A0A087XAJ9_POEFO Loading...

Vesicle-associated membrane protein-associated protein A

Endoplasmic reticulum (ER)-anchored protein that mediates the formation of contact sites between the ER and endosomes via interaction with FFAT motif-containing proteins such as STARD3 or WDR44. STARD3-VAPA interaction enables cholesterol transfer from the ER to endosomes. Via interaction with WDR44 participates in neosynthesized protein export. In addition, recruited to the plasma membrane through OSBPL3 binding. The OSBPL3-VAPA complex stimulates RRAS signaling which in turn attenuates integrin beta-1 (ITGB1) activation at the cell surface. With OSBPL3, may regulate ER morphology. May play a role in vesicle trafficking.

AlphaFold DB , UniProt , Accession A0A087XAJ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 242 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	44.7	Very low	80.4	Confident	220 Å²	220	89.2 Å²	89.2	100%	1.084	47%	0.471	S	S	*	.				0	128.1	0	-61.8	-153.4	-137.8	0	0	108
2	S	56.2	Low	81.5	Confident	120 Å²	120	84.6 Å²	84.6	84%	0.839	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-70.7	133	177.4	33.3	0	0	0	0	109.7
3	K	64.6	Low	82.1	Confident	129 Å²	129	84.5 Å²	84.5	56%	0.561	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-61.9	148.1	170	-82.5	-173.1	172.3	-171.1	0	109.4	D117	K3-D117 IonicContact NZ-OD2 2.83Å; K3-D117 PolarHBondContact NZ-OD2 2.78Å
4	L	75.6	Confident	82.6	Confident	81 Å²	81	82.9 Å²	82.9	42%	0.424	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-63.2	139	171.9	-67.5	172.3	0	0	0	110.3	E113 M116	L4-E113 WeakPolarHBondContact CD1-O 3.45Å; L4-E113 WeakPolarHBondContact CG-O 3.33Å; L4-M116 HydrophobicContact CB-CE 3.75Å; L4-M116 HydrophobicContact CB-CG 3.61Å; L4-M116 HydrophobicContact CD1-CE 3.79Å; L4-M116 HydrophobicContact CG-CE 4.33Å
5	D	83.9	Confident	83.2	Confident	149 Å²	149	79.8 Å²	79.8	80%	0.797	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-66.1	145.8	173.2	-77.9	-26.3	0	0	0	110.5	V7 M116	D5-V7 PolarHBondContact O-N 3.21Å; D5-M116 WeakPolarHBondContact O-CG 3.45Å
6	Q	88.9	Confident	83.7	Confident	47 Å²	47	75 Å²	75	22%	0.22	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-65.4	122.4	-178.7	177	60.9	-92.8	0	0	110.7	L8 L10 V91 T93	Q6-L8 HydrophobicContact CG-CB 4.49Å; Q6-L8 WeakPolarHBondContact CG-O 3.37Å; Q6-L8 VanDerWaalsContact OE1-N 3.08Å; Q6-L10 HydrophobicContact CG-CD1 4.12Å; Q6-V91 PolarHBondContact NE2-O 2.85Å; Q6-T93 PolarHBondContact NE2-OG1 2.92Å; Q6-T93 PolarHBondContact OE1-OG1 3.28Å
7	V	92.5	Very high	84	Confident	30 Å²	30	78.2 Å²	78.2	18%	0.182	42%	0.416	C	S	.	.			trans	-77.5	-32.9	176.7	66.4	0	0	0	0	112.9	D5 P36 V41 F95 M116	D5-V7 PolarHBondContact O-N 3.21Å; V7-P36 WeakPolarHBondContact O-CD 3.26Å; V7-P36 VanDerWaalsContact O-CG 3.27Å; V7-P36 WeakPolarHBondContact O-CG 3.31Å; V7-V41 HydrophobicContact CG1-CG1 4.09Å; V7-V41 HydrophobicContact CG1-CG2 3.92Å; V7-F95 HydrophobicContact CB-CZ 4.11Å; V7-F95 HydrophobicContact CG1-CE1 4.26Å; V7-F95 HydrophobicContact CG1-CZ 4.18Å; V7-F95 HydrophobicContact CG2-CE1 4.14Å; V7-F95 HydrophobicContact CG2-CZ 3.86Å; V7-M116 HydrophobicContact CB-SD 4.09Å; V7-M116 HydrophobicContact CG1-SD 3.8Å
8	L	94.2	Very high	84.2	Confident	7 Å²	7	73.8 Å²	73.8	4%	0.037	39%	0.393	C	S	.	.	S	Bend	trans	-76.2	137.1	-178.7	-63.4	-170.1	0	0	0	111.1	Q6 L10 L33 K34 N35 V41 F43 I62 T93	Q6-L8 HydrophobicContact CG-CB 4.49Å; Q6-L8 WeakPolarHBondContact CG-O 3.37Å; Q6-L8 VanDerWaalsContact OE1-N 3.08Å; L8-L10 HydrophobicContact CB-CD1 4.17Å; L8-L10 VanDerWaalsContact O-CD1 3.23Å; L8-L10 WeakPolarHBondContact O-CD1 3.44Å; L8-L33 HydrophobicContact CD1-CB 4.3Å; L8-L33 HydrophobicContact CD1-CD1 4.1Å; L8-K34 WeakPolarHBondContact CA-O 3.48Å; L8-N35 HydrophobicContact CD2-CB 3.75Å; L8-V41 HydrophobicContact CD1-CG1 4.13Å; L8-V41 HydrophobicContact CD2-CB 4.01Å; L8-V41 HydrophobicContact CD2-CG1 3.87Å; L8-V41 HydrophobicContact CD2-CG2 4.27Å; L8-V41 HydrophobicContact CG-CG1 3.96Å; L8-F43 HydrophobicContact CD1-CB 4.23Å; L8-I62 HydrophobicContact CD1-CD1 3.82Å; L8-I62 HydrophobicContact CD2-CD1 4.4Å; L8-T93 HydrophobicContact CD1-CG2 3.38Å; L8-T93 HydrophobicContact CG-CG2 3.86Å
9	I	94.6	Very high	83.8	Confident	92 Å²	92	77.7 Å²	77.7	47%	0.472	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	120.1	170.9	-60	170.1	0	0	0	107.6	K34 P36	I9-K34 HydrophobicContact CB-CB 4.3Å; I9-K34 PolarHBondContact N-O 3.48Å; I9-K34 PolarHBondContact O-N 2.93Å; I9-P36 HydrophobicContact CD1-CB 4.09Å; I9-P36 HydrophobicContact CD1-CG 4.01Å; I9-P36 HydrophobicContact CG1-CG 4.13Å
10	L	95.2	Very high	82.8	Confident	12 Å²	12	75.9 Å²	75.9	6%	0.063	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	131.6	177.9	-77.4	72.1	0	0	0	109.8	Q6 L8 P12 P13 L31 K32 L33 V91 S118 L120	Q6-L10 HydrophobicContact CG-CD1 4.12Å; L8-L10 HydrophobicContact CB-CD1 4.17Å; L8-L10 VanDerWaalsContact O-CD1 3.23Å; L8-L10 WeakPolarHBondContact O-CD1 3.44Å; L10-P12 CarbonylContact O-C 3.55Å; L10-P13 VanDerWaalsContact O-CA 3.3Å; L10-P13 WeakPolarHBondContact O-CA 3.33Å; L10-L31 HydrophobicContact CB-CD1 4.37Å; L10-L31 HydrophobicContact CD2-CD1 4.47Å; L10-K32 WeakPolarHBondContact CA-O 3.4Å; L10-L33 HydrophobicContact CB-CD2 4.49Å; L10-L33 HydrophobicContact CD1-CD2 4.08Å; L10-L33 HydrophobicContact CD2-CD2 4.28Å; L10-L33 HydrophobicContact CG-CD2 3.57Å; L10-V91 HydrophobicContact CD2-CB 4.14Å; L10-V91 HydrophobicContact CD2-CG2 3.85Å; L10-S118 WeakPolarHBondContact CD2-OG 3.27Å; L10-L120 HydrophobicContact CD2-CD1 3.7Å; L10-L120 HydrophobicContact CD2-CD2 4.09Å; L10-L120 HydrophobicContact CD2-CG 4.13Å
11	D	94	Very high	81.9	Confident	94 Å²	94	73.5 Å²	73.5	50%	0.503	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	107.4	171.6	177.5	26.6	0	0	0	109.6	K32	D11-K32 HydrophobicContact CB-CB 4.27Å; D11-K32 PolarHBondContact N-O 3.43Å; D11-K32 PolarHBondContact O-N 3.01Å
12	P	93.8	Very high	82.8	Confident	34 Å²	34	67.2 Å²	67.2	22%	0.221	37%	0.372	C	S	.	.	S	Bend	cis	-73.9	153.2	3.5	30.4	-35.6	0	0	0	113.4	L10 D15 L16 L120	L10-P12 CarbonylContact O-C 3.55Å; P12-D15 WeakPolarHBondContact CB-O 3.23Å; P12-D15 WeakPolarHBondContact CG-O 3.46Å; P12-L16 HydrophobicContact CG-CD1 4.03Å; P12-L120 WeakPolarHBondContact O-CD2 3.27Å
13	P	88.8	Confident	83.8	Confident	83 Å²	83	61.9 Å²	61.9	54%	0.539	33%	0.333	S	S	.	.	S	Bend	trans	-78.5	-32.9	-172.3	28.1	-34.9	0	0	0	114.5	L10	L10-P13 VanDerWaalsContact O-CA 3.3Å; L10-P13 WeakPolarHBondContact O-CA 3.33Å
14	S	89.1	Confident	84.4	Confident	62 Å²	62	59.4 Å²	59.4	43%	0.434	33%	0.33	S	S	.	.	S	Bend	trans	-128.5	-35.4	-168.6	-58.8	0	0	0	0	114.1	L120 R121	S14-L120 CarbonylContact O-C 3.53Å; S14-L120 WeakPolarHBondContact O-CA 3.22Å; S14-R121 PolarHBondContact O-N 3.22Å
15	D	91.8	Very high	84.7	Confident	37 Å²	37	61.2 Å²	61.2	20%	0.198	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	121.5	-169.5	-63.4	-34.5	0	0	0	110.3	P12 R121 V123	P12-D15 WeakPolarHBondContact CB-O 3.23Å; P12-D15 WeakPolarHBondContact CG-O 3.46Å; D15-R121 CarbonylContact C-O 3.55Å; D15-R121 WeakPolarHBondContact CA-O 3.19Å; D15-R121 WeakPolarHBondContact OD1-CB 3.45Å; D15-R121 IonicContact OD1-CZ 2.75Å; D15-R121 IonicContact OD1-NE 3.71Å; D15-R121 PolarHBondContact OD1-NE 3.39Å; D15-R121 IonicContact OD1-NH2 3.3Å; D15-R121 PolarHBondContact OD1-NH2 3.1Å; D15-R121 IonicContact OD2-NH2 2.72Å; D15-R121 PolarHBondContact OD2-NH2 3.49Å; D15-V123 HydrophobicContact CB-CG2 4.15Å
16	L	91.1	Very high	84.9	Confident	3 Å²	3	57.6 Å²	57.6	2%	0.016	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	108.8	173.7	-166.7	68.6	0	0	0	108.6	P12 F18 A29 L31 V72 F89 R121 C122 V123	P12-L16 HydrophobicContact CG-CD1 4.03Å; L16-F18 HydrophobicContact CB-CE2 4.37Å; L16-F18 HydrophobicContact CD2-CE2 3.92Å; L16-F18 HydrophobicContact CD2-CZ 3.63Å; L16-F18 HydrophobicContact CG-CE2 4.01Å; L16-F18 HydrophobicContact CG-CZ 4.08Å; L16-A29 HydrophobicContact CD1-CB 3.81Å; L16-A29 HydrophobicContact CD2-CB 4.16Å; L16-A29 HydrophobicContact CG-CB 3.76Å; L16-L31 HydrophobicContact CD1-CB 4.28Å; L16-V72 HydrophobicContact CD2-CB 3.82Å; L16-V72 HydrophobicContact CD2-CG1 3.88Å; L16-V72 HydrophobicContact CD2-CG2 3.78Å; L16-F89 HydrophobicContact CD2-CD2 4.24Å; L16-F89 HydrophobicContact CD2-CE2 4.29Å; L16-R121 PolarHBondContact N-O 3.33Å; L16-C122 WeakPolarHBondContact O-CA 3.26Å; L16-V123 PolarHBondContact O-N 3.3Å
17	R	88.9	Confident	84.9	Confident	129 Å²	129	55.8 Å²	55.8	49%	0.487	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	126	-175.7	-67	171.3	-178.2	-121.2	6.4	110.3	K19 V123 E125	R17-K19 HydrophobicContact CB-CG 4.3Å; R17-V123 WeakPolarHBondContact CA-O 3.24Å; R17-V123 HydrophobicContact CG-CB 4.1Å; R17-E125 WeakPolarHBondContact CD-OE1 3.47Å; R17-E125 WeakPolarHBondContact CG-OE1 3.47Å; R17-E125 IonicContact CZ-OE1 2.64Å; R17-E125 IonicContact NE-OE1 3.3Å; R17-E125 IonicContact NH1-OE1 3.67Å; R17-E125 PolarHBondContact NH1-OE1 2.72Å
18	F	87.8	Confident	84.9	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	98.3	173.5	-64.7	-92	0	0	0	107.6	L16 F23 V27 A29 Y53 V72 L74 F89 C122 V123 F124 E125	L16-F18 HydrophobicContact CB-CE2 4.37Å; L16-F18 HydrophobicContact CD2-CE2 3.92Å; L16-F18 HydrophobicContact CD2-CZ 3.63Å; L16-F18 HydrophobicContact CG-CE2 4.01Å; L16-F18 HydrophobicContact CG-CZ 4.08Å; F18-F23 HydrophobicContact CB-CE1 4.38Å; F18-V27 HydrophobicContact CB-CG1 3.99Å; F18-V27 HydrophobicContact CD1-CB 4.45Å; F18-V27 HydrophobicContact CD1-CG1 4.11Å; F18-A29 HydrophobicContact CD1-CB 3.8Å; F18-A29 HydrophobicContact CE1-CB 3.57Å; F18-A29 HydrophobicContact CE2-CB 4.5Å; F18-A29 HydrophobicContact CG-CB 4.37Å; F18-A29 HydrophobicContact CZ-CB 3.95Å; F18-Y53 HydrophobicContact CE1-CE1 4.05Å; F18-Y53 HydrophobicContact CE2-CE1 4.01Å; F18-Y53 HydrophobicContact CZ-CD1 4.22Å; F18-Y53 AromaticContact CZ-CE1 3.56Å; F18-Y53 HydrophobicContact CZ-CE1 3.56Å; F18-V72 HydrophobicContact CE1-CG1 4.08Å; F18-V72 HydrophobicContact CZ-CB 4.37Å; F18-V72 HydrophobicContact CZ-CG1 3.72Å; F18-L74 HydrophobicContact CB-CD2 4.38Å; F18-L74 HydrophobicContact CD1-CB 3.86Å; F18-L74 HydrophobicContact CD1-CD2 4.2Å; F18-L74 HydrophobicContact CE1-CB 3.91Å; F18-L74 HydrophobicContact CG-CD2 4.28Å; F18-F89 HydrophobicContact CZ-CE2 4.49Å; F18-C122 HydrophobicContact CD2-CB 4.49Å; F18-C122 HydrophobicContact CE2-CB 4.09Å; F18-V123 PolarHBondContact N-O 3.18Å; F18-F124 HydrophobicContact CB-CD1 4.12Å; F18-F124 HydrophobicContact CD2-CD1 4.22Å; F18-F124 HydrophobicContact CD2-CE1 4.13Å; F18-F124 HydrophobicContact CG-CD1 4.39Å; F18-F124 HydrophobicContact CG-CE1 4.43Å; F18-E125 PolarHBondContact O-N 2.91Å; F18-E125 VanDerWaalsContact O-N 3.09Å
19	K	77	Confident	84.8	Confident	148 Å²	148	57.9 Å²	57.9	64%	0.643	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.4	82.3	-177.6	-57	-169	-178.6	-164.5	0	109.3	R17 E125	R17-K19 HydrophobicContact CB-CG 4.3Å; K19-E125 WeakPolarHBondContact CE-OE2 3.34Å; K19-E125 HydrophobicContact CG-CB 4.41Å; K19-E125 WeakPolarHBondContact CG-OE2 3.3Å; K19-E125 IonicContact NZ-OE2 2.68Å
20	A	64.2	Low	84.7	Confident	41 Å²	41	58 Å²	58	34%	0.339	33%	0.33	S	S	.	.			trans	-168.3	121.1	166.7	0	0	0	0	0	107.6	F23 V27	A20-F23 WeakPolarHBondContact O-CE1 3.28Å; A20-V27 HydrophobicContact CB-CB 4.31Å; A20-V27 HydrophobicContact CB-CG1 3.7Å; A20-V27 HydrophobicContact CB-CG2 3.72Å
21	G	62.8	Low	84.7	Confident	26 Å²	26	57.5 Å²	57.5	27%	0.268	33%	0.328	S	S	.	.	S	Bend	trans	-97.3	173.9	165.3	0	0	0	0	0	110.3	P127	G21-P127 VanDerWaalsContact N-CD 3.28Å
22	P	64.3	Low	84.8	Confident	88 Å²	88	57.5 Å²	57.5	57%	0.571	32%	0.323	S	S	*	.			cis	-57.1	151.8	-43.3	23.6	-29	0	0	0	111.2	T24	P22-T24 HydrophobicContact CB-CG2 4.03Å; P22-T24 HydrophobicContact CG-CG2 4.36Å; P22-T24 WeakPolarHBondContact CG-OG1 3.49Å; P22-T24 PolarHBondContact O-N 3.02Å
23	F	76	Confident	85	Confident	7 Å²	7	55.9 Å²	55.9	3%	0.031	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	26.3	175.6	-59.2	-71.4	0	0	0	113.4	F18 A20 D25 V27 L74 P76 F77 Y79 F124 L126	F18-F23 HydrophobicContact CB-CE1 4.38Å; A20-F23 WeakPolarHBondContact O-CE1 3.28Å; F23-D25 VanDerWaalsContact C-N 3.33Å; F23-V27 HydrophobicContact CD1-CG2 4.06Å; F23-V27 HydrophobicContact CE1-CG2 4.5Å; F23-L74 HydrophobicContact CD1-CD2 3.58Å; F23-L74 HydrophobicContact CE1-CD2 3.93Å; F23-P76 CarbonylContact O-C 3.59Å; F23-P76 VanDerWaalsContact O-CA 3.26Å; F23-P76 WeakPolarHBondContact O-CA 3.49Å; F23-F77 HydrophobicContact CB-CD1 4.29Å; F23-F77 HydrophobicContact CB-CE1 4.11Å; F23-F77 HydrophobicContact CG-CE1 4.32Å; F23-F77 PolarHBondContact O-N 3.06Å; F23-F77 VanDerWaalsContact O-O 3.1Å; F23-Y79 HydrophobicContact CD2-CD1 4.16Å; F23-Y79 AromaticContact CD2-CD2 3.62Å; F23-Y79 HydrophobicContact CD2-CD2 3.62Å; F23-Y79 HydrophobicContact CD2-CE2 4.45Å; F23-Y79 AromaticContact CD2-CG 3.44Å; F23-Y79 HydrophobicContact CD2-CG 3.44Å; F23-Y79 VanDerWaalsContact CD2-CG 3.44Å; F23-Y79 HydrophobicContact CE2-CD1 4.13Å; F23-Y79 AromaticContact CE2-CD2 3.58Å; F23-Y79 HydrophobicContact CE2-CD2 3.58Å; F23-Y79 HydrophobicContact CE2-CE1 4.49Å; F23-Y79 AromaticContact CE2-CE2 3.96Å; F23-Y79 HydrophobicContact CE2-CE2 3.96Å; F23-Y79 AromaticContact CE2-CG 3.67Å; F23-Y79 HydrophobicContact CE2-CG 3.67Å; F23-F124 HydrophobicContact CE1-CB 4.4Å; F23-F124 AromaticContact CE1-CD1 3.94Å; F23-F124 HydrophobicContact CE1-CD1 3.94Å; F23-F124 HydrophobicContact CE2-CB 4.09Å; F23-F124 HydrophobicContact CZ-CB 3.61Å; F23-F124 AromaticContact CZ-CD1 3.97Å; F23-F124 HydrophobicContact CZ-CD1 3.97Å; F23-F124 HydrophobicContact CZ-CG 4.17Å; F23-L126 HydrophobicContact CE2-CD1 3.86Å; F23-L126 HydrophobicContact CE2-CD2 4.45Å; F23-L126 HydrophobicContact CE2-CG 3.81Å
24	T	77.8	Confident	85.3	Confident	78 Å²	78	56.8 Å²	56.8	48%	0.479	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-14.7	173.9	55.1	0	0	0	0	112.4	P22 P76	P22-T24 HydrophobicContact CB-CG2 4.03Å; P22-T24 HydrophobicContact CG-CG2 4.36Å; P22-T24 WeakPolarHBondContact CG-OG1 3.49Å; P22-T24 PolarHBondContact O-N 3.02Å; T24-P76 VanDerWaalsContact O-CB 3.29Å; T24-P76 WeakPolarHBondContact O-CB 3.23Å; T24-P76 WeakPolarHBondContact O-CG 3.39Å
