicContact CZ-CD1 4.29Å; F65-P165 WeakPolarHBondContact O-CG 3.5Å; F65-V169 HydrophobicContact CB-CB 4.12Å; F65-V169 HydrophobicContact CB-CG1 4.13Å; F65-V169 HydrophobicContact CD2-CB 4.33Å; F65-V169 HydrophobicContact CD2-CG1 3.57Å; F65-V169 HydrophobicContact CE2-CG1 4.38Å; F65-V169 HydrophobicContact CG-CG1 4.18Å; F65-V169 PolarHBondContact N-O 2.87Å; F65-I171 HydrophobicContact CD2-CG1 4.41Å; F65-I171 HydrophobicContact CE2-CD1 4.18Å; F65-I171 HydrophobicContact CE2-CG1 3.73Å; F65-I171 HydrophobicContact CZ-CD1 4.36Å; F65-I171 HydrophobicContact CZ-CG1 4.34Å
66	H	98.4	Very high	97.6	Very high	14 Å²	14	42 Å²	42	7%	0.065	23%	0.226	C	C	.	.			trans	-82.6	-12.4	-171.9	59.1	-92.7	0	0	0	113.2	T64 Q75 G84 Q123 K164	T64-H66 PolarHBondContact O-N 2.92Å; H66-Q75 PolarHBondContact N-O 2.97Å; H66-Q75 VanDerWaalsContact N-O 3.11Å; H66-G84 WeakPolarHBondContact NE2-CA 3.41Å; H66-Q123 PolarHBondContact CE1-OE1 2.99Å; H66-Q123 PolarHBondContact NE2-OE1 2.81Å; H66-K164 WeakPolarHBondContact O-CA 3.47Å
67	R	98.6	Very high	97.9	Very high	88 Å²	88	37.6 Å²	37.6	33%	0.332	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	123.2	179.6	-173.7	179.6	176	-120.6	3.2	111.1	F65 M73 Q75 N163	F65-R67 VanDerWaalsContact C-N 3.35Å; R67-M73 HydrophobicContact CG-CE 4.05Å; R67-Q75 HydrophobicContact CB-CB 4.25Å; R67-Q75 PolarHBondContact N-O 3.5Å; R67-Q75 PolarHBondContact O-N 3.46Å; R67-N163 HydrophobicContact CG-CB 4.21Å
68	V	98.7	Very high	98.1	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.012	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	122	-177	169.3	0	0	0	0	109.4	F65 I74 I154 V157 T159 N163 P165	F65-V68 HydrophobicContact CB-CG2 4.46Å; V68-I74 HydrophobicContact CB-CG2 4.46Å; V68-I74 HydrophobicContact CG1-CG2 4.02Å; V68-I74 HydrophobicContact CG2-CB 4.36Å; V68-I74 HydrophobicContact CG2-CG2 4.05Å; V68-I154 HydrophobicContact CG2-CG2 4.04Å; V68-V157 HydrophobicContact CG1-CG2 4.3Å; V68-T159 HydrophobicContact CB-CG2 4.07Å; V68-T159 HydrophobicContact CG1-CG2 4.27Å; V68-N163 PolarHBondContact N-O 3.12Å; V68-N163 WeakPolarHBondContact O-CB 3.42Å; V68-P165 HydrophobicContact CB-CG 4.11Å; V68-P165 HydrophobicContact CG2-CG 3.59Å
69	I	98.5	Very high	98.2	Very high	36 Å²	36	34.7 Å²	34.7	19%	0.185	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	111.3	177.5	-57.5	177.4	0	0	0	108	F72 M73 N163	I69-F72 HydrophobicContact CB-CB 4.09Å; I69-F72 HydrophobicContact CB-CD1 4.02Å; I69-F72 HydrophobicContact CD1-CD1 3.97Å; I69-F72 HydrophobicContact CD1-CE1 4.41Å; I69-F72 HydrophobicContact CG2-CB 3.81Å; I69-F72 HydrophobicContact CG2-CD1 4.05Å; I69-F72 HydrophobicContact CG2-CG 4.45Å; I69-F72 PolarHBondContact O-N 2.94Å; I69-F72 VanDerWaalsContact O-N 3.11Å; I69-M73 HydrophobicContact CB-CE 3.87Å; I69-M73 HydrophobicContact CD1-CE 3.69Å; I69-M73 HydrophobicContact CG1-CE 3.57Å; I69-M73 PolarHBondContact N-O 3.09Å; I69-M73 PolarHBondContact O-N 3.4Å; I69-N163 HydrophobicContact CD1-CB 4.44Å; I69-N163 HydrophobicContact CG1-CB 3.79Å
70	K	98	Very high	98.2	Very high	119 Å²	119	37.6 Å²	37.6	52%	0.517	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	140.6	178.3	-176.7	171.5	174.6	157.5	0	111.1	F72 E155 N156	K70-F72 PolarHBondContact O-N 2.64Å; K70-F72 VanDerWaalsContact O-N 3.14Å; K70-E155 HydrophobicContact CB-CG 4.43Å; K70-E155 HydrophobicContact CG-CG 4.29Å; K70-N156 WeakPolarHBondContact CE-OD1 3.3Å; K70-N156 PolarHBondContact NZ-OD1 3.36Å
71	D	97.1	Very high	98	Very high	109 Å²	109	42 Å²	42	58%	0.583	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.8	12	-176.9	-54.5	-50.4	0	0	0	114.3	S129 E155	D71-S129 WeakPolarHBondContact O-CB 3.36Å; D71-E155 WeakPolarHBondContact CA-OE1 3.31Å; D71-E155 PolarHBondContact N-OE1 2.6Å
72	F	98.4	Very high	97.9	Very high	45 Å²	45	37.1 Å²	37.1	20%	0.197	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129	-76.1	177.6	179.1	-146.1	0	0	0	112.3	I69 K70 C128 C131 W133 L134	I69-F72 HydrophobicContact CB-CB 4.09Å; I69-F72 HydrophobicContact CB-CD1 4.02Å; I69-F72 HydrophobicContact CD1-CD1 3.97Å; I69-F72 HydrophobicContact CD1-CE1 4.41Å; I69-F72 HydrophobicContact CG2-CB 3.81Å; I69-F72 HydrophobicContact CG2-CD1 4.05Å; I69-F72 HydrophobicContact CG2-CG 4.45Å; I69-F72 PolarHBondContact O-N 2.94Å; I69-F72 VanDerWaalsContact O-N 3.11Å; K70-F72 PolarHBondContact O-N 2.64Å; K70-F72 VanDerWaalsContact O-N 3.14Å; F72-C128 PolarHBondContact O-N 3.13Å; F72-C131 HydrophobicContact CE2-CB 4.38Å; F72-W133 AromaticContact CD2-CZ2 3.8Å; F72-W133 HydrophobicContact CD2-CZ2 3.8Å; F72-W133 AromaticContact CE2-CZ2 3.7Å; F72-W133 HydrophobicContact CE2-CZ2 3.7Å; F72-W133 AromaticContact CE2-NE1 3.86Å; F72-L134 HydrophobicContact CE2-CD1 3.94Å; F72-L134 HydrophobicContact CZ-CD1 4.24Å
73	M	98.6	Very high	97.6	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.015	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	162.5	-173.8	63.7	82.6	-127.1	0	0	113.6	R67 I69 Q75 F125 I126	R67-M73 HydrophobicContact CG-CE 4.05Å; I69-M73 HydrophobicContact CB-CE 3.87Å; I69-M73 HydrophobicContact CD1-CE 3.69Å; I69-M73 HydrophobicContact CG1-CE 3.57Å; I69-M73 PolarHBondContact N-O 3.09Å; I69-M73 PolarHBondContact O-N 3.4Å; M73-Q75 HydrophobicContact CE-CB 4.32Å; M73-Q75 HydrophobicContact SD-CB 3.6Å; M73-F125 HydrophobicContact CB-CB 4.33Å; M73-F125 HydrophobicContact CB-CD2 4.05Å; M73-F125 HydrophobicContact CG-CB 4.43Å; M73-F125 HydrophobicContact CG-CD2 4.46Å; M73-F125 HydrophobicContact SD-CB 3.95Å; M73-I126 VanDerWaalsContact CA-O 3.24Å; M73-I126 WeakPolarHBondContact CA-O 3.4Å; M73-I126 WeakPolarHBondContact CB-O 3.17Å
74	I	98.8	Very high	97.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	125.7	167.1	60.3	176.2	0	0	0	108.7	F65 V68 F125 I126 M151 I154 E155	F65-I74 HydrophobicContact CD1-CB 4.11Å; F65-I74 HydrophobicContact CD1-CD1 4.23Å; F65-I74 HydrophobicContact CD1-CG1 4.18Å; F65-I74 HydrophobicContact CE1-CD1 3.91Å; F65-I74 HydrophobicContact CE1-CG1 4.1Å; V68-I74 HydrophobicContact CB-CG2 4.46Å; V68-I74 HydrophobicContact CG1-CG2 4.02Å; V68-I74 HydrophobicContact CG2-CB 4.36Å; V68-I74 HydrophobicContact CG2-CG2 4.05Å; I74-F125 CarbonylContact O-C 3.58Å; I74-F125 WeakPolarHBondContact O-CA 3.34Å; I74-I126 HydrophobicContact CD1-CB 4.29Å; I74-I126 HydrophobicContact CD1-CD1 4.36Å; I74-I126 HydrophobicContact CG1-CB 3.8Å; I74-I126 HydrophobicContact CG1-CG1 4.49Å; I74-I126 PolarHBondContact N-O 3.34Å; I74-I126 PolarHBondContact O-N 2.96Å; I74-M151 HydrophobicContact CD1-CB 4.39Å; I74-M151 HydrophobicContact CD1-CG 3.66Å; I74-M151 HydrophobicContact CG1-CG 4.4Å; I74-I154 HydrophobicContact CB-CG2 4.2Å; I74-I154 HydrophobicContact CD1-CB 4.1Å; I74-I154 HydrophobicContact CD1-CD1 3.92Å; I74-I154 HydrophobicContact CD1-CG2 4.01Å; I74-I154 HydrophobicContact CG2-CB 4.4Å; I74-I154 HydrophobicContact CG2-CG2 3.82Å; I74-E155 HydrophobicContact CG2-CB 4.35Å
75	Q	98.8	Very high	97.3	Very high	24 Å²	24	42.3 Å²	42.3	11%	0.112	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	136.2	-175.4	174.4	178.8	-3.6	0	0	110.9	F65 H66 R67 M73 F124 F125	F65-Q75 CarbonylContact C-O 3.45Å; F65-Q75 WeakPolarHBondContact CA-O 3.39Å; H66-Q75 PolarHBondContact N-O 2.97Å; H66-Q75 VanDerWaalsContact N-O 3.11Å; R67-Q75 HydrophobicContact CB-CB 4.25Å; R67-Q75 PolarHBondContact N-O 3.5Å; R67-Q75 PolarHBondContact O-N 3.46Å; M73-Q75 HydrophobicContact CE-CB 4.32Å; M73-Q75 HydrophobicContact SD-CB 3.6Å; Q75-F124 WeakPolarHBondContact CA-O 3.29Å; Q75-F124 WeakPolarHBondContact CG-O 3.32Å; Q75-F125 HydrophobicContact CB-CB 4.06Å
76	G	98.6	Very high	97.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	-161.6	-178.3	0	0	0	0	0	112.2	T64 Q123 F124	T64-G76 VanDerWaalsContact O-CA 3.3Å; T64-G76 WeakPolarHBondContact O-CA 3.18Å; G76-Q123 WeakPolarHBondContact O-CA 3.41Å; G76-F124 PolarHBondContact N-O 2.85Å; G76-F124 PolarHBondContact O-N 3.27Å; G76-F124 VanDerWaalsContact O-N 3.08Å
77	G	97.8	Very high	97	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.245	C	C	.	.			trans	87.9	-1.4	174.1	0	0	0	0	0	115.7	Y60 F79 C122	Y60-G77 VanDerWaalsContact CE1-CA 3.46Å; G77-F79 VanDerWaalsContact C-N 3.3Å; G77-F79 VanDerWaalsContact O-CD1 3.29Å; G77-F79 WeakPolarHBondContact O-CD1 3.46Å; G77-F79 PolarHBondContact O-N 2.94Å; G77-C122 PolarHBondContact O-SG 2.98Å; G77-C122 VanDerWaalsContact O-SG 3.35Å
78	D	98.1	Very high	96.9	Very high	2 Å²	2	42 Å²	42	1%	0.011	24%	0.236	C	C	.	.			trans	-76.8	82.4	169.5	-174	-1.1	0	0	0	110.3	V80 N81 G82 D83 G84 T85 G86 Q123	D78-V80 VanDerWaalsContact C-N 3.27Å; D78-V80 PolarHBondContact OD1-N 2.88Å; D78-N81 PolarHBondContact OD1-N 2.94Å; D78-G82 WeakPolarHBondContact O-CA 3.36Å; D78-G82 PolarHBondContact O-N 2.89Å; D78-G82 PolarHBondContact OD1-N 2.83Å; D78-G82 PolarHBondContact OD2-N 2.9Å; D78-G82 VanDerWaalsContact OD2-N 3.16Å; D78-D83 PolarHBondContact OD2-N 3.3Å; D78-D83 VanDerWaalsContact OD2-N 3.12Å; D78-G84 WeakPolarHBondContact OD2-CA 3.21Å; D78-G84 PolarHBondContact OD2-N 3.33Å; D78-T85 PolarHBondContact OD2-N 3.28Å; D78-G86 WeakPolarHBondContact OD1-CA 3.42Å; D78-G86 PolarHBondContact OD2-N 2.9Å; D78-Q123 HydrophobicContact CB-CG 3.93Å