25	D	82.6	Confident	85.7	Confident	118 Å²	118	53.9 Å²	53.9	63%	0.631	29%	0.288	S	S	*	.	S	Bend	trans	-119.2	166.1	175.2	-73.4	-44.6	0	0	0	111.4	F23 V27	F23-D25 VanDerWaalsContact C-N 3.33Å; D25-V27 PolarHBondContact O-N 2.94Å
26	V	87.6	Confident	85.8	Confident	74 Å²	74	55.3 Å²	55.3	45%	0.448	30%	0.299	S	S	.	.			trans	-67.8	121.3	179.6	178	0	0	0	0	109.9	M73 L74 P76	V26-M73 HydrophobicContact CG1-CB 3.92Å; V26-M73 HydrophobicContact CG1-CG 4.36Å; V26-L74 WeakPolarHBondContact CA-O 3.34Å; V26-P76 HydrophobicContact CG2-CG 4.3Å
27	V	89.6	Confident	85.9	Confident	9 Å²	9	56.1 Å²	56.1	6%	0.055	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	125.5	176.7	-175.2	0	0	0	0	109.9	F18 A20 F23 D25 M73 L74	F18-V27 HydrophobicContact CB-CG1 3.99Å; F18-V27 HydrophobicContact CD1-CB 4.45Å; F18-V27 HydrophobicContact CD1-CG1 4.11Å; A20-V27 HydrophobicContact CB-CB 4.31Å; A20-V27 HydrophobicContact CB-CG1 3.7Å; A20-V27 HydrophobicContact CB-CG2 3.72Å; F23-V27 HydrophobicContact CD1-CG2 4.06Å; F23-V27 HydrophobicContact CE1-CG2 4.5Å; D25-V27 PolarHBondContact O-N 2.94Å; V27-M73 CarbonylContact O-C 3.49Å; V27-M73 WeakPolarHBondContact O-CA 3.38Å; V27-L74 HydrophobicContact CB-CB 4.3Å; V27-L74 HydrophobicContact CB-CD2 4.34Å; V27-L74 PolarHBondContact N-O 3.41Å; V27-L74 VanDerWaalsContact N-O 3.09Å; V27-L74 WeakPolarHBondContact O-CB 3.49Å; V27-L74 PolarHBondContact O-N 3.31Å
28	T	91.1	Very high	86.1	Confident	73 Å²	73	57.4 Å²	57.4	45%	0.448	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	125.8	-179.3	-54.4	0	0	0	0	111.2	V72 M73	T28-V72 WeakPolarHBondContact CA-O 3.3Å; T28-M73 HydrophobicContact CG2-CG 4.04Å
29	A	92.3	Very high	86.2	Confident	7 Å²	7	63.2 Å²	63.2	6%	0.058	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	143.2	167.3	0	0	0	0	0	109.7	L16 F18 V72	L16-A29 HydrophobicContact CD1-CB 3.81Å; L16-A29 HydrophobicContact CD2-CB 4.16Å; L16-A29 HydrophobicContact CG-CB 3.76Å; F18-A29 HydrophobicContact CD1-CB 3.8Å; F18-A29 HydrophobicContact CE1-CB 3.57Å; F18-A29 HydrophobicContact CE2-CB 4.5Å; F18-A29 HydrophobicContact CG-CB 4.37Å; F18-A29 HydrophobicContact CZ-CB 3.95Å; A29-V72 PolarHBondContact N-O 3.4Å; A29-V72 PolarHBondContact O-N 3.05Å
30	N	93.6	Very high	87	Confident	95 Å²	95	61.8 Å²	61.8	51%	0.508	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	132.9	178.9	-66.9	-58.6	0	0	0	110.3	I70 S71	N30-I70 WeakPolarHBondContact CA-O 3.46Å; N30-S71 PolarHBondContact OD1-OG 3.44Å
31	L	95.4	Very high	88.4	Confident	2 Å²	2	59.9 Å²	59.9	1%	0.01	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	118.9	172.7	171.7	63.9	0	0	0	108.2	L10 L16 L33 I70 V91 L120	L10-L31 HydrophobicContact CB-CD1 4.37Å; L10-L31 HydrophobicContact CD2-CD1 4.47Å; L16-L31 HydrophobicContact CD1-CB 4.28Å; L31-L33 HydrophobicContact CD1-CD2 4.37Å; L31-L33 HydrophobicContact CD2-CD2 4.25Å; L31-L33 HydrophobicContact CG-CD2 4.11Å; L31-I70 HydrophobicContact CB-CB 4.3Å; L31-I70 PolarHBondContact N-O 3.13Å; L31-I70 WeakPolarHBondContact O-CA 3.36Å; L31-I70 WeakPolarHBondContact O-CB 3.36Å; L31-I70 PolarHBondContact O-N 2.92Å; L31-V91 HydrophobicContact CD2-CG2 3.89Å; L31-L120 HydrophobicContact CD1-CD2 3.79Å; L31-L120 HydrophobicContact CD2-CD1 4.49Å; L31-L120 HydrophobicContact CD2-CD2 4.48Å
32	K	96.3	Very high	89.9	Confident	94 Å²	94	58.7 Å²	58.7	41%	0.409	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	132.8	175.2	-54.4	-172	-179.8	165.8	0	109.9	L10 D11 T67 V68 N69	L10-K32 WeakPolarHBondContact CA-O 3.4Å; D11-K32 HydrophobicContact CB-CB 4.27Å; D11-K32 PolarHBondContact N-O 3.43Å; D11-K32 PolarHBondContact O-N 3.01Å; K32-T67 HydrophobicContact CB-CG2 4.4Å; K32-V68 WeakPolarHBondContact CA-O 3.45Å; K32-N69 WeakPolarHBondContact CG-OD1 3.29Å
33	L	96.3	Very high	91.4	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	116.8	172.4	-58.6	-169.9	0	0	0	108.7	L8 L10 L31 F43 I62 T67 V68 I70 V91	L8-L33 HydrophobicContact CD1-CB 4.3Å; L8-L33 HydrophobicContact CD1-CD1 4.1Å; L10-L33 HydrophobicContact CB-CD2 4.49Å; L10-L33 HydrophobicContact CD1-CD2 4.08Å; L10-L33 HydrophobicContact CD2-CD2 4.28Å; L10-L33 HydrophobicContact CG-CD2 3.57Å; L31-L33 HydrophobicContact CD1-CD2 4.37Å; L31-L33 HydrophobicContact CD2-CD2 4.25Å; L31-L33 HydrophobicContact CG-CD2 4.11Å; L33-F43 HydrophobicContact CD1-CB 4.08Å; L33-F43 HydrophobicContact CD1-CD1 4.38Å; L33-F43 HydrophobicContact CD1-CD2 3.75Å; L33-F43 HydrophobicContact CD1-CE2 4.3Å; L33-F43 HydrophobicContact CD1-CG 3.8Å; L33-I62 HydrophobicContact CB-CD1 3.6Å; L33-I62 HydrophobicContact CD1-CD1 4.2Å; L33-T67 CarbonylContact O-C 3.53Å; L33-T67 VanDerWaalsContact O-CA 3.3Å; L33-T67 WeakPolarHBondContact O-CA 3.26Å; L33-V68 PolarHBondContact N-O 3.01Å; L33-V68 PolarHBondContact O-N 2.91Å; L33-I70 HydrophobicContact CD1-CD1 3.4Å; L33-I70 VanDerWaalsContact CD1-CD1 3.4Å; L33-I70 HydrophobicContact CG-CD1 3.72Å; L33-V91 HydrophobicContact CD1-CG1 3.89Å; L33-V91 HydrophobicContact CD2-CG1 4.19Å; L33-V91 HydrophobicContact CD2-CG2 4.41Å
34	K	96.4	Very high	92.3	Very high	102 Å²	102	58 Å²	58	44%	0.443	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	133.4	174.7	177.5	175.8	-179.3	-178.7	0	110.1	L8 I9 P36 T67	L8-K34 WeakPolarHBondContact CA-O 3.48Å; I9-K34 HydrophobicContact CB-CB 4.3Å; I9-K34 PolarHBondContact N-O 3.48Å; I9-K34 PolarHBondContact O-N 2.93Å; K34-P36 WeakPolarHBondContact O-CD 3.49Å; K34-T67 HydrophobicContact CB-CG2 4.33Å
35	N	96.4	Very high	93.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.276	C	S	.	.			trans	-96.7	103	173.1	-177.9	9.7	0	0	0	110.2	L8 S37 R39 I62 D63 G65 A66	L8-N35 HydrophobicContact CD2-CB 3.75Å; N35-S37 VanDerWaalsContact C-N 3.27Å; N35-S37 WeakPolarHBondContact OD1-CB 3.39Å; N35-S37 PolarHBondContact OD1-N 3.09Å; N35-S37 PolarHBondContact OD1-OG 3.26Å; N35-R39 PolarHBondContact ND2-O 2.98Å; N35-I62 HydrophobicContact CB-CB 4.18Å; N35-I62 HydrophobicContact CB-CG2 3.59Å; N35-I62 PolarHBondContact ND2-O 3.47Å; N35-D63 WeakPolarHBondContact CB-O 3.39Å; N35-D63 PolarHBondContact ND2-O 2.95Å; N35-D63 VanDerWaalsContact ND2-O 3.08Å; N35-G65 CarbonylContact O-C 3.56Å; N35-G65 WeakPolarHBondContact O-CA 3.49Å; N35-G65 PolarHBondContact O-N 3.34Å; N35-A66 PolarHBondContact N-O 2.82Å
36	P	94.7	Very high	93.7	Very high	67 Å²	67	53.5 Å²	53.5	44%	0.435	26%	0.263	S	S	.	.			trans	-81.1	-5.4	175.8	35.6	-37.7	0	0	0	113.4	V7 I9 K34	V7-P36 WeakPolarHBondContact O-CD 3.26Å; V7-P36 VanDerWaalsContact O-CG 3.27Å; V7-P36 WeakPolarHBondContact O-CG 3.31Å; I9-P36 HydrophobicContact CD1-CB 4.09Å; I9-P36 HydrophobicContact CD1-CG 4.01Å; I9-P36 HydrophobicContact CG1-CG 4.13Å; K34-P36 WeakPolarHBondContact O-CD 3.49Å
37	S	93.1	Very high	94	Very high	20 Å²	20	51.6 Å²	51.6	14%	0.14	25%	0.252	C	S	.	.	S	Bend	trans	-88.3	163.9	-175.5	78.2	0	0	0	0	112.8	N35 R39 P64	N35-S37 VanDerWaalsContact C-N 3.27Å; N35-S37 WeakPolarHBondContact OD1-CB 3.39Å; N35-S37 PolarHBondContact OD1-N 3.09Å; N35-S37 PolarHBondContact OD1-OG 3.26Å; S37-R39 PolarHBondContact O-N 3.34Å; S37-R39 PolarHBondContact OG-N 2.94Å; S37-R39 PolarHBondContact OG-O 3.44Å; S37-R39 VanDerWaalsContact OG-O 3.13Å; S37-P64 VanDerWaalsContact O-CA 3.28Å; S37-P64 WeakPolarHBondContact O-CA 3.22Å; S37-P64 WeakPolarHBondContact O-CB 3.27Å
38	D	92.3	Very high	94.1	Very high	157 Å²	157	55.7 Å²	55.7	84%	0.84	28%	0.277	S	S	*	.	S	Bend	trans	-84	5.6	176.2	-57.7	-42.7	0	0	0	113.4	P64	D38-P64 WeakPolarHBondContact O-CG 3.49Å
39	R	91.4	Very high	94.1	Very high	121 Å²	121	52.8 Å²	52.8	46%	0.457	26%	0.261	S	S	.	.	S	Bend	trans	-118.4	150.6	-177.2	-65.2	177.7	64.9	-165.8	-0.3	110.6	N35 S37 F95	N35-R39 PolarHBondContact ND2-O 2.98Å; S37-R39 PolarHBondContact O-N 3.34Å; S37-R39 PolarHBondContact OG-N 2.94Å; S37-R39 PolarHBondContact OG-O 3.44Å; S37-R39 VanDerWaalsContact OG-O 3.13Å; R39-F95 HydrophobicContact CB-CD1 3.82Å; R39-F95 HydrophobicContact CB-CE1 4.05Å
40	R	92.5	Very high	94	Very high	119 Å²	119	57 Å²	57	45%	0.449	29%	0.287	S	S	.	.			trans	-66.4	135.2	170.9	-68.6	-171.9	-65.5	174.6	1.4	109.9	V61 I62 D63 V96	R40-V61 HydrophobicContact CB-CG1 4Å; R40-I62 WeakPolarHBondContact CA-O 3.46Å; R40-D63 VanDerWaalsContact CD-OD1 3.24Å; R40-D63 WeakPolarHBondContact CD-OD1 3.21Å; R40-D63 WeakPolarHBondContact CG-OD1 3.47Å; R40-V96 HydrophobicContact CB-CB 3.99Å; R40-V96 HydrophobicContact CB-CG2 3.84Å; R40-V96 WeakPolarHBondContact O-CG2 3.43Å; R40-V96 PolarHBondContact O-N 3.33Å
41	V	93.9	Very high	93.8	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	124.1	180	179.7	0	0	0	0	109.3	V7 L8 V61 I62 T93 F95	V7-V41 HydrophobicContact CG1-CG1 4.09Å; V7-V41 HydrophobicContact CG1-CG2 3.92Å; L8-V41 HydrophobicContact CD1-CG1 4.13Å; L8-V41 HydrophobicContact CD2-CB 4.01Å; L8-V41 HydrophobicContact CD2-CG1 3.87Å; L8-V41 HydrophobicContact CD2-CG2 4.27Å; L8-V41 HydrophobicContact CG-CG1 3.96Å; V41-V61 WeakPolarHBondContact O-CA 3.49Å; V41-I62 PolarHBondContact N-O 3.5Å; V41-I62 PolarHBondContact O-N 3.44Å; V41-T93 HydrophobicContact CG1-CG2 4.24Å; V41-F95 HydrophobicContact CG2-CD1 3.75Å; V41-F95 HydrophobicContact CG2-CE1 3.79Å
42	C	94.4	Very high	93.5	Very high	1 Å²	1	66.7 Å²	66.7	1%	0.007	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	140.9	168.5	-76.6	0	0	0	0	109.6	G60 T93 I94 V96 N103 W107	C42-G60 WeakPolarHBondContact CA-O 3.13Å; C42-T93 WeakPolarHBondContact O-CA 3.39Å; C42-T93 WeakPolarHBondContact O-CB 3.3Å; C42-I94 HydrophobicContact CB-CG2 3.74Å; C42-I94 PolarHBondContact N-O 2.87Å; C42-I94 PolarHBondContact O-N 3.07Å; C42-I94 VanDerWaalsContact O-N 3.07Å; C42-V96 HydrophobicContact CB-CG2 4.43Å; C42-V96 WeakPolarHBondContact SG-CG2 3.12Å; C42-N103 PolarHBondContact SG-ND2 3.47Å; C42-W107 HydrophobicContact CB-CZ2 3.91Å
43	F	95.3	Very high	93.4	Very high	2 Å²	2	62.8 Å²	62.8	1%	0.009	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	152.1	171	75.7	-84.9	0	0	0	111.6	L8 L33 V45 P57 S59 G60 I62 V68 I70 Q92 T93	L8-F43 HydrophobicContact CD1-CB 4.23Å; L33-F43 HydrophobicContact CD1-CB 4.08Å; L33-F43 HydrophobicContact CD1-CD1 4.38Å; L33-F43 HydrophobicContact CD1-CD2 3.75Å; L33-F43 HydrophobicContact CD1-CE2 4.3Å; L33-F43 HydrophobicContact CD1-CG 3.8Å; F43-V45 HydrophobicContact CD2-CG2 4.12Å; F43-V45 HydrophobicContact CE2-CG2 4.27Å; F43-P57 HydrophobicContact CZ-CB 4.38Å; F43-P57 HydrophobicContact CZ-CG 3.94Å; F43-S59 VanDerWaalsContact O-CA 3.26Å; F43-S59 WeakPolarHBondContact O-CA 3.17Å; F43-G60 WeakPolarHBondContact CD1-O 3.33Å; F43-G60 PolarHBondContact N-O 2.86Å; F43-G60 PolarHBondContact O-N 3.31Å; F43-G60 VanDerWaalsContact O-N 3.12Å; F43-I62 HydrophobicContact CD1-CD1 3.82Å; F43-I62 HydrophobicContact CD1-CG1 3.63Å; F43-I62 HydrophobicContact CE1-CD1 4.18Å; F43-I62 HydrophobicContact CE1-CG1 3.86Å; F43-V68 HydrophobicContact CE1-CG1 4.4Å; F43-V68 HydrophobicContact CZ-CG1 4.19Å; F43-I70 HydrophobicContact CD2-CD1 3.94Å; F43-I70 HydrophobicContact CE2-CD1 3.47Å; F43-I70 VanDerWaalsContact CE2-CD1 3.47Å; F43-I70 HydrophobicContact CE2-CG1 4.26Å; F43-I70 HydrophobicContact CZ-CD1 4.14Å; F43-Q92 CarbonylContact C-O 3.56Å; F43-Q92 VanDerWaalsContact CA-O 3.32Å; F43-Q92 WeakPolarHBondContact CA-O 3.45Å; F43-T93 HydrophobicContact CB-CG2 3.94Å
44	K	94.8	Very high	93.2	Very high	80 Å²	80	64.6 Å²	64.6	35%	0.348	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	125.3	172.9	-170.7	167.2	-166.5	163.4	0	109.5	Q92 W107	K44-Q92 PolarHBondContact N-O 3.49Å; K44-Q92 PolarHBondContact O-N 3.39Å; K44-W107 HydrophobicContact CB-CH2 3.76Å; K44-W107 HydrophobicContact CB-CZ2 3.59Å
45	V	95.7	Very high	93.2	Very high	16 Å²	16	60.7 Å²	60.7	10%	0.097	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	125	177.7	-173.2	0	0	0	0	109.3	F43 V55 N58 I70 F89	F43-V45 HydrophobicContact CD2-CG2 4.12Å; F43-V45 HydrophobicContact CE2-CG2 4.27Å; V45-V55 HydrophobicContact CB-CG1 4.1Å; V45-V55 HydrophobicContact CG1-CG1 4.03Å; V45-V55 HydrophobicContact CG1-CG2 4.38Å; V45-V55 HydrophobicContact CG2-CG1 4.29Å; V45-N58 PolarHBondContact N-O 3.48Å; V45-I70 HydrophobicContact CG2-CD1 3.81Å; V45-F89 HydrophobicContact CG1-CD1 3.75Å; V45-F89 HydrophobicContact CG1-CE1 4.34Å
46	K	94.5	Very high	93.1	Very high	84 Å²	84	68.6 Å²	68.6	37%	0.365	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	148.2	175.7	-69.2	173.1	172.1	170.4	0	109.2	F89 M90	K46-F89 CarbonylContact O-C 3.58Å; K46-F89 WeakPolarHBondContact O-CA 3.44Å; K46-M90 HydrophobicContact CB-CB 4.39Å; K46-M90 HydrophobicContact CB-CE 4.08Å; K46-M90 HydrophobicContact CD-CE 3.73Å; K46-M90 PolarHBondContact N-O 2.83Å; K46-M90 PolarHBondContact O-N 2.75Å
47	T	93.8	Very high	93.2	Very high	35 Å²	35	67.9 Å²	67.9	22%	0.215	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	152.1	177.7	-178.5	0	0	0	0	110.9	A49 P50 K88 F89	T47-A49 PolarHBondContact O-N 3.46Å; T47-A49 PolarHBondContact OG1-N 2.93Å; T47-P50 HydrophobicContact CG2-CB 4.12Å; T47-K88 WeakPolarHBondContact CA-O 3.4Å; T47-K88 PolarHBondContact OG1-O 3.31Å; T47-F89 HydrophobicContact CG2-CE1 4.24Å
48	T	92.8	Very high	93.2	Very high	95 Å²	95	71.2 Å²	71.2	58%	0.583	34%	0.338	S	S	*	.	S	Bend	trans	-76.3	-9.9	172.7	57.6	0	0	0	0	113.1	K88	T48-K88 HydrophobicContact CG2-CB 4.07Å; T48-K88 PolarHBondContact N-O 3.41Å; T48-K88 VanDerWaalsContact N-O 3.1Å; T48-K88 PolarHBondContact OG1-N 2.8Å; T48-K88 VanDerWaalsContact OG1-N 3.11Å
49	A	90.1	Very high	93.3	Very high	12 Å²	12	66 Å²	66	10%	0.099	31%	0.313	C	S	.	.			trans	-134	62.9	-178.1	0	0	0	0	0	112.6	T47 R51 R52 Y53	T47-A49 PolarHBondContact O-N 3.46Å; T47-A49 PolarHBondContact OG1-N 2.93Å; A49-R51 PolarHBondContact O-N 2.73Å; A49-R52 HydrophobicContact CB-CB 4.3Å; A49-R52 PolarHBondContact O-N 3.03Å; A49-Y53 HydrophobicContact CB-CD2 4.07Å; A49-Y53 HydrophobicContact CB-CE2 3.99Å; A49-Y53 WeakPolarHBondContact O-CD2 3.26Å; A49-Y53 PolarHBondContact O-N 2.8Å