79	F	96.8	Very high	96.9	Very high	46 Å²	46	42 Å²	42	20%	0.202	24%	0.236	C	C	.	.			trans	-84.3	0.8	171.4	54.8	-108.6	0	0	0	113.2	F46 I58 G59 Y60 G77 A88 C122	F46-F79 HydrophobicContact CB-CE1 4.3Å; F46-F79 AromaticContact CD1-CE1 3.83Å; F46-F79 HydrophobicContact CD1-CE1 3.83Å; F46-F79 AromaticContact CD1-CZ 3.72Å; F46-F79 HydrophobicContact CD1-CZ 3.72Å; F46-F79 AromaticContact CD2-CE1 3.99Å; F46-F79 HydrophobicContact CD2-CE1 3.99Å; F46-F79 HydrophobicContact CD2-CZ 4.24Å; F46-F79 HydrophobicContact CE1-CE1 4.09Å; F46-F79 HydrophobicContact CE1-CE2 4.48Å; F46-F79 AromaticContact CE1-CZ 3.52Å; F46-F79 HydrophobicContact CE1-CZ 3.52Å; F46-F79 HydrophobicContact CE2-CE1 4.22Å; F46-F79 HydrophobicContact CE2-CZ 4.05Å; F46-F79 AromaticContact CG-CE1 3.78Å; F46-F79 HydrophobicContact CG-CE1 3.78Å; F46-F79 HydrophobicContact CG-CZ 4.09Å; F46-F79 HydrophobicContact CZ-CE1 4.28Å; F46-F79 AromaticContact CZ-CZ 3.69Å; F46-F79 HydrophobicContact CZ-CZ 3.69Å; I58-F79 HydrophobicContact CD1-CE2 3.96Å; I58-F79 HydrophobicContact CG1-CE2 4.44Å; G59-F79 VanDerWaalsContact O-CB 3.25Å; G59-F79 WeakPolarHBondContact O-CB 3.47Å; G59-F79 WeakPolarHBondContact O-CD1 3.25Å; G59-F79 WeakPolarHBondContact O-CG 3.45Å; Y60-F79 AromaticContact CD1-CD1 3.87Å; Y60-F79 HydrophobicContact CD1-CD1 3.87Å; Y60-F79 HydrophobicContact CD1-CE1 4.2Å; Y60-F79 HydrophobicContact CE1-CD1 4.02Å; Y60-F79 AromaticContact CE1-CE1 3.97Å; Y60-F79 HydrophobicContact CE1-CE1 3.97Å; G77-F79 VanDerWaalsContact C-N 3.3Å; G77-F79 VanDerWaalsContact O-CD1 3.29Å; G77-F79 WeakPolarHBondContact O-CD1 3.46Å; G77-F79 PolarHBondContact O-N 2.94Å; F79-A88 HydrophobicContact CE2-CB 3.82Å; F79-A88 HydrophobicContact CZ-CB 3.92Å; F79-C122 HydrophobicContact CD1-CB 4.16Å; F79-C122 HydrophobicContact CE1-CB 3.33Å; F79-C122 HydrophobicContact CE2-CB 4.39Å; F79-C122 HydrophobicContact CZ-CB 3.46Å; F79-C122 VanDerWaalsContact CZ-CB 3.46Å
80	V	95.9	Very high	96.8	Very high	73 Å²	73	41.3 Å²	41.3	44%	0.442	23%	0.233	S	C	.	.	S	Bend	trans	-91.2	-52.7	-177.7	-176.9	0	0	0	0	109.8	D78 A88	D78-V80 VanDerWaalsContact C-N 3.27Å; D78-V80 PolarHBondContact OD1-N 2.88Å; V80-A88 HydrophobicContact CG2-CB 3.87Å
81	N	96.4	Very high	96.7	Very high	94 Å²	94	40.2 Å²	40.2	50%	0.503	23%	0.226	S	C	.	.	S	Bend	trans	-119.3	-23.4	-177.7	-65	-17.7	0	0	0	112.9	D78 D83 T85	D78-N81 PolarHBondContact OD1-N 2.94Å; N81-D83 VanDerWaalsContact C-N 3.28Å; N81-D83 WeakPolarHBondContact CB-OD1 3.3Å; N81-D83 PolarHBondContact O-N 2.86Å; N81-T85 PolarHBondContact ND2-OG1 3.32Å
82	G	94.3	Very high	96.3	Very high	25 Å²	25	45.7 Å²	45.7	26%	0.258	24%	0.239	S	C	.	.	S	Bend	trans	72.8	14.2	178.5	0	0	0	0	0	115.2	D78	D78-G82 WeakPolarHBondContact O-CA 3.36Å; D78-G82 PolarHBondContact O-N 2.89Å; D78-G82 PolarHBondContact OD1-N 2.83Å; D78-G82 PolarHBondContact OD2-N 2.9Å; D78-G82 VanDerWaalsContact OD2-N 3.16Å
83	D	93.3	Very high	95.9	Very high	93 Å²	93	44.7 Å²	44.7	50%	0.497	24%	0.241	S	C	.	.	S	Bend	trans	-128.9	-1.1	-174.6	68.4	1.9	0	0	0	114.3	D78 N81 T85	D78-D83 PolarHBondContact OD2-N 3.3Å; D78-D83 VanDerWaalsContact OD2-N 3.12Å; N81-D83 VanDerWaalsContact C-N 3.28Å; N81-D83 WeakPolarHBondContact CB-OD1 3.3Å; N81-D83 PolarHBondContact O-N 2.86Å; D83-T85 WeakPolarHBondContact OD1-CB 3.19Å; D83-T85 WeakPolarHBondContact OD1-CG2 3.36Å; D83-T85 PolarHBondContact OD1-N 3.31Å; D83-T85 PolarHBondContact OD1-OG1 2.91Å
84	G	95.1	Very high	95.7	Very high	24 Å²	24	48.5 Å²	48.5	25%	0.247	27%	0.266	C	S	.	.	S	Bend	trans	97.2	1.6	-179.3	0	0	0	0	0	113.8	H66 D78 Q123	H66-G84 WeakPolarHBondContact NE2-CA 3.41Å; D78-G84 WeakPolarHBondContact OD2-CA 3.21Å; D78-G84 PolarHBondContact OD2-N 3.33Å; G84-Q123 PolarHBondContact O-NE2 3.04Å
85	T	95.6	Very high	95.7	Very high	90 Å²	90	49.5 Å²	49.5	55%	0.552	27%	0.271	S	S	*	.			trans	-96.6	-14.7	177.5	66	0	0	0	0	113.5	D78 N81 D83	D78-T85 PolarHBondContact OD2-N 3.28Å; N81-T85 PolarHBondContact ND2-OG1 3.32Å; D83-T85 WeakPolarHBondContact OD1-CB 3.19Å; D83-T85 WeakPolarHBondContact OD1-CG2 3.36Å; D83-T85 PolarHBondContact OD1-N 3.31Å; D83-T85 PolarHBondContact OD1-OG1 2.91Å
86	G	95.4	Very high	95.7	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.01	29%	0.289	C	S	.	.			trans	-71.4	140.1	-177.8	0	0	0	0	0	113.8	D78 Q123	D78-G86 WeakPolarHBondContact OD1-CA 3.42Å; D78-G86 PolarHBondContact OD2-N 2.9Å; G86-Q123 PolarHBondContact O-NE2 3.06Å
87	V	95.4	Very high	95.7	Very high	78 Å²	78	52.7 Å²	52.7	47%	0.473	30%	0.297	S	S	.	.			trans	-134	124.1	176.1	-177.9	0	0	0	0	109.3	P94	V87-P94 HydrophobicContact CG1-CB 4.32Å
88	A	95.9	Very high	95.7	Very high	17 Å²	17	55.2 Å²	55.2	14%	0.14	31%	0.309	C	S	.	.			trans	-150.2	148.1	170.7	0	0	0	0	0	109.3	F79 V80 G121 C122	F79-A88 HydrophobicContact CE2-CB 3.82Å; F79-A88 HydrophobicContact CZ-CB 3.92Å; V80-A88 HydrophobicContact CG2-CB 3.87Å; A88-G121 CarbonylContact O-C 3.55Å; A88-G121 VanDerWaalsContact O-CA 3.28Å; A88-G121 WeakPolarHBondContact O-CA 3.29Å; A88-C122 HydrophobicContact CB-CB 4.41Å; A88-C122 WeakPolarHBondContact O-CA 3.21Å; A88-C122 WeakPolarHBondContact O-CB 3.3Å; A88-C122 PolarHBondContact O-N 3.22Å
89	S	97.4	Very high	95.7	Very high	3 Å²	3	56.7 Å²	56.7	2%	0.021	32%	0.317	C	S	.	.			trans	-142.1	163.6	166.4	77.8	0	0	0	0	108.8	N42 Y91 R92 G93	N42-S89 VanDerWaalsContact OD1-CA 3.29Å; N42-S89 WeakPolarHBondContact OD1-CA 3.2Å; N42-S89 VanDerWaalsContact OD1-CB 3.3Å; N42-S89 WeakPolarHBondContact OD1-CB 3.25Å; S89-Y91 PolarHBondContact O-N 3.1Å; S89-Y91 VanDerWaalsContact O-N 3.11Å; S89-Y91 WeakPolarHBondContact OG-CB 3.43Å; S89-Y91 PolarHBondContact OG-N 3.33Å; S89-Y91 VanDerWaalsContact OG-N 3.07Å; S89-R92 PolarHBondContact O-N 3.28Å; S89-R92 VanDerWaalsContact O-N 3.16Å; S89-G93 WeakPolarHBondContact CB-O 3.33Å; S89-G93 PolarHBondContact OG-O 3.32Å
90	I	97.4	Very high	95.7	Very high	21 Å²	21	58.4 Å²	58.4	11%	0.108	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-13.5	172.5	68.6	169.3	0	0	0	112.6	E41 N42 Q45 F46 F51	E41-I90 HydrophobicContact CG-CD1 3.9Å; N42-I90 HydrophobicContact CB-CD1 4.35Å; N42-I90 HydrophobicContact CB-CG1 4.12Å; N42-I90 PolarHBondContact OD1-N 2.9Å; Q45-I90 HydrophobicContact CB-CG2 3.8Å; Q45-I90 HydrophobicContact CG-CD1 4.37Å; Q45-I90 HydrophobicContact CG-CG2 4.45Å; F46-I90 HydrophobicContact CE1-CG2 4.02Å; F46-I90 HydrophobicContact CE2-CG2 4.42Å; F46-I90 HydrophobicContact CZ-CG2 3.97Å; F51-I90 HydrophobicContact CB-CG2 3.87Å; F51-I90 HydrophobicContact CD2-CB 3.75Å; F51-I90 HydrophobicContact CD2-CG2 3.75Å; F51-I90 HydrophobicContact CE2-CB 4.13Å; F51-I90 HydrophobicContact CE2-CG2 4.49Å; F51-I90 HydrophobicContact CG-CB 4.35Å; F51-I90 HydrophobicContact CG-CG2 3.84Å
91	Y	96.6	Very high	95.8	Very high	97 Å²	97	62.6 Å²	62.6	38%	0.38	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	12.3	179.1	-48.7	-59.5	0	0	0	113.5	K38 N42 S89 F95	K38-Y91 VanDerWaalsContact CA-OH 3.26Å; K38-Y91 WeakPolarHBondContact CA-OH 3.17Å; K38-Y91 HydrophobicContact CB-CE2 4.32Å; K38-Y91 WeakPolarHBondContact CB-OH 3.41Å; K38-Y91 PolarHBondContact O-OH 2.81Å; N42-Y91 HydrophobicContact CB-CE2 4.05Å; S89-Y91 PolarHBondContact O-N 3.1Å; S89-Y91 VanDerWaalsContact O-N 3.11Å; S89-Y91 WeakPolarHBondContact OG-CB 3.43Å; S89-Y91 PolarHBondContact OG-N 3.33Å; S89-Y91 VanDerWaalsContact OG-N 3.07Å; Y91-F95 HydrophobicContact CD2-CB 4Å; Y91-F95 HydrophobicContact CD2-CD1 4.11Å; Y91-F95 HydrophobicContact CD2-CD2 4.38Å; Y91-F95 AromaticContact CD2-CG 3.92Å; Y91-F95 HydrophobicContact CD2-CG 3.92Å; Y91-F95 HydrophobicContact CE2-CD2 4.4Å; Y91-F95 HydrophobicContact CE2-CG 4.37Å
92	R	87.8	Confident	95.9	Very high	223 Å²	223	60.7 Å²	60.7	84%	0.842	33%	0.326	S	S	*	.	S	Bend	trans	63.4	53.6	174.8	-53.5	179.1	-179.1	-89.2	-2.3	113.9	S89	S89-R92 PolarHBondContact O-N 3.28Å; S89-R92 VanDerWaalsContact O-N 3.16Å
93	G	90.3	Very high	96.1	Very high	25 Å²	25	67.8 Å²	67.8	26%	0.258	35%	0.345	S	S	.	.	S	Bend	trans	145.9	-171.8	176	0	0	0	0	0	111.7	S89	S89-G93 WeakPolarHBondContact CB-O 3.33Å; S89-G93 PolarHBondContact OG-O 3.32Å
94	P	95.2	Very high	96.3	Very high	83 Å²	83	63.3 Å²	63.3	54%	0.539	32%	0.321	S	S	.	.			trans	-62.2	150.2	165.7	25.8	-31.5	0	0	0	111.3	V87 N120	V87-P94 HydrophobicContact CG1-CB 4.32Å; P94-N120 CarbonylContact C-O 3.5Å; P94-N120 WeakPolarHBondContact CA-O 3.49Å