50	P	90.7	Very high	93.4	Very high	94 Å²	94	61.1 Å²	61.1	61%	0.61	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-23.1	-173.5	25.2	-35.3	0	0	0	114.2	T47	T47-P50 HydrophobicContact CG2-CB 4.12Å
51	R	90	Very high	93.4	Very high	239 Å²	239	58.3 Å²	58.3	90%	0.902	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-26.8	175.4	-67.1	-176.3	177.1	-125.2	1	113.5	A49	A49-R51 PolarHBondContact O-N 2.73Å
52	R	88.9	Confident	93.5	Very high	62 Å²	62	58.4 Å²	58.4	23%	0.234	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-11.6	-177.3	-68.1	-160.5	-97.3	-156.1	-4.6	113.1	A49 Q75 E83 S85 H87	A49-R52 HydrophobicContact CB-CB 4.3Å; A49-R52 PolarHBondContact O-N 3.03Å; R52-Q75 PolarHBondContact O-N 3.3Å; R52-E83 IonicContact CZ-OE1 2.81Å; R52-E83 IonicContact NH1-OE1 3.43Å; R52-E83 PolarHBondContact NH1-OE1 2.96Å; R52-E83 IonicContact NH2-OE1 3.46Å; R52-E83 PolarHBondContact NH2-OE1 3.19Å; R52-S85 PolarHBondContact NH2-OG 3.4Å; R52-H87 PolarHBondContact NE-CE1 2.96Å; R52-H87 PolarHBondContact NE-NE2 3.16Å; R52-H87 PolarHBondContact NH2-CE1 3.06Å; R52-H87 PolarHBondContact NH2-NE2 2.98Å
53	Y	93	Very high	93.5	Very high	13 Å²	13	62.5 Å²	62.5	5%	0.051	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	133.6	-174.1	-64.8	-78.8	0	0	0	112.4	F18 A49 V72 M73 L74 H87 F89 C122 F124	F18-Y53 HydrophobicContact CE1-CE1 4.05Å; F18-Y53 HydrophobicContact CE2-CE1 4.01Å; F18-Y53 HydrophobicContact CZ-CD1 4.22Å; F18-Y53 AromaticContact CZ-CE1 3.56Å; F18-Y53 HydrophobicContact CZ-CE1 3.56Å; A49-Y53 HydrophobicContact CB-CD2 4.07Å; A49-Y53 HydrophobicContact CB-CE2 3.99Å; A49-Y53 WeakPolarHBondContact O-CD2 3.26Å; A49-Y53 PolarHBondContact O-N 2.8Å; Y53-V72 HydrophobicContact CD1-CG1 3.91Å; Y53-V72 HydrophobicContact CE1-CG1 4.47Å; Y53-M73 CarbonylContact C-O 3.56Å; Y53-M73 WeakPolarHBondContact CA-O 3.39Å; Y53-L74 HydrophobicContact CD1-CB 4.18Å; Y53-L74 HydrophobicContact CD1-CD1 3.93Å; Y53-L74 HydrophobicContact CE1-CB 4Å; Y53-L74 HydrophobicContact CE1-CD1 3.39Å; Y53-L74 HydrophobicContact CE1-CG 4.26Å; Y53-L74 HydrophobicContact CE2-CD1 4.47Å; Y53-H87 HydrophobicContact CE2-CB 3.83Å; Y53-H87 AromaticContact CE2-CG 3.67Å; Y53-H87 AromaticContact CE2-ND1 3.26Å; Y53-H87 VanDerWaalsContact CE2-ND1 3.26Å; Y53-H87 WeakPolarHBondContact CE2-ND1 3.37Å; Y53-H87 AromaticContact CZ-ND1 3.42Å; Y53-H87 WeakPolarHBondContact OH-CB 3.32Å; Y53-H87 PolarHBondContact OH-ND1 2.87Å; Y53-F89 HydrophobicContact CD1-CE2 4.01Å; Y53-F89 AromaticContact CD1-CZ 3.6Å; Y53-F89 HydrophobicContact CD1-CZ 3.6Å; Y53-F89 HydrophobicContact CD2-CE2 4.2Å; Y53-F89 AromaticContact CD2-CZ 3.79Å; Y53-F89 HydrophobicContact CD2-CZ 3.79Å; Y53-F89 AromaticContact CE1-CE2 3.87Å; Y53-F89 HydrophobicContact CE1-CE2 3.87Å; Y53-F89 AromaticContact CE1-CZ 3.97Å; Y53-F89 HydrophobicContact CE1-CZ 3.97Å; Y53-F89 HydrophobicContact CE2-CE2 4.1Å; Y53-F89 HydrophobicContact CE2-CZ 4.16Å; Y53-F89 HydrophobicContact CG-CE1 4.47Å; Y53-F89 HydrophobicContact CG-CE2 4.16Å; Y53-F89 AromaticContact CG-CZ 3.49Å; Y53-F89 HydrophobicContact CG-CZ 3.49Å; Y53-F89 VanDerWaalsContact CG-CZ 3.49Å; Y53-F89 AromaticContact CZ-CE2 3.92Å; Y53-C122 PolarHBondContact OH-SG 3.08Å; Y53-F124 WeakPolarHBondContact OH-CE1 3.33Å; Y53-F124 WeakPolarHBondContact OH-CZ 3.47Å
54	C	93.6	Very high	93.5	Very high	38 Å²	38	65.3 Å²	65.3	26%	0.257	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	125.6	162.7	-173.1	0	0	0	0	108.5	M73	C54-M73 HydrophobicContact CB-CB 4.2Å; C54-M73 HydrophobicContact CB-CE 3.93Å; C54-M73 PolarHBondContact N-O 3.3Å; C54-M73 PolarHBondContact O-N 3.37Å
55	V	95.9	Very high	93.5	Very high	19 Å²	19	64 Å²	64	12%	0.115	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126.9	179.3	-175.8	0	0	0	0	109.1	V45 N58 I70 S71 V72 F89	V45-V55 HydrophobicContact CB-CG1 4.1Å; V45-V55 HydrophobicContact CG1-CG1 4.03Å; V45-V55 HydrophobicContact CG1-CG2 4.38Å; V45-V55 HydrophobicContact CG2-CG1 4.29Å; V55-N58 HydrophobicContact CB-CB 4.34Å; V55-N58 HydrophobicContact CG1-CB 4.48Å; V55-I70 HydrophobicContact CG1-CG2 3.43Å; V55-I70 VanDerWaalsContact CG1-CG2 3.43Å; V55-S71 WeakPolarHBondContact CA-O 3.5Å; V55-V72 HydrophobicContact CG1-CG2 4.38Å; V55-V72 HydrophobicContact CG2-CG1 4.35Å; V55-V72 HydrophobicContact CG2-CG2 4.46Å; V55-F89 HydrophobicContact CG2-CE1 3.7Å; V55-F89 HydrophobicContact CG2-CZ 4.44Å
56	R	94.6	Very high	93.5	Very high	166 Å²	166	64.8 Å²	64.8	63%	0.626	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.5	127.6	174.7	-70.3	-153.9	-178.7	110	-1	112.2	S71 M73	R56-S71 PolarHBondContact N-O 2.81Å; R56-S71 PolarHBondContact O-N 3.43Å; R56-M73 HydrophobicContact CB-CE 4.17Å; R56-M73 HydrophobicContact CG-CE 3.98Å
57	P	95.6	Very high	93.5	Very high	53 Å²	53	64.2 Å²	64.2	34%	0.344	36%	0.359	S	S	.	.	S	Bend	cis	-65.9	145.8	-17.6	28.8	-35.2	0	0	0	111.9	F43 V68 I70	F43-P57 HydrophobicContact CZ-CB 4.38Å; F43-P57 HydrophobicContact CZ-CG 3.94Å; P57-V68 HydrophobicContact CG-CG1 3.97Å; P57-I70 HydrophobicContact CG-CG1 4.33Å; P57-I70 WeakPolarHBondContact O-CG2 3.44Å
58	N	93.5	Very high	93.6	Very high	90 Å²	90	64.3 Å²	64.3	48%	0.481	36%	0.359	S	S	.	.	S	Bend	trans	-86.7	-24.1	176.5	68.6	61.2	0	0	0	113.2	V45 V55	V45-N58 PolarHBondContact N-O 3.48Å; V55-N58 HydrophobicContact CB-CB 4.34Å; V55-N58 HydrophobicContact CG1-CB 4.48Å
59	S	94.2	Very high	93.8	Very high	46 Å²	46	64.2 Å²	64.2	32%	0.322	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	161.6	174	63.1	0	0	0	0	109.3	F43	F43-S59 VanDerWaalsContact O-CA 3.26Å; F43-S59 WeakPolarHBondContact O-CA 3.17Å
60	G	93.2	Very high	94.1	Very high	20 Å²	20	63.7 Å²	63.7	21%	0.206	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.9	-172.6	176.3	0	0	0	0	0	111.9	C42 F43	C42-G60 WeakPolarHBondContact CA-O 3.13Å; F43-G60 WeakPolarHBondContact CD1-O 3.33Å; F43-G60 PolarHBondContact N-O 2.86Å; F43-G60 PolarHBondContact O-N 3.31Å; F43-G60 VanDerWaalsContact O-N 3.12Å
61	V	93.7	Very high	94.3	Very high	60 Å²	60	61.1 Å²	61.1	36%	0.364	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	138.3	174.6	-172.8	0	0	0	0	107.8	R40 V41 V96	R40-V61 HydrophobicContact CB-CG1 4Å; V41-V61 WeakPolarHBondContact O-CA 3.49Å; V61-V96 HydrophobicContact CG1-CG2 4.05Å
62	I	95.1	Very high	94.5	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	121.6	175.3	-47.3	-175.7	0	0	0	107.7	L8 L33 N35 R40 V41 F43 A66 V68	L8-I62 HydrophobicContact CD1-CD1 3.82Å; L8-I62 HydrophobicContact CD2-CD1 4.4Å; L33-I62 HydrophobicContact CB-CD1 3.6Å; L33-I62 HydrophobicContact CD1-CD1 4.2Å; N35-I62 HydrophobicContact CB-CB 4.18Å; N35-I62 HydrophobicContact CB-CG2 3.59Å; N35-I62 PolarHBondContact ND2-O 3.47Å; R40-I62 WeakPolarHBondContact CA-O 3.46Å; V41-I62 PolarHBondContact N-O 3.5Å; V41-I62 PolarHBondContact O-N 3.44Å; F43-I62 HydrophobicContact CD1-CD1 3.82Å; F43-I62 HydrophobicContact CD1-CG1 3.63Å; F43-I62 HydrophobicContact CE1-CD1 4.18Å; F43-I62 HydrophobicContact CE1-CG1 3.86Å; I62-A66 HydrophobicContact CG2-CB 3.93Å; I62-A66 WeakPolarHBondContact CG2-O 3.45Å; I62-V68 HydrophobicContact CD1-CB 4.17Å; I62-V68 HydrophobicContact CD1-CG2 4.18Å; I62-V68 HydrophobicContact CG1-CB 4.38Å; I62-V68 HydrophobicContact CG1-CG2 3.87Å; I62-V68 HydrophobicContact CG2-CG2 4.3Å
63	D	94.6	Very high	94.7	Very high	88 Å²	88	48.4 Å²	48.4	47%	0.471	29%	0.288	S	S	.	.			trans	-68.4	160.6	176.3	-68.5	-53.2	0	0	0	112.1	N35 R40 G65 A66	N35-D63 WeakPolarHBondContact CB-O 3.39Å; N35-D63 PolarHBondContact ND2-O 2.95Å; N35-D63 VanDerWaalsContact ND2-O 3.08Å; R40-D63 VanDerWaalsContact CD-OD1 3.24Å; R40-D63 WeakPolarHBondContact CD-OD1 3.21Å; R40-D63 WeakPolarHBondContact CG-OD1 3.47Å; D63-G65 PolarHBondContact O-N 3.13Å; D63-A66 HydrophobicContact CB-CB 4.07Å; D63-A66 WeakPolarHBondContact O-CB 3.38Å; D63-A66 PolarHBondContact O-N 3.08Å
64	P	95.3	Very high	94.6	Very high	60 Å²	60	47.8 Å²	47.8	39%	0.39	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	130.1	174.4	-28.5	37.3	0	0	0	112.3	S37 D38 A66	S37-P64 VanDerWaalsContact O-CA 3.28Å; S37-P64 WeakPolarHBondContact O-CA 3.22Å; S37-P64 WeakPolarHBondContact O-CB 3.27Å; D38-P64 WeakPolarHBondContact O-CG 3.49Å; P64-A66 PolarHBondContact O-N 3.07Å; P64-A66 VanDerWaalsContact O-N 3.07Å
65	G	94.5	Very high	94.5	Very high	52 Å²	52	49.6 Å²	49.6	54%	0.536	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	-9	-178.5	0	0	0	0	0	115.7	N35 D63	N35-G65 CarbonylContact O-C 3.56Å; N35-G65 WeakPolarHBondContact O-CA 3.49Å; N35-G65 PolarHBondContact O-N 3.34Å; D63-G65 PolarHBondContact O-N 3.13Å
66	A	96.1	Very high	94.1	Very high	34 Å²	34	51.8 Å²	51.8	28%	0.281	31%	0.305	S	S	.	.			trans	-77.1	160.7	-177	0	0	0	0	0	112.4	N35 I62 D63 P64	N35-A66 PolarHBondContact N-O 2.82Å; I62-A66 HydrophobicContact CG2-CB 3.93Å; I62-A66 WeakPolarHBondContact CG2-O 3.45Å; D63-A66 HydrophobicContact CB-CB 4.07Å; D63-A66 WeakPolarHBondContact O-CB 3.38Å; D63-A66 PolarHBondContact O-N 3.08Å; P64-A66 PolarHBondContact O-N 3.07Å; P64-A66 VanDerWaalsContact O-N 3.07Å
67	T	95.3	Very high	93.5	Very high	72 Å²	72	45.6 Å²	45.6	44%	0.442	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	136.4	175.7	-57.7	0	0	0	0	109.7	K32 L33 K34	K32-T67 HydrophobicContact CB-CG2 4.4Å; L33-T67 CarbonylContact O-C 3.53Å; L33-T67 VanDerWaalsContact O-CA 3.3Å; L33-T67 WeakPolarHBondContact O-CA 3.26Å; K34-T67 HydrophobicContact CB-CG2 4.33Å
68	V	96.1	Very high	92.7	Very high	36 Å²	36	50.3 Å²	50.3	22%	0.218	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	133.1	176.4	171.7	0	0	0	0	109.2	K32 L33 F43 P57 I62 I70	K32-V68 WeakPolarHBondContact CA-O 3.45Å; L33-V68 PolarHBondContact N-O 3.01Å; L33-V68 PolarHBondContact O-N 2.91Å; F43-V68 HydrophobicContact CE1-CG1 4.4Å; F43-V68 HydrophobicContact CZ-CG1 4.19Å; P57-V68 HydrophobicContact CG-CG1 3.97Å; I62-V68 HydrophobicContact CD1-CB 4.17Å; I62-V68 HydrophobicContact CD1-CG2 4.18Å; I62-V68 HydrophobicContact CG1-CB 4.38Å; I62-V68 HydrophobicContact CG1-CG2 3.87Å; I62-V68 HydrophobicContact CG2-CG2 4.3Å; V68-I70 HydrophobicContact CG1-CG1 4.21Å
69	N	95.9	Very high	91.9	Very high	94 Å²	94	49.4 Å²	49.4	50%	0.503	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	126.3	172.1	-66.2	-5.8	0	0	0	109.2	K32	K32-N69 WeakPolarHBondContact CG-OD1 3.29Å
70	I	96.4	Very high	91	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	120.9	177.7	-58	177.8	0	0	0	108.3	N30 L31 L33 F43 V45 V55 P57 V68 V72	N30-I70 WeakPolarHBondContact CA-O 3.46Å; L31-I70 HydrophobicContact CB-CB 4.3Å; L31-I70 PolarHBondContact N-O 3.13Å; L31-I70 WeakPolarHBondContact O-CA 3.36Å; L31-I70 WeakPolarHBondContact O-CB 3.36Å; L31-I70 PolarHBondContact O-N 2.92Å; L33-I70 HydrophobicContact CD1-CD1 3.4Å; L33-I70 VanDerWaalsContact CD1-CD1 3.4Å; L33-I70 HydrophobicContact CG-CD1 3.72Å; F43-I70 HydrophobicContact CD2-CD1 3.94Å; F43-I70 HydrophobicContact CE2-CD1 3.47Å; F43-I70 VanDerWaalsContact CE2-CD1 3.47Å; F43-I70 HydrophobicContact CE2-CG1 4.26Å; F43-I70 HydrophobicContact CZ-CD1 4.14Å; V45-I70 HydrophobicContact CG2-CD1 3.81Å; V55-I70 HydrophobicContact CG1-CG2 3.43Å; V55-I70 VanDerWaalsContact CG1-CG2 3.43Å; P57-I70 HydrophobicContact CG-CG1 4.33Å; P57-I70 WeakPolarHBondContact O-CG2 3.44Å; V68-I70 HydrophobicContact CG1-CG1 4.21Å; I70-V72 HydrophobicContact CG2-CG2 4.26Å
71	S	95	Very high	90	Very high	40 Å²	40	54.2 Å²	54.2	28%	0.28	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	117.7	173.2	-59.2	0	0	0	0	109.5	N30 V55 R56	N30-S71 PolarHBondContact OD1-OG 3.44Å; V55-S71 WeakPolarHBondContact CA-O 3.5Å; R56-S71 PolarHBondContact N-O 2.81Å; R56-S71 PolarHBondContact O-N 3.43Å
72	V	94.8	Very high	88.8	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	106.2	174.8	-176.5	0	0	0	0	107.7	L16 F18 T28 A29 Y53 V55 I70 F89	L16-V72 HydrophobicContact CD2-CB 3.82Å; L16-V72 HydrophobicContact CD2-CG1 3.88Å; L16-V72 HydrophobicContact CD2-CG2 3.78Å; F18-V72 HydrophobicContact CE1-CG1 4.08Å; F18-V72 HydrophobicContact CZ-CB 4.37Å; F18-V72 HydrophobicContact CZ-CG1 3.72Å; T28-V72 WeakPolarHBondContact CA-O 3.3Å; A29-V72 PolarHBondContact N-O 3.4Å; A29-V72 PolarHBondContact O-N 3.05Å; Y53-V72 HydrophobicContact CD1-CG1 3.91Å; Y53-V72 HydrophobicContact CE1-CG1 4.47Å; V55-V72 HydrophobicContact CG1-CG2 4.38Å; V55-V72 HydrophobicContact CG2-CG1 4.35Å; V55-V72 HydrophobicContact CG2-CG2 4.46Å; I70-V72 HydrophobicContact CG2-CG2 4.26Å; V72-F89 HydrophobicContact CG1-CE1 3.91Å; V72-F89 HydrophobicContact CG1-CE2 3.85Å; V72-F89 HydrophobicContact CG1-CZ 3.34Å
73	M	92.6	Very high	87.7	Confident	34 Å²	34	61.7 Å²	61.7	17%	0.167	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	112	-179.1	-63.8	160.6	-77.6	0	0	109.2	V26 V27 T28 Y53 C54 R56	V26-M73 HydrophobicContact CG1-CB 3.92Å; V26-M73 HydrophobicContact CG1-CG 4.36Å; V27-M73 CarbonylContact O-C 3.49Å; V27-M73 WeakPolarHBondContact O-CA 3.38Å; T28-M73 HydrophobicContact CG2-CG 4.04Å; Y53-M73 CarbonylContact C-O 3.56Å; Y53-M73 WeakPolarHBondContact CA-O 3.39Å; C54-M73 HydrophobicContact CB-CB 4.2Å; C54-M73 HydrophobicContact CB-CE 3.93Å; C54-M73 PolarHBondContact N-O 3.3Å; C54-M73 PolarHBondContact O-N 3.37Å; R56-M73 HydrophobicContact CB-CE 4.17Å; R56-M73 HydrophobicContact CG-CE 3.98Å
74	L	91.1	Very high	86	Confident	1 Å²	1	66.6 Å²	66.6	1%	0.005	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	123.6	169.1	177.8	68.1	0	0	0	108.8	F18 F23 V26 V27 Y53 F77 F124	F18-L74 HydrophobicContact CB-CD2 4.38Å; F18-L74 HydrophobicContact CD1-CB 3.86Å; F18-L74 HydrophobicContact CD1-CD2 4.2Å; F18-L74 HydrophobicContact CE1-CB 3.91Å; F18-L74 HydrophobicContact CG-CD2 4.28Å; F23-L74 HydrophobicContact CD1-CD2 3.58Å; F23-L74 HydrophobicContact CE1-CD2 3.93Å; V26-L74 WeakPolarHBondContact CA-O 3.34Å; V27-L74 HydrophobicContact CB-CB 4.3Å; V27-L74 HydrophobicContact CB-CD2 4.34Å; V27-L74 PolarHBondContact N-O 3.41Å; V27-L74 VanDerWaalsContact N-O 3.09Å; V27-L74 WeakPolarHBondContact O-CB 3.49Å; V27-L74 PolarHBondContact O-N 3.31Å; Y53-L74 HydrophobicContact CD1-CB 4.18Å; Y53-L74 HydrophobicContact CD1-CD1 3.93Å; Y53-L74 HydrophobicContact CE1-CB 4Å; Y53-L74 HydrophobicContact CE1-CD1 3.39Å; Y53-L74 HydrophobicContact CE1-CG 4.26Å; Y53-L74 HydrophobicContact CE2-CD1 4.47Å; L74-F77 HydrophobicContact CD1-CD1 4.25Å; L74-F77 HydrophobicContact CD1-CE1 3.85Å; L74-F77 HydrophobicContact CD2-CE1 4.04Å; L74-F77 HydrophobicContact CG-CD1 4.5Å; L74-F77 HydrophobicContact CG-CE1 4.16Å; L74-F124 HydrophobicContact CD1-CE1 4Å; L74-F124 HydrophobicContact CD1-CZ 4.4Å; L74-F124 HydrophobicContact CD2-CD1 3.99Å; L74-F124 HydrophobicContact CD2-CE1 3.55Å; L74-F124 HydrophobicContact CG-CE1 4.42Å
75	Q	91.1	Very high	84.3	Confident	76 Å²	76	65.6 Å²	65.6	36%	0.355	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-74.2	151.3	175.2	-63.4	-60.4	-65.2	0	0	110.5	R52 F77	R52-Q75 PolarHBondContact O-N 3.3Å; Q75-F77 PolarHBondContact O-N 3.16Å
76	P	87.4	Confident	83.5	Confident	64 Å²	64	70.9 Å²	70.9	42%	0.416	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-51.6	132.9	174.5	-30.2	36.9	0	0	0	112.9	F23 T24 V26	F23-P76 CarbonylContact O-C 3.59Å; F23-P76 VanDerWaalsContact O-CA 3.26Å; F23-P76 WeakPolarHBondContact O-CA 3.49Å; T24-P76 VanDerWaalsContact O-CB 3.29Å; T24-P76 WeakPolarHBondContact O-CB 3.23Å; T24-P76 WeakPolarHBondContact O-CG 3.39Å; V26-P76 HydrophobicContact CG2-CG 4.3Å
77	F	82.6	Confident	83.2	Confident	37 Å²	37	69.6 Å²	69.6	16%	0.162	36%	0.362	C	S	.	.			trans	-156.1	155.4	170.9	76.6	-71.9	0	0	0	111.3	F23 L74 Q75 Y79 F124	F23-F77 HydrophobicContact CB-CD1 4.29Å; F23-F77 HydrophobicContact CB-CE1 4.11Å; F23-F77 HydrophobicContact CG-CE1 4.32Å; F23-F77 PolarHBondContact O-N 3.06Å; F23-F77 VanDerWaalsContact O-O 3.1Å; L74-F77 HydrophobicContact CD1-CD1 4.25Å; L74-F77 HydrophobicContact CD1-CE1 3.85Å; L74-F77 HydrophobicContact CD2-CE1 4.04Å; L74-F77 HydrophobicContact CG-CD1 4.5Å; L74-F77 HydrophobicContact CG-CE1 4.16Å; Q75-F77 PolarHBondContact O-N 3.16Å; F77-Y79 HydrophobicContact CE2-CD2 4.17Å; F77-Y79 AromaticContact CZ-CD2 3.82Å; F77-Y79 HydrophobicContact CZ-CD2 3.82Å; F77-Y79 PolarHBondContact O-N 3.27Å; F77-F124 HydrophobicContact CZ-CZ 4.39Å
78	D	79.2	Confident	83	Confident	151 Å²	151	70.8 Å²	70.8	81%	0.807	36%	0.361	S	S	*	.			trans	-69.1	103.6	173	-62.2	-40.4	0	0	0	109	D80	D78-D80 PolarHBondContact O-N 3.06Å
79	Y	75.8	Confident	83	Confident	71 Å²	71	69.2 Å²	69.2	28%	0.278	35%	0.351	S	S	.	.			trans	-78.8	115.8	178.8	177.1	-90.2	0	0	0	110.3	F23 F77 P81 F124 L126	F23-Y79 HydrophobicContact CD2-CD1 4.16Å; F23-Y79 AromaticContact CD2-CD2 3.62Å; F23-Y79 HydrophobicContact CD2-CD2 3.62Å; F23-Y79 HydrophobicContact CD2-CE2 4.45Å; F23-Y79 AromaticContact CD2-CG 3.44Å; F23-Y79 HydrophobicContact CD2-CG 3.44Å; F23-Y79 VanDerWaalsContact CD2-CG 3.44Å; F23-Y79 HydrophobicContact CE2-CD1 4.13Å; F23-Y79 AromaticContact CE2-CD2 3.58Å; F23-Y79 HydrophobicContact CE2-CD2 3.58Å; F23-Y79 HydrophobicContact CE2-CE1 4.49Å; F23-Y79 AromaticContact CE2-CE2 3.96Å; F23-Y79 HydrophobicContact CE2-CE2 3.96Å; F23-Y79 AromaticContact CE2-CG 3.67Å; F23-Y79 HydrophobicContact CE2-CG 3.67Å; F77-Y79 HydrophobicContact CE2-CD2 4.17Å; F77-Y79 AromaticContact CZ-CD2 3.82Å; F77-Y79 HydrophobicContact CZ-CD2 3.82Å; F77-Y79 PolarHBondContact O-N 3.27Å; Y79-P81 HydrophobicContact CD1-CG 4.15Å; Y79-P81 HydrophobicContact CE1-CB 4Å; Y79-P81 HydrophobicContact CE1-CG 3.78Å; Y79-F124 HydrophobicContact CE2-CB 3.73Å; Y79-F124 AromaticContact CE2-CD2 3.91Å; Y79-F124 HydrophobicContact CE2-CD2 3.91Å; Y79-F124 AromaticContact CE2-CG 3.98Å; Y79-F124 HydrophobicContact CE2-CG 3.98Å; Y79-L126 HydrophobicContact CD1-CD1 3.84Å; Y79-L126 HydrophobicContact CD1-CD2 4.1Å; Y79-L126 HydrophobicContact CD1-CG 4.47Å; Y79-L126 HydrophobicContact CE1-CD1 3.28Å; Y79-L126 HydrophobicContact CE1-CD2 4.27Å; Y79-L126 HydrophobicContact CE1-CG 4.34Å
80	D	75.8	Confident	82.9	Confident	72 Å²	72	67.1 Å²	67.1	39%	0.385	34%	0.338	S	S	.	.			trans	-98.1	115.6	168.1	-179.9	2.2	0	0	0	109.7	D78 N82 E83	D78-D80 PolarHBondContact O-N 3.06Å; D80-N82 PolarHBondContact O-N 2.86Å; D80-N82 VanDerWaalsContact O-N 3.15Å; D80-N82 VanDerWaalsContact OD1-CB 3.31Å; D80-N82 WeakPolarHBondContact OD1-CB 3.37Å; D80-N82 PolarHBondContact OD1-N 2.98Å; D80-N82 PolarHBondContact OD1-ND2 2.67Å; D80-E83 HydrophobicContact CB-CB 3.98Å; D80-E83 VanDerWaalsContact O-CB 3.27Å; D80-E83 WeakPolarHBondContact O-CB 3.25Å; D80-E83 PolarHBondContact O-N 2.95Å
81	P	71	Confident	82.8	Confident	95 Å²	95	67.1 Å²	67.1	62%	0.617	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-24.6	175.4	-19.9	29	0	0	0	114	Y79 E83	Y79-P81 HydrophobicContact CD1-CG 4.15Å; Y79-P81 HydrophobicContact CE1-CB 4Å; Y79-P81 HydrophobicContact CE1-CG 3.78Å; P81-E83 VanDerWaalsContact C-N 3.33Å
82	N	70.1	Confident	82.8	Confident	135 Å²	135	66 Å²	66	72%	0.722	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-18.1	176.5	-58.2	-58.4	0	0	0	112.3	D80 K84	D80-N82 PolarHBondContact O-N 2.86Å; D80-N82 VanDerWaalsContact O-N 3.15Å; D80-N82 VanDerWaalsContact OD1-CB 3.31Å; D80-N82 WeakPolarHBondContact OD1-CB 3.37Å; D80-N82 PolarHBondContact OD1-N 2.98Å; D80-N82 PolarHBondContact OD1-ND2 2.67Å; N82-K84 PolarHBondContact O-N 2.81Å; N82-K84 VanDerWaalsContact O-N 3.09Å
83	E	71.1	Confident	82.8	Confident	83 Å²	83	66 Å²	66	39%	0.388	33%	0.329	S	S	.	.			trans	-71.8	105.8	175.1	-162	-176.3	144.1	0	0	108.6	R52 D80 P81 S85	R52-E83 IonicContact CZ-OE1 2.81Å; R52-E83 IonicContact NH1-OE1 3.43Å; R52-E83 PolarHBondContact NH1-OE1 2.96Å; R52-E83 IonicContact NH2-OE1 3.46Å; R52-E83 PolarHBondContact NH2-OE1 3.19Å; D80-E83 HydrophobicContact CB-CB 3.98Å; D80-E83 VanDerWaalsContact O-CB 3.27Å; D80-E83 WeakPolarHBondContact O-CB 3.25Å; D80-E83 PolarHBondContact O-N 2.95Å; P81-E83 VanDerWaalsContact C-N 3.33Å; E83-S85 WeakPolarHBondContact CG-OG 3.45Å; E83-S85 PolarHBondContact O-N 2.99Å; E83-S85 WeakPolarHBondContact OE1-CB 3.38Å; E83-S85 PolarHBondContact OE1-OG 3.12Å
84	K	58.9	Low	82.9	Confident	192 Å²	192	64.9 Å²	64.9	84%	0.835	32%	0.324	S	S	*	.			trans	-70.1	32	176.7	-60.6	-178.4	-177.4	176.3	0	112.8	N82 K86	N82-K84 PolarHBondContact O-N 2.81Å; N82-K84 VanDerWaalsContact O-N 3.09Å; K84-K86 VanDerWaalsContact C-N 3.25Å; K84-K86 PolarHBondContact O-N 2.8Å
85	S	60.3	Low	82.9	Confident	39 Å²	39	67.1 Å²	67.1	27%	0.273	33%	0.333	S	S	.	.			trans	-67.8	82.1	-178.6	-89.2	0	0	0	0	110.7	R52 E83 H87	R52-S85 PolarHBondContact NH2-OG 3.4Å; E83-S85 WeakPolarHBondContact CG-OG 3.45Å; E83-S85 PolarHBondContact O-N 2.99Å; E83-S85 WeakPolarHBondContact OE1-CB 3.38Å; E83-S85 PolarHBondContact OE1-OG 3.12Å; S85-H87 VanDerWaalsContact C-N 3.29Å; S85-H87 PolarHBondContact O-N 2.78Å
86	K	76.9	Confident	82.8	Confident	162 Å²	162	64.3 Å²	64.3	70%	0.704	32%	0.321	S	S	*	.			trans	-80.4	76	173	-65	178.9	-175.5	-177.3	0	108.8	K84	K84-K86 VanDerWaalsContact C-N 3.25Å; K84-K86 PolarHBondContact O-N 2.8Å
87	H	88.9	Confident	82.8	Confident	8 Å²	8	63.4 Å²	63.4	4%	0.037	32%	0.316	C	S	.	.			trans	-57.8	142.2	173	-61	149.6	0	0	0	110.7	R52 Y53 S85 C122 F124	R52-H87 PolarHBondContact NE-CE1 2.96Å; R52-H87 PolarHBondContact NE-NE2 3.16Å; R52-H87 PolarHBondContact NH2-CE1 3.06Å; R52-H87 PolarHBondContact NH2-NE2 2.98Å; Y53-H87 HydrophobicContact CE2-CB 3.83Å; Y53-H87 AromaticContact CE2-CG 3.67Å; Y53-H87 AromaticContact CE2-ND1 3.26Å; Y53-H87 VanDerWaalsContact CE2-ND1 3.26Å; Y53-H87 WeakPolarHBondContact CE2-ND1 3.37Å; Y53-H87 AromaticContact CZ-ND1 3.42Å; Y53-H87 WeakPolarHBondContact OH-CB 3.32Å; Y53-H87 PolarHBondContact OH-ND1 2.87Å; S85-H87 VanDerWaalsContact C-N 3.29Å; S85-H87 PolarHBondContact O-N 2.78Å; H87-C122 HydrophobicContact CB-CB 3.9Å; H87-C122 VanDerWaalsContact CB-SG 3.59Å; H87-C122 WeakPolarHBondContact O-CB 3.43Å; H87-C122 PolarHBondContact O-N 3.07Å; H87-C122 PolarHBondContact O-SG 2.68Å; H87-C122 VanDerWaalsContact O-SG 3.38Å; H87-F124 AromaticContact CE1-CZ 3.99Å; H87-F124 AromaticContact ND1-CE2 3.87Å; H87-F124 AromaticContact ND1-CZ 3.43Å; H87-F124 WeakPolarHBondContact ND1-CZ 3.35Å
88	K	92.7	Very high	82.6	Confident	97 Å²	97	67.9 Å²	67.9	42%	0.422	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	136.8	178.2	-65.4	171.9	-173.8	-76.6	0	109.1	T47 T48 L120	T47-K88 WeakPolarHBondContact CA-O 3.4Å; T47-K88 PolarHBondContact OG1-O 3.31Å; T48-K88 HydrophobicContact CG2-CB 4.07Å; T48-K88 PolarHBondContact N-O 3.41Å; T48-K88 VanDerWaalsContact N-O 3.1Å; T48-K88 PolarHBondContact OG1-N 2.8Å; T48-K88 VanDerWaalsContact OG1-N 3.11Å; K88-L120 CarbonylContact C-O 3.44Å; K88-L120 VanDerWaalsContact CA-O 3.31Å; K88-L120 WeakPolarHBondContact CA-O 3.26Å
89	F	94.6	Very high	82.5	Confident	3 Å²	3	67.3 Å²	67.3	1%	0.013	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	150	164.6	-78.2	-87.8	0	0	0	109.4	L16 F18 V45 K46 T47 Y53 V55 V72 K119 L120 C122	L16-F89 HydrophobicContact CD2-CD2 4.24Å; L16-F89 HydrophobicContact CD2-CE2 4.29Å; F18-F89 HydrophobicContact CZ-CE2 4.49Å; V45-F89 HydrophobicContact CG1-CD1 3.75Å; V45-F89 HydrophobicContact CG1-CE1 4.34Å; K46-F89 CarbonylContact O-C 3.58Å; K46-F89 WeakPolarHBondContact O-CA 3.44Å; T47-F89 HydrophobicContact CG2-CE1 4.24Å; Y53-F89 HydrophobicContact CD1-CE2 4.01Å; Y53-F89 AromaticContact CD1-CZ 3.6Å; Y53-F89 HydrophobicContact CD1-CZ 3.6Å; Y53-F89 HydrophobicContact CD2-CE2 4.2Å; Y53-F89 AromaticContact CD2-CZ 3.79Å; Y53-F89 HydrophobicContact CD2-CZ 3.79Å; Y53-F89 AromaticContact CE1-CE2 3.87Å; Y53-F89 HydrophobicContact CE1-CE2 3.87Å; Y53-F89 AromaticContact CE1-CZ 3.97Å; Y53-F89 HydrophobicContact CE1-CZ 3.97Å; Y53-F89 HydrophobicContact CE2-CE2 4.1Å; Y53-F89 HydrophobicContact CE2-CZ 4.16Å; Y53-F89 HydrophobicContact CG-CE1 4.47Å; Y53-F89 HydrophobicContact CG-CE2 4.16Å; Y53-F89 AromaticContact CG-CZ 3.49Å; Y53-F89 HydrophobicContact CG-CZ 3.49Å; Y53-F89 VanDerWaalsContact CG-CZ 3.49Å; Y53-F89 AromaticContact CZ-CE2 3.92Å; V55-F89 HydrophobicContact CG2-CE1 3.7Å; V55-F89 HydrophobicContact CG2-CZ 4.44Å; V72-F89 HydrophobicContact CG1-CE1 3.91Å; V72-F89 HydrophobicContact CG1-CE2 3.85Å; V72-F89 HydrophobicContact CG1-CZ 3.34Å; F89-K119 CarbonylContact O-C 3.58Å; F89-K119 WeakPolarHBondContact O-CA 3.44Å; F89-L120 HydrophobicContact CB-CB 4.3Å; F89-L120 HydrophobicContact CB-CD1 4.2Å; F89-L120 PolarHBondContact N-O 3.06Å; F89-L120 PolarHBondContact O-N 2.82Å; F89-C122 WeakPolarHBondContact CD2-SG 3.11Å; F89-C122 WeakPolarHBondContact CE2-SG 3.49Å
90	M	94.3	Very high	82.4	Confident	49 Å²	49	64.8 Å²	64.8	24%	0.241	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	118.3	174.3	-177.9	171.5	61.2	0	0	108.2	K46 D117 S118 K119	K46-M90 HydrophobicContact CB-CB 4.39Å; K46-M90 HydrophobicContact CB-CE 4.08Å; K46-M90 HydrophobicContact CD-CE 3.73Å; K46-M90 PolarHBondContact N-O 2.83Å; K46-M90 PolarHBondContact O-N 2.75Å; M90-D117 HydrophobicContact CG-CB 4.31Å; M90-D117 HydrophobicContact SD-CB 4.26Å; M90-S118 CarbonylContact C-O 3.55Å; M90-S118 VanDerWaalsContact CA-O 3.25Å; M90-S118 WeakPolarHBondContact CA-O 3.35Å; M90-K119 HydrophobicContact CG-CG 4.29Å
91	V	95.4	Very high	82.2	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	106.7	171.4	-178.8	0	0	0	0	106.6	Q6 L10 L31 L33 T93 S118 L120	Q6-V91 PolarHBondContact NE2-O 2.85Å; L10-V91 HydrophobicContact CD2-CB 4.14Å; L10-V91 HydrophobicContact CD2-CG2 3.85Å; L31-V91 HydrophobicContact CD2-CG2 3.89Å; L33-V91 HydrophobicContact CD1-CG1 3.89Å; L33-V91 HydrophobicContact CD2-CG1 4.19Å; L33-V91 HydrophobicContact CD2-CG2 4.41Å; V91-T93 HydrophobicContact CG1-CG2 4.03Å; V91-S118 PolarHBondContact N-O 2.78Å; V91-S118 PolarHBondContact O-N 2.9Å; V91-L120 HydrophobicContact CG2-CD1 3.79Å
92	Q	94.6	Very high	82.6	Confident	17 Å²	17	66.4 Å²	66.4	8%	0.079	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	134.7	175.5	178	162.9	74.2	0	0	108.8	F43 K44 W107 L115 M116 D117	F43-Q92 CarbonylContact C-O 3.56Å; F43-Q92 VanDerWaalsContact CA-O 3.32Å; F43-Q92 WeakPolarHBondContact CA-O 3.45Å; K44-Q92 PolarHBondContact N-O 3.49Å; K44-Q92 PolarHBondContact O-N 3.39Å; Q92-W107 HydrophobicContact CG-CH2 4.24Å; Q92-W107 HydrophobicContact CG-CZ3 3.92Å; Q92-L115 HydrophobicContact CG-CD2 4.19Å; Q92-M116 CarbonylContact C-O 3.57Å; Q92-M116 WeakPolarHBondContact CA-O 3.45Å; Q92-D117 VanDerWaalsContact CG-OD1 3.29Å; Q92-D117 WeakPolarHBondContact CG-OD1 3.29Å; Q92-D117 PolarHBondContact NE2-OD1 3.48Å
93	T	94.5	Very high	83.1	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	156.5	-175.7	53	0	0	0	0	111.3	Q6 L8 V41 C42 F43 V91 M116	Q6-T93 PolarHBondContact NE2-OG1 2.92Å; Q6-T93 PolarHBondContact OE1-OG1 3.28Å; L8-T93 HydrophobicContact CD1-CG2 3.38Å; L8-T93 HydrophobicContact CG-CG2 3.86Å; V41-T93 HydrophobicContact CG1-CG2 4.24Å; C42-T93 WeakPolarHBondContact O-CA 3.39Å; C42-T93 WeakPolarHBondContact O-CB 3.3Å; F43-T93 HydrophobicContact CB-CG2 3.94Å; V91-T93 HydrophobicContact CG1-CG2 4.03Å; T93-M116 PolarHBondContact N-O 2.9Å; T93-M116 PolarHBondContact O-N 2.78Å; T93-M116 VanDerWaalsContact OG1-CB 3.26Å; T93-M116 WeakPolarHBondContact OG1-CB 3.34Å; T93-M116 PolarHBondContact OG1-O 2.81Å
94	I	93.6	Very high	83.7	Confident	11 Å²	11	63.4 Å²	63.4	6%	0.056	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	143.4	176.7	-174.9	169.5	0	0	0	109	C42 V106 W107 A110 D114 L115	C42-I94 HydrophobicContact CB-CG2 3.74Å; C42-I94 PolarHBondContact N-O 2.87Å; C42-I94 PolarHBondContact O-N 3.07Å; C42-I94 VanDerWaalsContact O-N 3.07Å; I94-V106 HydrophobicContact CD1-CG1 4.17Å; I94-V106 HydrophobicContact CG1-CG1 4.39Å; I94-V106 HydrophobicContact CG2-CG1 3.59Å; I94-W107 HydrophobicContact CB-CZ3 4.48Å; I94-W107 HydrophobicContact CG2-CE3 4.17Å; I94-W107 HydrophobicContact CG2-CH2 3.85Å; I94-W107 HydrophobicContact CG2-CZ2 4.3Å; I94-W107 HydrophobicContact CG2-CZ3 3.78Å; I94-A110 HydrophobicContact CD1-CB 3.39Å; I94-D114 HydrophobicContact CD1-CB 4.31Å; I94-L115 HydrophobicContact CB-CD2 4.17Å; I94-L115 HydrophobicContact CD1-CD2 4.24Å