95	F	98.1	Very high	96.5	Very high	21 Å²	21	65.7 Å²	65.7	9%	0.092	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-127.8	158.9	177	71.1	-82.9	0	0	0	112.9	T39 N42 Y91 M112 S118 N120	T39-F95 HydrophobicContact CG2-CE2 4.44Å; T39-F95 HydrophobicContact CG2-CZ 4.3Å; N42-F95 HydrophobicContact CB-CE1 4.45Å; N42-F95 HydrophobicContact CB-CZ 4.37Å; Y91-F95 HydrophobicContact CD2-CB 4Å; Y91-F95 HydrophobicContact CD2-CD1 4.11Å; Y91-F95 HydrophobicContact CD2-CD2 4.38Å; Y91-F95 AromaticContact CD2-CG 3.92Å; Y91-F95 HydrophobicContact CD2-CG 3.92Å; Y91-F95 HydrophobicContact CE2-CD2 4.4Å; Y91-F95 HydrophobicContact CE2-CG 4.37Å; F95-M112 HydrophobicContact CE1-CE 4.19Å; F95-M112 HydrophobicContact CZ-CE 4.11Å; F95-S118 CarbonylContact O-C 3.53Å; F95-N120 HydrophobicContact CD1-CB 3.77Å; F95-N120 WeakPolarHBondContact CD1-O 3.38Å; F95-N120 HydrophobicContact CD2-CB 4.03Å; F95-N120 HydrophobicContact CE1-CB 3.46Å; F95-N120 VanDerWaalsContact CE1-CB 3.46Å; F95-N120 HydrophobicContact CE2-CB 3.74Å; F95-N120 HydrophobicContact CG-CB 4.05Å; F95-N120 HydrophobicContact CZ-CB 3.45Å; F95-N120 VanDerWaalsContact CZ-CB 3.45Å; F95-N120 PolarHBondContact N-O 2.87Å; F95-N120 WeakPolarHBondContact O-CB 3.39Å; F95-N120 PolarHBondContact O-N 3.45Å; F95-N120 PolarHBondContact O-ND2 2.83Å
96	A	98.1	Very high	96.6	Very high	60 Å²	60	63.1 Å²	63.1	50%	0.496	32%	0.322	S	S	.	.			trans	-66.6	156.4	-173.8	0	0	0	0	0	113.5	E98 N120	A96-E98 PolarHBondContact O-N 3.49Å; A96-N120 PolarHBondContact O-ND2 2.88Å
97	D	98.4	Very high	96.7	Very high	30 Å²	30	65.8 Å²	65.8	16%	0.16	34%	0.339	C	S	.	.			trans	-67.4	117.9	169.5	-58.3	-55.2	0	0	0	109.3	F100 S118 N120 V139	D97-F100 HydrophobicContact CB-CE1 4.1Å; D97-F100 HydrophobicContact CB-CE2 4.07Å; D97-F100 HydrophobicContact CB-CZ 3.5Å; D97-S118 PolarHBondContact N-OG 3.07Å; D97-S118 PolarHBondContact OD2-N 3.36Å; D97-N120 WeakPolarHBondContact CA-ND2 3.36Å; D97-N120 PolarHBondContact N-ND2 3.16Å; D97-N120 PolarHBondContact OD1-ND2 3.24Å; D97-V139 HydrophobicContact CB-CG2 3.91Å
98	E	97.9	Very high	96.8	Very high	53 Å²	53	62.2 Å²	62.2	25%	0.248	32%	0.318	C	S	.	.			trans	-71.1	-47.3	-173.1	-174.2	165	-162.2	0	0	112.5	V36 P37 K38 T39 A96	V36-E98 VanDerWaalsContact CA-CD 3.47Å; V36-E98 VanDerWaalsContact CA-OE2 3.28Å; V36-E98 WeakPolarHBondContact CA-OE2 2.88Å; V36-E98 HydrophobicContact CB-CG 4.43Å; V36-E98 WeakPolarHBondContact CB-OE2 3.31Å; V36-E98 HydrophobicContact CG1-CB 4.27Å; V36-E98 HydrophobicContact CG1-CG 4.25Å; P37-E98 WeakPolarHBondContact CD-OE1 3.34Å; P37-E98 WeakPolarHBondContact CG-OE1 3.27Å; K38-E98 WeakPolarHBondContact CB-OE2 3.44Å; K38-E98 PolarHBondContact N-OE1 3.3Å; K38-E98 PolarHBondContact N-OE2 2.87Å; K38-E98 VanDerWaalsContact N-OE2 3.14Å; T39-E98 PolarHBondContact N-OE2 3.49Å; T39-E98 PolarHBondContact OG1-OE2 3.18Å; A96-E98 PolarHBondContact O-N 3.49Å
99	N	98.1	Very high	96.9	Very high	34 Å²	34	62.3 Å²	62.3	18%	0.182	32%	0.316	C	S	.	.			trans	-170.3	171.9	164.7	63	82.9	0	0	0	110.7	V35 V36 K101	V35-N99 PolarHBondContact O-ND2 3.1Å; V36-N99 WeakPolarHBondContact CG1-ND2 3.39Å; N99-K101 HydrophobicContact CB-CG 4.38Å; N99-K101 WeakPolarHBondContact OD1-CB 3.29Å; N99-K101 WeakPolarHBondContact OD1-CG 2.97Å; N99-K101 PolarHBondContact OD1-N 2.89Å; N99-K101 VanDerWaalsContact OD1-N 3.13Å
100	F	98	Very high	97	Very high	81 Å²	81	62.2 Å²	62.2	36%	0.355	32%	0.315	S	S	.	.			trans	-120.2	35.9	176.6	-54.8	-70.7	0	0	0	112.6	D97 L102 G136 V139	D97-F100 HydrophobicContact CB-CE1 4.1Å; D97-F100 HydrophobicContact CB-CE2 4.07Å; D97-F100 HydrophobicContact CB-CZ 3.5Å; F100-L102 VanDerWaalsContact C-N 3.33Å; F100-G136 WeakPolarHBondContact CZ-O 3.44Å; F100-V139 HydrophobicContact CD1-CG2 4.31Å; F100-V139 HydrophobicContact CE1-CG2 3.94Å
101	K	97.9	Very high	97.1	Very high	162 Å²	162	61.2 Å²	61.2	70%	0.704	31%	0.31	S	S	*	.			trans	-67.2	-35.4	-178.7	-69.8	175.2	179.9	175	0	112.5	V35 N99	V35-K101 HydrophobicContact CG1-CB 4.41Å; V35-K101 HydrophobicContact CG1-CD 4.29Å; N99-K101 HydrophobicContact CB-CG 4.38Å; N99-K101 WeakPolarHBondContact OD1-CB 3.29Å; N99-K101 WeakPolarHBondContact OD1-CG 2.97Å; N99-K101 PolarHBondContact OD1-N 2.89Å; N99-K101 VanDerWaalsContact OD1-N 3.13Å
102	L	97.9	Very high	97.2	Very high	54 Å²	54	56.6 Å²	56.6	28%	0.283	29%	0.292	S	S	.	.	S	Bend	trans	-89.1	142.4	-179.9	-63.3	175.8	0	0	0	110.3	F32 V35 F100 V140	F32-L102 HydrophobicContact CB-CD1 4.18Å; F32-L102 HydrophobicContact CD2-CD1 3.25Å; F32-L102 HydrophobicContact CE2-CD1 3.82Å; F32-L102 HydrophobicContact CG-CD1 3.98Å; V35-L102 HydrophobicContact CB-CD1 4.33Å; V35-L102 HydrophobicContact CG1-CD1 4.15Å; V35-L102 HydrophobicContact CG1-CG 4.15Å; F100-L102 VanDerWaalsContact C-N 3.33Å; L102-V140 HydrophobicContact CB-CB 3.77Å; L102-V140 HydrophobicContact CB-CG1 3.99Å; L102-V140 HydrophobicContact CD1-CG1 4.34Å
103	R	98.3	Very high	97.7	Very high	173 Å²	173	46.6 Å²	46.6	65%	0.653	26%	0.257	S	S	*	.			trans	-111.7	154.2	-174.5	-67.3	-173.1	138.5	177	-2.2	111.8	S105 L109 D135	R103-S105 PolarHBondContact O-N 2.98Å; R103-L109 VanDerWaalsContact O-CD1 3.25Å; R103-L109 WeakPolarHBondContact O-CD1 3.44Å; R103-D135 WeakPolarHBondContact CA-OD1 3.39Å; R103-D135 WeakPolarHBondContact CB-OD2 3.16Å; R103-D135 WeakPolarHBondContact CD-OD2 3.42Å; R103-D135 VanDerWaalsContact CG-OD2 3.28Å; R103-D135 WeakPolarHBondContact CG-OD2 3.23Å; R103-D135 IonicContact NE-OD2 3.63Å; R103-D135 PolarHBondContact NE-OD2 3.43Å
104	H	98.5	Very high	97.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.252	C	S	.	.			trans	-79.7	51.1	176.5	-57.9	82.2	0	0	0	112	A106 S111 F125 C131 L134 D135 H138 V140	H104-A106 PolarHBondContact O-N 2.86Å; H104-S111 WeakPolarHBondContact NE2-CB 3.37Å; H104-S111 PolarHBondContact NE2-OG 2.95Å; H104-F125 AromaticContact NE2-CZ 3.71Å; H104-C131 HydrophobicContact CB-CB 3.97Å; H104-C131 WeakPolarHBondContact CB-O 3.21Å; H104-C131 PolarHBondContact O-N 2.98Å; H104-L134 PolarHBondContact CE1-O 3.19Å; H104-D135 IonicContact CE1-OD1 2.82Å; H104-D135 IonicContact CG-OD1 2.72Å; H104-D135 PolarHBondContact N-OD1 3.13Å; H104-D135 IonicContact ND1-OD1 3.68Å; H104-D135 PolarHBondContact ND1-OD1 3.03Å; H104-H138 PolarHBondContact CE1-O 3.4Å; H104-H138 VanDerWaalsContact CE1-O 3.32Å; H104-V140 WeakPolarHBondContact NE2-CG2 3.33Å
105	S	97.8	Very high	97.9	Very high	74 Å²	74	48.5 Å²	48.5	52%	0.517	27%	0.266	S	S	.	.			trans	-78.9	-12.7	-166.6	59	0	0	0	0	115.1	R103 K130	R103-S105 PolarHBondContact O-N 2.98Å; S105-K130 WeakPolarHBondContact O-CG 3.39Å
106	A	97.3	Very high	97.6	Very high	36 Å²	36	48.8 Å²	48.8	30%	0.298	27%	0.274	S	S	.	.	S	Bend	trans	-151.2	161.6	-171.5	0	0	0	0	0	112.1	H104 L109 T127	H104-A106 PolarHBondContact O-N 2.86Å; A106-L109 HydrophobicContact CB-CD1 4.5Å; A106-L109 WeakPolarHBondContact O-CD1 3.39Å; A106-L109 WeakPolarHBondContact O-CG 3.41Å; A106-T127 PolarHBondContact O-OG1 2.87Å
107	P	98.1	Very high	97.5	Very high	56 Å²	56	51.5 Å²	51.5	36%	0.364	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	154.1	165.7	30.3	-36.6	0	0	0	112	C128	P107-C128 WeakPolarHBondContact CB-O 3.27Å
108	G	98.3	Very high	97.4	Very high	3 Å²	3	52.9 Å²	52.9	3%	0.031	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.4	8.7	178.7	0	0	0	0	0	114.4	T127 K143 I144	G108-T127 PolarHBondContact N-O 2.85Å; G108-T127 PolarHBondContact N-OG1 3.24Å; G108-K143 CarbonylContact O-C 3.59Å; G108-K143 VanDerWaalsContact O-CA 3.3Å; G108-K143 WeakPolarHBondContact O-CA 3.47Å; G108-I144 PolarHBondContact O-N 3.33Å
109	L	98.7	Very high	97.3	Very high	20 Å²	20	52.6 Å²	52.6	11%	0.105	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	133.6	175.8	-62.9	175.3	0	0	0	110.3	R103 A106 I126 T127 V140 K143	R103-L109 VanDerWaalsContact O-CD1 3.25Å; R103-L109 WeakPolarHBondContact O-CD1 3.44Å; A106-L109 HydrophobicContact CB-CD1 4.5Å; A106-L109 WeakPolarHBondContact O-CD1 3.39Å; A106-L109 WeakPolarHBondContact O-CG 3.41Å; L109-I126 CarbonylContact O-C 3.57Å; L109-I126 VanDerWaalsContact O-CA 3.31Å; L109-I126 WeakPolarHBondContact O-CA 3.28Å; L109-T127 HydrophobicContact CB-CG2 4.31Å; L109-T127 WeakPolarHBondContact CB-OG1 3.32Å; L109-T127 PolarHBondContact N-OG1 2.88Å; L109-T127 PolarHBondContact O-N 2.84Å; L109-V140 HydrophobicContact CB-CG1 4.37Å; L109-K143 HydrophobicContact CD2-CB 4.04Å
110	L	98.8	Very high	97.3	Very high	1 Å²	1	51 Å²	51	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	128.4	176.7	179.7	66.9	0	0	0	109.4	I29 L31 F43 F124 I126 F141 G142	I29-L110 HydrophobicContact CG2-CB 4.39Å; I29-L110 HydrophobicContact CG2-CD2 3.65Å; L31-L110 HydrophobicContact CD2-CD2 3.93Å; F43-L110 HydrophobicContact CD1-CD2 4.2Å; F43-L110 HydrophobicContact CD2-CD2 4.35Å; F43-L110 HydrophobicContact CE1-CD2 3.76Å; F43-L110 HydrophobicContact CE2-CD1 4.09Å; F43-L110 HydrophobicContact CE2-CD2 3.92Å; F43-L110 HydrophobicContact CG-CD2 4.45Å; F43-L110 HydrophobicContact CZ-CD1 4.1Å; F43-L110 HydrophobicContact CZ-CD2 3.59Å; F43-L110 HydrophobicContact CZ-CG 4.48Å; L110-F124 HydrophobicContact CD1-CB 3.95Å; L110-F124 HydrophobicContact CD1-CD2 3.36Å; L110-F124 HydrophobicContact CD1-CE2 4.11Å; L110-F124 HydrophobicContact CD1-CG 3.91Å; L110-I126 HydrophobicContact CD1-CG1 3.8Å; L110-F141 HydrophobicContact CD1-CE1 4.46Å; L110-F141 HydrophobicContact CD1-CZ 3.96Å; L110-F141 HydrophobicContact CD2-CD2 3.94Å; L110-F141 HydrophobicContact CD2-CE1 4.37Å; L110-F141 HydrophobicContact CD2-CE2 3.22Å; L110-F141 HydrophobicContact CD2-CZ 3.5Å; L110-F141 VanDerWaalsContact CD2-CZ 3.5Å; L110-F141 HydrophobicContact CG-CD1 4.43Å; L110-F141 HydrophobicContact CG-CD2 4.26Å; L110-F141 HydrophobicContact CG-CE1 3.83Å; L110-F141 HydrophobicContact CG-CE2 3.61Å; L110-F141 HydrophobicContact CG-CZ 3.38Å; L110-F141 PolarHBondContact O-N 3.48Å; L110-G142 PolarHBondContact N-O 3.17Å; L110-G142 PolarHBondContact O-N 2.8Å
111	S	98.8	Very high	97.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	151.4	-173.7	-172.7	0	0	0	0	112.3	H104 F124 F125 H138 V139 F141	H104-S111 WeakPolarHBondContact NE2-CB 3.37Å; H104-S111 PolarHBondContact NE2-OG 2.95Å; S111-F124 CarbonylContact O-C 3.49Å; S111-F124 WeakPolarHBondContact O-CA 3.25Å; S111-F125 PolarHBondContact N-O 3.39Å; S111-F125 PolarHBondContact O-N 2.96Å; S111-F125 VanDerWaalsContact OG-CZ 3.32Å; S111-F125 WeakPolarHBondContact OG-CZ 3.34Å; S111-H138 WeakPolarHBondContact OG-CB 3.37Å; S111-V139 VanDerWaalsContact CA-O 3.29Å; S111-V139 WeakPolarHBondContact CA-O 3.47Å; S111-V139 PolarHBondContact OG-O 2.69Å; S111-V139 VanDerWaalsContact OG-O 3.13Å; S111-F141 VanDerWaalsContact C-CE1 3.43Å
112	M	98.6	Very high	97.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	128.8	-175.8	-74.2	-54.5	-61.4	0	0	111.3	T39 F95 N120 G121 Q123 F125 H138 V139 F141	T39-M112 HydrophobicContact CG2-CG 3.5Å; T39-M112 VanDerWaalsContact CG2-CG 3.5Å; T39-M112 HydrophobicContact CG2-SD 3.8Å; F95-M112 HydrophobicContact CE1-CE 4.19Å; F95-M112 HydrophobicContact CZ-CE 4.11Å; M112-N120 VanDerWaalsContact CB-OD1 3.24Å; M112-N120 WeakPolarHBondContact CB-OD1 3.22Å; M112-N120 HydrophobicContact CE-CB 3.88Å; M112-N120 HydrophobicContact CG-CB 4.44Å; M112-G121 WeakPolarHBondContact CE-O 3.36Å; M112-Q123 WeakPolarHBondContact CE-O 3.35Å; M112-F125 WeakPolarHBondContact O-CE1 3.39Å; M112-H138 PolarHBondContact O-ND1 3.29Å; M112-V139 HydrophobicContact CG-CB 4.35Å; M112-V139 PolarHBondContact N-O 2.86Å; M112-F141 HydrophobicContact CB-CE1 4.44Å; M112-F141 HydrophobicContact CG-CD1 3.78Å; M112-F141 HydrophobicContact CG-CE1 3.71Å; M112-F141 HydrophobicContact SD-CD1 3.97Å; M112-F141 HydrophobicContact SD-CE1 3.38Å; M112-F141 WeakPolarHBondContact SD-CE1 3.43Å; M112-F141 HydrophobicContact SD-CZ 3.86Å
113	A	97.9	Very high	97.3	Very high	12 Å²	12	37.9 Å²	37.9	10%	0.099	24%	0.235	C	C	.	.			trans	-80.4	133.6	165	0	0	0	0	0	108.7	Q123 F125	A113-Q123 HydrophobicContact CB-CB 3.74Å; A113-Q123 PolarHBondContact N-O 2.84Å; A113-Q123 VanDerWaalsContact N-O 3.07Å; A113-F125 HydrophobicContact CB-CD1 4.28Å
114	N	95.9	Very high	97.4	Very high	31 Å²	31	29.7 Å²	29.7	17%	0.166	20%	0.203	C	C	.	.			trans	-143.3	167.7	178.8	66.1	34.4	0	0	0	110.4	K137 H138	N114-K137 PolarHBondContact ND2-O 2.75Å; N114-H138 PolarHBondContact OD1-CE1 3.02Å
115	S	93.6	Very high	97.4	Very high	118 Å²	118	30.1 Å²	30.1	83%	0.825	21%	0.206	S	C	*	.	S	Bend	trans	-114.6	31.1	-179.1	-60.6	0	0	0	0	111	T119	S115-T119 PolarHBondContact N-OG1 3.19Å
116	G	93.8	Very high	97.4	Very high	26 Å²	26	26.6 Å²	26.6	27%	0.268	18%	0.181	S	C	.	.	S	Bend	trans	131.5	174.8	-173.1	0	0	0	0	0	112.2	S118 T119	G116-S118 PolarHBondContact O-N 2.89Å; G116-T119 PolarHBondContact O-N 3.08Å; G116-T119 PolarHBondContact O-OG1 3.35Å
117	P	95.6	Very high	97.5	Very high	117 Å²	117	24.9 Å²	24.9	76%	0.76	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	133.9	179.3	-24.7	34.4	0	0	0	111.7	T119	P117-T119 VanDerWaalsContact C-N 3.31Å; P117-T119 PolarHBondContact O-N 2.98Å
118	S	94.9	Very high	97.5	Very high	59 Å²	59	22.3 Å²	22.3	41%	0.413	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	33.2	172.9	-63.1	0	0	0	0	115.3	F95 D97 G116	F95-S118 CarbonylContact O-C 3.53Å; D97-S118 PolarHBondContact N-OG 3.07Å; D97-S118 PolarHBondContact OD2-N 3.36Å; G116-S118 PolarHBondContact O-N 2.89Å
119	T	96.8	Very high	97.5	Very high	48 Å²	48	24.6 Å²	24.6	29%	0.294	17%	0.165	S	C	.	.			trans	-115.2	37.3	174.6	76.7	0	0	0	0	112.6	S115 G116 P117	S115-T119 PolarHBondContact N-OG1 3.19Å; G116-T119 PolarHBondContact O-N 3.08Å; G116-T119 PolarHBondContact O-OG1 3.35Å; P117-T119 VanDerWaalsContact C-N 3.31Å; P117-T119 PolarHBondContact O-N 2.98Å
120	N	98.2	Very high	97.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-68.4	140	179	-61.8	-59.2	0	0	0	110.1	P94 F95 A96 D97 M112	P94-N120 CarbonylContact C-O 3.5Å; P94-N120 WeakPolarHBondContact CA-O 3.49Å; F95-N120 HydrophobicContact CD1-CB 3.77Å; F95-N120 WeakPolarHBondContact CD1-O 3.38Å; F95-N120 HydrophobicContact CD2-CB 4.03Å; F95-N120 HydrophobicContact CE1-CB 3.46Å; F95-N120 VanDerWaalsContact CE1-CB 3.46Å; F95-N120 HydrophobicContact CE2-CB 3.74Å; F95-N120 HydrophobicContact CG-CB 4.05Å; F95-N120 HydrophobicContact CZ-CB 3.45Å; F95-N120 VanDerWaalsContact CZ-CB 3.45Å; F95-N120 PolarHBondContact N-O 2.87Å; F95-N120 WeakPolarHBondContact O-CB 3.39Å; F95-N120 PolarHBondContact O-N 3.45Å; F95-N120 PolarHBondContact O-ND2 2.83Å; A96-N120 PolarHBondContact O-ND2 2.88Å; D97-N120 WeakPolarHBondContact CA-ND2 3.36Å; D97-N120 PolarHBondContact N-ND2 3.16Å; D97-N120 PolarHBondContact OD1-ND2 3.24Å; M112-N120 VanDerWaalsContact CB-OD1 3.24Å; M112-N120 WeakPolarHBondContact CB-OD1 3.22Å; M112-N120 HydrophobicContact CE-CB 3.88Å; M112-N120 HydrophobicContact CG-CB 4.44Å
121	G	97.9	Very high	97.4	Very high	4 Å²	4	28.8 Å²	28.8	4%	0.041	18%	0.183	C	C	.	.			trans	-137.6	-127.6	-178	0	0	0	0	0	112	N42 A88 M112	N42-G121 PolarHBondContact ND2-O 2.99Å; A88-G121 CarbonylContact O-C 3.55Å; A88-G121 VanDerWaalsContact O-CA 3.28Å; A88-G121 WeakPolarHBondContact O-CA 3.29Å; M112-G121 WeakPolarHBondContact CE-O 3.36Å
122	C	97.9	Very high	97.3	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.007	20%	0.2	C	C	.	.	S	Bend	trans	-99.9	-18.7	179.7	54.4	0	0	0	0	112.1	F46 Y60 G77 F79 A88	F46-C122 HydrophobicContact CD2-CB 4.29Å; F46-C122 HydrophobicContact CE2-CB 3.92Å; F46-C122 HydrophobicContact CZ-CB 4.5Å; Y60-C122 WeakPolarHBondContact CE1-O 3.31Å; Y60-C122 PolarHBondContact OH-O 2.85Å; G77-C122 PolarHBondContact O-SG 2.98Å; G77-C122 VanDerWaalsContact O-SG 3.35Å; F79-C122 HydrophobicContact CD1-CB 4.16Å; F79-C122 HydrophobicContact CE1-CB 3.33Å; F79-C122 HydrophobicContact CE2-CB 4.39Å; F79-C122 HydrophobicContact CZ-CB 3.46Å; F79-C122 VanDerWaalsContact CZ-CB 3.46Å; A88-C122 HydrophobicContact CB-CB 4.41Å; A88-C122 WeakPolarHBondContact O-CA 3.21Å; A88-C122 WeakPolarHBondContact O-CB 3.3Å; A88-C122 PolarHBondContact O-N 3.22Å
123	Q	98.8	Very high	97.2	Very high	17 Å²	17	39.2 Å²	39.2	8%	0.079	23%	0.227	C	C	.	.			trans	-76.1	142	-177.6	-64.2	-172.6	52.8	0	0	111.8	H66 G76 D78 G84 G86 M112 A113	H66-Q123 PolarHBondContact CE1-OE1 2.99Å; H66-Q123 PolarHBondContact NE2-OE1 2.81Å; G76-Q123 WeakPolarHBondContact O-CA 3.41Å; D78-Q123 HydrophobicContact CB-CG 3.93Å; G84-Q123 PolarHBondContact O-NE2 3.04Å; G86-Q123 PolarHBondContact O-NE2 3.06Å; M112-Q123 WeakPolarHBondContact CE-O 3.35Å; A113-Q123 HydrophobicContact CB-CB 3.74Å; A113-Q123 PolarHBondContact N-O 2.84Å; A113-Q123 VanDerWaalsContact N-O 3.07Å
124	F	98.9	Very high	97.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	163.3	179	67.1	-90	0	0	0	109.9	F15 F43 Y60 F65 Q75 G76 L110 S111 I126 F141 I171	F15-F124 HydrophobicContact CD2-CZ 4.45Å; F15-F124 HydrophobicContact CE2-CE1 4.18Å; F15-F124 AromaticContact CE2-CE2 3.94Å; F15-F124 HydrophobicContact CE2-CE2 3.94Å; F15-F124 AromaticContact CE2-CZ 3.45Å; F15-F124 HydrophobicContact CE2-CZ 3.45Å; F15-F124 VanDerWaalsContact CE2-CZ 3.45Å; F15-F124 HydrophobicContact CZ-CE1 4.15Å; F15-F124 AromaticContact CZ-CZ 3.89Å; F15-F124 HydrophobicContact CZ-CZ 3.89Å; F43-F124 HydrophobicContact CD2-CD1 4.4Å; F43-F124 HydrophobicContact CE2-CB 4.03Å; F43-F124 AromaticContact CE2-CD1 3.51Å; F43-F124 HydrophobicContact CE2-CD1 3.51Å; F43-F124 HydrophobicContact CE2-CD2 4.2Å; F43-F124 AromaticContact CE2-CE1 3.92Å; F43-F124 HydrophobicContact CE2-CE1 3.92Å; F43-F124 AromaticContact CE2-CG 3.65Å; F43-F124 HydrophobicContact CE2-CG 3.65Å; F43-F124 HydrophobicContact CE2-CZ 4.44Å; F43-F124 HydrophobicContact CZ-CD1 4.32Å; F43-F124 HydrophobicContact CZ-CE1 4.33Å; F43-F124 HydrophobicContact CZ-CG 4.43Å; F43-F124 HydrophobicContact CZ-CZ 4.49Å; Y60-F124 HydrophobicContact CD1-CE1 4.12Å; Y60-F124 HydrophobicContact CE1-CD1 4.02Å; Y60-F124 AromaticContact CE1-CE1 3.91Å; Y60-F124 HydrophobicContact CE1-CE1 3.91Å; Y60-F124 AromaticContact CZ-CD1 3.99Å; F65-F124 AromaticContact CE1-CE2 3.86Å; F65-F124 HydrophobicContact CE1-CE2 3.86Å; F65-F124 HydrophobicContact CE1-CZ 4.08Å; F65-F124 HydrophobicContact CZ-CE2 4.33Å; F65-F124 HydrophobicContact CZ-CZ 4.26Å; Q75-F124 WeakPolarHBondContact CA-O 3.29Å; Q75-F124 WeakPolarHBondContact CG-O 3.32Å; G76-F124 PolarHBondContact N-O 2.85Å; G76-F124 PolarHBondContact O-N 3.27Å; G76-F124 VanDerWaalsContact O-N 3.08Å; L110-F124 HydrophobicContact CD1-CB 3.95Å; L110-F124 HydrophobicContact CD1-CD2 3.36Å; L110-F124 HydrophobicContact CD1-CE2 4.11Å; L110-F124 HydrophobicContact CD1-CG 3.91Å; S111-F124 CarbonylContact O-C 3.49Å; S111-F124 WeakPolarHBondContact O-CA 3.25Å; F124-I126 HydrophobicContact CD2-CG1 4.26Å; F124-I126 HydrophobicContact CE2-CD1 4.23Å; F124-I126 HydrophobicContact CE2-CG1 4.2Å; F124-F141 HydrophobicContact CB-CZ 4.27Å; F124-I171 HydrophobicContact CE1-CD1 4.49Å; F124-I171 HydrophobicContact CZ-CD1 4.12Å