95	F	92.1	Very high	84.9	Confident	48 Å²	48	56.7 Å²	56.7	21%	0.211	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	134	171.1	-74.8	-63.9	0	0	0	110.8	V7 R39 V41 P97 M116	V7-F95 HydrophobicContact CB-CZ 4.11Å; V7-F95 HydrophobicContact CG1-CE1 4.26Å; V7-F95 HydrophobicContact CG1-CZ 4.18Å; V7-F95 HydrophobicContact CG2-CE1 4.14Å; V7-F95 HydrophobicContact CG2-CZ 3.86Å; R39-F95 HydrophobicContact CB-CD1 3.82Å; R39-F95 HydrophobicContact CB-CE1 4.05Å; V41-F95 HydrophobicContact CG2-CD1 3.75Å; V41-F95 HydrophobicContact CG2-CE1 3.79Å; F95-P97 VanDerWaalsContact O-CD 3.31Å; F95-P97 WeakPolarHBondContact O-CD 3.48Å; F95-M116 HydrophobicContact CD2-CE 3.97Å; F95-M116 HydrophobicContact CE2-CE 3.54Å; F95-M116 HydrophobicContact CZ-CE 4.35Å
96	V	89.9	Confident	86.2	Confident	16 Å²	16	55.1 Å²	55.1	10%	0.097	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-69.3	120	172.2	-176	0	0	0	0	108.1	R40 C42 V61 A100 V106	R40-V96 HydrophobicContact CB-CB 3.99Å; R40-V96 HydrophobicContact CB-CG2 3.84Å; R40-V96 WeakPolarHBondContact O-CG2 3.43Å; R40-V96 PolarHBondContact O-N 3.33Å; C42-V96 HydrophobicContact CB-CG2 4.43Å; C42-V96 WeakPolarHBondContact SG-CG2 3.12Å; V61-V96 HydrophobicContact CG1-CG2 4.05Å; V96-A100 HydrophobicContact CG1-CB 4.41Å; V96-V106 HydrophobicContact CG1-CG2 4.34Å
97	P	86.3	Confident	86.7	Confident	46 Å²	46	49.4 Å²	49.4	30%	0.299	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-73.2	146.8	173.5	33.4	-34.1	0	0	0	109.3	F95 N99 A100	F95-P97 VanDerWaalsContact O-CD 3.31Å; F95-P97 WeakPolarHBondContact O-CD 3.48Å; P97-N99 VanDerWaalsContact CB-OD1 3.3Å; P97-N99 WeakPolarHBondContact CB-OD1 3.5Å; P97-N99 WeakPolarHBondContact CG-OD1 3.39Å; P97-N99 PolarHBondContact O-N 2.84Å; P97-A100 HydrophobicContact CG-CB 3.8Å; P97-A100 PolarHBondContact O-N 2.78Å; P97-A100 VanDerWaalsContact O-N 3.08Å
98	S	78.7	Confident	86.6	Confident	130 Å²	130	57.1 Å²	57.1	91%	0.909	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-16.3	-172	-49.8	0	0	0	0	114.2
99	N	76.9	Confident	86.3	Confident	140 Å²	140	58.5 Å²	58.5	75%	0.749	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-7.6	179.7	66.6	-23.1	0	0	0	114	P97	P97-N99 VanDerWaalsContact CB-OD1 3.3Å; P97-N99 WeakPolarHBondContact CB-OD1 3.5Å; P97-N99 WeakPolarHBondContact CG-OD1 3.39Å; P97-N99 PolarHBondContact O-N 2.84Å
100	A	74.7	Confident	86	Confident	18 Å²	18	59.4 Å²	59.4	15%	0.149	34%	0.336	C	S	.	.			trans	-82	122.9	-178.2	0	0	0	0	0	111.2	V96 P97 V106	V96-A100 HydrophobicContact CG1-CB 4.41Å; P97-A100 HydrophobicContact CG-CB 3.8Å; P97-A100 PolarHBondContact O-N 2.78Å; P97-A100 VanDerWaalsContact O-N 3.08Å; A100-V106 HydrophobicContact CB-CG2 3.44Å; A100-V106 VanDerWaalsContact CB-CG2 3.44Å
101	A	70.6	Confident	85.6	Confident	94 Å²	94	62.6 Å²	62.6	78%	0.777	35%	0.349	S	S	*	.			trans	-78.8	-37.3	172.2	0	0	0	0	0	111.8
102	D	79.2	Confident	85.1	Confident	106 Å²	106	67.8 Å²	67.8	57%	0.567	38%	0.382	S	S	*	.	S	Bend	trans	-127.9	152.7	-169.4	-67.4	-39.7	0	0	0	113.5	D104 T105 V106	D102-D104 VanDerWaalsContact C-N 3.3Å; D102-D104 PolarHBondContact O-N 2.97Å; D102-T105 PolarHBondContact O-N 2.81Å; D102-T105 PolarHBondContact O-OG1 3.23Å; D102-V106 WeakPolarHBondContact O-CG2 3.34Å; D102-V106 PolarHBondContact O-N 2.84Å
103	N	80.8	Confident	84.7	Confident	40 Å²	40	71.3 Å²	71.3	21%	0.214	40%	0.399	C	S	.	.	H	α-helix	trans	-61.5	-37.1	177.5	-170.4	-97.7	0	0	0	112.4	C42 T105 V106 W107	C42-N103 PolarHBondContact SG-ND2 3.47Å; N103-T105 PolarHBondContact O-N 3.47Å; N103-V106 WeakPolarHBondContact O-CB 3.45Å; N103-V106 PolarHBondContact O-N 2.81Å; N103-W107 PolarHBondContact O-N 2.92Å; N103-W107 VanDerWaalsContact OD1-CD1 3.23Å; N103-W107 PolarHBondContact OD1-NE1 2.64Å
104	D	83.3	Confident	84.4	Confident	115 Å²	115	74.6 Å²	74.6	62%	0.615	42%	0.417	S	S	*	.	H	α-helix	trans	-68.7	-34.3	-176.9	-73.5	-35.2	0	0	0	113.1	D102 V106 W107 K108	D102-D104 VanDerWaalsContact C-N 3.3Å; D102-D104 PolarHBondContact O-N 2.97Å; D104-V106 VanDerWaalsContact C-N 3.34Å; D104-W107 PolarHBondContact O-N 3.2Å; D104-K108 WeakPolarHBondContact O-CG 3.49Å; D104-K108 PolarHBondContact O-N 3.24Å; D104-K108 VanDerWaalsContact O-N 3.16Å
105	T	84.7	Confident	84.3	Confident	52 Å²	52	75.4 Å²	75.4	32%	0.319	42%	0.421	S	S	.	.	H	α-helix	trans	-68.2	-39	175.6	57	0	0	0	0	110.5	D102 N103 W107 K108 D109	D102-T105 PolarHBondContact O-N 2.81Å; D102-T105 PolarHBondContact O-OG1 3.23Å; N103-T105 PolarHBondContact O-N 3.47Å; T105-W107 VanDerWaalsContact C-N 3.27Å; T105-W107 PolarHBondContact O-N 2.83Å; T105-K108 PolarHBondContact O-N 3.42Å; T105-K108 VanDerWaalsContact O-N 3.13Å; T105-D109 PolarHBondContact O-N 3.28Å
106	V	87.1	Confident	84.3	Confident	5 Å²	5	73.5 Å²	73.5	3%	0.03	41%	0.413	C	S	.	.	H	α-helix	trans	-56.3	-43	175.2	-178.1	0	0	0	0	111.2	I94 V96 A100 D102 N103 D104 A110	I94-V106 HydrophobicContact CD1-CG1 4.17Å; I94-V106 HydrophobicContact CG1-CG1 4.39Å; I94-V106 HydrophobicContact CG2-CG1 3.59Å; V96-V106 HydrophobicContact CG1-CG2 4.34Å; A100-V106 HydrophobicContact CB-CG2 3.44Å; A100-V106 VanDerWaalsContact CB-CG2 3.44Å; D102-V106 WeakPolarHBondContact O-CG2 3.34Å; D102-V106 PolarHBondContact O-N 2.84Å; N103-V106 WeakPolarHBondContact O-CB 3.45Å; N103-V106 PolarHBondContact O-N 2.81Å; D104-V106 VanDerWaalsContact C-N 3.34Å; V106-A110 VanDerWaalsContact O-CB 3.26Å; V106-A110 WeakPolarHBondContact O-CB 3.14Å; V106-A110 PolarHBondContact O-N 2.78Å
107	W	87.6	Confident	84.5	Confident	42 Å²	42	74.6 Å²	74.6	16%	0.159	42%	0.418	C	S	.	.	H	α-helix	trans	-74.3	-27.5	179.4	-65.9	114	0	0	0	114.3	C42 K44 Q92 I94 N103 D104 T105 L115	C42-W107 HydrophobicContact CB-CZ2 3.91Å; K44-W107 HydrophobicContact CB-CH2 3.76Å; K44-W107 HydrophobicContact CB-CZ2 3.59Å; Q92-W107 HydrophobicContact CG-CH2 4.24Å; Q92-W107 HydrophobicContact CG-CZ3 3.92Å; I94-W107 HydrophobicContact CB-CZ3 4.48Å; I94-W107 HydrophobicContact CG2-CE3 4.17Å; I94-W107 HydrophobicContact CG2-CH2 3.85Å; I94-W107 HydrophobicContact CG2-CZ2 4.3Å; I94-W107 HydrophobicContact CG2-CZ3 3.78Å; N103-W107 PolarHBondContact O-N 2.92Å; N103-W107 VanDerWaalsContact OD1-CD1 3.23Å; N103-W107 PolarHBondContact OD1-NE1 2.64Å; D104-W107 PolarHBondContact O-N 3.2Å; T105-W107 VanDerWaalsContact C-N 3.27Å; T105-W107 PolarHBondContact O-N 2.83Å; W107-L115 HydrophobicContact CE3-CD2 4.32Å; W107-L115 HydrophobicContact CZ3-CD2 3.87Å
108	K	87.4	Confident	84.8	Confident	170 Å²	170	73.6 Å²	73.6	74%	0.739	41%	0.412	S	S	*	.	H	α-helix	trans	-76	-40	177.3	-74.5	174.7	-179.7	176.6	0	111.9	D104 T105 A110	D104-K108 WeakPolarHBondContact O-CG 3.49Å; D104-K108 PolarHBondContact O-N 3.24Å; D104-K108 VanDerWaalsContact O-N 3.16Å; T105-K108 PolarHBondContact O-N 3.42Å; T105-K108 VanDerWaalsContact O-N 3.13Å; K108-A110 VanDerWaalsContact C-N 3.32Å
109	D	86.5	Confident	85.5	Confident	127 Å²	127	74.5 Å²	74.5	68%	0.679	40%	0.4	S	S	*	.	H	α-helix	trans	-86	-8.7	-179.1	-61	-20.9	0	0	0	112.3	T105 K111	T105-D109 PolarHBondContact O-N 3.28Å; D109-K111 PolarHBondContact O-N 2.81Å
110	A	87.1	Confident	86.3	Confident	21 Å²	21	67.9 Å²	67.9	17%	0.174	36%	0.364	C	S	.	.			trans	-60	119.9	178.2	0	0	0	0	0	111.9	I94 V106 K108 L115	I94-A110 HydrophobicContact CD1-CB 3.39Å; V106-A110 VanDerWaalsContact O-CB 3.26Å; V106-A110 WeakPolarHBondContact O-CB 3.14Å; V106-A110 PolarHBondContact O-N 2.78Å; K108-A110 VanDerWaalsContact C-N 3.32Å; A110-L115 HydrophobicContact CB-CD2 4.01Å; A110-L115 HydrophobicContact CB-CG 4.5Å
111	K	87.3	Confident	87.1	Confident	117 Å²	117	73.4 Å²	73.4	51%	0.509	38%	0.381	S	S	.	.			trans	-81.9	148.7	169	-58.3	-179.5	-176.5	173.8	0	110.5	D109 E113 D114 L115	D109-K111 PolarHBondContact O-N 2.81Å; K111-E113 HydrophobicContact CB-CG 3.71Å; K111-E113 HydrophobicContact CD-CG 4.23Å; K111-E113 WeakPolarHBondContact CD-OE1 3.32Å; K111-E113 IonicContact NZ-OE1 3.49Å; K111-E113 PolarHBondContact O-N 2.96Å; K111-D114 PolarHBondContact O-N 3.46Å; K111-L115 PolarHBondContact O-N 3.27Å
112	P	84.8	Confident	88.1	Confident	108 Å²	108	69.5 Å²	69.5	70%	0.701	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-23.6	178	-25.4	34.5	0	0	0	114.8
113	E	86.8	Confident	88.5	Confident	91 Å²	91	66.7 Å²	66.7	43%	0.425	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-27.9	176.6	56.9	-165.7	-170.1	0	0	113.5	L4 K111	L4-E113 WeakPolarHBondContact CD1-O 3.45Å; L4-E113 WeakPolarHBondContact CG-O 3.33Å; K111-E113 HydrophobicContact CB-CG 3.71Å; K111-E113 HydrophobicContact CD-CG 4.23Å; K111-E113 WeakPolarHBondContact CD-OE1 3.32Å; K111-E113 IonicContact NZ-OE1 3.49Å; K111-E113 PolarHBondContact O-N 2.96Å
114	D	87.6	Confident	88.7	Confident	70 Å²	70	66.2 Å²	66.2	37%	0.374	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-9.5	179.1	-62.2	-41.2	0	0	0	112.6	I94 K111	I94-D114 HydrophobicContact CD1-CB 4.31Å; K111-D114 PolarHBondContact O-N 3.46Å
115	L	90.4	Very high	88.6	Confident	27 Å²	27	63 Å²	63	14%	0.141	31%	0.312	C	S	.	.			trans	-82.8	127.6	-179.8	-66.6	176.4	0	0	0	111.1	Q92 I94 W107 A110 K111	Q92-L115 HydrophobicContact CG-CD2 4.19Å; I94-L115 HydrophobicContact CB-CD2 4.17Å; I94-L115 HydrophobicContact CD1-CD2 4.24Å; W107-L115 HydrophobicContact CE3-CD2 4.32Å; W107-L115 HydrophobicContact CZ3-CD2 3.87Å; A110-L115 HydrophobicContact CB-CD2 4.01Å; A110-L115 HydrophobicContact CB-CG 4.5Å; K111-L115 PolarHBondContact O-N 3.27Å
116	M	93	Very high	88.2	Confident	9 Å²	9	64.5 Å²	64.5	4%	0.044	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	128.1	174.1	-65.7	159.5	-177	0	0	108.8	L4 D5 V7 Q92 T93 F95	L4-M116 HydrophobicContact CB-CE 3.75Å; L4-M116 HydrophobicContact CB-CG 3.61Å; L4-M116 HydrophobicContact CD1-CE 3.79Å; L4-M116 HydrophobicContact CG-CE 4.33Å; D5-M116 WeakPolarHBondContact O-CG 3.45Å; V7-M116 HydrophobicContact CB-SD 4.09Å; V7-M116 HydrophobicContact CG1-SD 3.8Å; Q92-M116 CarbonylContact C-O 3.57Å; Q92-M116 WeakPolarHBondContact CA-O 3.45Å; T93-M116 PolarHBondContact N-O 2.9Å; T93-M116 PolarHBondContact O-N 2.78Å; T93-M116 VanDerWaalsContact OG1-CB 3.26Å; T93-M116 WeakPolarHBondContact OG1-CB 3.34Å; T93-M116 PolarHBondContact OG1-O 2.81Å; F95-M116 HydrophobicContact CD2-CE 3.97Å; F95-M116 HydrophobicContact CE2-CE 3.54Å; F95-M116 HydrophobicContact CZ-CE 4.35Å
117	D	93.1	Very high	87.3	Confident	39 Å²	39	68.1 Å²	68.1	21%	0.209	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	128.5	-178.3	-60.2	-43.6	0	0	0	110.3	K3 M90 Q92	K3-D117 IonicContact NZ-OD2 2.83Å; K3-D117 PolarHBondContact NZ-OD2 2.78Å; M90-D117 HydrophobicContact CG-CB 4.31Å; M90-D117 HydrophobicContact SD-CB 4.26Å; Q92-D117 VanDerWaalsContact CG-OD1 3.29Å; Q92-D117 WeakPolarHBondContact CG-OD1 3.29Å; Q92-D117 PolarHBondContact NE2-OD1 3.48Å
118	S	93.6	Very high	86	Confident	24 Å²	24	69 Å²	69	17%	0.168	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	132.9	167.2	-175.8	0	0	0	0	110.4	L10 M90 V91	L10-S118 WeakPolarHBondContact CD2-OG 3.27Å; M90-S118 CarbonylContact C-O 3.55Å; M90-S118 VanDerWaalsContact CA-O 3.25Å; M90-S118 WeakPolarHBondContact CA-O 3.35Å; V91-S118 PolarHBondContact N-O 2.78Å; V91-S118 PolarHBondContact O-N 2.9Å
119	K	93.4	Very high	84.4	Confident	149 Å²	149	69.9 Å²	69.9	65%	0.648	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.5	129.3	-176.6	-66.8	179.1	-176.6	174.2	0	110.2	F89 M90	F89-K119 CarbonylContact O-C 3.58Å; F89-K119 WeakPolarHBondContact O-CA 3.44Å; M90-K119 HydrophobicContact CG-CG 4.29Å
120	L	93.7	Very high	82.5	Confident	1 Å²	1	71.2 Å²	71.2	1%	0.005	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	144.3	174.3	-51.1	93.9	0	0	0	110.6	L10 P12 S14 L31 K88 F89 V91	L10-L120 HydrophobicContact CD2-CD1 3.7Å; L10-L120 HydrophobicContact CD2-CD2 4.09Å; L10-L120 HydrophobicContact CD2-CG 4.13Å; P12-L120 WeakPolarHBondContact O-CD2 3.27Å; S14-L120 CarbonylContact O-C 3.53Å; S14-L120 WeakPolarHBondContact O-CA 3.22Å; L31-L120 HydrophobicContact CD1-CD2 3.79Å; L31-L120 HydrophobicContact CD2-CD1 4.49Å; L31-L120 HydrophobicContact CD2-CD2 4.48Å; K88-L120 CarbonylContact C-O 3.44Å; K88-L120 VanDerWaalsContact CA-O 3.31Å; K88-L120 WeakPolarHBondContact CA-O 3.26Å; F89-L120 HydrophobicContact CB-CB 4.3Å; F89-L120 HydrophobicContact CB-CD1 4.2Å; F89-L120 PolarHBondContact N-O 3.06Å; F89-L120 PolarHBondContact O-N 2.82Å; V91-L120 HydrophobicContact CG2-CD1 3.79Å
121	R	92.1	Very high	80.6	Confident	135 Å²	135	77 Å²	77	51%	0.509	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	142	171.3	-58.9	179	-64.5	-131.5	2.9	109.5	S14 D15 L16	S14-R121 PolarHBondContact O-N 3.22Å; D15-R121 CarbonylContact C-O 3.55Å; D15-R121 WeakPolarHBondContact CA-O 3.19Å; D15-R121 WeakPolarHBondContact OD1-CB 3.45Å; D15-R121 IonicContact OD1-CZ 2.75Å; D15-R121 IonicContact OD1-NE 3.71Å; D15-R121 PolarHBondContact OD1-NE 3.39Å; D15-R121 IonicContact OD1-NH2 3.3Å; D15-R121 PolarHBondContact OD1-NH2 3.1Å; D15-R121 IonicContact OD2-NH2 2.72Å; D15-R121 PolarHBondContact OD2-NH2 3.49Å; L16-R121 PolarHBondContact N-O 3.33Å
122	C	89.9	Confident	78.5	Confident	11 Å²	11	77.8 Å²	77.8	7%	0.074	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	131.2	168.4	-56.1	0	0	0	0	109	L16 F18 Y53 H87 F89 F124	L16-C122 WeakPolarHBondContact O-CA 3.26Å; F18-C122 HydrophobicContact CD2-CB 4.49Å; F18-C122 HydrophobicContact CE2-CB 4.09Å; Y53-C122 PolarHBondContact OH-SG 3.08Å; H87-C122 HydrophobicContact CB-CB 3.9Å; H87-C122 VanDerWaalsContact CB-SG 3.59Å; H87-C122 WeakPolarHBondContact O-CB 3.43Å; H87-C122 PolarHBondContact O-N 3.07Å; H87-C122 PolarHBondContact O-SG 2.68Å; H87-C122 VanDerWaalsContact O-SG 3.38Å; F89-C122 WeakPolarHBondContact CD2-SG 3.11Å; F89-C122 WeakPolarHBondContact CE2-SG 3.49Å; C122-F124 HydrophobicContact CB-CZ 4.41Å
123	V	87.8	Confident	76.6	Confident	47 Å²	47	76.2 Å²	76.2	29%	0.285	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	121.8	172.8	-176.9	0	0	0	0	107.1	D15 L16 R17 F18 E125	D15-V123 HydrophobicContact CB-CG2 4.15Å; L16-V123 PolarHBondContact O-N 3.3Å; R17-V123 WeakPolarHBondContact CA-O 3.24Å; R17-V123 HydrophobicContact CG-CB 4.1Å; F18-V123 PolarHBondContact N-O 3.18Å; V123-E125 HydrophobicContact CG1-CG 4.21Å