125	F	98.9	Very high	97.3	Very high	10 Å²	10	39.7 Å²	39.7	4%	0.044	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	154.1	165.1	65.3	-89.7	0	0	0	111.4	M73 I74 Q75 H104 S111 M112 A113 T127 L134 H138	M73-F125 HydrophobicContact CB-CB 4.33Å; M73-F125 HydrophobicContact CB-CD2 4.05Å; M73-F125 HydrophobicContact CG-CB 4.43Å; M73-F125 HydrophobicContact CG-CD2 4.46Å; M73-F125 HydrophobicContact SD-CB 3.95Å; I74-F125 CarbonylContact O-C 3.58Å; I74-F125 WeakPolarHBondContact O-CA 3.34Å; Q75-F125 HydrophobicContact CB-CB 4.06Å; H104-F125 AromaticContact NE2-CZ 3.71Å; S111-F125 PolarHBondContact N-O 3.39Å; S111-F125 PolarHBondContact O-N 2.96Å; S111-F125 VanDerWaalsContact OG-CZ 3.32Å; S111-F125 WeakPolarHBondContact OG-CZ 3.34Å; M112-F125 WeakPolarHBondContact O-CE1 3.39Å; A113-F125 HydrophobicContact CB-CD1 4.28Å; F125-T127 HydrophobicContact CD2-CG2 4.29Å; F125-T127 HydrophobicContact CE2-CG2 3.95Å; F125-L134 HydrophobicContact CE2-CD1 3.69Å; F125-L134 HydrophobicContact CZ-CD1 3.64Å; F125-H138 HydrophobicContact CE1-CB 3.98Å; F125-H138 AromaticContact CE1-CG 3.83Å; F125-H138 AromaticContact CE1-ND1 3.84Å; F125-H138 HydrophobicContact CZ-CB 3.92Å
126	I	98.9	Very high	97.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	125.4	171.6	-56.6	173.3	0	0	0	107.9	M27 M73 I74 L109 L110 F124 I144 M151	M27-I126 HydrophobicContact CE-CD1 4.27Å; M27-I126 HydrophobicContact SD-CD1 4.43Å; M73-I126 VanDerWaalsContact CA-O 3.24Å; M73-I126 WeakPolarHBondContact CA-O 3.4Å; M73-I126 WeakPolarHBondContact CB-O 3.17Å; I74-I126 HydrophobicContact CD1-CB 4.29Å; I74-I126 HydrophobicContact CD1-CD1 4.36Å; I74-I126 HydrophobicContact CG1-CB 3.8Å; I74-I126 HydrophobicContact CG1-CG1 4.49Å; I74-I126 PolarHBondContact N-O 3.34Å; I74-I126 PolarHBondContact O-N 2.96Å; L109-I126 CarbonylContact O-C 3.57Å; L109-I126 VanDerWaalsContact O-CA 3.31Å; L109-I126 WeakPolarHBondContact O-CA 3.28Å; L110-I126 HydrophobicContact CD1-CG1 3.8Å; F124-I126 HydrophobicContact CD2-CG1 4.26Å; F124-I126 HydrophobicContact CE2-CD1 4.23Å; F124-I126 HydrophobicContact CE2-CG1 4.2Å; I126-I144 HydrophobicContact CD1-CD1 4.24Å; I126-I144 HydrophobicContact CG2-CD1 3.78Å; I126-I144 HydrophobicContact CG2-CG1 4.31Å; I126-M151 HydrophobicContact CG2-CG 4.07Å; I126-M151 HydrophobicContact CG2-SD 3.71Å
127	T	98.8	Very high	97.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	137.1	179.4	61.2	0	0	0	0	111.1	A106 G108 L109 F125 S129 M151	A106-T127 PolarHBondContact O-OG1 2.87Å; G108-T127 PolarHBondContact N-O 2.85Å; G108-T127 PolarHBondContact N-OG1 3.24Å; L109-T127 HydrophobicContact CB-CG2 4.31Å; L109-T127 WeakPolarHBondContact CB-OG1 3.32Å; L109-T127 PolarHBondContact N-OG1 2.88Å; L109-T127 PolarHBondContact O-N 2.84Å; F125-T127 HydrophobicContact CD2-CG2 4.29Å; F125-T127 HydrophobicContact CE2-CG2 3.95Å; T127-S129 WeakPolarHBondContact CB-O 3.3Å; T127-M151 VanDerWaalsContact O-SD 3.41Å
128	C	98.4	Very high	97.8	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.007	19%	0.194	C	C	.	.	S	Bend	trans	-104.4	-10.5	172.2	-63.1	0	0	0	0	112.5	F72 P107 M151 R152 E155	F72-C128 PolarHBondContact O-N 3.13Å; P107-C128 WeakPolarHBondContact CB-O 3.27Å; C128-M151 HydrophobicContact CB-CE 4.44Å; C128-R152 VanDerWaalsContact O-CZ 3.29Å; C128-R152 PolarHBondContact O-NH1 3.37Å; C128-R152 PolarHBondContact O-NH2 2.89Å; C128-E155 VanDerWaalsContact CB-CD 3.46Å; C128-E155 HydrophobicContact CB-CG 4.12Å; C128-E155 WeakPolarHBondContact CB-OE1 3.5Å
129	S	98.1	Very high	98	Very high	51 Å²	51	33.9 Å²	33.9	36%	0.357	17%	0.174	S	C	.	.	S	Bend	trans	-146.3	175.4	172.4	-166.8	0	0	0	0	110.2	D71 T127 C131	D71-S129 WeakPolarHBondContact O-CB 3.36Å; T127-S129 WeakPolarHBondContact CB-O 3.3Å; S129-C131 PolarHBondContact O-SG 3.45Å
130	K	97.8	Very high	98.1	Very high	110 Å²	110	31.8 Å²	31.8	48%	0.478	16%	0.162	S	C	.	.			trans	-66.7	130.2	171.5	178.4	177.5	175.3	-160.8	0	109.8	S105 D132	S105-K130 WeakPolarHBondContact O-CG 3.39Å; K130-D132 WeakPolarHBondContact CE-OD1 3.4Å; K130-D132 WeakPolarHBondContact CE-OD2 3.45Å; K130-D132 WeakPolarHBondContact CG-OD1 3.46Å; K130-D132 IonicContact NZ-OD1 3.74Å; K130-D132 IonicContact NZ-OD2 2.71Å; K130-D132 PolarHBondContact NZ-OD2 3.03Å
131	C	96.7	Very high	98.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.162	C	C	.	.			trans	-133.3	51.5	-169.5	-59.3	0	0	0	0	113.3	F72 H104 S129 W133 L134	F72-C131 HydrophobicContact CE2-CB 4.38Å; H104-C131 HydrophobicContact CB-CB 3.97Å; H104-C131 WeakPolarHBondContact CB-O 3.21Å; H104-C131 PolarHBondContact O-N 2.98Å; S129-C131 PolarHBondContact O-SG 3.45Å; C131-W133 HydrophobicContact CB-CH2 4.21Å; C131-W133 HydrophobicContact CB-CZ2 3.96Å; C131-W133 PolarHBondContact O-N 2.95Å; C131-L134 HydrophobicContact CB-CD1 3.8Å; C131-L134 HydrophobicContact CB-CG 4.1Å; C131-L134 WeakPolarHBondContact O-CB 3.24Å; C131-L134 PolarHBondContact O-N 3.44Å
132	D	96.8	Very high	98.2	Very high	69 Å²	69	31.6 Å²	31.6	37%	0.369	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-55.2	-24.3	-172.9	-64.2	-2.1	0	0	0	114.7	K130 L134 D135	K130-D132 WeakPolarHBondContact CE-OD1 3.4Å; K130-D132 WeakPolarHBondContact CE-OD2 3.45Å; K130-D132 WeakPolarHBondContact CG-OD1 3.46Å; K130-D132 IonicContact NZ-OD1 3.74Å; K130-D132 IonicContact NZ-OD2 2.71Å; K130-D132 PolarHBondContact NZ-OD2 3.03Å; D132-L134 PolarHBondContact O-N 3.34Å; D132-D135 VanDerWaalsContact O-CB 3.31Å; D132-D135 WeakPolarHBondContact O-CB 3.24Å; D132-D135 PolarHBondContact O-N 3.41Å; D132-D135 VanDerWaalsContact O-N 3.09Å
133	W	97.5	Very high	98.2	Very high	150 Å²	150	33.6 Å²	33.6	57%	0.568	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	-68.4	-9.9	177.6	60.4	85.7	0	0	0	114.3	F72 C131 K137	F72-W133 AromaticContact CD2-CZ2 3.8Å; F72-W133 HydrophobicContact CD2-CZ2 3.8Å; F72-W133 AromaticContact CE2-CZ2 3.7Å; F72-W133 HydrophobicContact CE2-CZ2 3.7Å; F72-W133 AromaticContact CE2-NE1 3.86Å; C131-W133 HydrophobicContact CB-CH2 4.21Å; C131-W133 HydrophobicContact CB-CZ2 3.96Å; C131-W133 PolarHBondContact O-N 2.95Å; W133-K137 PolarHBondContact O-NZ 2.79Å
134	L	97.8	Very high	98.2	Very high	15 Å²	15	33.5 Å²	33.5	8%	0.079	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-91.7	-11.5	173.9	-58	-176.2	0	0	0	113	F72 H104 F125 C131 D132 G136 K137 H138	F72-L134 HydrophobicContact CE2-CD1 3.94Å; F72-L134 HydrophobicContact CZ-CD1 4.24Å; H104-L134 PolarHBondContact CE1-O 3.19Å; F125-L134 HydrophobicContact CE2-CD1 3.69Å; F125-L134 HydrophobicContact CZ-CD1 3.64Å; C131-L134 HydrophobicContact CB-CD1 3.8Å; C131-L134 HydrophobicContact CB-CG 4.1Å; C131-L134 WeakPolarHBondContact O-CB 3.24Å; C131-L134 PolarHBondContact O-N 3.44Å; D132-L134 PolarHBondContact O-N 3.34Å; L134-G136 PolarHBondContact O-N 2.87Å; L134-K137 PolarHBondContact O-N 3.48Å; L134-K137 VanDerWaalsContact O-N 3.1Å; L134-H138 PolarHBondContact O-N 2.72Å
135	D	97.7	Very high	98.1	Very high	37 Å²	37	34.2 Å²	34.2	20%	0.198	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	137.3	177.2	-70.7	-3.8	0	0	0	110.6	R103 H104 D132 K137	R103-D135 WeakPolarHBondContact CA-OD1 3.39Å; R103-D135 WeakPolarHBondContact CB-OD2 3.16Å; R103-D135 WeakPolarHBondContact CD-OD2 3.42Å; R103-D135 VanDerWaalsContact CG-OD2 3.28Å; R103-D135 WeakPolarHBondContact CG-OD2 3.23Å; R103-D135 IonicContact NE-OD2 3.63Å; R103-D135 PolarHBondContact NE-OD2 3.43Å; H104-D135 IonicContact CE1-OD1 2.82Å; H104-D135 IonicContact CG-OD1 2.72Å; H104-D135 PolarHBondContact N-OD1 3.13Å; H104-D135 IonicContact ND1-OD1 3.68Å; H104-D135 PolarHBondContact ND1-OD1 3.03Å; D132-D135 VanDerWaalsContact O-CB 3.31Å; D132-D135 WeakPolarHBondContact O-CB 3.24Å; D132-D135 PolarHBondContact O-N 3.41Å; D132-D135 VanDerWaalsContact O-N 3.09Å; D135-K137 PolarHBondContact O-N 3.22Å
136	G	97.4	Very high	98.1	Very high	45 Å²	45	36.5 Å²	36.5	46%	0.464	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	1.7	-176	0	0	0	0	0	115.1	F100 L134	F100-G136 WeakPolarHBondContact CZ-O 3.44Å; L134-G136 PolarHBondContact O-N 2.87Å
137	K	97.9	Very high	98	Very high	122 Å²	122	37 Å²	37	53%	0.53	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-33.7	179.5	-59.8	174.3	-172.6	158.9	0	113.1	N114 W133 L134 D135	N114-K137 PolarHBondContact ND2-O 2.75Å; W133-K137 PolarHBondContact O-NZ 2.79Å; L134-K137 PolarHBondContact O-N 3.48Å; L134-K137 VanDerWaalsContact O-N 3.1Å; D135-K137 PolarHBondContact O-N 3.22Å