124	F	86.3	Confident	74.5	Confident	30 Å²	30	76.8 Å²	76.8	13%	0.132	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	117.2	177	-61.7	-63.4	0	0	0	107.8	F18 F23 Y53 L74 F77 Y79 H87 C122	F18-F124 HydrophobicContact CB-CD1 4.12Å; F18-F124 HydrophobicContact CD2-CD1 4.22Å; F18-F124 HydrophobicContact CD2-CE1 4.13Å; F18-F124 HydrophobicContact CG-CD1 4.39Å; F18-F124 HydrophobicContact CG-CE1 4.43Å; F23-F124 HydrophobicContact CE1-CB 4.4Å; F23-F124 AromaticContact CE1-CD1 3.94Å; F23-F124 HydrophobicContact CE1-CD1 3.94Å; F23-F124 HydrophobicContact CE2-CB 4.09Å; F23-F124 HydrophobicContact CZ-CB 3.61Å; F23-F124 AromaticContact CZ-CD1 3.97Å; F23-F124 HydrophobicContact CZ-CD1 3.97Å; F23-F124 HydrophobicContact CZ-CG 4.17Å; Y53-F124 WeakPolarHBondContact OH-CE1 3.33Å; Y53-F124 WeakPolarHBondContact OH-CZ 3.47Å; L74-F124 HydrophobicContact CD1-CE1 4Å; L74-F124 HydrophobicContact CD1-CZ 4.4Å; L74-F124 HydrophobicContact CD2-CD1 3.99Å; L74-F124 HydrophobicContact CD2-CE1 3.55Å; L74-F124 HydrophobicContact CG-CE1 4.42Å; F77-F124 HydrophobicContact CZ-CZ 4.39Å; Y79-F124 HydrophobicContact CE2-CB 3.73Å; Y79-F124 AromaticContact CE2-CD2 3.91Å; Y79-F124 HydrophobicContact CE2-CD2 3.91Å; Y79-F124 AromaticContact CE2-CG 3.98Å; Y79-F124 HydrophobicContact CE2-CG 3.98Å; H87-F124 AromaticContact CE1-CZ 3.99Å; H87-F124 AromaticContact ND1-CE2 3.87Å; H87-F124 AromaticContact ND1-CZ 3.43Å; H87-F124 WeakPolarHBondContact ND1-CZ 3.35Å; C122-F124 HydrophobicContact CB-CZ 4.41Å
125	E	81	Confident	72.4	Confident	48 Å²	48	83 Å²	83	22%	0.224	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	109.1	177.6	-70.5	176	-164.5	0	0	107.4	R17 F18 K19 V123	R17-E125 WeakPolarHBondContact CD-OE1 3.47Å; R17-E125 WeakPolarHBondContact CG-OE1 3.47Å; R17-E125 IonicContact CZ-OE1 2.64Å; R17-E125 IonicContact NE-OE1 3.3Å; R17-E125 IonicContact NH1-OE1 3.67Å; R17-E125 PolarHBondContact NH1-OE1 2.72Å; F18-E125 PolarHBondContact O-N 2.91Å; F18-E125 VanDerWaalsContact O-N 3.09Å; K19-E125 WeakPolarHBondContact CE-OE2 3.34Å; K19-E125 HydrophobicContact CG-CB 4.41Å; K19-E125 WeakPolarHBondContact CG-OE2 3.3Å; K19-E125 IonicContact NZ-OE2 2.68Å; V123-E125 HydrophobicContact CG1-CG 4.21Å
126	L	75.5	Confident	70	Confident	84 Å²	84	90.2 Å²	90.2	44%	0.44	46%	0.459	S	S	.	.			trans	-77.8	138.4	167.1	-68.9	92.1	0	0	0	107.7	F23 Y79 S128	F23-L126 HydrophobicContact CE2-CD1 3.86Å; F23-L126 HydrophobicContact CE2-CD2 4.45Å; F23-L126 HydrophobicContact CE2-CG 3.81Å; Y79-L126 HydrophobicContact CD1-CD1 3.84Å; Y79-L126 HydrophobicContact CD1-CD2 4.1Å; Y79-L126 HydrophobicContact CD1-CG 4.47Å; Y79-L126 HydrophobicContact CE1-CD1 3.28Å; Y79-L126 HydrophobicContact CE1-CD2 4.27Å; Y79-L126 HydrophobicContact CE1-CG 4.34Å; L126-S128 PolarHBondContact O-N 3.3Å
127	P	69.1	Low	67.5	Low	81 Å²	81	95.3 Å²	95.3	53%	0.526	49%	0.491	S	S	.	.			trans	-60.6	113.1	167.5	25.7	-30.1	0	0	0	107	G21 E129	G21-P127 VanDerWaalsContact N-CD 3.28Å; P127-E129 PolarHBondContact O-N 2.8Å
128	S	59	Low	65.1	Low	61 Å²	61	98.7 Å²	98.7	43%	0.427	51%	0.513	S	S	.	.			trans	-56.8	138	167.6	-41.8	0	0	0	0	107.6	L126 N130 E131	L126-S128 PolarHBondContact O-N 3.3Å; S128-N130 PolarHBondContact O-N 3.26Å; S128-E131 PolarHBondContact O-N 2.83Å
129	E	54.3	Low	63	Low	188 Å²	188	105.8 Å²	105.8	88%	0.879	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-11.9	173.5	-55.9	-176	179.4	0	0	112.5	P127	P127-E129 PolarHBondContact O-N 2.8Å
130	N	47.7	Very low	60.2	Low	155 Å²	155	104.6 Å²	104.6	83%	0.829	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-0.3	175	-65.7	-30	0	0	0	115.1	S128	S128-N130 PolarHBondContact O-N 3.26Å
131	E	46.2	Very low	57.4	Low	141 Å²	141	108.5 Å²	108.5	66%	0.659	58%	0.576	S	S	*	*			trans	-117.3	36.7	-179.7	-69.4	-170.5	175.5	0	0	113.1	S128 N133	S128-E131 PolarHBondContact O-N 2.83Å; E131-N133 PolarHBondContact O-N 3.35Å
132	V	44.1	Very low	54.9	Low	134 Å²	134	108.5 Å²	108.5	81%	0.812	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	20.2	157.4	-126.6	0	0	0	0	112
133	N	43.7	Very low	52.1	Low	75 Å²	75	114.3 Å²	114.3	40%	0.401	63%	0.628	S	S	.	*	T	Hydrogen-bonded Turn	trans	-143.2	12.5	-160.7	-122.2	19.8	0	0	0	118.4	E131 R139	E131-N133 PolarHBondContact O-N 3.35Å; N133-R139 VanDerWaalsContact CG-CD 3.4Å; N133-R139 WeakPolarHBondContact ND2-CD 3.32Å; N133-R139 PolarHBondContact ND2-NH1 3.18Å; N133-R139 VanDerWaalsContact OD1-CD 3.24Å; N133-R139 WeakPolarHBondContact OD1-CD 3.29Å; N133-R139 PolarHBondContact OD1-NE 3.38Å; N133-R139 PolarHBondContact OD1-NH1 2.84Å
134	D	43.1	Very low	49.7	Very low	104 Å²	104	120.6 Å²	120.6	56%	0.556	66%	0.657	S	S	*	*	S	Bend	trans	-153	66.3	164.3	-135	4.2	0	0	0	115	T138	D134-T138 PolarHBondContact OD1-N 2.9Å
135	M	44.3	Very low	47.1	Very low	199 Å²	199	126.2 Å²	126.2	98%	0.98	69%	0.688	S	S	*	*	S	Bend	trans	-151.1	66.1	137.4	-137.9	164.8	88.7	0	0	104.3
136	E	40.2	Very low	44.6	Very low	180 Å²	180	129.3 Å²	129.3	84%	0.841	72%	0.715	S	S	*	*	S	Bend		-146.4	113.5	93.1	-169.2	172.5	176.7	0	0	111.6
137	V	40	Very low	42.6	Very low	116 Å²	116	133.2 Å²	133.2	70%	0.703	74%	0.735	S	S	*	*	S	Bend	trans	54	93.2	163.6	-169.9	0	0	0	0	116.6
138	T	41.8	Very low	41.1	Very low	109 Å²	109	138.4 Å²	138.4	67%	0.669	75%	0.75	S	S	*	*			trans	52.3	85	139.5	-46.4	0	0	0	0	114.2	D134	D134-T138 PolarHBondContact OD1-N 2.9Å
139	R	49.1	Very low	39.7	Very low	174 Å²	174	140.6 Å²	140.6	66%	0.657	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-103.4	134.4	158	-71.4	176.8	177.7	-170.1	-1.2	109.9	N133	N133-R139 VanDerWaalsContact CG-CD 3.4Å; N133-R139 WeakPolarHBondContact ND2-CD 3.32Å; N133-R139 PolarHBondContact ND2-NH1 3.18Å; N133-R139 VanDerWaalsContact OD1-CD 3.24Å; N133-R139 WeakPolarHBondContact OD1-CD 3.29Å; N133-R139 PolarHBondContact OD1-NE 3.38Å; N133-R139 PolarHBondContact OD1-NH1 2.84Å
140	P	35.1	Very low	38.6	Very low	123 Å²	123	140.7 Å²	140.7	80%	0.799	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-92.2	143.2	145.2	21.2	-5.5	0	0	0	110.2
141	A	35.7	Very low	38.5	Very low	84 Å²	84	138.3 Å²	138.3	69%	0.694	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-57.3	164.7	-177	0	0	0	0	0	115.4	V143	A141-V143 PolarHBondContact O-N 3.36Å
142	P	38.3	Very low	37.6	Very low	134 Å²	134	138.9 Å²	138.9	87%	0.87	77%	0.771	S	S	*	*			trans	-79.7	113.5	172.1	32.2	-28.8	0	0	0	109.9
143	V	31.6	Very low	37	Very low	134 Å²	134	137 Å²	137	81%	0.812	77%	0.77	S	S	*	*			trans	-91.1	110.8	165.2	-176.6	0	0	0	0	107.6	A141 N145	A141-V143 PolarHBondContact O-N 3.36Å; V143-N145 PolarHBondContact O-N 3.35Å
144	M	38.4	Very low	36.4	Very low	179 Å²	179	138 Å²	138	88%	0.882	79%	0.788	S	S	*	*			trans	-78.4	107.7	164.5	-176.3	173.1	-75.1	0	0	107.9
145	N	30.8	Very low	35.8	Very low	148 Å²	148	138 Å²	138	79%	0.791	80%	0.803	S	S	*	*			trans	-154.2	110.1	150.5	-117	4.2	0	0	0	109.1	V143	V143-N145 PolarHBondContact O-N 3.35Å
146	S	29.8	Very low	35.3	Very low	112 Å²	112	133.4 Å²	133.4	78%	0.783	80%	0.797	S	S	*	*			trans	-94.6	106.2	170.6	168.3	0	0	0	0	108.4
147	L	33.3	Very low	35.5	Very low	167 Å²	167	130.3 Å²	130.3	87%	0.874	80%	0.802	S	S	*	*			trans	-124.8	135.5	154.4	-82	168.7	0	0	0	108.6
148	K	36.1	Very low	35.5	Very low	190 Å²	190	128.4 Å²	128.4	83%	0.826	81%	0.806	S	S	*	*			trans	-66.8	152.9	-165.7	-75.2	172.3	169	176.5	0	115
149	S	31.4	Very low	35.9	Very low	107 Å²	107	127.5 Å²	127.5	75%	0.748	80%	0.797	S	S	*	*			trans	80.9	114.6	135.5	54.5	0	0	0	0	122.5
150	E	29.6	Very low	36.3	Very low	190 Å²	190	124.1 Å²	124.1	89%	0.888	79%	0.792	S	S	*	*				94.2	151.5	128.8	-84.3	-158.8	156.6	0	0	122.1
151	P	46	Very low	37.5	Very low	104 Å²	104	122.5 Å²	122.5	68%	0.675	78%	0.78	S	S	*	*				-121.7	161.2	-121.8	42	-30.7	0	0	0	115.2
152	T	27.8	Very low	39	Very low	153 Å²	153	122.1 Å²	122.1	94%	0.939	77%	0.766	S	S	*	*			trans	-156.3	145.1	149.1	-22.6	0	0	0	0	113.3
153	A	31.6	Very low	40	Very low	95 Å²	95	119.2 Å²	119.2	79%	0.785	75%	0.749	S	S	*	*			trans	-75.8	154.5	-165.6	0	0	0	0	0	116.3
154	A	30.5	Very low	41.7	Very low	95 Å²	95	118.8 Å²	118.8	79%	0.785	74%	0.736	S	S	*	*				163.7	125.8	106.9	0	0	0	0	0	113.7
155	A	31.5	Very low	43.6	Very low	104 Å²	104	116.4 Å²	116.4	86%	0.86	72%	0.721	S	S	*	*			trans	56.9	114.4	143.9	0	0	0	0	0	122.1
156	A	32.9	Very low	45.5	Very low	104 Å²	104	114.7 Å²	114.7	86%	0.86	71%	0.711	S	S	*	*				-175.9	126.1	105.8	0	0	0	0	0	110.6
157	A	43.5	Very low	47.7	Very low	114 Å²	114	114.1 Å²	114.1	94%	0.942	70%	0.703	S	S	*	*			trans	-79.9	132	179.3	0	0	0	0	0	111.2
158	G	40	Very low	50	Low	76 Å²	76	111 Å²	111	78%	0.784	68%	0.684	S	S	*	*			trans	-173.8	99.9	174.2	0	0	0	0	0	111.9
159	D	50.7	Low	52.1	Low	91 Å²	91	108.8 Å²	108.8	49%	0.487	67%	0.674	S	S	.	*			trans	71.3	75.1	157.7	-155.8	13.2	0	0	0	120.7	T161 D162	D159-T161 VanDerWaalsContact C-N 3.35Å; D159-T161 PolarHBondContact OD1-N 3.19Å; D159-D162 PolarHBondContact OD1-N 3.4Å; D159-D162 VanDerWaalsContact OD2-CB 3.27Å; D159-D162 WeakPolarHBondContact OD2-CB 3.31Å; D159-D162 VanDerWaalsContact OD2-OD2 3.07Å
160	D	58.1	Low	54.1	Low	102 Å²	102	107.3 Å²	107.3	55%	0.545	66%	0.663	S	S	.	*	H	α-helix	trans	-79.6	-12.7	169.9	-176.6	50.6	0	0	0	113.1	K164	D160-K164 WeakPolarHBondContact O-CD 3.46Å; D160-K164 WeakPolarHBondContact O-CG 3.39Å; D160-K164 PolarHBondContact O-N 2.93Å; D160-K164 WeakPolarHBondContact OD1-CE 3.35Å; D160-K164 IonicContact OD1-NZ 2.89Å; D160-K164 WeakPolarHBondContact OD2-CE 3.33Å; D160-K164 IonicContact OD2-NZ 3.9Å; D160-K164 PolarHBondContact OD2-NZ 2.9Å
161	T	60.5	Low	56.9	Low	90 Å²	90	106.1 Å²	106.1	55%	0.552	66%	0.655	S	S	*	*	H	α-helix	trans	-84.8	-42.4	-173.8	-45.8	0	0	0	0	111.5	D159 K164 K165	D159-T161 VanDerWaalsContact C-N 3.35Å; D159-T161 PolarHBondContact OD1-N 3.19Å; T161-K164 PolarHBondContact O-N 3.37Å; T161-K165 PolarHBondContact O-N 3.05Å
162	D	67	Low	58.8	Low	76 Å²	76	108.8 Å²	108.8	41%	0.406	65%	0.652	S	S	.	*	H	α-helix	trans	-75.3	-34.8	178.7	-69.2	-18.7	0	0	0	111.4	D159 K164 K165 L166	D159-D162 PolarHBondContact OD1-N 3.4Å; D159-D162 VanDerWaalsContact OD2-CB 3.27Å; D159-D162 WeakPolarHBondContact OD2-CB 3.31Å; D159-D162 VanDerWaalsContact OD2-OD2 3.07Å; D162-K164 VanDerWaalsContact C-N 3.31Å; D162-K164 PolarHBondContact O-N 3.3Å; D162-K165 PolarHBondContact O-N 3.42Å; D162-L166 HydrophobicContact CB-CD1 4.3Å; D162-L166 WeakPolarHBondContact O-CB 3.36Å; D162-L166 WeakPolarHBondContact O-CD1 3.18Å; D162-L166 PolarHBondContact O-N 2.82Å
163	S	58	Low	61.5	Low	73 Å²	73	105.5 Å²	105.5	51%	0.51	63%	0.628	S	S	.	*	H	α-helix	trans	-56.8	-42.5	171.2	-89.1	0	0	0	0	112.6	L166 V167	S163-L166 PolarHBondContact O-N 2.84Å; S163-V167 WeakPolarHBondContact O-CB 3.47Å; S163-V167 VanDerWaalsContact O-CG2 3.22Å; S163-V167 WeakPolarHBondContact O-CG2 3.42Å; S163-V167 PolarHBondContact O-N 3.09Å
164	K	68.6	Low	63.9	Low	125 Å²	125	106.7 Å²	106.7	54%	0.543	62%	0.617	S	S	.	*	H	α-helix	trans	-65.5	-42.4	176.7	-75.8	171	179.3	164.4	0	112.4	D160 T161 D162 V167 E168	D160-K164 WeakPolarHBondContact O-CD 3.46Å; D160-K164 WeakPolarHBondContact O-CG 3.39Å; D160-K164 PolarHBondContact O-N 2.93Å; D160-K164 WeakPolarHBondContact OD1-CE 3.35Å; D160-K164 IonicContact OD1-NZ 2.89Å; D160-K164 WeakPolarHBondContact OD2-CE 3.33Å; D160-K164 IonicContact OD2-NZ 3.9Å; D160-K164 PolarHBondContact OD2-NZ 2.9Å; T161-K164 PolarHBondContact O-N 3.37Å; D162-K164 VanDerWaalsContact C-N 3.31Å; D162-K164 PolarHBondContact O-N 3.3Å; K164-V167 PolarHBondContact O-N 2.77Å; K164-E168 WeakPolarHBondContact O-CB 3.47Å; K164-E168 PolarHBondContact O-N 2.82Å
165	K	77.8	Confident	66.6	Low	129 Å²	129	105.6 Å²	105.6	56%	0.561	60%	0.604	S	S	*	*	H	α-helix	trans	-65	-39.9	175.5	-74.1	177.7	-176.1	166.9	0	112.3	T161 D162 E168 K169	T161-K165 PolarHBondContact O-N 3.05Å; D162-K165 PolarHBondContact O-N 3.42Å; K165-E168 PolarHBondContact O-N 3.45Å; K165-K169 WeakPolarHBondContact O-CB 3.27Å; K165-K169 PolarHBondContact O-N 3.11Å
166	L	71.1	Confident	69.3	Low	112 Å²	112	106 Å²	106	59%	0.586	59%	0.588	S	S	*	*	H	α-helix	trans	-64	-44.8	176	-92.2	86.6	0	0	0	111.1	D162 S163 E168 K169 C170	D162-L166 HydrophobicContact CB-CD1 4.3Å; D162-L166 WeakPolarHBondContact O-CB 3.36Å; D162-L166 WeakPolarHBondContact O-CD1 3.18Å; D162-L166 PolarHBondContact O-N 2.82Å; S163-L166 PolarHBondContact O-N 2.84Å; L166-E168 VanDerWaalsContact C-N 3.33Å; L166-E168 PolarHBondContact O-N 3.38Å; L166-K169 PolarHBondContact O-N 2.88Å; L166-C170 WeakPolarHBondContact O-CB 3.31Å; L166-C170 PolarHBondContact O-N 2.8Å; L166-C170 PolarHBondContact O-SG 3.27Å
167	V	76.3	Confident	71.6	Confident	99 Å²	99	106 Å²	106	60%	0.6	57%	0.573	S	S	*	*	H	α-helix	trans	-62.3	-41.9	177.1	170.3	0	0	0	0	111.2	S163 K164 C170 K171	S163-V167 WeakPolarHBondContact O-CB 3.47Å; S163-V167 VanDerWaalsContact O-CG2 3.22Å; S163-V167 WeakPolarHBondContact O-CG2 3.42Å; S163-V167 PolarHBondContact O-N 3.09Å; K164-V167 PolarHBondContact O-N 2.77Å; V167-C170 PolarHBondContact O-N 3.05Å; V167-K171 WeakPolarHBondContact O-CB 3.14Å; V167-K171 PolarHBondContact O-N 3.48Å
168	E	80.4	Confident	73.6	Confident	103 Å²	103	105.3 Å²	105.3	48%	0.481	55%	0.553	S	S	.	*	H	α-helix	trans	-67.8	-39.2	178.3	-156.7	-175.3	157.1	0	0	112.1	K164 K165 L166 K171 R172	K164-E168 WeakPolarHBondContact O-CB 3.47Å; K164-E168 PolarHBondContact O-N 2.82Å; K165-E168 PolarHBondContact O-N 3.45Å; L166-E168 VanDerWaalsContact C-N 3.33Å; L166-E168 PolarHBondContact O-N 3.38Å; E168-K171 PolarHBondContact O-N 2.85Å; E168-R172 WeakPolarHBondContact O-CG 3.38Å; E168-R172 PolarHBondContact O-N 3.18Å; E168-R172 IonicContact OE1-CZ 3.28Å; E168-R172 IonicContact OE1-NE 3.61Å; E168-R172 IonicContact OE1-NH2 3.85Å; E168-R172 PolarHBondContact OE1-NH2 3.48Å
169	K	81.3	Confident	76.1	Confident	142 Å²	142	107.8 Å²	107.8	62%	0.617	54%	0.542	S	S	*	.	H	α-helix	trans	-66.6	-41.9	175	-165.5	174.7	-177.8	179.9	0	111.8	K165 L166 K171 R172 L173	K165-K169 WeakPolarHBondContact O-CB 3.27Å; K165-K169 PolarHBondContact O-N 3.11Å; L166-K169 PolarHBondContact O-N 2.88Å; K169-K171 VanDerWaalsContact C-N 3.33Å; K169-K171 PolarHBondContact O-N 2.91Å; K169-R172 PolarHBondContact O-N 3.42Å; K169-L173 HydrophobicContact CG-CD1 4.27Å; K169-L173 WeakPolarHBondContact O-CG 3.34Å; K169-L173 PolarHBondContact O-N 2.89Å