138	H	98.6	Very high	97.9	Very high	32 Å²	32	40.6 Å²	40.6	15%	0.148	21%	0.209	C	C	.	.	S	Bend	trans	-125.5	132.5	-179.2	-61.4	-81.1	0	0	0	110.1	H104 S111 M112 N114 F125 L134 V140	H104-H138 PolarHBondContact CE1-O 3.4Å; H104-H138 VanDerWaalsContact CE1-O 3.32Å; S111-H138 WeakPolarHBondContact OG-CB 3.37Å; M112-H138 PolarHBondContact O-ND1 3.29Å; N114-H138 PolarHBondContact OD1-CE1 3.02Å; F125-H138 HydrophobicContact CE1-CB 3.98Å; F125-H138 AromaticContact CE1-CG 3.83Å; F125-H138 AromaticContact CE1-ND1 3.84Å; F125-H138 HydrophobicContact CZ-CB 3.92Å; L134-H138 PolarHBondContact O-N 2.72Å; H138-V140 PolarHBondContact O-N 3.26Å
139	V	98.7	Very high	97.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.243	C	C	.	.			trans	-77.6	113.5	179.6	-179.5	0	0	0	0	108.7	V36 T39 D97 F100 S111 M112 F141	V36-V139 HydrophobicContact CG1-CG1 3.89Å; T39-V139 HydrophobicContact CG2-CG1 4.23Å; D97-V139 HydrophobicContact CB-CG2 3.91Å; F100-V139 HydrophobicContact CD1-CG2 4.31Å; F100-V139 HydrophobicContact CE1-CG2 3.94Å; S111-V139 VanDerWaalsContact CA-O 3.29Å; S111-V139 WeakPolarHBondContact CA-O 3.47Å; S111-V139 PolarHBondContact OG-O 2.69Å; S111-V139 VanDerWaalsContact OG-O 3.13Å; M112-V139 HydrophobicContact CG-CB 4.35Å; M112-V139 PolarHBondContact N-O 2.86Å; V139-F141 WeakPolarHBondContact O-CD1 3.14Å
140	V	98.8	Very high	97.9	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.024	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	128.1	167.3	176.9	0	0	0	0	108.3	F32 L102 H104 L109 H138	F32-V140 HydrophobicContact CE2-CG1 4.18Å; L102-V140 HydrophobicContact CB-CB 3.77Å; L102-V140 HydrophobicContact CB-CG1 3.99Å; L102-V140 HydrophobicContact CD1-CG1 4.34Å; H104-V140 WeakPolarHBondContact NE2-CG2 3.33Å; L109-V140 HydrophobicContact CB-CG1 4.37Å; H138-V140 PolarHBondContact O-N 3.26Å
141	F	98.8	Very high	98	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	5.4	-173.2	71	-90.4	0	0	0	114.9	L31 F32 V36 T39 F43 L110 S111 M112 F124 V139	L31-F141 HydrophobicContact CD2-CD2 4.34Å; L31-F141 HydrophobicContact CD2-CE2 4.29Å; F32-F141 VanDerWaalsContact CD2-C 3.41Å; F32-F141 PolarHBondContact N-O 3.16Å; V36-F141 HydrophobicContact CG2-CB 3.48Å; V36-F141 VanDerWaalsContact CG2-CB 3.48Å; T39-F141 HydrophobicContact CG2-CB 3.66Å; T39-F141 HydrophobicContact CG2-CD1 3.71Å; T39-F141 HydrophobicContact CG2-CD2 4.21Å; T39-F141 HydrophobicContact CG2-CE1 4.38Å; T39-F141 HydrophobicContact CG2-CG 3.61Å; F43-F141 HydrophobicContact CB-CD2 4.33Å; F43-F141 HydrophobicContact CB-CE2 3.53Å; F43-F141 HydrophobicContact CB-CZ 4.2Å; F43-F141 HydrophobicContact CD1-CE2 4.1Å; F43-F141 AromaticContact CD2-CE2 3.47Å; F43-F141 HydrophobicContact CD2-CE2 3.47Å; F43-F141 VanDerWaalsContact CD2-CE2 3.47Å; F43-F141 AromaticContact CD2-CZ 3.42Å; F43-F141 HydrophobicContact CD2-CZ 3.42Å; F43-F141 VanDerWaalsContact CD2-CZ 3.42Å; F43-F141 HydrophobicContact CE2-CE2 4.1Å; F43-F141 AromaticContact CE2-CZ 3.86Å; F43-F141 HydrophobicContact CE2-CZ 3.86Å; F43-F141 AromaticContact CG-CE2 3.44Å; F43-F141 HydrophobicContact CG-CE2 3.44Å; F43-F141 VanDerWaalsContact CG-CE2 3.44Å; F43-F141 AromaticContact CG-CZ 3.92Å; F43-F141 HydrophobicContact CG-CZ 3.92Å; L110-F141 HydrophobicContact CD1-CE1 4.46Å; L110-F141 HydrophobicContact CD1-CZ 3.96Å; L110-F141 HydrophobicContact CD2-CD2 3.94Å; L110-F141 HydrophobicContact CD2-CE1 4.37Å; L110-F141 HydrophobicContact CD2-CE2 3.22Å; L110-F141 HydrophobicContact CD2-CZ 3.5Å; L110-F141 VanDerWaalsContact CD2-CZ 3.5Å; L110-F141 HydrophobicContact CG-CD1 4.43Å; L110-F141 HydrophobicContact CG-CD2 4.26Å; L110-F141 HydrophobicContact CG-CE1 3.83Å; L110-F141 HydrophobicContact CG-CE2 3.61Å; L110-F141 HydrophobicContact CG-CZ 3.38Å; L110-F141 PolarHBondContact O-N 3.48Å; S111-F141 VanDerWaalsContact C-CE1 3.43Å; M112-F141 HydrophobicContact CB-CE1 4.44Å; M112-F141 HydrophobicContact CG-CD1 3.78Å; M112-F141 HydrophobicContact CG-CE1 3.71Å; M112-F141 HydrophobicContact SD-CD1 3.97Å; M112-F141 HydrophobicContact SD-CE1 3.38Å; M112-F141 WeakPolarHBondContact SD-CE1 3.43Å; M112-F141 HydrophobicContact SD-CZ 3.86Å; F124-F141 HydrophobicContact CB-CZ 4.27Å; V139-F141 WeakPolarHBondContact O-CD1 3.14Å
142	G	98.5	Very high	98	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.5	-177.9	172	0	0	0	0	0	113.5	E30 F32 L110	E30-G142 CarbonylContact O-C 3.53Å; E30-G142 WeakPolarHBondContact O-CA 3.28Å; F32-G142 VanDerWaalsContact CD2-CA 3.48Å; F32-G142 VanDerWaalsContact CD2-N 3.28Å; F32-G142 VanDerWaalsContact CE2-CA 3.43Å; F32-G142 WeakPolarHBondContact CE2-O 2.81Å; L110-G142 PolarHBondContact N-O 3.17Å; L110-G142 PolarHBondContact O-N 2.8Å
143	K	98.4	Very high	98.1	Very high	43 Å²	43	45.6 Å²	45.6	19%	0.187	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	150.4	172.1	67.1	-178.4	177.7	-169.1	0	111.8	S6 I29 E30 F32 G108 L109 I145	S6-K143 PolarHBondContact OG-NZ 2.87Å; S6-K143 VanDerWaalsContact OG-NZ 3.09Å; I29-K143 CarbonylContact C-O 3.52Å; I29-K143 VanDerWaalsContact CA-O 3.29Å; I29-K143 WeakPolarHBondContact CA-O 3.25Å; E30-K143 HydrophobicContact CB-CG 4.39Å; E30-K143 PolarHBondContact N-O 3.34Å; E30-K143 PolarHBondContact O-N 3.49Å; E30-K143 WeakPolarHBondContact OE2-CE 3.34Å; E30-K143 IonicContact OE2-NZ 3.28Å; E30-K143 PolarHBondContact OE2-NZ 3.38Å; F32-K143 HydrophobicContact CE1-CD 4.07Å; F32-K143 HydrophobicContact CE1-CG 3.92Å; F32-K143 HydrophobicContact CZ-CB 3.81Å; F32-K143 HydrophobicContact CZ-CD 3.86Å; F32-K143 HydrophobicContact CZ-CG 3.66Å; G108-K143 CarbonylContact O-C 3.59Å; G108-K143 VanDerWaalsContact O-CA 3.3Å; G108-K143 WeakPolarHBondContact O-CA 3.47Å; L109-K143 HydrophobicContact CD2-CB 4.04Å; K143-I145 HydrophobicContact CG-CG2 4.13Å; K143-I145 PolarHBondContact O-N 3.19Å
144	I	98.4	Very high	98.2	Very high	15 Å²	15	38.4 Å²	38.4	8%	0.077	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	122.8	166.6	-64.9	-179.9	0	0	0	108.7	M27 K28 I29 G108 I126 D146 L148 M151	M27-I144 HydrophobicContact SD-CD1 3.73Å; K28-I144 WeakPolarHBondContact O-CA 3.38Å; I29-I144 HydrophobicContact CG1-CG1 4.39Å; G108-I144 PolarHBondContact O-N 3.33Å; I126-I144 HydrophobicContact CD1-CD1 4.24Å; I126-I144 HydrophobicContact CG2-CD1 3.78Å; I126-I144 HydrophobicContact CG2-CG1 4.31Å; I144-D146 VanDerWaalsContact CG2-O 3.23Å; I144-D146 WeakPolarHBondContact CG2-O 3.35Å; I144-L148 HydrophobicContact CD1-CD1 4.43Å; I144-L148 HydrophobicContact CG2-CB 4.44Å; I144-L148 HydrophobicContact CG2-CD1 4.5Å; I144-M151 HydrophobicContact CD1-CB 3.75Å; I144-M151 HydrophobicContact CD1-CG 4Å; I144-M151 HydrophobicContact CD1-SD 3.94Å
145	I	97.5	Very high	98.2	Very high	14 Å²	14	38 Å²	38	7%	0.072	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	-20.7	173.4	57.9	169.9	0	0	0	112.2	A2 V3 N5 V12 K28 E30 K143	A2-I145 CarbonylContact C-O 3.52Å; A2-I145 VanDerWaalsContact CA-O 3.25Å; A2-I145 WeakPolarHBondContact CA-O 3.43Å; V3-I145 PolarHBondContact N-O 2.83Å; N5-I145 VanDerWaalsContact OD1-CD1 3.31Å; N5-I145 WeakPolarHBondContact OD1-CD1 3.32Å; V12-I145 HydrophobicContact CG1-CD1 3.81Å; V12-I145 HydrophobicContact CG2-CD1 3.97Å; K28-I145 HydrophobicContact CB-CD1 4.3Å; K28-I145 HydrophobicContact CB-CG1 3.83Å; K28-I145 WeakPolarHBondContact O-CG1 3.36Å; K28-I145 PolarHBondContact O-N 3.12Å; E30-I145 HydrophobicContact CB-CG2 3.73Å; K143-I145 HydrophobicContact CG-CG2 4.13Å; K143-I145 PolarHBondContact O-N 3.19Å
146	D	97.9	Very high	98.2	Very high	58 Å²	58	40.3 Å²	40.3	31%	0.31	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	148.2	175.2	-166.8	7.1	0	0	0	109.8	M27 K28 I144	M27-D146 WeakPolarHBondContact CA-O 3.35Å; K28-D146 HydrophobicContact CB-CB 3.89Å; K28-D146 HydrophobicContact CD-CB 3.76Å; K28-D146 WeakPolarHBondContact CE-OD2 3.39Å; K28-D146 HydrophobicContact CG-CB 3.97Å; K28-D146 PolarHBondContact N-O 3.01Å; K28-D146 IonicContact NZ-OD2 3.68Å; K28-D146 PolarHBondContact NZ-OD2 3Å; K28-D146 PolarHBondContact O-N 3.39Å; I144-D146 VanDerWaalsContact CG2-O 3.23Å; I144-D146 WeakPolarHBondContact CG2-O 3.35Å
147	G	97.4	Very high	98.3	Very high	12 Å²	12	39 Å²	39	12%	0.124	19%	0.191	C	C	.	.			trans	86.9	22.8	-178.6	0	0	0	0	0	115.6	R26 L149 V150 M151	R26-G147 WeakPolarHBondContact O-CA 3.35Å; G147-L149 PolarHBondContact O-N 2.72Å; G147-L149 VanDerWaalsContact O-N 3.15Å; G147-V150 WeakPolarHBondContact O-CA 3.28Å; G147-V150 VanDerWaalsContact O-CB 3.28Å; G147-V150 WeakPolarHBondContact O-CB 3.48Å; G147-V150 PolarHBondContact O-N 2.86Å; G147-M151 PolarHBondContact O-N 3.25Å
148	L	97.4	Very high	98.3	Very high	75 Å²	75	37 Å²	37	39%	0.393	19%	0.19	S	C	.	.	H	α-helix	trans	-56.6	-30.9	173.9	-166	71	0	0	0	112.6	I144 V150 M151 R152	I144-L148 HydrophobicContact CD1-CD1 4.43Å; I144-L148 HydrophobicContact CG2-CB 4.44Å; I144-L148 HydrophobicContact CG2-CD1 4.5Å; L148-V150 VanDerWaalsContact C-N 3.29Å; L148-V150 PolarHBondContact O-N 3.14Å; L148-M151 HydrophobicContact CD1-CE 3.72Å; L148-M151 HydrophobicContact CD1-SD 3.81Å; L148-M151 HydrophobicContact CG-CE 4.3Å; L148-M151 WeakPolarHBondContact O-CB 3.1Å; L148-M151 PolarHBondContact O-N 2.86Å; L148-R152 WeakPolarHBondContact O-CG 3.3Å; L148-R152 PolarHBondContact O-N 2.76Å