170	C	73.7	Confident	77.7	Confident	77 Å²	77	107.4 Å²	107.4	52%	0.52	54%	0.54	S	S	.	.	H	α-helix	trans	-59.5	-43.9	172.5	-81.7	0	0	0	0	111.3	L166 V167 R172 L173 Q174	L166-C170 WeakPolarHBondContact O-CB 3.31Å; L166-C170 PolarHBondContact O-N 2.8Å; L166-C170 PolarHBondContact O-SG 3.27Å; V167-C170 PolarHBondContact O-N 3.05Å; C170-R172 VanDerWaalsContact C-N 3.34Å; C170-R172 PolarHBondContact O-N 3.44Å; C170-L173 PolarHBondContact O-N 2.85Å; C170-Q174 VanDerWaalsContact O-CB 3.29Å; C170-Q174 WeakPolarHBondContact O-CB 3.48Å; C170-Q174 PolarHBondContact O-N 2.82Å
171	K	86.9	Confident	79.3	Confident	165 Å²	165	106.2 Å²	106.2	72%	0.717	54%	0.539	S	S	*	.	H	α-helix	trans	-62.8	-40.2	178	-168.9	177.2	-178.8	-179.8	0	112.3	V167 E168 K169 S175	V167-K171 WeakPolarHBondContact O-CB 3.14Å; V167-K171 PolarHBondContact O-N 3.48Å; E168-K171 PolarHBondContact O-N 2.85Å; K169-K171 VanDerWaalsContact C-N 3.33Å; K169-K171 PolarHBondContact O-N 2.91Å; K171-S175 PolarHBondContact O-N 2.87Å; K171-S175 VanDerWaalsContact O-N 3.12Å
172	R	87.5	Confident	80.7	Confident	160 Å²	160	106.3 Å²	106.3	60%	0.604	53%	0.533	S	S	*	.	H	α-helix	trans	-65.5	-48.7	175.6	-71.1	178.1	-168.4	-165.3	5.3	111.6	E168 K169 C170 Q174 S175 E176	E168-R172 WeakPolarHBondContact O-CG 3.38Å; E168-R172 PolarHBondContact O-N 3.18Å; E168-R172 IonicContact OE1-CZ 3.28Å; E168-R172 IonicContact OE1-NE 3.61Å; E168-R172 IonicContact OE1-NH2 3.85Å; E168-R172 PolarHBondContact OE1-NH2 3.48Å; K169-R172 PolarHBondContact O-N 3.42Å; C170-R172 VanDerWaalsContact C-N 3.34Å; C170-R172 PolarHBondContact O-N 3.44Å; R172-Q174 VanDerWaalsContact C-N 3.3Å; R172-Q174 PolarHBondContact O-N 2.87Å; R172-S175 PolarHBondContact O-N 3.05Å; R172-S175 VanDerWaalsContact O-N 3.11Å; R172-S175 PolarHBondContact O-OG 2.96Å; R172-E176 PolarHBondContact O-N 2.9Å
173	L	82.8	Confident	81.6	Confident	84 Å²	84	106.6 Å²	106.6	44%	0.44	53%	0.532	S	S	.	.	H	α-helix	trans	-61.5	-38.7	177.2	-71.9	169.5	0	0	0	111.9	K169 C170 S175 E176 I177	K169-L173 HydrophobicContact CG-CD1 4.27Å; K169-L173 WeakPolarHBondContact O-CG 3.34Å; K169-L173 PolarHBondContact O-N 2.89Å; C170-L173 PolarHBondContact O-N 2.85Å; L173-S175 VanDerWaalsContact C-N 3.31Å; L173-S175 PolarHBondContact O-N 3.26Å; L173-E176 PolarHBondContact O-N 3.29Å; L173-I177 WeakPolarHBondContact O-CG1 3.36Å; L173-I177 PolarHBondContact O-N 2.94Å
174	Q	82.1	Confident	82.4	Confident	119 Å²	119	108.1 Å²	108.1	56%	0.556	53%	0.534	S	S	*	.	H	α-helix	trans	-60.1	-41.9	174.6	-163.6	95.2	43.8	0	0	111.6	C170 R172 E176 N178	C170-Q174 VanDerWaalsContact O-CB 3.29Å; C170-Q174 WeakPolarHBondContact O-CB 3.48Å; C170-Q174 PolarHBondContact O-N 2.82Å; R172-Q174 VanDerWaalsContact C-N 3.3Å; R172-Q174 PolarHBondContact O-N 2.87Å; Q174-E176 VanDerWaalsContact C-N 3.34Å; Q174-N178 VanDerWaalsContact O-CG 3.28Å; Q174-N178 PolarHBondContact O-N 3.26Å; Q174-N178 VanDerWaalsContact O-N 3.09Å; Q174-N178 PolarHBondContact O-ND2 3.43Å
175	S	88.8	Confident	83.3	Confident	73 Å²	73	109 Å²	109	51%	0.51	53%	0.534	S	S	.	.	H	α-helix	trans	-67.1	-35.9	177	72.2	0	0	0	0	112.6	K171 R172 L173 N178 K179	K171-S175 PolarHBondContact O-N 2.87Å; K171-S175 VanDerWaalsContact O-N 3.12Å; R172-S175 PolarHBondContact O-N 3.05Å; R172-S175 VanDerWaalsContact O-N 3.11Å; R172-S175 PolarHBondContact O-OG 2.96Å; L173-S175 VanDerWaalsContact C-N 3.31Å; L173-S175 PolarHBondContact O-N 3.26Å; S175-N178 PolarHBondContact O-N 2.92Å; S175-K179 WeakPolarHBondContact O-CB 3.19Å; S175-K179 PolarHBondContact O-N 3.4Å
176	E	87.3	Confident	83.8	Confident	112 Å²	112	108.1 Å²	108.1	52%	0.523	53%	0.532	S	S	.	.	H	α-helix	trans	-71.7	-40.6	179	-165.9	167	-160.7	0	0	111.8	R172 L173 Q174 N178 K179 L180	R172-E176 PolarHBondContact O-N 2.9Å; L173-E176 PolarHBondContact O-N 3.29Å; Q174-E176 VanDerWaalsContact C-N 3.34Å; E176-N178 VanDerWaalsContact C-N 3.35Å; E176-N178 PolarHBondContact O-N 3.45Å; E176-K179 PolarHBondContact O-N 3.28Å; E176-L180 HydrophobicContact CG-CD1 4.07Å; E176-L180 WeakPolarHBondContact O-CB 3.38Å; E176-L180 PolarHBondContact O-N 2.92Å
177	I	81.1	Confident	84.4	Confident	105 Å²	105	108.6 Å²	108.6	54%	0.538	54%	0.535	S	S	.	.	H	α-helix	trans	-60.1	-45	172.2	-71.2	167.3	0	0	0	110.8	L173 K179 L180 S181	L173-I177 WeakPolarHBondContact O-CG1 3.36Å; L173-I177 PolarHBondContact O-N 2.94Å; I177-K179 VanDerWaalsContact C-N 3.34Å; I177-K179 PolarHBondContact O-N 2.82Å; I177-L180 PolarHBondContact O-N 2.79Å; I177-S181 WeakPolarHBondContact O-CB 3.49Å; I177-S181 PolarHBondContact O-N 3.02Å
178	N	84.9	Confident	84.7	Confident	98 Å²	98	111.4 Å²	111.4	52%	0.524	54%	0.539	S	S	.	.	H	α-helix	trans	-62.8	-42.4	177.7	-73.2	-15.6	0	0	0	111.4	Q174 S175 E176 S181 E182	Q174-N178 VanDerWaalsContact O-CG 3.28Å; Q174-N178 PolarHBondContact O-N 3.26Å; Q174-N178 VanDerWaalsContact O-N 3.09Å; Q174-N178 PolarHBondContact O-ND2 3.43Å; S175-N178 PolarHBondContact O-N 2.92Å; E176-N178 VanDerWaalsContact C-N 3.35Å; E176-N178 PolarHBondContact O-N 3.45Å; N178-S181 PolarHBondContact O-N 2.92Å; N178-E182 WeakPolarHBondContact O-CB 3.39Å; N178-E182 PolarHBondContact O-N 3.03Å
179	K	93.3	Very high	84.7	Confident	129 Å²	129	111.3 Å²	111.3	56%	0.561	54%	0.542	S	S	*	.	H	α-helix	trans	-64.3	-48.8	177.6	-173.1	-176.3	174.5	-163.9	0	112	S175 E176 I177 S181 E182 E183	S175-K179 WeakPolarHBondContact O-CB 3.19Å; S175-K179 PolarHBondContact O-N 3.4Å; E176-K179 PolarHBondContact O-N 3.28Å; I177-K179 VanDerWaalsContact C-N 3.34Å; I177-K179 PolarHBondContact O-N 2.82Å; K179-S181 VanDerWaalsContact C-N 3.3Å; K179-S181 PolarHBondContact O-N 3.28Å; K179-E182 PolarHBondContact O-N 2.96Å; K179-E183 WeakPolarHBondContact CE-OE1 3.46Å; K179-E183 IonicContact NZ-OE1 3.32Å; K179-E183 WeakPolarHBondContact O-CG 3.46Å; K179-E183 PolarHBondContact O-N 2.78Å
180	L	85.1	Confident	84.6	Confident	83 Å²	83	108.6 Å²	108.6	44%	0.435	53%	0.531	S	S	.	.	H	α-helix	trans	-64.2	-34.5	177.6	-82.7	159.8	0	0	0	112.5	E176 I177 N184	E176-L180 HydrophobicContact CG-CD1 4.07Å; E176-L180 WeakPolarHBondContact O-CB 3.38Å; E176-L180 PolarHBondContact O-N 2.92Å; I177-L180 PolarHBondContact O-N 2.79Å; L180-N184 WeakPolarHBondContact O-CB 3.48Å; L180-N184 PolarHBondContact O-N 3.09Å; L180-N184 PolarHBondContact O-ND2 2.89Å
181	S	90.1	Very high	84.7	Confident	76 Å²	76	106.7 Å²	106.7	53%	0.531	53%	0.525	S	S	.	.	H	α-helix	trans	-65.3	-42.2	173.7	-176.5	0	0	0	0	111.1	I177 N178 K179 N184 R185	I177-S181 WeakPolarHBondContact O-CB 3.49Å; I177-S181 PolarHBondContact O-N 3.02Å; N178-S181 PolarHBondContact O-N 2.92Å; K179-S181 VanDerWaalsContact C-N 3.3Å; K179-S181 PolarHBondContact O-N 3.28Å; S181-N184 PolarHBondContact O-N 3.43Å; S181-R185 WeakPolarHBondContact O-CB 3.45Å; S181-R185 PolarHBondContact O-N 3.06Å
182	E	91.1	Very high	83.9	Confident	93 Å²	93	102.7 Å²	102.7	44%	0.435	51%	0.514	S	S	.	.	H	α-helix	trans	-68.6	-40.4	176.8	-173.1	150.2	-135.6	0	0	112.6	N178 K179 R185 Q186	N178-E182 WeakPolarHBondContact O-CB 3.39Å; N178-E182 PolarHBondContact O-N 3.03Å; K179-E182 PolarHBondContact O-N 2.96Å; E182-R185 WeakPolarHBondContact O-CB 3.5Å; E182-R185 PolarHBondContact O-N 2.92Å; E182-R185 IonicContact OE1-NH2 2.66Å; E182-R185 PolarHBondContact OE1-NH2 2.83Å; E182-Q186 WeakPolarHBondContact O-CG 3.27Å; E182-Q186 PolarHBondContact O-N 2.57Å
183	E	85.1	Confident	83.2	Confident	82 Å²	82	100.5 Å²	100.5	38%	0.383	51%	0.506	S	S	.	.	H	α-helix	trans	-62.5	-42.6	171.9	-73.6	178	-171.1	0	0	111.6	K179 R185 Q186 L187	K179-E183 WeakPolarHBondContact CE-OE1 3.46Å; K179-E183 IonicContact NZ-OE1 3.32Å; K179-E183 WeakPolarHBondContact O-CG 3.46Å; K179-E183 PolarHBondContact O-N 2.78Å; E183-R185 VanDerWaalsContact C-N 3.33Å; E183-R185 PolarHBondContact O-N 3.05Å; E183-Q186 PolarHBondContact O-N 3.26Å; E183-L187 WeakPolarHBondContact O-CB 3.38Å; E183-L187 WeakPolarHBondContact O-CG 3.48Å; E183-L187 PolarHBondContact O-N 3.23Å
184	N	74.5	Confident	82.3	Confident	104 Å²	104	102 Å²	102	56%	0.556	51%	0.512	S	S	*	.	H	α-helix	trans	-62.4	-39.7	174.2	-93.8	-64.9	0	0	0	112.4	L180 S181 K188	L180-N184 WeakPolarHBondContact O-CB 3.48Å; L180-N184 PolarHBondContact O-N 3.09Å; L180-N184 PolarHBondContact O-ND2 2.89Å; S181-N184 PolarHBondContact O-N 3.43Å; N184-K188 VanDerWaalsContact O-CB 3.27Å; N184-K188 WeakPolarHBondContact O-CB 3.43Å; N184-K188 PolarHBondContact O-N 3.5Å
185	R	89	Confident	81.6	Confident	144 Å²	144	105.2 Å²	105.2	54%	0.543	52%	0.519	S	S	.	.	H	α-helix	trans	-61.9	-46.3	174.6	-176.8	176.4	64.8	160.1	-1.3	110.8	S181 E182 E183 K188 D189	S181-R185 WeakPolarHBondContact O-CB 3.45Å; S181-R185 PolarHBondContact O-N 3.06Å; E182-R185 WeakPolarHBondContact O-CB 3.5Å; E182-R185 PolarHBondContact O-N 2.92Å; E182-R185 IonicContact OE1-NH2 2.66Å; E182-R185 PolarHBondContact OE1-NH2 2.83Å; E183-R185 VanDerWaalsContact C-N 3.33Å; E183-R185 PolarHBondContact O-N 3.05Å; R185-K188 PolarHBondContact O-N 3.32Å; R185-D189 PolarHBondContact O-N 2.79Å
186	Q	88.4	Confident	80.3	Confident	111 Å²	111	109.7 Å²	109.7	52%	0.519	53%	0.529	S	S	.	.	H	α-helix	trans	-63.8	-43.8	177.9	-71.5	176.2	27	0	0	112.3	E182 E183 K188 D189 E190	E182-Q186 WeakPolarHBondContact O-CG 3.27Å; E182-Q186 PolarHBondContact O-N 2.57Å; E183-Q186 PolarHBondContact O-N 3.26Å; Q186-K188 VanDerWaalsContact C-N 3.3Å; Q186-K188 PolarHBondContact O-N 3.36Å; Q186-D189 PolarHBondContact O-N 2.76Å; Q186-E190 WeakPolarHBondContact O-CB 3.46Å; Q186-E190 WeakPolarHBondContact O-CG 3Å; Q186-E190 PolarHBondContact O-N 3.48Å
187	L	82.4	Confident	78.8	Confident	122 Å²	122	110.4 Å²	110.4	64%	0.639	53%	0.534	S	S	*	.	H	α-helix	trans	-64	-36.3	176.4	-74.2	171.4	0	0	0	112.1	E183 G191	E183-L187 WeakPolarHBondContact O-CB 3.38Å; E183-L187 WeakPolarHBondContact O-CG 3.48Å; E183-L187 PolarHBondContact O-N 3.23Å; L187-G191 PolarHBondContact O-N 3.45Å
188	K	82.3	Confident	77.5	Confident	158 Å²	158	113.3 Å²	113.3	69%	0.687	55%	0.545	S	S	*	.	H	α-helix	trans	-66	-43.1	175	-166.4	175	-177.4	-179.7	0	111.1	N184 R185 Q186 G191 V192	N184-K188 VanDerWaalsContact O-CB 3.27Å; N184-K188 WeakPolarHBondContact O-CB 3.43Å; N184-K188 PolarHBondContact O-N 3.5Å; R185-K188 PolarHBondContact O-N 3.32Å; Q186-K188 VanDerWaalsContact C-N 3.3Å; Q186-K188 PolarHBondContact O-N 3.36Å; K188-G191 PolarHBondContact O-N 3.43Å; K188-V192 VanDerWaalsContact O-CG2 3.31Å; K188-V192 WeakPolarHBondContact O-CG2 3.34Å; K188-V192 PolarHBondContact O-N 3.22Å
189	D	81.4	Confident	75.6	Confident	101 Å²	101	116.2 Å²	116.2	54%	0.54	56%	0.556	S	S	.	*	H	α-helix	trans	-67.9	-40.8	176.9	-72	-16.6	0	0	0	112.1	R185 Q186 V192 R193	R185-D189 PolarHBondContact O-N 2.79Å; Q186-D189 PolarHBondContact O-N 2.76Å; D189-V192 PolarHBondContact O-N 3.34Å; D189-R193 WeakPolarHBondContact O-CB 3.4Å; D189-R193 PolarHBondContact O-N 2.98Å
190	E	78.4	Confident	73.2	Confident	85 Å²	85	119.2 Å²	119.2	40%	0.397	56%	0.563	S	S	.	*	H	α-helix	trans	-63.5	-39.2	172.3	-80	-65.9	129.8	0	0	111.8	Q186 R193 M194	Q186-E190 WeakPolarHBondContact O-CB 3.46Å; Q186-E190 WeakPolarHBondContact O-CG 3Å; Q186-E190 PolarHBondContact O-N 3.48Å; E190-R193 PolarHBondContact O-N 2.75Å; E190-R193 IonicContact OE1-CZ 3.36Å; E190-R193 IonicContact OE1-NE 3.86Å; E190-R193 PolarHBondContact OE1-NE 3.31Å; E190-R193 IonicContact OE1-NH2 3.61Å; E190-R193 PolarHBondContact OE1-NH2 2.82Å; E190-R193 IonicContact OE2-CZ 2.78Å; E190-R193 IonicContact OE2-NE 3.19Å; E190-R193 PolarHBondContact OE2-NE 2.93Å; E190-R193 IonicContact OE2-NH2 3.92Å; E190-R193 PolarHBondContact OE2-NH2 3.4Å; E190-M194 WeakPolarHBondContact O-CB 3.35Å; E190-M194 WeakPolarHBondContact O-CG 3.44Å; E190-M194 PolarHBondContact O-N 3.19Å
191	G	75.4	Confident	71.3	Confident	37 Å²	37	120.9 Å²	120.9	38%	0.381	58%	0.579	S	S	.	*	H	α-helix	trans	-63.4	-40.4	173.7	0	0	0	0	0	112.6	L187 K188 R195	L187-G191 PolarHBondContact O-N 3.45Å; K188-G191 PolarHBondContact O-N 3.43Å; G191-R195 WeakPolarHBondContact O-CB 3.18Å; G191-R195 PolarHBondContact O-N 3.41Å
192	V	70.4	Confident	68.7	Low	81 Å²	81	123.5 Å²	123.5	49%	0.491	59%	0.587	S	S	.	*	H	α-helix	trans	-67	-40.6	173.4	172.1	0	0	0	0	110.8	K188 D189 R195 K196	K188-V192 VanDerWaalsContact O-CG2 3.31Å; K188-V192 WeakPolarHBondContact O-CG2 3.34Å; K188-V192 PolarHBondContact O-N 3.22Å; D189-V192 PolarHBondContact O-N 3.34Å; V192-R195 PolarHBondContact O-N 3.33Å; V192-K196 WeakPolarHBondContact O-CB 3.39Å; V192-K196 PolarHBondContact O-N 2.64Å
193	R	73.6	Confident	66.4	Low	114 Å²	114	126.5 Å²	126.5	43%	0.43	60%	0.601	S	S	.	*	H	α-helix	trans	-65.4	-43	177.8	-167.9	176.2	74.2	85.3	3.1	112.2	D189 E190 K196 M197	D189-R193 WeakPolarHBondContact O-CB 3.4Å; D189-R193 PolarHBondContact O-N 2.98Å; E190-R193 PolarHBondContact O-N 2.75Å; E190-R193 IonicContact OE1-CZ 3.36Å; E190-R193 IonicContact OE1-NE 3.86Å; E190-R193 PolarHBondContact OE1-NE 3.31Å; E190-R193 IonicContact OE1-NH2 3.61Å; E190-R193 PolarHBondContact OE1-NH2 2.82Å; E190-R193 IonicContact OE2-CZ 2.78Å; E190-R193 IonicContact OE2-NE 3.19Å; E190-R193 PolarHBondContact OE2-NE 2.93Å; E190-R193 IonicContact OE2-NH2 3.92Å; E190-R193 PolarHBondContact OE2-NH2 3.4Å; R193-K196 CarbonylContact O-C 3.49Å; R193-K196 WeakPolarHBondContact O-CB 3.29Å; R193-K196 PolarHBondContact O-N 3.37Å; R193-M197 PolarHBondContact O-N 3.38Å
194	M	62.7	Low	64.3	Low	116 Å²	116	129.7 Å²	129.7	57%	0.571	62%	0.617	S	S	*	*	H	α-helix	trans	-61	-45.3	173.5	-84.4	-80.8	-81.5	0	0	111.4	E190 K196 M197 Q198	E190-M194 WeakPolarHBondContact O-CB 3.35Å; E190-M194 WeakPolarHBondContact O-CG 3.44Å; E190-M194 PolarHBondContact O-N 3.19Å; M194-K196 VanDerWaalsContact C-N 3.26Å; M194-K196 PolarHBondContact O-N 2.93Å; M194-M197 PolarHBondContact O-N 3.03Å; M194-Q198 PolarHBondContact O-N 3.29Å
195	R	68.8	Low	62.4	Low	185 Å²	185	131 Å²	131	70%	0.698	63%	0.63	S	S	*	*	H	α-helix	trans	-62.4	-34.3	175	-166.7	-177.3	-63.8	165.7	0.2	112.1	G191 V192 H199	G191-R195 WeakPolarHBondContact O-CB 3.18Å; G191-R195 PolarHBondContact O-N 3.41Å; V192-R195 PolarHBondContact O-N 3.33Å; R195-H199 PolarHBondContact O-N 3.01Å