149	L	98	Very high	98.3	Very high	138 Å²	138	38 Å²	38	72%	0.723	20%	0.199	S	C	*	.	H	α-helix	trans	-65	-31.8	173.3	-67.5	177.5	0	0	0	112.6	G147 R152 K153	G147-L149 PolarHBondContact O-N 2.72Å; G147-L149 VanDerWaalsContact O-N 3.15Å; L149-R152 PolarHBondContact O-N 2.99Å; L149-K153 WeakPolarHBondContact O-CG 3.29Å; L149-K153 PolarHBondContact O-N 2.81Å
150	V	98.6	Very high	98.2	Very high	10 Å²	10	39.2 Å²	39.2	6%	0.061	21%	0.212	C	C	.	.	H	α-helix	trans	-66.8	-46.4	174.4	-179.3	0	0	0	0	109.6	V17 V24 M27 G147 L148 R152 K153 I154	V17-V150 HydrophobicContact CB-CG1 4.14Å; V17-V150 HydrophobicContact CG2-CG1 4.29Å; V24-V150 HydrophobicContact CG2-CG1 4.05Å; M27-V150 HydrophobicContact CG-CB 3.73Å; M27-V150 HydrophobicContact CG-CG1 3.87Å; M27-V150 HydrophobicContact SD-CB 4.41Å; M27-V150 HydrophobicContact SD-CG1 4.38Å; G147-V150 WeakPolarHBondContact O-CA 3.28Å; G147-V150 VanDerWaalsContact O-CB 3.28Å; G147-V150 WeakPolarHBondContact O-CB 3.48Å; G147-V150 PolarHBondContact O-N 2.86Å; L148-V150 VanDerWaalsContact C-N 3.29Å; L148-V150 PolarHBondContact O-N 3.14Å; V150-R152 VanDerWaalsContact C-N 3.3Å; V150-R152 PolarHBondContact O-N 3.25Å; V150-K153 WeakPolarHBondContact O-CB 3.26Å; V150-K153 PolarHBondContact O-N 3.26Å; V150-K153 VanDerWaalsContact O-N 3.09Å; V150-I154 HydrophobicContact CG1-CD1 4.33Å; V150-I154 WeakPolarHBondContact O-CG1 3.22Å; V150-I154 PolarHBondContact O-N 3.03Å
151	M	98.4	Very high	98.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-54.4	-45.6	172.3	-175.8	-151.6	75.8	0	0	111.5	M27 I74 I126 T127 C128 I144 G147 L148 K153 I154 E155	M27-M151 HydrophobicContact SD-CB 3.86Å; I74-M151 HydrophobicContact CD1-CB 4.39Å; I74-M151 HydrophobicContact CD1-CG 3.66Å; I74-M151 HydrophobicContact CG1-CG 4.4Å; I126-M151 HydrophobicContact CG2-CG 4.07Å; I126-M151 HydrophobicContact CG2-SD 3.71Å; T127-M151 VanDerWaalsContact O-SD 3.41Å; C128-M151 HydrophobicContact CB-CE 4.44Å; I144-M151 HydrophobicContact CD1-CB 3.75Å; I144-M151 HydrophobicContact CD1-CG 4Å; I144-M151 HydrophobicContact CD1-SD 3.94Å; G147-M151 PolarHBondContact O-N 3.25Å; L148-M151 HydrophobicContact CD1-CE 3.72Å; L148-M151 HydrophobicContact CD1-SD 3.81Å; L148-M151 HydrophobicContact CG-CE 4.3Å; L148-M151 WeakPolarHBondContact O-CB 3.1Å; L148-M151 PolarHBondContact O-N 2.86Å; M151-K153 PolarHBondContact O-N 2.82Å; M151-I154 PolarHBondContact O-N 3.42Å; M151-E155 WeakPolarHBondContact O-CB 3.42Å; M151-E155 PolarHBondContact O-N 2.91Å
152	R	98.4	Very high	97.9	Very high	78 Å²	78	51.4 Å²	51.4	29%	0.294	28%	0.283	S	S	.	.	H	α-helix	trans	-64.5	-34.7	176.8	-67.5	-59.3	-176.4	-172.9	-4.7	113.3	C128 L148 L149 V150 E155 N156	C128-R152 VanDerWaalsContact O-CZ 3.29Å; C128-R152 PolarHBondContact O-NH1 3.37Å; C128-R152 PolarHBondContact O-NH2 2.89Å; L148-R152 WeakPolarHBondContact O-CG 3.3Å; L148-R152 PolarHBondContact O-N 2.76Å; L149-R152 PolarHBondContact O-N 2.99Å; V150-R152 VanDerWaalsContact C-N 3.3Å; V150-R152 PolarHBondContact O-N 3.25Å; R152-E155 WeakPolarHBondContact CD-OE2 3.44Å; R152-E155 IonicContact CZ-OE2 3.9Å; R152-E155 IonicContact NE-OE2 2.72Å; R152-E155 VanDerWaalsContact NH1-CD 3.33Å; R152-E155 IonicContact NH1-OE1 3.6Å; R152-E155 PolarHBondContact NH1-OE1 2.98Å; R152-E155 IonicContact NH1-OE2 3.67Å; R152-E155 PolarHBondContact NH1-OE2 3.46Å; R152-N156 PolarHBondContact O-N 3.01Å; R152-N156 PolarHBondContact O-ND2 2.86Å
153	K	98.4	Very high	97.9	Very high	109 Å²	109	54.4 Å²	54.4	47%	0.474	30%	0.299	S	S	.	.	H	α-helix	trans	-63.4	-44.9	172.3	-72.7	175.8	-174.5	-179.2	0	111	I19 V24 L149 V150 M151 N156	I19-K153 HydrophobicContact CD1-CB 4.47Å; V24-K153 HydrophobicContact CB-CD 4.14Å; V24-K153 PolarHBondContact O-NZ 3.43Å; L149-K153 WeakPolarHBondContact O-CG 3.29Å; L149-K153 PolarHBondContact O-N 2.81Å; V150-K153 WeakPolarHBondContact O-CB 3.26Å; V150-K153 PolarHBondContact O-N 3.26Å; V150-K153 VanDerWaalsContact O-N 3.09Å; M151-K153 PolarHBondContact O-N 2.82Å; K153-N156 PolarHBondContact O-N 3.23Å
154	I	98.6	Very high	97.9	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61.8	-47	177.1	-59.4	165.3	0	0	0	110.3	V17 I19 M27 F65 V68 I74 V150 M151 N156 V157 V169	V17-I154 HydrophobicContact CG1-CD1 3.94Å; V17-I154 HydrophobicContact CG1-CG1 4.23Å; V17-I154 HydrophobicContact CG2-CD1 4.34Å; I19-I154 HydrophobicContact CD1-CG1 4.46Å; M27-I154 HydrophobicContact CE-CD1 3.82Å; M27-I154 HydrophobicContact SD-CD1 4.48Å; F65-I154 HydrophobicContact CB-CG2 4.5Å; F65-I154 HydrophobicContact CD2-CD1 4.39Å; F65-I154 HydrophobicContact CE2-CD1 4.06Å; F65-I154 HydrophobicContact CG-CG2 4.42Å; F65-I154 HydrophobicContact CZ-CD1 4.29Å; V68-I154 HydrophobicContact CG2-CG2 4.04Å; I74-I154 HydrophobicContact CB-CG2 4.2Å; I74-I154 HydrophobicContact CD1-CB 4.1Å; I74-I154 HydrophobicContact CD1-CD1 3.92Å; I74-I154 HydrophobicContact CD1-CG2 4.01Å; I74-I154 HydrophobicContact CG2-CB 4.4Å; I74-I154 HydrophobicContact CG2-CG2 3.82Å; V150-I154 HydrophobicContact CG1-CD1 4.33Å; V150-I154 WeakPolarHBondContact O-CG1 3.22Å; V150-I154 PolarHBondContact O-N 3.03Å; M151-I154 PolarHBondContact O-N 3.42Å; I154-N156 PolarHBondContact O-N 2.79Å; I154-V157 WeakPolarHBondContact O-CG1 3.42Å; I154-V157 WeakPolarHBondContact O-CG2 3.33Å; I154-V157 PolarHBondContact O-N 2.82Å; I154-V169 HydrophobicContact CB-CG1 4.41Å; I154-V169 HydrophobicContact CD1-CG1 4.2Å; I154-V169 HydrophobicContact CG1-CG1 3.84Å; I154-V169 HydrophobicContact CG2-CG1 3.79Å; I154-V169 HydrophobicContact CG2-CG2 4.37Å
155	E	98.6	Very high	97.9	Very high	5 Å²	5	58 Å²	58	2%	0.023	32%	0.315	C	S	.	.	H	α-helix	trans	-56.1	-33.8	179.3	-178.5	-170.9	-160.6	0	0	113.4	K70 D71 I74 C128 M151 R152	K70-E155 HydrophobicContact CB-CG 4.43Å; K70-E155 HydrophobicContact CG-CG 4.29Å; D71-E155 WeakPolarHBondContact CA-OE1 3.31Å; D71-E155 PolarHBondContact N-OE1 2.6Å; I74-E155 HydrophobicContact CG2-CB 4.35Å; C128-E155 VanDerWaalsContact CB-CD 3.46Å; C128-E155 HydrophobicContact CB-CG 4.12Å; C128-E155 WeakPolarHBondContact CB-OE1 3.5Å; M151-E155 WeakPolarHBondContact O-CB 3.42Å; M151-E155 PolarHBondContact O-N 2.91Å; R152-E155 WeakPolarHBondContact CD-OE2 3.44Å; R152-E155 IonicContact CZ-OE2 3.9Å; R152-E155 IonicContact NE-OE2 2.72Å; R152-E155 VanDerWaalsContact NH1-CD 3.33Å; R152-E155 IonicContact NH1-OE1 3.6Å; R152-E155 PolarHBondContact NH1-OE1 2.98Å; R152-E155 IonicContact NH1-OE2 3.67Å; R152-E155 PolarHBondContact NH1-OE2 3.46Å
156	N	98.4	Very high	97.9	Very high	87 Å²	87	64.4 Å²	64.4	47%	0.465	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	8.7	-175.7	-74.8	-83.1	0	0	0	114	K70 R152 K153 I154	K70-N156 WeakPolarHBondContact CE-OD1 3.3Å; K70-N156 PolarHBondContact NZ-OD1 3.36Å; R152-N156 PolarHBondContact O-N 3.01Å; R152-N156 PolarHBondContact O-ND2 2.86Å; K153-N156 PolarHBondContact O-N 3.23Å; I154-N156 PolarHBondContact O-N 2.79Å
157	V	98.3	Very high	97.9	Very high	16 Å²	16	66.1 Å²	66.1	10%	0.097	35%	0.351	C	S	.	.	S	Bend	trans	-66.9	145.2	174.3	-59.2	0	0	0	0	111	I19 V68 I154 T159 P165 V169	I19-V157 HydrophobicContact CD1-CG1 3.78Å; I19-V157 HydrophobicContact CG2-CG1 4.07Å; V68-V157 HydrophobicContact CG1-CG2 4.3Å; I154-V157 WeakPolarHBondContact O-CG1 3.42Å; I154-V157 WeakPolarHBondContact O-CG2 3.33Å; I154-V157 PolarHBondContact O-N 2.82Å; V157-T159 PolarHBondContact O-N 3.43Å; V157-P165 HydrophobicContact CG2-CB 3.86Å; V157-P165 HydrophobicContact CG2-CG 4.05Å; V157-V169 HydrophobicContact CG1-CG2 4.22Å; V157-V169 HydrophobicContact CG2-CG2 4.3Å
158	P	98.3	Very high	97.9	Very high	81 Å²	81	69.3 Å²	69.3	53%	0.526	37%	0.37	S	S	.	.			trans	-60	129.8	171.3	-23.7	34.2	0	0	0	111.2	K166	P158-K166 HydrophobicContact CB-CD 4.04Å; P158-K166 HydrophobicContact CB-CG 4.38Å; P158-K166 PolarHBondContact O-N 3.43Å
159	T	98.5	Very high	98	Very high	53 Å²	53	65.8 Å²	65.8	33%	0.325	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-108.4	156.2	176.6	58.4	0	0	0	0	111.8	V68 V157 K164 K166	V68-T159 HydrophobicContact CB-CG2 4.07Å; V68-T159 HydrophobicContact CG1-CG2 4.27Å; V157-T159 PolarHBondContact O-N 3.43Å; T159-K164 CarbonylContact C-O 3.44Å; T159-K164 WeakPolarHBondContact CA-O 3.29Å; T159-K166 WeakPolarHBondContact O-CE 3.27Å
160	G	97.3	Very high	98	Very high	26 Å²	26	60.8 Å²	60.8	27%	0.268	33%	0.326	S	S	.	.			trans	-112.6	-155.8	174	0	0	0	0	0	111.9	N163 K164	G160-N163 PolarHBondContact O-N 3.29Å; G160-N163 VanDerWaalsContact O-N 3.16Å; G160-K164 PolarHBondContact N-O 3.37Å
161	P	96.5	Very high	98	Very high	115 Å²	115	60.3 Å²	60.3	75%	0.747	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-50.3	145.8	174.8	-26.7	35.4	0	0	0	112.5	N163 K164	P161-N163 PolarHBondContact O-N 2.87Å; P161-N163 VanDerWaalsContact O-N 3.13Å; P161-K164 PolarHBondContact O-N 3.02Å
162	N	94.6	Very high	98	Very high	145 Å²	145	61.3 Å²	61.3	78%	0.775	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	58.3	19.3	-177.1	-57.3	-29.9	0	0	0	115	K164	N162-K164 PolarHBondContact O-N 3.02Å
163	N	98	Very high	98	Very high	63 Å²	63	61.6 Å²	61.6	34%	0.337	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	62.8	24.7	-177	-48.7	-74.8	0	0	0	113.4	R67 V68 I69 G160 P161	R67-N163 HydrophobicContact CG-CB 4.21Å; V68-N163 PolarHBondContact N-O 3.12Å; V68-N163 WeakPolarHBondContact O-CB 3.42Å; I69-N163 HydrophobicContact CD1-CB 4.44Å; I69-N163 HydrophobicContact CG1-CB 3.79Å; G160-N163 PolarHBondContact O-N 3.29Å; G160-N163 VanDerWaalsContact O-N 3.16Å; P161-N163 PolarHBondContact O-N 2.87Å; P161-N163 VanDerWaalsContact O-N 3.13Å
164	K	98	Very high	98	Very high	118 Å²	118	57.3 Å²	57.3	51%	0.513	32%	0.319	S	S	.	.			trans	-75.6	131.1	175.8	-175.3	169.4	-178.1	169.4	0	110.1	H66 T159 G160 P161 N162 K166	H66-K164 WeakPolarHBondContact O-CA 3.47Å; T159-K164 CarbonylContact C-O 3.44Å; T159-K164 WeakPolarHBondContact CA-O 3.29Å; G160-K164 PolarHBondContact N-O 3.37Å; P161-K164 PolarHBondContact O-N 3.02Å; N162-K164 PolarHBondContact O-N 3.02Å; K164-K166 PolarHBondContact O-N 3.06Å
165	P	98.3	Very high	98	Very high	14 Å²	14	57.8 Å²	57.8	9%	0.091	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-54.7	136.8	173.2	-30.2	38.9	0	0	0	112.8	F65 V68 V157 L167 V169	F65-P165 WeakPolarHBondContact O-CG 3.5Å; V68-P165 HydrophobicContact CB-CG 4.11Å; V68-P165 HydrophobicContact CG2-CG 3.59Å; V157-P165 HydrophobicContact CG2-CB 3.86Å; V157-P165 HydrophobicContact CG2-CG 4.05Å; P165-L167 WeakPolarHBondContact CB-O 3.11Å; P165-V169 HydrophobicContact CB-CG2 4.03Å; P165-V169 HydrophobicContact CG-CG2 4.15Å
166	K	98.1	Very high	98	Very high	149 Å²	149	61.3 Å²	61.3	65%	0.648	34%	0.34	S	S	*	.	S	Bend	trans	-70.3	-34.7	175.9	-67.3	-171.9	-172.4	-178	0	112.1	P158 T159 K164	P158-K166 HydrophobicContact CB-CD 4.04Å; P158-K166 HydrophobicContact CB-CG 4.38Å; P158-K166 PolarHBondContact O-N 3.43Å; T159-K166 WeakPolarHBondContact O-CE 3.27Å; K164-K166 PolarHBondContact O-N 3.06Å
167	L	97.7	Very high	97.7	Very high	94 Å²	94	64 Å²	64	49%	0.492	35%	0.352	S	S	.	.	S	Bend	trans	-101.3	136.3	170.3	-64.7	177.1	0	0	0	108.5	I19 P165 V169	I19-L167 HydrophobicContact CG2-CB 4.2Å; I19-L167 HydrophobicContact CG2-CD1 4.46Å; P165-L167 WeakPolarHBondContact CB-O 3.11Å; L167-V169 PolarHBondContact O-N 3.5Å
168	P	97.8	Very high	97.7	Very high	79 Å²	79	66.5 Å²	66.5	51%	0.513	37%	0.365	S	S	.	.			trans	-57	128.3	175.9	-24.3	33.7	0	0	0	111.1	I19 G20 V170	I19-P168 CarbonylContact C-O 3.51Å; I19-P168 WeakPolarHBondContact CA-O 3.13Å; G20-P168 PolarHBondContact N-O 3.45Å; P168-V170 HydrophobicContact CB-CG2 4.02Å
169	V	98.7	Very high	97.6	Very high	1 Å²	1	65.7 Å²	65.7	1%	0.006	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	109.1	169.4	-176.2	0	0	0	0	106.8	V17 S18 I19 T64 F65 I154 V157 P165 L167	V17-V169 HydrophobicContact CG1-CG1 3.75Å; S18-V169 CarbonylContact O-C 3.54Å; S18-V169 WeakPolarHBondContact O-CA 3.35Å; I19-V169 HydrophobicContact CG1-CG1 4.29Å; I19-V169 HydrophobicContact CG1-CG2 4.28Å; I19-V169 HydrophobicContact CG2-CG2 4.49Å; T64-V169 CarbonylContact C-O 3.47Å; T64-V169 WeakPolarHBondContact CA-O 3.2Å; T64-V169 WeakPolarHBondContact CB-O 3.48Å; F65-V169 HydrophobicContact CB-CB 4.12Å; F65-V169 HydrophobicContact CB-CG1 4.13Å; F65-V169 HydrophobicContact CD2-CB 4.33Å; F65-V169 HydrophobicContact CD2-CG1 3.57Å; F65-V169 HydrophobicContact CE2-CG1 4.38Å; F65-V169 HydrophobicContact CG-CG1 4.18Å; F65-V169 PolarHBondContact N-O 2.87Å; I154-V169 HydrophobicContact CB-CG1 4.41Å; I154-V169 HydrophobicContact CD1-CG1 4.2Å; I154-V169 HydrophobicContact CG1-CG1 3.84Å; I154-V169 HydrophobicContact CG2-CG1 3.79Å; I154-V169 HydrophobicContact CG2-CG2 4.37Å; V157-V169 HydrophobicContact CG1-CG2 4.22Å; V157-V169 HydrophobicContact CG2-CG2 4.3Å; P165-V169 HydrophobicContact CB-CG2 4.03Å; P165-V169 HydrophobicContact CG-CG2 4.15Å; L167-V169 PolarHBondContact O-N 3.5Å
170	V	98.8	Very high	97.6	Very high	33 Å²	33	66.4 Å²	66.4	20%	0.2	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	138.1	-168.1	-174.9	0	0	0	0	109.9	V17 S18 T64 P168 S172	V17-V170 WeakPolarHBondContact CA-O 3.17Å; S18-V170 PolarHBondContact N-O 2.55Å; S18-V170 PolarHBondContact O-N 3.07Å; T64-V170 HydrophobicContact CG2-CG2 4.16Å; P168-V170 HydrophobicContact CB-CG2 4.02Å; V170-S172 PolarHBondContact O-N 3.16Å
171	I	98.8	Very high	97.6	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	93.9	165.1	-59.5	173.1	0	0	0	106.8	F15 D16 Y60 G62 S63 F65 F124 Q173 C174	F15-I171 HydrophobicContact CB-CG2 4.15Å; F15-I171 HydrophobicContact CD1-CD1 4.2Å; F15-I171 HydrophobicContact CD1-CG2 3.62Å; F15-I171 HydrophobicContact CD2-CD1 4.11Å; F15-I171 HydrophobicContact CE1-CD1 4.09Å; F15-I171 HydrophobicContact CE1-CG2 4.2Å; F15-I171 HydrophobicContact CE2-CD1 4Å; F15-I171 HydrophobicContact CG-CD1 4.22Å; F15-I171 HydrophobicContact CG-CG1 4.39Å; F15-I171 HydrophobicContact CG-CG2 4.01Å; F15-I171 HydrophobicContact CZ-CD1 3.97Å; D16-I171 CarbonylContact O-C 3.35Å; D16-I171 WeakPolarHBondContact O-CA 3.42Å; Y60-I171 WeakPolarHBondContact O-CB 3.2Å; G62-I171 PolarHBondContact N-O 3.38Å; S63-I171 PolarHBondContact O-N 3.11Å; F65-I171 HydrophobicContact CD2-CG1 4.41Å; F65-I171 HydrophobicContact CE2-CD1 4.18Å; F65-I171 HydrophobicContact CE2-CG1 3.73Å; F65-I171 HydrophobicContact CZ-CD1 4.36Å; F65-I171 HydrophobicContact CZ-CG1 4.34Å; F124-I171 HydrophobicContact CE1-CD1 4.49Å; F124-I171 HydrophobicContact CZ-CD1 4.12Å; I171-Q173 WeakPolarHBondContact CG2-O 3.24Å; I171-C174 HydrophobicContact CG2-CB 3.88Å
172	S	98.5	Very high	97.7	Very high	21 Å²	21	65.9 Å²	65.9	15%	0.147	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	-36.6	-173	56.9	0	0	0	0	111.9	D16 E23 V170	D16-S172 PolarHBondContact O-N 3.23Å; D16-S172 PolarHBondContact O-OG 2.91Å; E23-S172 WeakPolarHBondContact OE1-CB 3.45Å; E23-S172 PolarHBondContact OE1-OG 3.24Å; E23-S172 PolarHBondContact OE2-OG 3.35Å; E23-S172 VanDerWaalsContact OE2-OG 3.09Å; V170-S172 PolarHBondContact O-N 3.16Å
173	Q	98.5	Very high	97.9	Very high	84 Å²	84	60.6 Å²	60.6	39%	0.393	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	154.3	169.4	-58.4	-65	-41.2	0	0	110.4	F14 D16 K61 I171	F14-Q173 HydrophobicContact CE2-CB 4.38Å; D16-Q173 HydrophobicContact CB-CB 4Å; D16-Q173 PolarHBondContact N-O 3.3Å; K61-Q173 VanDerWaalsContact CE-OE1 3.23Å; I171-Q173 WeakPolarHBondContact CG2-O 3.24Å
174	C	98.6	Very high	97.9	Very high	20 Å²	20	60.4 Å²	60.4	14%	0.135	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	161.4	173.4	60.4	0	0	0	0	110.5	F14 F15 C47 K61 I171	F14-C174 WeakPolarHBondContact O-CA 3.02Å; F14-C174 WeakPolarHBondContact O-CB 3.47Å; F15-C174 HydrophobicContact CD1-CB 3.52Å; F15-C174 HydrophobicContact CE1-CB 3.82Å; C47-C174 CarbonylContact O-C 3.33Å; C47-C174 VanDerWaalsContact O-C 3.27Å; C47-C174 PolarHBondContact O-SG 2.97Å; K61-C174 PolarHBondContact N-SG 2.77Å; I171-C174 HydrophobicContact CG2-CB 3.88Å
175	G	98.4	Very high	97.9	Very high	9 Å²	9	56 Å²	56	9%	0.093	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.1	-170.5	179.4	0	0	0	0	0	112	V13 F14 C47	V13-G175 CarbonylContact C-O 2.9Å; V13-G175 WeakPolarHBondContact CA-O 3.45Å; V13-G175 VanDerWaalsContact CB-O 3.27Å; V13-G175 WeakPolarHBondContact CB-O 3.35Å; F14-G175 WeakPolarHBondContact CD1-O 3.38Å; F14-G175 PolarHBondContact N-O 2.86Å; F14-G175 PolarHBondContact O-N 2.71Å; C47-G175 WeakPolarHBondContact O-CA 3.49Å; C47-G175 PolarHBondContact O-N 3.4Å
176	E	97.6	Very high	97.8	Very high	80 Å²	80	59.5 Å²	59.5	37%	0.374	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	152.8	172.4	-172.9	169.2	-168.5	0	0	109.9	V13 R44 T48	V13-E176 HydrophobicContact CG1-CB 4.43Å; R44-E176 WeakPolarHBondContact CD-OE2 3.49Å; R44-E176 IonicContact CZ-OE2 3.48Å; R44-E176 IonicContact NE-OE2 2.79Å; R44-E176 IonicContact NH1-OE2 3.66Å; R44-E176 PolarHBondContact NH1-OE2 2.97Å; T48-E176 HydrophobicContact CG2-CB 3.69Å
177	M	92.4	Very high	97.8	Very high	144 Å²	144	51.4 Å²	51.4	71%	0.709	28%	0.278	S	S	*	.			trans	-103.3	0	-177.7	-68.7	-159.8	64.6	0	0	113.2	V12 F14 K28	V12-M177 HydrophobicContact CB-CB 4.29Å; V12-M177 HydrophobicContact CG1-CB 4.18Å; V12-M177 HydrophobicContact CG1-CG 4.18Å; V12-M177 HydrophobicContact CG1-SD 4.02Å; V12-M177 PolarHBondContact O-N 3.19Å; F14-M177 HydrophobicContact CB-CG 4.43Å; F14-M177 HydrophobicContact CB-SD 4.5Å; F14-M177 HydrophobicContact CD1-CG 3.89Å; K28-M177 HydrophobicContact CB-SD 4.42Å; K28-M177 HydrophobicContact CD-CE 4.23Å; K28-M177 HydrophobicContact CD-SD 3.56Å; K28-M177 VanDerWaalsContact CD-SD 3.56Å; K28-M177 HydrophobicContact CG-SD 3.73Å

Retrieved 177 of 177 residues in 41.3 ms (Link to these results)

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