196	K	61.4	Low	59.8	Low	167 Å²	167	129.1 Å²	129.1	73%	0.726	64%	0.638	S	S	*	*	H	α-helix	trans	-73.7	-33.2	175.8	-158.2	173	-174.5	179.8	0	112.6	V192 R193 M194 H199	V192-K196 WeakPolarHBondContact O-CB 3.39Å; V192-K196 PolarHBondContact O-N 2.64Å; R193-K196 CarbonylContact O-C 3.49Å; R193-K196 WeakPolarHBondContact O-CB 3.29Å; R193-K196 PolarHBondContact O-N 3.37Å; M194-K196 VanDerWaalsContact C-N 3.26Å; M194-K196 PolarHBondContact O-N 2.93Å; K196-H199 CarbonylContact O-C 3.59Å; K196-H199 PolarHBondContact O-N 3.11Å
197	M	56.4	Low	57.1	Low	127 Å²	127	131.3 Å²	131.3	63%	0.626	65%	0.654	S	S	*	*	H	α-helix	trans	-73.7	-30.4	172.6	-85.1	177.7	167.7	0	0	113	R193 M194 H199	R193-M197 PolarHBondContact O-N 3.38Å; M194-M197 PolarHBondContact O-N 3.03Å; M197-H199 PolarHBondContact O-N 3.43Å
198	Q	52.6	Low	54.7	Low	166 Å²	166	130.1 Å²	130.1	78%	0.776	66%	0.655	S	S	*	*	S	Bend	trans	-73.1	-9.8	171.1	-115.3	169.9	-14.3	0	0	113.5	M194	M194-Q198 PolarHBondContact O-N 3.29Å
199	H	46.3	Very low	52.5	Low	160 Å²	160	128.2 Å²	128.2	74%	0.741	66%	0.657	S	S	*	*			trans	-110.6	58.4	173	-113	54.1	0	0	0	110.4	R195 K196 M197 P201	R195-H199 PolarHBondContact O-N 3.01Å; K196-H199 CarbonylContact O-C 3.59Å; K196-H199 PolarHBondContact O-N 3.11Å; M197-H199 PolarHBondContact O-N 3.43Å; H199-P201 WeakPolarHBondContact O-CD 3.27Å
200	R	41.4	Very low	50.2	Low	192 Å²	192	130 Å²	130	73%	0.725	67%	0.667	S	S	*	*			trans	-89.9	112.1	155.2	-179	177.8	164.3	164.7	-0.9	107.3	D202	R200-D202 IonicContact CZ-OD1 3.55Å; R200-D202 IonicContact NE-OD1 3.03Å; R200-D202 PolarHBondContact NE-OD1 3.47Å; R200-D202 IonicContact NE-OD2 3.85Å; R200-D202 IonicContact NH2-OD1 3.62Å; R200-D202 PolarHBondContact O-N 3.12Å
201	P	46.5	Very low	48.1	Very low	118 Å²	118	132.8 Å²	132.8	77%	0.766	68%	0.683	S	S	*	*			trans	-83.2	97.9	175.5	31.6	-27.2	0	0	0	108.6	H199 H203	H199-P201 WeakPolarHBondContact O-CD 3.27Å; P201-H203 PolarHBondContact O-N 3.34Å
202	D	35.3	Very low	46.3	Very low	131 Å²	131	137.9 Å²	137.9	70%	0.701	71%	0.706	S	S	*	*			trans	-76.8	96.4	157.5	-73.2	-28.5	0	0	0	107.9	R200	R200-D202 IonicContact CZ-OD1 3.55Å; R200-D202 IonicContact NE-OD1 3.03Å; R200-D202 PolarHBondContact NE-OD1 3.47Å; R200-D202 IonicContact NE-OD2 3.85Å; R200-D202 IonicContact NH2-OD1 3.62Å; R200-D202 PolarHBondContact O-N 3.12Å
203	H	42	Very low	44.5	Very low	156 Å²	156	137.3 Å²	137.3	72%	0.722	72%	0.717	S	S	*	*			trans	17.7	121.6	149.1	-146.1	-112.5	0	0	0	122.1	P201	P201-H203 PolarHBondContact O-N 3.34Å
204	M	41	Very low	42.6	Very low	148 Å²	148	143.2 Å²	143.2	73%	0.729	74%	0.739	S	S	*	*				63.1	120.3	126.7	-158.7	106.2	106.6	0	0	122.6
205	T	34.3	Very low	41.3	Very low	133 Å²	133	145.5 Å²	145.5	82%	0.816	75%	0.748	S	S	*	*			trans	-157.2	134.1	139.8	48.7	0	0	0	0	107.3
206	S	34.9	Very low	39.7	Very low	103 Å²	103	142.4 Å²	142.4	72%	0.72	75%	0.75	S	S	*	*			cis	-158.8	139	38.8	-58.1	0	0	0	0	111.8
207	N	31.4	Very low	38.5	Very low	158 Å²	158	140 Å²	140	85%	0.845	76%	0.755	S	S	*	*				-171.8	146.3	109.8	-119.2	8	0	0	0	113.4
208	S	31.6	Very low	37.6	Very low	96 Å²	96	138.6 Å²	138.6	67%	0.671	76%	0.763	S	S	*	*			trans	95.9	104.5	156.4	-50	0	0	0	0	119.5
209	T	37.1	Very low	37.1	Very low	119 Å²	119	134.7 Å²	134.7	73%	0.73	76%	0.759	S	S	*	*			trans	51.2	112.2	133	61.3	0	0	0	0	120.2
210	N	32.3	Very low	37.3	Very low	138 Å²	138	136.5 Å²	136.5	74%	0.738	77%	0.765	S	S	*	*				160.9	137.9	111.6	-89.9	-55.5	0	0	0	113.8
211	I	35.4	Very low	37.7	Very low	143 Å²	143	135.3 Å²	135.3	73%	0.733	77%	0.772	S	S	*	*			trans	68.3	111.1	134.8	-67	171.1	0	0	0	120.6
212	V	37.1	Very low	38.2	Very low	145 Å²	145	133.7 Å²	133.7	88%	0.879	76%	0.762	S	S	*	*			trans	42.6	122.8	130.8	-172	0	0	0	0	119.6
213	G	33.1	Very low	39.8	Very low	69 Å²	69	131 Å²	131	71%	0.711	75%	0.753	S	S	*	*			trans	155.6	89	148.4	0	0	0	0	0	118.2
214	R	33.6	Very low	41.1	Very low	237 Å²	237	129.7 Å²	129.7	89%	0.894	75%	0.751	S	S	*	*				59.3	106.6	128.4	-166.2	166.7	170.8	163	-4	121
215	E	34.2	Very low	42.5	Very low	164 Å²	164	128.8 Å²	128.8	77%	0.766	75%	0.748	S	S	*	*				56.9	143.2	124	-61	-80.5	154	0	0	123.2
216	T	35.1	Very low	44.7	Very low	120 Å²	120	126.8 Å²	126.8	74%	0.736	74%	0.736	S	S	*	*			trans	96.4	105.2	153	68.3	0	0	0	0	120.9
217	S	38	Very low	46.9	Very low	118 Å²	118	125 Å²	125	83%	0.825	72%	0.721	S	S	*	*			trans	37.5	121.1	132.9	-67.7	0	0	0	0	120.7
218	A	35.7	Very low	49.3	Very low	97 Å²	97	120.8 Å²	120.8	80%	0.802	70%	0.697	S	S	*	*				172.9	138.7	92.6	0	0	0	0	0	113.1
219	A	42.9	Very low	51.7	Low	83 Å²	83	118.4 Å²	118.4	69%	0.686	68%	0.683	S	S	*	*			trans	68.4	99.5	150.2	0	0	0	0	0	119.9
220	F	50.8	Low	54	Low	199 Å²	199	115.7 Å²	115.7	87%	0.873	67%	0.673	S	S	*	*				81.9	76.3	84.9	-73.8	-64.5	0	0	0	114
221	L	50.2	Low	56.6	Low	166 Å²	166	114.6 Å²	114.6	87%	0.869	67%	0.666	S	S	*	*			trans	-133.8	114.4	136.8	-73.1	174.4	0	0	0	106.5	S223	L221-S223 PolarHBondContact O-N 2.93Å
222	P	57.3	Low	59	Low	84 Å²	84	113.8 Å²	113.8	55%	0.545	66%	0.657	S	S	.	*			trans	-64.2	111.5	171.5	25.3	-27.5	0	0	0	106.3	L224 V226 V227	P222-L224 PolarHBondContact O-N 3.44Å; P222-L224 VanDerWaalsContact O-N 3.16Å; P222-V226 HydrophobicContact CB-CB 4.39Å; P222-V227 HydrophobicContact CB-CG2 4.22Å; P222-V227 HydrophobicContact CG-CG2 4.12Å
223	S	67.4	Low	61.3	Low	75 Å²	75	111.8 Å²	111.8	52%	0.524	64%	0.64	S	S	.	*			trans	-43	128	168.6	175.3	0	0	0	0	107.1	L221 L225 V226	L221-S223 PolarHBondContact O-N 2.93Å; S223-L225 CarbonylContact O-C 3.47Å; S223-L225 PolarHBondContact O-N 2.84Å; S223-V226 PolarHBondContact O-N 3.49Å
224	L	70.2	Confident	63.7	Low	129 Å²	129	110.6 Å²	110.6	68%	0.675	63%	0.629	S	S	*	*	H	α-helix	trans	-41.6	-31.1	-175.4	-179.2	66	0	0	0	113	P222 V226 V227 I228	P222-L224 PolarHBondContact O-N 3.44Å; P222-L224 VanDerWaalsContact O-N 3.16Å; L224-V226 PolarHBondContact O-N 2.99Å; L224-V227 PolarHBondContact O-N 3.47Å; L224-I228 HydrophobicContact CD1-CD1 4.38Å; L224-I228 HydrophobicContact CD2-CD1 4.3Å; L224-I228 HydrophobicContact CG-CD1 3.77Å; L224-I228 HydrophobicContact CG-CG1 4.36Å; L224-I228 WeakPolarHBondContact O-CB 3.47Å; L224-I228 VanDerWaalsContact O-CG1 3.23Å; L224-I228 WeakPolarHBondContact O-CG1 3.43Å; L224-I228 PolarHBondContact O-N 3.2Å
225	L	70	Confident	66.1	Low	129 Å²	129	105.9 Å²	105.9	68%	0.675	62%	0.615	S	S	*	*	H	α-helix	trans	-52.4	-42	170.7	-90.3	163.2	0	0	0	115.4	S223 I228 A229	S223-L225 CarbonylContact O-C 3.47Å; S223-L225 PolarHBondContact O-N 2.84Å; L225-I228 PolarHBondContact O-N 3.46Å; L225-A229 VanDerWaalsContact O-CB 3.27Å; L225-A229 WeakPolarHBondContact O-CB 3.33Å; L225-A229 PolarHBondContact O-N 3.42Å
226	V	80.3	Confident	68.4	Low	91 Å²	91	104.4 Å²	104.4	55%	0.552	61%	0.606	S	S	*	*	H	α-helix	trans	-70.2	-39.8	-179.6	-179	0	0	0	0	110.7	P222 S223 L224 A229 A230	P222-V226 HydrophobicContact CB-CB 4.39Å; S223-V226 PolarHBondContact O-N 3.49Å; L224-V226 PolarHBondContact O-N 2.99Å; V226-A229 PolarHBondContact O-N 3.43Å; V226-A230 WeakPolarHBondContact O-CB 3.47Å; V226-A230 PolarHBondContact O-N 2.81Å
227	V	81.4	Confident	70.3	Confident	66 Å²	66	105.5 Å²	105.5	40%	0.4	60%	0.601	S	S	.	*	H	α-helix	trans	-65	-44.8	175	-179.7	0	0	0	0	110.1	P222 L224 A229 A230 I231	P222-V227 HydrophobicContact CB-CG2 4.22Å; P222-V227 HydrophobicContact CG-CG2 4.12Å; L224-V227 PolarHBondContact O-N 3.47Å; V227-A229 PolarHBondContact O-N 3.09Å; V227-A230 PolarHBondContact O-N 2.99Å; V227-I231 HydrophobicContact CG1-CD1 4.13Å; V227-I231 WeakPolarHBondContact O-CG1 3.22Å; V227-I231 PolarHBondContact O-N 3.02Å; V227-I231 VanDerWaalsContact O-N 3.09Å
228	I	81.6	Confident	71.8	Confident	69 Å²	69	102.1 Å²	102.1	35%	0.354	58%	0.584	S	S	.	*	H	α-helix	trans	-60.6	-46.3	175.9	-69.8	170.3	0	0	0	110.4	L224 L225 A230 I231 F232	L224-I228 HydrophobicContact CD1-CD1 4.38Å; L224-I228 HydrophobicContact CD2-CD1 4.3Å; L224-I228 HydrophobicContact CG-CD1 3.77Å; L224-I228 HydrophobicContact CG-CG1 4.36Å; L224-I228 WeakPolarHBondContact O-CB 3.47Å; L224-I228 VanDerWaalsContact O-CG1 3.23Å; L224-I228 WeakPolarHBondContact O-CG1 3.43Å; L224-I228 PolarHBondContact O-N 3.2Å; L225-I228 PolarHBondContact O-N 3.46Å; I228-A230 PolarHBondContact O-N 2.79Å; I228-I231 PolarHBondContact O-N 2.66Å; I228-F232 HydrophobicContact CG2-CD2 3.66Å; I228-F232 HydrophobicContact CG2-CE2 3.53Å; I228-F232 WeakPolarHBondContact O-CD2 3.43Å; I228-F232 PolarHBondContact O-N 2.93Å
229	A	82.8	Confident	73.3	Confident	45 Å²	45	104.8 Å²	104.8	37%	0.372	58%	0.578	S	S	.	*	H	α-helix	trans	-61.6	-41.5	178.6	0	0	0	0	0	112.4	L225 V226 V227 I231 F232 I233	L225-A229 VanDerWaalsContact O-CB 3.27Å; L225-A229 WeakPolarHBondContact O-CB 3.33Å; L225-A229 PolarHBondContact O-N 3.42Å; V226-A229 PolarHBondContact O-N 3.43Å; V227-A229 PolarHBondContact O-N 3.09Å; A229-I231 VanDerWaalsContact C-N 3.35Å; A229-I231 PolarHBondContact O-N 3.15Å; A229-F232 PolarHBondContact O-N 2.84Å; A229-I233 VanDerWaalsContact O-CG1 3.27Å; A229-I233 WeakPolarHBondContact O-CG1 3.35Å; A229-I233 PolarHBondContact O-N 2.76Å
230	A	84.8	Confident	74.2	Confident	63 Å²	63	109.2 Å²	109.2	52%	0.521	58%	0.582	S	S	.	*	H	α-helix	trans	-63.6	-38.9	177.1	0	0	0	0	0	112.5	V226 V227 I228 I233 G234	V226-A230 WeakPolarHBondContact O-CB 3.47Å; V226-A230 PolarHBondContact O-N 2.81Å; V227-A230 PolarHBondContact O-N 2.99Å; I228-A230 PolarHBondContact O-N 2.79Å; A230-I233 PolarHBondContact O-N 3.09Å; A230-G234 PolarHBondContact O-N 2.63Å
231	I	86.6	Confident	74.7	Confident	114 Å²	114	106.7 Å²	106.7	59%	0.585	58%	0.576	S	S	*	*	H	α-helix	trans	-64.5	-44.5	176	-67.1	166.1	0	0	0	110.7	V227 I228 A229 G234 F235	V227-I231 HydrophobicContact CG1-CD1 4.13Å; V227-I231 WeakPolarHBondContact O-CG1 3.22Å; V227-I231 PolarHBondContact O-N 3.02Å; V227-I231 VanDerWaalsContact O-N 3.09Å; I228-I231 PolarHBondContact O-N 2.66Å; A229-I231 VanDerWaalsContact C-N 3.35Å; A229-I231 PolarHBondContact O-N 3.15Å; I231-G234 PolarHBondContact O-N 3.4Å; I231-F235 WeakPolarHBondContact O-CB 3.18Å; I231-F235 PolarHBondContact O-N 3.39Å
232	F	86.5	Confident	74.7	Confident	127 Å²	127	109.2 Å²	109.2	56%	0.557	59%	0.589	S	S	*	*	H	α-helix	trans	-64.2	-41.9	178.1	-84	-70.2	0	0	0	112.5	I228 A229 F235 F236	I228-F232 HydrophobicContact CG2-CD2 3.66Å; I228-F232 HydrophobicContact CG2-CE2 3.53Å; I228-F232 WeakPolarHBondContact O-CD2 3.43Å; I228-F232 PolarHBondContact O-N 2.93Å; A229-F232 PolarHBondContact O-N 2.84Å; F232-F235 PolarHBondContact O-N 2.86Å; F232-F236 PolarHBondContact O-N 2.89Å
233	I	85.1	Confident	75.6	Confident	102 Å²	102	110.5 Å²	110.5	52%	0.523	59%	0.591	S	S	.	*	H	α-helix	trans	-64.7	-45.2	177.1	-67.8	165	0	0	0	110.4	A229 A230 F235 F236 F237	A229-I233 VanDerWaalsContact O-CG1 3.27Å; A229-I233 WeakPolarHBondContact O-CG1 3.35Å; A229-I233 PolarHBondContact O-N 2.76Å; A230-I233 PolarHBondContact O-N 3.09Å; I233-F235 VanDerWaalsContact C-N 3.34Å; I233-F235 PolarHBondContact O-N 3.47Å; I233-F236 PolarHBondContact O-N 2.94Å; I233-F237 HydrophobicContact CG2-CD2 3.97Å; I233-F237 HydrophobicContact CG2-CE2 4.26Å; I233-F237 WeakPolarHBondContact O-CD2 3.24Å; I233-F237 PolarHBondContact O-N 3.49Å
234	G	82.4	Confident	76	Confident	45 Å²	45	112.3 Å²	112.3	46%	0.464	60%	0.595	S	S	.	*	H	α-helix	trans	-61.9	-40.3	177.2	0	0	0	0	0	113	A230 I231 G238	A230-G234 PolarHBondContact O-N 2.63Å; I231-G234 PolarHBondContact O-N 3.4Å; G234-G238 PolarHBondContact O-N 3.01Å
235	F	83.9	Confident	76.3	Confident	137 Å²	137	111.4 Å²	111.4	60%	0.601	59%	0.59	S	S	*	*	H	α-helix	trans	-66.2	-41.1	176.8	-174.4	-98.6	0	0	0	112.3	I231 F232 I233 K239	I231-F235 WeakPolarHBondContact O-CB 3.18Å; I231-F235 PolarHBondContact O-N 3.39Å; F232-F235 PolarHBondContact O-N 2.86Å; I233-F235 VanDerWaalsContact C-N 3.34Å; I233-F235 PolarHBondContact O-N 3.47Å; F235-K239 HydrophobicContact CE1-CD 4.13Å; F235-K239 HydrophobicContact CZ-CD 4.3Å; F235-K239 WeakPolarHBondContact O-CB 3.31Å; F235-K239 PolarHBondContact O-N 3.2Å
236	F	82.4	Confident	76.7	Confident	134 Å²	134	110.4 Å²	110.4	59%	0.588	59%	0.585	S	S	*	*	H	α-helix	trans	-66	-43.5	178	-103.4	-88.2	0	0	0	112.5	F232 I233 F240	F232-F236 PolarHBondContact O-N 2.89Å; I233-F236 PolarHBondContact O-N 2.94Å; F236-F240 PolarHBondContact O-N 2.64Å
237	F	75.9	Confident	76.5	Confident	143 Å²	143	111.6 Å²	111.6	63%	0.627	59%	0.587	S	S	*	*	H	α-helix	trans	-73	-37.1	178.6	-87.9	-87.1	0	0	0	112.7	I233 K239 F240 I241	I233-F237 HydrophobicContact CG2-CD2 3.97Å; I233-F237 HydrophobicContact CG2-CE2 4.26Å; I233-F237 WeakPolarHBondContact O-CD2 3.24Å; I233-F237 PolarHBondContact O-N 3.49Å; F237-K239 PolarHBondContact O-N 2.88Å; F237-F240 PolarHBondContact O-N 3.41Å; F237-I241 PolarHBondContact O-N 3.39Å
238	G	69.3	Low	76.2	Confident	46 Å²	46	114.6 Å²	114.6	47%	0.474	60%	0.6	S	S	.	*	H	α-helix	trans	-64.2	-29.8	176.2	0	0	0	0	0	113.4	G234	G234-G238 PolarHBondContact O-N 3.01Å
239	K	68.4	Low	75.8	Confident	154 Å²	154	117.9 Å²	117.9	67%	0.67	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-11	178.6	-167.1	169.3	160.1	57.8	0	113.8	F235 F237	F235-K239 HydrophobicContact CE1-CD 4.13Å; F235-K239 HydrophobicContact CZ-CD 4.3Å; F235-K239 WeakPolarHBondContact O-CB 3.31Å; F235-K239 PolarHBondContact O-N 3.2Å; F237-K239 PolarHBondContact O-N 2.88Å
240	F	61.5	Low	75.2	Confident	175 Å²	175	123.5 Å²	123.5	77%	0.768	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	-13.8	178.2	-108.7	-86.5	0	0	0	113.8	F236 F237	F236-F240 PolarHBondContact O-N 2.64Å; F237-F240 PolarHBondContact O-N 3.41Å
241	I	61.3	Low	74.4	Confident	146 Å²	146	128.5 Å²	128.5	75%	0.749	65%	0.646	S	S	*	*			trans	-103.4	-3.8	-178.5	-121.4	84.4	0	0	0	113.7	F237	F237-I241 PolarHBondContact O-N 3.39Å
242	L	50.1	Low	73.3	Confident	219 Å²	219	129.8 Å²	129.8	100%	1.147	65%	0.651	S	S	*	*			trans	-118	0	175.3	-161.2	80.2	0	0	0	111.7

Retrieved 242 of 242 residues in 200.4 ms (Link to these results)

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